A0A077Z993_TRITR Loading...

Helicase C 2 and DEAD 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z993, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 687 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.4Very low62.5Low183 Ų183124.2 Ų124.290%0.90161%0.612SS**  0-88.90-113.8170.8-178.600113.4N3 E4 I5M1-N3 PolarHBondContact O-N 2.83Å; M1-E4 WeakPolarHBondContact O-CA 3.19Å; M1-E4 VanDerWaalsContact O-CB 3.24Å; M1-E4 WeakPolarHBondContact O-CB 3.23Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-I5 HydrophobicContact CG-CD1 4.4Å; M1-I5 PolarHBondContact O-N 2.65Å; M1-I5 VanDerWaalsContact O-N 3.14Å
2C49.7Very low63.1Low95 Ų95122.1 Ų122.164%0.64260%0.597SS**Hα-helixtrans-54-47.6-169.9-58.90000114.8E4 I5 C6C2-E4 PolarHBondContact O-N 3.01Å; C2-I5 PolarHBondContact O-N 2.99Å; C2-C6 PolarHBondContact O-N 3.23Å; C2-C6 VanDerWaalsContact O-N 3.13Å; C2-C6 PolarHBondContact O-SG 3.43Å; C2-C6 VanDerWaalsContact O-SG 3.33Å
3N52.4Low63.9Low143 Ų143122.5 Ų122.577%0.76559%0.594SS**Hα-helixtrans-61.9-10.1178-70.5-1.6000115.1M1 R7M1-N3 PolarHBondContact O-N 2.83Å; N3-R7 WeakPolarHBondContact O-CG 3.3Å
4E55Low64.9Low139 Ų139118.1 Ų118.165%0.6557%0.571SS**Hα-helixtrans-105.2-37-176.3-151.2159.8-15500110.7M1 C2 R7M1-E4 WeakPolarHBondContact O-CA 3.19Å; M1-E4 VanDerWaalsContact O-CB 3.24Å; M1-E4 WeakPolarHBondContact O-CB 3.23Å; M1-E4 PolarHBondContact O-N 3.43Å; C2-E4 PolarHBondContact O-N 3.01Å; E4-R7 PolarHBondContact O-N 2.89Å
5I57.7Low65.7Low70 Ų70114.7 Ų114.736%0.35957%0.57SS.*Hα-helixtrans-62-49.3171.6-65.8170000110.3M1 C2 R7 R8 F9M1-I5 HydrophobicContact CG-CD1 4.4Å; M1-I5 PolarHBondContact O-N 2.65Å; M1-I5 VanDerWaalsContact O-N 3.14Å; C2-I5 PolarHBondContact O-N 2.99Å; I5-R7 PolarHBondContact O-N 2.83Å; I5-R8 PolarHBondContact O-N 3.34Å; I5-R8 VanDerWaalsContact O-N 3.08Å; I5-F9 HydrophobicContact CG2-CD2 4.44Å; I5-F9 HydrophobicContact CG2-CE1 4.44Å; I5-F9 HydrophobicContact CG2-CE2 3.55Å; I5-F9 HydrophobicContact CG2-CZ 3.57Å
6C58.7Low66.1Low75 Ų75113.9 Ų113.951%0.50756%0.558SS.*THydrogen-bonded Turntrans-62.6-10.2-179.1-62.20000114.7C2C2-C6 PolarHBondContact O-N 3.23Å; C2-C6 VanDerWaalsContact O-N 3.13Å; C2-C6 PolarHBondContact O-SG 3.43Å; C2-C6 VanDerWaalsContact O-SG 3.33Å
7R62.9Low66.7Low215 Ų215113.5 Ų113.581%0.81156%0.555SS**THydrogen-bonded Turntrans-86-13.7176.6-69.9178.4174.8-172.1-3.5114N3 E4 I5N3-R7 WeakPolarHBondContact O-CG 3.3Å; E4-R7 PolarHBondContact O-N 2.89Å; I5-R7 PolarHBondContact O-N 2.83Å
8R71.3Confident67.6Low227 Ų227112.1 Ų112.186%0.85755%0.545SS*.THydrogen-bonded Turntrans-111.7-27.5-177.7-71.2-173.4175.1-179.6-0.5114I5I5-R8 PolarHBondContact O-N 3.34Å; I5-R8 VanDerWaalsContact O-N 3.08Å
9F77.1Confident68Low94 Ų94107.3 Ų107.341%0.41252%0.521SS..SBendtrans-156.1158.2174.551.2-98.9000110.6I5 P11 K14I5-F9 HydrophobicContact CG2-CD2 4.44Å; I5-F9 HydrophobicContact CG2-CE1 4.44Å; I5-F9 HydrophobicContact CG2-CE2 3.55Å; I5-F9 HydrophobicContact CG2-CZ 3.57Å; F9-P11 WeakPolarHBondContact O-CD 3.47Å; F9-K14 HydrophobicContact CD2-CB 3.5Å; F9-K14 VanDerWaalsContact CD2-CB 3.5Å; F9-K14 HydrophobicContact CD2-CD 4.19Å; F9-K14 HydrophobicContact CD2-CG 3.81Å; F9-K14 HydrophobicContact CE2-CB 3.68Å; F9-K14 HydrophobicContact CE2-CD 4.3Å; F9-K14 HydrophobicContact CE2-CG 3.64Å; F9-K14 HydrophobicContact CG-CB 4.32Å; F9-K14 HydrophobicContact CG-CD 4.32Å; F9-K14 HydrophobicContact CG-CG 4.43Å; F9-K14 HydrophobicContact CZ-CG 4.12Å
10C78Confident68.3Low64 Ų64108.6 Ų108.643%0.43253%0.527SS..  trans-73.4120.4169.3179.20000109.5F12 F13 K14C10-F12 PolarHBondContact O-N 3.08Å; C10-F13 HydrophobicContact CB-CB 4.4Å; C10-F13 HydrophobicContact CB-CD2 3.84Å; C10-F13 PolarHBondContact O-N 2.87Å; C10-K14 PolarHBondContact O-N 3.38Å
11P76Confident69Low61 Ų61109.6 Ų109.640%0.39653%0.531SS..Hα-helixtrans-58.5-35.2-177.5-26.335.3000113.5F9 K14 A15F9-P11 WeakPolarHBondContact O-CD 3.47Å; P11-K14 PolarHBondContact O-N 3.45Å; P11-A15 WeakPolarHBondContact O-CB 3.45Å; P11-A15 PolarHBondContact O-N 2.75Å
12F70.2Confident70.6Confident99 Ų99103.1 Ų103.143%0.43451%0.506SS..Hα-helixtrans-60.1-50.3176.4165.7-101.2000112.4C10 K14 A15 R16 L48C10-F12 PolarHBondContact O-N 3.08Å; F12-K14 VanDerWaalsContact C-N 3.34Å; F12-K14 PolarHBondContact O-N 3.24Å; F12-A15 PolarHBondContact O-N 2.96Å; F12-R16 PolarHBondContact O-N 3.2Å; F12-R16 VanDerWaalsContact O-N 3.07Å; F12-L48 HydrophobicContact CE2-CD2 3.47Å; F12-L48 VanDerWaalsContact CE2-CD2 3.47Å; F12-L48 HydrophobicContact CZ-CD2 3.49Å; F12-L48 VanDerWaalsContact CZ-CD2 3.49Å
13F73.5Confident72.4Confident127 Ų127107 Ų10756%0.55752%0.52SS*.Hα-helixtrans-67.7-35.2178-74.4-67.3000111.8C10 R16 E17C10-F13 HydrophobicContact CB-CB 4.4Å; C10-F13 HydrophobicContact CB-CD2 3.84Å; C10-F13 PolarHBondContact O-N 2.87Å; F13-R16 PolarHBondContact O-N 3.49Å; F13-E17 WeakPolarHBondContact O-CB 3.35Å; F13-E17 PolarHBondContact O-N 3.35Å
14K78.4Confident74.2Confident62 Ų62106.1 Ų106.127%0.2752%0.515SS..Hα-helixtrans-67.3-38.5176.1-165.375.1-144.7170.30112.8F9 C10 P11 F12 E17 K18F9-K14 HydrophobicContact CD2-CB 3.5Å; F9-K14 VanDerWaalsContact CD2-CB 3.5Å; F9-K14 HydrophobicContact CD2-CD 4.19Å; F9-K14 HydrophobicContact CD2-CG 3.81Å; F9-K14 HydrophobicContact CE2-CB 3.68Å; F9-K14 HydrophobicContact CE2-CD 4.3Å; F9-K14 HydrophobicContact CE2-CG 3.64Å; F9-K14 HydrophobicContact CG-CB 4.32Å; F9-K14 HydrophobicContact CG-CD 4.32Å; F9-K14 HydrophobicContact CG-CG 4.43Å; F9-K14 HydrophobicContact CZ-CG 4.12Å; C10-K14 PolarHBondContact O-N 3.38Å; P11-K14 PolarHBondContact O-N 3.45Å; F12-K14 VanDerWaalsContact C-N 3.34Å; F12-K14 PolarHBondContact O-N 3.24Å; K14-E17 WeakPolarHBondContact CD-OE2 3.43Å; K14-E17 VanDerWaalsContact CE-OE2 3.3Å; K14-E17 WeakPolarHBondContact CE-OE2 3.29Å; K14-E17 IonicContact NZ-OE1 3.32Å; K14-E17 PolarHBondContact NZ-OE1 3.45Å; K14-E17 IonicContact NZ-OE2 3.38Å; K14-E17 PolarHBondContact NZ-OE2 2.76Å; K14-E17 PolarHBondContact O-N 2.86Å; K14-K18 PolarHBondContact O-N 2.88Å
15A76.7Confident75.5Confident67 Ų67102.2 Ų102.255%0.55450%0.498SS*.Hα-helixtrans-63.4-44.6173.600000111P11 F12 E17 K18 Q19P11-A15 WeakPolarHBondContact O-CB 3.45Å; P11-A15 PolarHBondContact O-N 2.75Å; F12-A15 PolarHBondContact O-N 2.96Å; A15-E17 VanDerWaalsContact C-N 3.35Å; A15-E17 PolarHBondContact O-N 3.25Å; A15-K18 PolarHBondContact O-N 2.88Å; A15-Q19 WeakPolarHBondContact O-CB 3.28Å; A15-Q19 PolarHBondContact O-N 2.83Å
16R72Confident76.8Confident101 Ų101106 Ų10638%0.38152%0.518SS..Hα-helixtrans-63.1-36.8175.6-174.6177.5176.6-167.9-0.4113.1F12 F13 Q19F12-R16 PolarHBondContact O-N 3.2Å; F12-R16 VanDerWaalsContact O-N 3.07Å; F13-R16 PolarHBondContact O-N 3.49Å; R16-Q19 WeakPolarHBondContact O-CB 3.45Å
17E76.5Confident77.6Confident107 Ų107104.5 Ų104.550%0.550%0.504SS..Hα-helixtrans-66.8-46.6174.7-173.1-160.8141.800111.6F13 K14 A15 Q19F13-E17 WeakPolarHBondContact O-CB 3.35Å; F13-E17 PolarHBondContact O-N 3.35Å; K14-E17 WeakPolarHBondContact CD-OE2 3.43Å; K14-E17 VanDerWaalsContact CE-OE2 3.3Å; K14-E17 WeakPolarHBondContact CE-OE2 3.29Å; K14-E17 IonicContact NZ-OE1 3.32Å; K14-E17 PolarHBondContact NZ-OE1 3.45Å; K14-E17 IonicContact NZ-OE2 3.38Å; K14-E17 PolarHBondContact NZ-OE2 2.76Å; K14-E17 PolarHBondContact O-N 2.86Å; A15-E17 VanDerWaalsContact C-N 3.35Å; A15-E17 PolarHBondContact O-N 3.25Å; E17-Q19 PolarHBondContact O-N 3.25Å
18K81.8Confident78Confident88 Ų8897.5 Ų97.538%0.38349%0.487SS..Hα-helixtrans-77.1-5.6179.1-75.6-67.9178.3-167.90114.6K14 A15 E20 E21 A22K14-K18 PolarHBondContact O-N 2.88Å; A15-K18 PolarHBondContact O-N 2.88Å; K18-E20 PolarHBondContact O-N 2.84Å; K18-E21 HydrophobicContact CD-CB 4.49Å; K18-E21 WeakPolarHBondContact CD-OE2 3.43Å; K18-E21 IonicContact NZ-OE1 3.47Å; K18-E21 PolarHBondContact NZ-OE1 2.98Å; K18-E21 IonicContact NZ-OE2 3.87Å; K18-E21 PolarHBondContact NZ-OE2 3.5Å; K18-E21 PolarHBondContact O-N 3.35Å; K18-A22 PolarHBondContact O-N 3.28Å
19Q75.6Confident78.1Confident21 Ų2187.3 Ų87.310%0.09845%0.448CS..THydrogen-bonded Turntrans-63.2-19.4177.8-159-119-89.500113.6A15 R16 E17 I25 K50A15-Q19 WeakPolarHBondContact O-CB 3.28Å; A15-Q19 PolarHBondContact O-N 2.83Å; R16-Q19 WeakPolarHBondContact O-CB 3.45Å; E17-Q19 PolarHBondContact O-N 3.25Å; Q19-I25 HydrophobicContact CG-CD1 4.14Å; Q19-K50 PolarHBondContact NE2-O 3.01Å
20E74Confident77.6Confident134 Ų13486.6 Ų86.663%0.62645%0.449SS*.THydrogen-bonded Turntrans-89.1-7.7176.8-61.6-176.5179.900113K18 K50K18-E20 PolarHBondContact O-N 2.84Å; E20-K50 WeakPolarHBondContact OE1-CD 3.23Å; E20-K50 WeakPolarHBondContact OE1-CE 3.28Å; E20-K50 IonicContact OE1-NZ 2.75Å; E20-K50 PolarHBondContact OE1-NZ 3.4Å
21E82.5Confident77.1Confident130 Ų13088.7 Ų88.761%0.60745%0.448SS*.SBendtrans-113.22177.6-65.6177.1-144.100113.5K18K18-E21 HydrophobicContact CD-CB 4.49Å; K18-E21 WeakPolarHBondContact CD-OE2 3.43Å; K18-E21 IonicContact NZ-OE1 3.47Å; K18-E21 PolarHBondContact NZ-OE1 2.98Å; K18-E21 IonicContact NZ-OE2 3.87Å; K18-E21 PolarHBondContact NZ-OE2 3.5Å; K18-E21 PolarHBondContact O-N 3.35Å
22A83.6Confident76.9Confident46 Ų4686.6 Ų86.638%0.3843%0.434SS..  trans-96.7119.2-165.300000113.7K18 L24 I25K18-A22 PolarHBondContact O-N 3.28Å; A22-L24 PolarHBondContact O-N 2.72Å; A22-I25 HydrophobicContact CB-CG1 4.18Å
23D87Confident76.8Confident176 Ų17682 Ų8294%0.94141%0.414SS*.SBendtrans-65.3-24.8173.2-53.5-74.1000113.5
24L89.2Confident76.4Confident125 Ų12577.5 Ų77.565%0.65440%0.395SS*.  trans-135.2120.9-179.1177.862.1000110.4A22 L26A22-L24 PolarHBondContact O-N 2.72Å; L24-L26 HydrophobicContact CD1-CD2 4.1Å; L24-L26 HydrophobicContact CD2-CD2 4.23Å; L24-L26 HydrophobicContact CG-CD2 4.11Å; L24-L26 HydrophobicContact CG-CG 4.43Å
25I83.1Confident75.2Confident57 Ų5774.7 Ų74.729%0.29238%0.383SS..  trans-116106.1178.8-50.9174.8000108.9Q19 A22 M27 V51Q19-I25 HydrophobicContact CG-CD1 4.14Å; A22-I25 HydrophobicContact CB-CG1 4.18Å; I25-M27 HydrophobicContact CB-CE 4.13Å; I25-M27 HydrophobicContact CG2-CE 3.71Å; I25-V51 HydrophobicContact CD1-CG2 4.17Å; I25-V51 HydrophobicContact CG2-CG2 4.41Å
26L83.9Confident74.2Confident151 Ų15172 Ų7279%0.79136%0.361SS*.  trans-83.9122.9175.2-57.7179000110L24L24-L26 HydrophobicContact CD1-CD2 4.1Å; L24-L26 HydrophobicContact CD2-CD2 4.23Å; L24-L26 HydrophobicContact CG-CD2 4.11Å; L24-L26 HydrophobicContact CG-CG 4.43Å
27M75.4Confident73Confident42 Ų4269.2 Ų69.221%0.20736%0.356CS..  trans-147.3152.3176.277.1-163.288.400112.5I25 L32 V51I25-M27 HydrophobicContact CB-CE 4.13Å; I25-M27 HydrophobicContact CG2-CE 3.71Å; M27-L32 HydrophobicContact CE-CD2 4.14Å; M27-L32 HydrophobicContact CG-CD1 4.4Å; M27-L32 HydrophobicContact CG-CG 4.18Å; M27-L32 HydrophobicContact SD-CD1 4.49Å; M27-L32 HydrophobicContact SD-CD2 3.68Å; M27-L32 HydrophobicContact SD-CG 3.87Å; M27-V51 HydrophobicContact CE-CG1 4.17Å; M27-V51 HydrophobicContact CE-CG2 4.04Å; M27-V51 HydrophobicContact SD-CG2 4.48Å
28P71.7Confident71.4Confident69 Ų6964.8 Ų64.845%0.44834%0.338SS..  trans-66.3149.9173.3-20.433.3000113.2N30 Y31P28-N30 VanDerWaalsContact C-N 3.29Å; P28-N30 WeakPolarHBondContact CB-OD1 3.18Å; P28-N30 PolarHBondContact O-N 3.25Å; P28-N30 VanDerWaalsContact O-N 3.14Å; P28-Y31 HydrophobicContact CB-CD2 4.11Å; P28-Y31 HydrophobicContact CB-CE2 4.35Å; P28-Y31 HydrophobicContact CG-CD2 4.22Å; P28-Y31 HydrophobicContact CG-CE2 4.13Å; P28-Y31 WeakPolarHBondContact O-CD2 3.41Å; P28-Y31 PolarHBondContact O-N 2.92Å
29Y72.9Confident69.5Low12 Ų1262.6 Ų62.65%0.04733%0.33CS..G310 helixtrans-56.8-32.4-172.1-64.9-41.7000116.1Y31 L32 L33 F60 D61 L66 I79Y29-Y31 PolarHBondContact O-N 3.35Å; Y29-Y31 VanDerWaalsContact O-N 3.15Å; Y29-L32 PolarHBondContact O-N 2.82Å; Y29-L33 WeakPolarHBondContact O-CB 3.41Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 2.89Å; Y29-F60 AromaticContact CD1-CD1 3.56Å; Y29-F60 HydrophobicContact CD1-CD1 3.56Å; Y29-F60 AromaticContact CD1-CE1 3.87Å; Y29-F60 HydrophobicContact CD1-CE1 3.87Å; Y29-F60 HydrophobicContact CE1-CB 4.04Å; Y29-F60 AromaticContact CE1-CD1 3.35Å; Y29-F60 HydrophobicContact CE1-CD1 3.35Å; Y29-F60 HydrophobicContact CE1-CE1 4.12Å; Y29-F60 HydrophobicContact CE1-CG 4.02Å; Y29-F60 HydrophobicContact CG-CD1 4.37Å; Y29-F60 AromaticContact CZ-CD1 3.98Å; Y29-F60 WeakPolarHBondContact OH-CA 3.3Å; Y29-D61 PolarHBondContact OH-N 3.44Å; Y29-D61 PolarHBondContact OH-O 2.7Å; Y29-L66 HydrophobicContact CD2-CB 4.1Å; Y29-L66 HydrophobicContact CD2-CD1 4.13Å; Y29-L66 HydrophobicContact CE2-CB 4.29Å; Y29-L66 HydrophobicContact CE2-CD1 3.9Å; Y29-I79 HydrophobicContact CD2-CD1 3.51Å; Y29-I79 HydrophobicContact CE2-CD1 4.32Å; Y29-I79 HydrophobicContact CG-CD1 4.18Å
30N67.1Low67.8Low80 Ų8062.2 Ų62.243%0.42833%0.329SS..G310 helixtrans-66.1-14.2179.368.9-52.3000113.8P28P28-N30 VanDerWaalsContact C-N 3.29Å; P28-N30 WeakPolarHBondContact CB-OD1 3.18Å; P28-N30 PolarHBondContact O-N 3.25Å; P28-N30 VanDerWaalsContact O-N 3.14Å
31Y68.5Low65.9Low108 Ų10859.8 Ų59.842%0.42433%0.326SS..G310 helixtrans-82.4-16.2171.6-69.4-92.6000113.6P28 Y29P28-Y31 HydrophobicContact CB-CD2 4.11Å; P28-Y31 HydrophobicContact CB-CE2 4.35Å; P28-Y31 HydrophobicContact CG-CD2 4.22Å; P28-Y31 HydrophobicContact CG-CE2 4.13Å; P28-Y31 WeakPolarHBondContact O-CD2 3.41Å; P28-Y31 PolarHBondContact O-N 2.92Å; Y29-Y31 PolarHBondContact O-N 3.35Å; Y29-Y31 VanDerWaalsContact O-N 3.15Å
32L71.5Confident63.6Low17 Ų1756 Ų569%0.08931%0.312CS..THydrogen-bonded Turntrans-103.1-36.9176.8-65.4173.8000111.9M27 Y29 L53 L58 L305M27-L32 HydrophobicContact CE-CD2 4.14Å; M27-L32 HydrophobicContact CG-CD1 4.4Å; M27-L32 HydrophobicContact CG-CG 4.18Å; M27-L32 HydrophobicContact SD-CD1 4.49Å; M27-L32 HydrophobicContact SD-CD2 3.68Å; M27-L32 HydrophobicContact SD-CG 3.87Å; Y29-L32 PolarHBondContact O-N 2.82Å; L32-L53 HydrophobicContact CD2-CD2 3.7Å; L32-L58 HydrophobicContact CD1-CD2 4.29Å; L32-L58 HydrophobicContact CD2-CD2 4.11Å; L32-L305 HydrophobicContact CB-CD1 4.46Å; L32-L305 WeakPolarHBondContact O-CD1 3.15Å
33L68.7Low61.3Low3 Ų355.1 Ų55.12%0.01630%0.3CS..SBendtrans-91-4.6-169.7-64.1178.7000114.8Y29 P35 F60 I79 A83 M302 L305Y29-L33 WeakPolarHBondContact O-CB 3.41Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 2.89Å; L33-P35 WeakPolarHBondContact O-CD 3.3Å; L33-F60 HydrophobicContact CD1-CE1 4.11Å; L33-F60 HydrophobicContact CD2-CE1 3.88Å; L33-F60 HydrophobicContact CD2-CZ 3.89Å; L33-F60 HydrophobicContact CG-CE1 4.1Å; L33-I79 HydrophobicContact CD1-CB 4.03Å; L33-I79 HydrophobicContact CD1-CG2 3.8Å; L33-A83 HydrophobicContact CB-CB 4.34Å; L33-A83 VanDerWaalsContact O-CB 3.27Å; L33-A83 WeakPolarHBondContact O-CB 3.36Å; L33-M302 HydrophobicContact CD2-SD 3.96Å; L33-L305 HydrophobicContact CD2-CD2 4.33Å
34D63.7Low58.9Low31 Ų3149.8 Ų49.817%0.16627%0.269CS..  trans-73.2105.5177.3-169.8-23.1000110.9T36 S37 A38 R243D34-T36 PolarHBondContact O-N 3.12Å; D34-T36 VanDerWaalsContact O-N 3.08Å; D34-T36 WeakPolarHBondContact OD1-CB 3.22Å; D34-T36 PolarHBondContact OD1-N 3.41Å; D34-T36 PolarHBondContact OD1-OG1 3.4Å; D34-S37 PolarHBondContact O-N 2.77Å; D34-S37 PolarHBondContact O-OG 3.1Å; D34-A38 PolarHBondContact O-N 2.97Å; D34-R243 IonicContact OD1-NH2 3.74Å; D34-R243 PolarHBondContact OD1-NH2 2.68Å; D34-R243 IonicContact OD2-CZ 3.34Å; D34-R243 VanDerWaalsContact OD2-CZ 3.31Å; D34-R243 IonicContact OD2-NE 2.94Å; D34-R243 IonicContact OD2-NH1 3.19Å; D34-R243 IonicContact OD2-NH2 2.71Å; D34-R243 PolarHBondContact OD2-NH2 3.16Å
35P54.6Low56.3Low3 Ų348.5 Ų48.52%0.01927%0.267CS..Hα-helixtrans-62.6-22.4-177.129.5-35.3000112L33 S37 A38 L39 A83 A84 Y300L33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-S37 PolarHBondContact O-N 3.16Å; P35-A38 WeakPolarHBondContact O-CB 3.43Å; P35-A38 PolarHBondContact O-N 3.31Å; P35-A38 VanDerWaalsContact O-N 3.17Å; P35-L39 HydrophobicContact CB-CD1 4.49Å; P35-L39 WeakPolarHBondContact O-CB 3.45Å; P35-L39 PolarHBondContact O-N 2.85Å; P35-A83 VanDerWaalsContact CD-O 3.26Å; P35-A83 WeakPolarHBondContact CD-O 3.34Å; P35-A84 HydrophobicContact CG-CB 4.26Å; P35-Y300 HydrophobicContact CB-CD1 4.46Å; P35-Y300 HydrophobicContact CB-CE1 3.73Å; P35-Y300 HydrophobicContact CG-CE1 3.89Å
36T54Low54.1Low12 Ų1252.8 Ų52.87%0.07428%0.279CS..Hα-helixtrans-61.2-33.9174.1-29.30000112.2D34 N40 R243 N246D34-T36 PolarHBondContact O-N 3.12Å; D34-T36 VanDerWaalsContact O-N 3.08Å; D34-T36 WeakPolarHBondContact OD1-CB 3.22Å; D34-T36 PolarHBondContact OD1-N 3.41Å; D34-T36 PolarHBondContact OD1-OG1 3.4Å; T36-N40 PolarHBondContact O-ND2 2.61Å; T36-R243 HydrophobicContact CG2-CG 4.07Å; T36-R243 PolarHBondContact OG1-NE 3.15Å; T36-N246 HydrophobicContact CG2-CB 3.81Å
37S47.1Very low52.1Low41 Ų4151.8 Ų51.829%0.28727%0.265SS..Hα-helixtrans-82.9-21.6177.1700000113.8D34 P35 Q44D34-S37 PolarHBondContact O-N 2.77Å; D34-S37 PolarHBondContact O-OG 3.1Å; P35-S37 PolarHBondContact O-N 3.16Å; S37-Q44 PolarHBondContact O-NE2 2.98Å; S37-Q44 VanDerWaalsContact O-NE2 3.16Å
38A42.4Very low50.7Low14 Ų1453.6 Ų53.612%0.11628%0.275CS..Hα-helixtrans-80.6-43176.300000111.1D34 P35 N40 H308D34-A38 PolarHBondContact O-N 2.97Å; P35-A38 WeakPolarHBondContact O-CB 3.43Å; P35-A38 PolarHBondContact O-N 3.31Å; P35-A38 VanDerWaalsContact O-N 3.17Å; A38-N40 PolarHBondContact O-N 2.71Å; A38-H308 VanDerWaalsContact CA-CE1 3.43Å; A38-H308 WeakPolarHBondContact CA-CE1 3.4Å; A38-H308 VanDerWaalsContact CB-CE1 3.46Å; A38-H308 WeakPolarHBondContact CB-CE1 3.32Å; A38-H308 PolarHBondContact O-CE1 3.13Å; A38-H308 PolarHBondContact O-NE2 3.33Å; A38-H308 VanDerWaalsContact O-NE2 3.07Å
39L42.5Very low49.7Very low43 Ų4353 Ų5323%0.22527%0.268CS..Hα-helixtrans-75.2-19.9-174.3-87.4151.4000115.1P35 G250 L253 A254P35-L39 HydrophobicContact CB-CD1 4.49Å; P35-L39 WeakPolarHBondContact O-CB 3.45Å; P35-L39 PolarHBondContact O-N 2.85Å; L39-G250 VanDerWaalsContact CD2-O 3.23Å; L39-G250 WeakPolarHBondContact CD2-O 3.39Å; L39-L253 HydrophobicContact CD2-CB 3.9Å; L39-A254 HydrophobicContact CD2-CB 4.36Å
40N40.6Very low48.8Very low12 Ų1257.5 Ų57.56%0.06429%0.288CS..  trans-124.1104-175.3-66.3-65.5000112.6T36 A38 V42 F43 Q44 N246T36-N40 PolarHBondContact O-ND2 2.61Å; A38-N40 PolarHBondContact O-N 2.71Å; N40-V42 PolarHBondContact O-N 3.4Å; N40-V42 VanDerWaalsContact O-N 3.13Å; N40-F43 HydrophobicContact CB-CB 4.16Å; N40-F43 HydrophobicContact CB-CD2 3.49Å; N40-F43 VanDerWaalsContact CB-CD2 3.49Å; N40-F43 HydrophobicContact CB-CE2 4.34Å; N40-F43 HydrophobicContact CB-CG 4.27Å; N40-F43 PolarHBondContact O-N 3.48Å; N40-Q44 PolarHBondContact O-N 3Å; N40-Q44 VanDerWaalsContact O-N 3.11Å; N40-N246 PolarHBondContact ND2-OD1 2.91Å
41S34.8Very low48.7Very low83 Ų8354.7 Ų54.758%0.5827%0.273SS*.Hα-helixtrans-54.3-28.3169.455.30000113.3Q44 T45S41-Q44 PolarHBondContact O-N 3.23Å; S41-T45 PolarHBondContact O-N 3.2Å; S41-T45 PolarHBondContact O-OG1 2.97Å
42V32.7Very low48.7Very low51 Ų5153.2 Ų53.231%0.30928%0.277SS..Hα-helixtrans-71-32.8176.3-174.10000112.7N40 T45N40-V42 PolarHBondContact O-N 3.4Å; N40-V42 VanDerWaalsContact O-N 3.13Å; V42-T45 PolarHBondContact O-OG1 3.05Å
43F35Very low48.8Very low27 Ų2753 Ų5312%0.11828%0.276CS..Hα-helixtrans-78.5-36.7172.1-80.2-95.6000111.4N40 T45 R46 R47N40-F43 HydrophobicContact CB-CB 4.16Å; N40-F43 HydrophobicContact CB-CD2 3.49Å; N40-F43 VanDerWaalsContact CB-CD2 3.49Å; N40-F43 HydrophobicContact CB-CE2 4.34Å; N40-F43 HydrophobicContact CB-CG 4.27Å; N40-F43 PolarHBondContact O-N 3.48Å; F43-T45 PolarHBondContact O-N 3.4Å; F43-T45 VanDerWaalsContact O-N 3.12Å; F43-R46 PolarHBondContact O-N 3.4Å; F43-R47 PolarHBondContact O-N 3.01Å
44Q36.8Very low49.4Very low65 Ų6562.6 Ų62.630%0.30431%0.312SS..Hα-helixtrans-59.2-20.7177.1-154.2168.999.500112.8S37 N40 S41 H308S37-Q44 PolarHBondContact O-NE2 2.98Å; S37-Q44 VanDerWaalsContact O-NE2 3.16Å; N40-Q44 PolarHBondContact O-N 3Å; N40-Q44 VanDerWaalsContact O-N 3.11Å; S41-Q44 PolarHBondContact O-N 3.23Å; Q44-H308 PolarHBondContact NE2-NE2 3.09Å
45T35.1Very low50.4Low98 Ų9863.3 Ų63.360%0.60133%0.327SS*.THydrogen-bonded Turntrans-90.3-15.4173.928.20000115S41 V42 F43S41-T45 PolarHBondContact O-N 3.2Å; S41-T45 PolarHBondContact O-OG1 2.97Å; V42-T45 PolarHBondContact O-OG1 3.05Å; F43-T45 PolarHBondContact O-N 3.4Å; F43-T45 VanDerWaalsContact O-N 3.12Å
46R36.3Very low51.9Low146 Ų14666.7 Ų66.755%0.55135%0.345SS*.THydrogen-bonded Turntrans-119.7-33.1-170.3-69.6-176175.1176.4-0.1115.7F43 L48F43-R46 PolarHBondContact O-N 3.4Å; R46-L48 PolarHBondContact O-N 3.31Å
47R43.3Very low53.6Low131 Ų13170.8 Ų70.849%0.49437%0.365SS..SBendtrans-95.299.5-176-70.9-167.5178.4-149.6-7.5113.9F43 N49F43-R47 PolarHBondContact O-N 3.01Å; R47-N49 PolarHBondContact O-N 3.37Å
48L45.2Very low55.5Low80 Ų8069.4 Ų69.442%0.41936%0.355SS..SBendtrans65.7-59.6159.7-85.4138.5000118.4F12 R46F12-L48 HydrophobicContact CE2-CD2 3.47Å; F12-L48 VanDerWaalsContact CE2-CD2 3.47Å; F12-L48 HydrophobicContact CZ-CD2 3.49Å; F12-L48 VanDerWaalsContact CZ-CD2 3.49Å; R46-L48 PolarHBondContact O-N 3.31Å
49N50.7Low57.7Low55 Ų5573.3 Ų73.329%0.29437%0.372SS..  trans-120.9112.1-172.4-70.2-10.5000110.9R47 V51R47-N49 PolarHBondContact O-N 3.37Å; N49-V51 HydrophobicContact CB-CG2 4.11Å; N49-V51 PolarHBondContact O-N 3Å
50K54.7Low59.7Low108 Ų10871.3 Ų71.347%0.4736%0.362SS..  trans-80.562.6174.4-70.3-177.5-178.4177.20109.8Q19 E20 P52Q19-K50 PolarHBondContact NE2-O 3.01Å; E20-K50 WeakPolarHBondContact OE1-CD 3.23Å; E20-K50 WeakPolarHBondContact OE1-CE 3.28Å; E20-K50 IonicContact OE1-NZ 2.75Å; E20-K50 PolarHBondContact OE1-NZ 3.4Å; K50-P52 WeakPolarHBondContact O-CD 3.2Å
51V64Low61.8Low20 Ų2075.5 Ų75.512%0.12138%0.384CS..  trans-94.7105.1-178.3178.40000109.4I25 M27 N49 L53I25-V51 HydrophobicContact CD1-CG2 4.17Å; I25-V51 HydrophobicContact CG2-CG2 4.41Å; M27-V51 HydrophobicContact CE-CG1 4.17Å; M27-V51 HydrophobicContact CE-CG2 4.04Å; M27-V51 HydrophobicContact SD-CG2 4.48Å; N49-V51 HydrophobicContact CB-CG2 4.11Å; N49-V51 PolarHBondContact O-N 3Å; V51-L53 HydrophobicContact CG1-CD2 4.32Å; V51-L53 PolarHBondContact O-N 2.89Å
52P68.5Low63.7Low77 Ų7774.6 Ų74.650%0.537%0.371SS..  trans-67.3119171.628.2-33.1000108.9K50 N56K50-P52 WeakPolarHBondContact O-CD 3.2Å; P52-N56 PolarHBondContact O-ND2 2.94Å
53L74.8Confident65.5Low14 Ų1472.1 Ų72.17%0.07336%0.356CS..  trans-77.4-26.5177.1-62.2179.7000112.2L32 V51 G55 N56 L58 L305 H308 V310L32-L53 HydrophobicContact CD2-CD2 3.7Å; V51-L53 HydrophobicContact CG1-CD2 4.32Å; V51-L53 PolarHBondContact O-N 2.89Å; L53-G55 PolarHBondContact O-N 2.87Å; L53-N56 PolarHBondContact O-N 2.98Å; L53-L58 HydrophobicContact CD2-CD1 4.41Å; L53-L58 HydrophobicContact CD2-CD2 4.18Å; L53-L305 HydrophobicContact CD1-CD1 4.01Å; L53-H308 HydrophobicContact CB-CB 3.83Å; L53-H308 HydrophobicContact CD1-CB 4.34Å; L53-V310 HydrophobicContact CB-CG2 4.11Å; L53-V310 WeakPolarHBondContact O-CA 3.47Å
54R81.3Confident66.9Low204 Ų20471.2 Ų71.277%0.7735%0.352SS*.THydrogen-bonded Turntrans-66.3124.5-176.8-174.7171.4172.4162.5-4.5111.9N56 H308 G309R54-N56 PolarHBondContact O-N 2.93Å; R54-H308 WeakPolarHBondContact CA-O 3.27Å; R54-H308 VanDerWaalsContact CB-O 3.23Å; R54-H308 WeakPolarHBondContact CB-O 3.42Å; R54-H308 WeakPolarHBondContact CG-O 3.35Å; R54-G309 WeakPolarHBondContact CA-O 3.28Å
55G83.7Confident67.6Low46 Ų4668.6 Ų68.647%0.47434%0.34SS..THydrogen-bonded Turntrans80-6.7178.200000115.2L53 G309 H311L53-G55 PolarHBondContact O-N 2.87Å; G55-G309 PolarHBondContact N-O 2.72Å; G55-H311 WeakPolarHBondContact O-CB 3.16Å
56N86.1Confident68.1Low74 Ų7468 Ų6840%0.39633%0.333SS..  trans-91.2161.2179.2-80-33.1000112.5P52 L53 R54 V310 H311P52-N56 PolarHBondContact O-ND2 2.94Å; L53-N56 PolarHBondContact O-N 2.98Å; R54-N56 PolarHBondContact O-N 2.93Å; N56-V310 WeakPolarHBondContact O-CG1 3.45Å; N56-H311 WeakPolarHBondContact O-CB 3.29Å; N56-H311 PolarHBondContact O-N 2.65Å
57I90.2Very high68Low97 Ų9763.8 Ų63.850%0.49732%0.323SS..EExtended strand (participates in β ladder)trans-96.9132.5174.8-61.1173.9000108.3I59 H311 S312 I314I57-I59 HydrophobicContact CG2-CG1 4.26Å; I57-H311 HydrophobicContact CG1-CB 4.4Å; I57-S312 WeakPolarHBondContact CA-O 3.48Å; I57-I314 HydrophobicContact CG2-CD1 4.09Å; I57-I314 HydrophobicContact CG2-CG1 4.47Å
58L87Confident67.4Low13 Ų1360.5 Ų60.57%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-107.8132.9174.5-60.6-179.9000109.7L32 L53 F60 L305 V310 S312 V313 I314L32-L58 HydrophobicContact CD1-CD2 4.29Å; L32-L58 HydrophobicContact CD2-CD2 4.11Å; L53-L58 HydrophobicContact CD2-CD1 4.41Å; L53-L58 HydrophobicContact CD2-CD2 4.18Å; L58-F60 HydrophobicContact CB-CE2 4.25Å; L58-L305 HydrophobicContact CD1-CD1 3.76Å; L58-L305 HydrophobicContact CD1-CD2 3.77Å; L58-L305 HydrophobicContact CD1-CG 3.85Å; L58-V310 HydrophobicContact CB-CG1 4.42Å; L58-V310 HydrophobicContact CD1-CG1 3.93Å; L58-V310 HydrophobicContact CD1-CG2 3.77Å; L58-V310 HydrophobicContact CG-CG1 3.86Å; L58-V310 HydrophobicContact CG-CG2 4.38Å; L58-S312 PolarHBondContact N-O 3.06Å; L58-V313 WeakPolarHBondContact O-CA 3.49Å; L58-I314 PolarHBondContact O-N 2.7Å
59I88.4Confident66.6Low96 Ų9660.4 Ų60.449%0.49232%0.318SS..EExtended strand (participates in β ladder)trans-120.5117178.6-52.1-179000108.1I57 D61 I314I57-I59 HydrophobicContact CG2-CG1 4.26Å; I59-D61 HydrophobicContact CG2-CB 4.38Å; I59-I314 WeakPolarHBondContact CA-O 3.39Å; I59-I314 HydrophobicContact CG1-CB 4.31Å; I59-I314 HydrophobicContact CG1-CD1 4.38Å; I59-I314 HydrophobicContact CG2-CB 4.43Å; I59-I314 HydrophobicContact CG2-CG2 4.36Å
60F84.9Confident65.9Low1 Ų165.2 Ų65.20%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-9586.9171.1-67.6-96.1000108.7Y29 L33 L58 A63 M302 L305 V313 I314 V315 T316Y29-F60 AromaticContact CD1-CD1 3.56Å; Y29-F60 HydrophobicContact CD1-CD1 3.56Å; Y29-F60 AromaticContact CD1-CE1 3.87Å; Y29-F60 HydrophobicContact CD1-CE1 3.87Å; Y29-F60 HydrophobicContact CE1-CB 4.04Å; Y29-F60 AromaticContact CE1-CD1 3.35Å; Y29-F60 HydrophobicContact CE1-CD1 3.35Å; Y29-F60 HydrophobicContact CE1-CE1 4.12Å; Y29-F60 HydrophobicContact CE1-CG 4.02Å; Y29-F60 HydrophobicContact CG-CD1 4.37Å; Y29-F60 AromaticContact CZ-CD1 3.98Å; Y29-F60 WeakPolarHBondContact OH-CA 3.3Å; L33-F60 HydrophobicContact CD1-CE1 4.11Å; L33-F60 HydrophobicContact CD2-CE1 3.88Å; L33-F60 HydrophobicContact CD2-CZ 3.89Å; L33-F60 HydrophobicContact CG-CE1 4.1Å; L58-F60 HydrophobicContact CB-CE2 4.25Å; F60-A63 HydrophobicContact CB-CB 4.15Å; F60-M302 HydrophobicContact CE2-CE 4.32Å; F60-L305 HydrophobicContact CE2-CD2 4.02Å; F60-L305 HydrophobicContact CZ-CD2 3.78Å; F60-V313 HydrophobicContact CD2-CG1 3.88Å; F60-V313 HydrophobicContact CE2-CG1 3.85Å; F60-I314 PolarHBondContact N-O 3.5Å; F60-V315 HydrophobicContact CB-CB 4.47Å; F60-V315 HydrophobicContact CB-CG1 4.17Å; F60-V315 HydrophobicContact CB-CG2 4.28Å; F60-V315 HydrophobicContact CD2-CG2 4.44Å; F60-T316 PolarHBondContact O-N 3.26Å
61D83.9Confident65.1Low99 Ų9964.7 Ų64.753%0.52935%0.346SS..THydrogen-bonded Turntrans-86.4136.9-179.3-166.740.2000113.7Y29 I59 A63 T316Y29-D61 PolarHBondContact OH-N 3.44Å; Y29-D61 PolarHBondContact OH-O 2.7Å; I59-D61 HydrophobicContact CG2-CB 4.38Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-A63 PolarHBondContact O-N 3.16Å; D61-T316 WeakPolarHBondContact CA-OG1 3.25Å; D61-T316 WeakPolarHBondContact OD1-CB 3.46Å; D61-T316 PolarHBondContact OD1-OG1 3.22Å
62E74.6Confident63.8Low64 Ų6466.4 Ų66.430%0.29936%0.356SS..THydrogen-bonded Turntrans48.950-167.4-76-77.686.500112.4H64 N65 T316 S317 G318E62-H64 PolarHBondContact O-N 3.22Å; E62-H64 IonicContact OE1-CE1 3.62Å; E62-H64 PolarHBondContact OE1-CE1 2.87Å; E62-H64 IonicContact OE1-ND1 3.21Å; E62-H64 PolarHBondContact OE1-ND1 3.45Å; E62-H64 IonicContact OE2-CE1 3.45Å; E62-H64 PolarHBondContact OE2-CE1 3.15Å; E62-H64 IonicContact OE2-ND1 2.75Å; E62-H64 IonicContact OE2-NE2 2.72Å; E62-N65 HydrophobicContact CB-CB 4.47Å; E62-N65 WeakPolarHBondContact O-CB 3.19Å; E62-N65 PolarHBondContact O-N 3.36Å; E62-N65 PolarHBondContact OE2-ND2 2.97Å; E62-T316 CarbonylContact C-O 3.55Å; E62-T316 WeakPolarHBondContact CA-O 3.21Å; E62-T316 PolarHBondContact N-O 2.62Å; E62-S317 WeakPolarHBondContact OE1-CA 3.36Å; E62-G318 PolarHBondContact OE1-N 3.41Å
63A71.2Confident62.4Low0 Ų063 Ų630%033%0.333CS..THydrogen-bonded Turntrans-62.22.7-175.100000116.3F60 D61 C76 V315 T316F60-A63 HydrophobicContact CB-CB 4.15Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-A63 PolarHBondContact O-N 3.16Å; A63-C76 HydrophobicContact CB-CB 4.3Å; A63-C76 PolarHBondContact O-N 3.02Å; A63-C76 VanDerWaalsContact O-N 3.1Å; A63-V315 HydrophobicContact CB-CG1 3.39Å; A63-T316 PolarHBondContact N-O 3.36Å
64H63.9Low61.1Low7 Ų762.7 Ų62.73%0.03233%0.332CS..THydrogen-bonded Turntrans-91.4-9.9168.173.7-105.6000113.7E62 S317 T319 Q614E62-H64 PolarHBondContact O-N 3.22Å; E62-H64 IonicContact OE1-CE1 3.62Å; E62-H64 PolarHBondContact OE1-CE1 2.87Å; E62-H64 IonicContact OE1-ND1 3.21Å; E62-H64 PolarHBondContact OE1-ND1 3.45Å; E62-H64 IonicContact OE2-CE1 3.45Å; E62-H64 PolarHBondContact OE2-CE1 3.15Å; E62-H64 IonicContact OE2-ND1 2.75Å; E62-H64 IonicContact OE2-NE2 2.72Å; H64-S317 PolarHBondContact ND1-OG 3.2Å; H64-T319 PolarHBondContact ND1-OG1 3.41Å; H64-Q614 PolarHBondContact CD2-NE2 3.22Å; H64-Q614 PolarHBondContact O-NE2 2.79Å
65N52.1Low59.9Low11 Ų1153.5 Ų53.56%0.05930%0.298CS..  trans-111.3167.3-178.9-70-50.5000111.3E62E62-N65 HydrophobicContact CB-CB 4.47Å; E62-N65 WeakPolarHBondContact O-CB 3.19Å; E62-N65 PolarHBondContact O-N 3.36Å; E62-N65 PolarHBondContact OE2-ND2 2.97Å
66L46.1Very low58.9Low86 Ų8651.4 Ų51.445%0.4528%0.276SS..  trans71.9128.6176.2-44.8171.6000112.3Y29 I79Y29-L66 HydrophobicContact CD2-CB 4.1Å; Y29-L66 HydrophobicContact CD2-CD1 4.13Å; Y29-L66 HydrophobicContact CE2-CB 4.29Å; Y29-L66 HydrophobicContact CE2-CD1 3.9Å; L66-I79 WeakPolarHBondContact O-CD1 3.45Å; L66-I79 WeakPolarHBondContact O-CG1 3.46Å
67V32.9Very low58.1Low56 Ų5648.1 Ų48.134%0.33926%0.258SS..  cis-141.8146.123.9171.80000110C69V67-C69 PolarHBondContact O-N 2.99Å
68K31.3Very low57.2Low63 Ų6345.8 Ų45.827%0.27424%0.244SC..  trans-79.8101.7175.9-72.2-172.4176.8650113.8E475K68-E475 VanDerWaalsContact CE-OE2 3.29Å; K68-E475 WeakPolarHBondContact CE-OE2 3.46Å; K68-E475 IonicContact NZ-OE1 3.5Å; K68-E475 PolarHBondContact NZ-OE1 3.06Å; K68-E475 IonicContact NZ-OE2 3.78Å; K68-E475 PolarHBondContact NZ-OE2 2.79Å
69C28.3Very low56.5Low78 Ų7845.7 Ų45.753%0.52724%0.244SC..SBendtrans-103.6132.2142.9-69.20000108.1V67V67-C69 PolarHBondContact O-N 2.99Å
70D35.6Very low55.9Low156 Ų15641.1 Ų41.183%0.83422%0.22SC*.THydrogen-bonded Turntrans37.476.7172.2-58.2-16.5000117.5V72D70-V72 VanDerWaalsContact C-N 3.29Å; D70-V72 PolarHBondContact O-N 3.43Å
71D38.7Very low55.8Low97 Ų9741.5 Ų41.552%0.51922%0.222SC..THydrogen-bonded Turntrans57.716.7164.6-80.50.7000118.5
72V36Very low55.6Low56 Ų5640 Ų4034%0.33921%0.212SC..  trans-125.8141.3179.5179.30000112.8D70D70-V72 VanDerWaalsContact C-N 3.29Å; D70-V72 PolarHBondContact O-N 3.43Å
73I39Very low55.6Low4 Ų437.5 Ų37.52%0.02120%0.202CC..  trans-78.4140.3166.7-64.3-175.4000110.3R470 E475I73-R470 HydrophobicContact CB-CB 4.32Å; I73-R470 HydrophobicContact CB-CG 4.42Å; I73-R470 VanDerWaalsContact CD1-CA 3.48Å; I73-R470 HydrophobicContact CD1-CB 4.23Å; I73-R470 HydrophobicContact CG1-CB 4.01Å; I73-E475 HydrophobicContact CD1-CG 3.32Å; I73-E475 VanDerWaalsContact CG1-CD 3.48Å; I73-E475 HydrophobicContact CG1-CG 3.81Å
74E47.2Very low56Low9 Ų937.5 Ų37.54%0.04220%0.202CC..  trans-114.6137174.2-49.3-153.6176.800111.3K78 I79E74-K78 HydrophobicContact CB-CB 4.14Å; E74-K78 HydrophobicContact CB-CD 4.35Å; E74-K78 HydrophobicContact CB-CG 4.4Å; E74-K78 HydrophobicContact CG-CD 3.96Å; E74-K78 HydrophobicContact CG-CG 4.28Å; E74-K78 IonicContact OE1-NZ 2.73Å; E74-K78 PolarHBondContact OE1-NZ 3.48Å; E74-K78 IonicContact OE2-NZ 2.73Å; E74-I79 HydrophobicContact CB-CG1 4.02Å
75I57.7Low57.1Low10 Ų1038 Ų385%0.05121%0.206CC..  trans-88.4157.8164-61.2136.5000107E77 K78 I79 E607I75-E77 HydrophobicContact CG2-CB 4.45Å; I75-E77 CarbonylContact O-C 3.53Å; I75-E77 PolarHBondContact O-N 3.08Å; I75-K78 PolarHBondContact O-N 2.77Å; I75-I79 PolarHBondContact O-N 2.64Å; I75-E607 WeakPolarHBondContact CD1-OE1 3.29Å
76C60.9Low58.9Low2 Ų238.4 Ų38.41%0.01421%0.207CC..Hα-helixtrans-45.4-33174.6-169.80000114A63 I79 C80 F326 M330A63-C76 HydrophobicContact CB-CB 4.3Å; A63-C76 PolarHBondContact O-N 3.02Å; A63-C76 VanDerWaalsContact O-N 3.1Å; C76-I79 PolarHBondContact O-N 3.11Å; C76-C80 WeakPolarHBondContact O-CB 3.36Å; C76-C80 PolarHBondContact O-N 2.75Å; C76-C80 PolarHBondContact O-SG 3.21Å; C76-C80 VanDerWaalsContact O-SG 3.36Å; C76-F326 HydrophobicContact CB-CE2 4.49Å; C76-M330 HydrophobicContact CB-CE 4.41Å
77E69.9Low61.1Low6 Ų636.6 Ų36.63%0.02820%0.202CC..Hα-helixtrans-51.8-56169.6-173.5-167.9-158.300112.4I75 C80 E81 A298 E329 M330 K505 W603 R610I75-E77 HydrophobicContact CG2-CB 4.45Å; I75-E77 CarbonylContact O-C 3.53Å; I75-E77 PolarHBondContact O-N 3.08Å; E77-C80 WeakPolarHBondContact O-CB 3.3Å; E77-C80 PolarHBondContact O-N 2.71Å; E77-E81 PolarHBondContact O-N 3.14Å; E77-E81 VanDerWaalsContact O-N 3.09Å; E77-A298 HydrophobicContact CB-CB 4.28Å; E77-A298 HydrophobicContact CG-CB 3.87Å; E77-E329 HydrophobicContact CG-CB 4.21Å; E77-M330 HydrophobicContact CB-SD 4.2Å; E77-K505 WeakPolarHBondContact OE1-CE 3.36Å; E77-K505 IonicContact OE1-NZ 3.29Å; E77-K505 PolarHBondContact OE1-NZ 3.15Å; E77-W603 PolarHBondContact OE2-NE1 3.4Å; E77-R610 IonicContact OE2-NH1 3.15Å
78K72.7Confident63.9Low48 Ų4834.2 Ų34.221%0.20919%0.187CC..Hα-helixtrans-70.3-35.1-176.2-171.8175-179.8-75.10111.8E74 I75 C80 E81 E82E74-K78 HydrophobicContact CB-CB 4.14Å; E74-K78 HydrophobicContact CB-CD 4.35Å; E74-K78 HydrophobicContact CB-CG 4.4Å; E74-K78 HydrophobicContact CG-CD 3.96Å; E74-K78 HydrophobicContact CG-CG 4.28Å; E74-K78 IonicContact OE1-NZ 2.73Å; E74-K78 PolarHBondContact OE1-NZ 3.48Å; E74-K78 IonicContact OE2-NZ 2.73Å; I75-K78 PolarHBondContact O-N 2.77Å; K78-C80 VanDerWaalsContact C-N 3.35Å; K78-C80 PolarHBondContact O-N 3.27Å; K78-E81 WeakPolarHBondContact O-CB 3.42Å; K78-E81 PolarHBondContact O-N 2.92Å; K78-E82 HydrophobicContact CG-CG 4.14Å; K78-E82 IonicContact NZ-OE1 2.67Å; K78-E82 PolarHBondContact NZ-OE1 2.71Å; K78-E82 WeakPolarHBondContact O-CG 3.45Å; K78-E82 PolarHBondContact O-N 3.48Å
79I71Confident66.8Low10 Ų1034.1 Ų34.15%0.05119%0.187CC..Hα-helixtrans-61.3-45.5173.9-44.8171.5000110.4Y29 L33 L66 E74 I75 C76 E81 E82 A83Y29-I79 HydrophobicContact CD2-CD1 3.51Å; Y29-I79 HydrophobicContact CE2-CD1 4.32Å; Y29-I79 HydrophobicContact CG-CD1 4.18Å; L33-I79 HydrophobicContact CD1-CB 4.03Å; L33-I79 HydrophobicContact CD1-CG2 3.8Å; L66-I79 WeakPolarHBondContact O-CD1 3.45Å; L66-I79 WeakPolarHBondContact O-CG1 3.46Å; E74-I79 HydrophobicContact CB-CG1 4.02Å; I75-I79 PolarHBondContact O-N 2.64Å; C76-I79 PolarHBondContact O-N 3.11Å; I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 2.99Å; I79-E82 PolarHBondContact O-N 3.04Å; I79-A83 VanDerWaalsContact O-CB 3.24Å; I79-A83 WeakPolarHBondContact O-CB 3.37Å; I79-A83 PolarHBondContact O-N 2.86Å
80C76.3Confident69.7Low0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-59.5-42.8176-76.10000111.6C76 E77 K78 A84 A298 S301C76-C80 WeakPolarHBondContact O-CB 3.36Å; C76-C80 PolarHBondContact O-N 2.75Å; C76-C80 PolarHBondContact O-SG 3.21Å; C76-C80 VanDerWaalsContact O-SG 3.36Å; E77-C80 WeakPolarHBondContact O-CB 3.3Å; E77-C80 PolarHBondContact O-N 2.71Å; K78-C80 VanDerWaalsContact C-N 3.35Å; K78-C80 PolarHBondContact O-N 3.27Å; C80-A84 WeakPolarHBondContact O-CB 3.43Å; C80-A84 PolarHBondContact O-N 2.91Å; C80-A298 HydrophobicContact CB-CB 3.63Å; C80-S301 PolarHBondContact O-OG 3.17Å
81E82.8Confident72.3Confident10 Ų1027 Ų275%0.04715%0.146CC..Hα-helixtrans-64-45.2174.5-73.1-173.8176.100113.3E77 K78 I79 A84 S85 C295 F296 R501 K505E77-E81 PolarHBondContact O-N 3.14Å; E77-E81 VanDerWaalsContact O-N 3.09Å; K78-E81 WeakPolarHBondContact O-CB 3.42Å; K78-E81 PolarHBondContact O-N 2.92Å; I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 2.99Å; E81-A84 CarbonylContact O-C 3.56Å; E81-A84 PolarHBondContact O-N 3.27Å; E81-S85 VanDerWaalsContact O-CB 3.27Å; E81-S85 WeakPolarHBondContact O-CB 3.34Å; E81-S85 PolarHBondContact O-N 3.5Å; E81-S85 PolarHBondContact O-OG 3.3Å; E81-C295 WeakPolarHBondContact CB-O 3.32Å; E81-C295 WeakPolarHBondContact CG-O 3.4Å; E81-F296 VanDerWaalsContact OE1-CA 3.24Å; E81-F296 WeakPolarHBondContact OE1-CA 3.44Å; E81-R501 IonicContact OE2-NH2 3.62Å; E81-R501 PolarHBondContact OE2-NH2 2.85Å; E81-R501 VanDerWaalsContact OE2-NH2 3.12Å; E81-K505 IonicContact OE1-NZ 3.34Å; E81-K505 PolarHBondContact OE1-NZ 3.34Å
82E79.9Confident74.9Confident67 Ų6724.2 Ų24.231%0.31313%0.131SC..Hα-helixtrans-67.8-40.7-178.5-65.5-121.4157.900111.5K78 I79 A84 S85 R501K78-E82 HydrophobicContact CG-CG 4.14Å; K78-E82 IonicContact NZ-OE1 2.67Å; K78-E82 PolarHBondContact NZ-OE1 2.71Å; K78-E82 WeakPolarHBondContact O-CG 3.45Å; K78-E82 PolarHBondContact O-N 3.48Å; I79-E82 PolarHBondContact O-N 3.04Å; E82-A84 VanDerWaalsContact C-N 3.25Å; E82-A84 PolarHBondContact O-N 3.23Å; E82-S85 PolarHBondContact O-N 2.96Å; E82-R501 IonicContact OE1-CZ 2.68Å; E82-R501 IonicContact OE1-NH1 3.89Å; E82-R501 PolarHBondContact OE1-NH1 3.2Å; E82-R501 IonicContact OE1-NH2 2.9Å
83A74.4Confident77.6Confident12 Ų1221.8 Ų21.810%0.09912%0.116CC..Hα-helixtrans-62.3-33.8175.400000112.5L33 P35 I79L33-A83 HydrophobicContact CB-CB 4.34Å; L33-A83 VanDerWaalsContact O-CB 3.27Å; L33-A83 WeakPolarHBondContact O-CB 3.36Å; P35-A83 VanDerWaalsContact CD-O 3.26Å; P35-A83 WeakPolarHBondContact CD-O 3.34Å; I79-A83 VanDerWaalsContact O-CB 3.24Å; I79-A83 WeakPolarHBondContact O-CB 3.37Å; I79-A83 PolarHBondContact O-N 2.86Å
84A79.5Confident80.1Confident0 Ų023.5 Ų23.50%013%0.131CC..THydrogen-bonded Turntrans-87.9-1.7172.900000114.2P35 C80 E81 E82 V247 C295 Y300P35-A84 HydrophobicContact CG-CB 4.26Å; C80-A84 WeakPolarHBondContact O-CB 3.43Å; C80-A84 PolarHBondContact O-N 2.91Å; E81-A84 CarbonylContact O-C 3.56Å; E81-A84 PolarHBondContact O-N 3.27Å; E82-A84 VanDerWaalsContact C-N 3.25Å; E82-A84 PolarHBondContact O-N 3.23Å; A84-V247 VanDerWaalsContact O-CG1 3.27Å; A84-V247 WeakPolarHBondContact O-CG1 3.4Å; A84-C295 HydrophobicContact CB-CB 3.75Å; A84-Y300 HydrophobicContact CB-CD1 3.53Å; A84-Y300 HydrophobicContact CB-CE1 3.98Å; A84-Y300 HydrophobicContact CB-CG 4.44Å
85S87.2Confident82.3Confident16 Ų1624.9 Ų24.911%0.11214%0.144CC..  trans-97.5151.3178.4-67.50000110.9E81 E82 Y293 W294 C295E81-S85 VanDerWaalsContact O-CB 3.27Å; E81-S85 WeakPolarHBondContact O-CB 3.34Å; E81-S85 PolarHBondContact O-N 3.5Å; E81-S85 PolarHBondContact O-OG 3.3Å; E82-S85 PolarHBondContact O-N 2.96Å; S85-Y293 CarbonylContact C-O 3.56Å; S85-Y293 WeakPolarHBondContact CA-O 3.3Å; S85-W294 WeakPolarHBondContact OG-CA 3.39Å; S85-C295 PolarHBondContact OG-N 3.03Å
86F89.5Confident84Confident20 Ų2024.4 Ų24.49%0.08814%0.142CC..EExtended strand (participates in β ladder)trans-142.7139.7176.9-162.1-89.1000110.8F88 K240 R243 L244 V247 Y293F86-F88 HydrophobicContact CD1-CD1 4.18Å; F86-F88 HydrophobicContact CE1-CB 4.1Å; F86-F88 HydrophobicContact CE1-CD1 4.35Å; F86-K240 HydrophobicContact CZ-CG 3.74Å; F86-K240 VanDerWaalsContact CZ-O 3.29Å; F86-K240 WeakPolarHBondContact CZ-O 3.44Å; F86-R243 HydrophobicContact CD2-CG 4.13Å; F86-R243 HydrophobicContact CE2-CB 3.92Å; F86-R243 HydrophobicContact CE2-CG 3.7Å; F86-R243 HydrophobicContact CZ-CB 4.49Å; F86-L244 HydrophobicContact CD1-CB 4.08Å; F86-L244 HydrophobicContact CD1-CD1 3.42Å; F86-L244 VanDerWaalsContact CD1-CD1 3.42Å; F86-L244 HydrophobicContact CD1-CG 4.35Å; F86-L244 HydrophobicContact CE1-CB 3.62Å; F86-L244 HydrophobicContact CE1-CD1 3.69Å; F86-L244 HydrophobicContact CE1-CG 4.2Å; F86-L244 HydrophobicContact CG-CD1 4.33Å; F86-L244 HydrophobicContact CZ-CB 4Å; F86-V247 HydrophobicContact CB-CB 4.33Å; F86-V247 HydrophobicContact CB-CG1 4.06Å; F86-V247 HydrophobicContact CB-CG2 4.47Å; F86-V247 HydrophobicContact CD2-CG2 4.32Å; F86-Y293 PolarHBondContact N-O 3.22Å; F86-Y293 WeakPolarHBondContact O-CA 3.38Å; F86-Y293 PolarHBondContact O-N 3Å
87S91.4Very high85.6Confident49 Ų4924.3 Ų24.334%0.34314%0.141SC..EExtended strand (participates in β ladder)trans-137.3133.3-179.4-570000110.3V291 N292S87-V291 WeakPolarHBondContact CA-O 3.45Å; S87-N292 PolarHBondContact OG-OD1 3.49Å
88F92.3Very high86.7Confident5 Ų531.9 Ų31.92%0.02217%0.174CC..EExtended strand (participates in β ladder)trans-143.4153.1-176.767.3-80.1000111.8F86 D92 I93 L170 L194 L244 M290 V291F86-F88 HydrophobicContact CD1-CD1 4.18Å; F86-F88 HydrophobicContact CE1-CB 4.1Å; F86-F88 HydrophobicContact CE1-CD1 4.35Å; F88-D92 WeakPolarHBondContact CA-OD2 3.49Å; F88-D92 HydrophobicContact CB-CB 4.4Å; F88-I93 HydrophobicContact CD2-CD1 4.1Å; F88-I93 HydrophobicContact CD2-CG1 4.33Å; F88-I93 HydrophobicContact CE2-CD1 3.72Å; F88-I93 HydrophobicContact CE2-CG1 4.44Å; F88-L170 HydrophobicContact CE2-CD1 4.07Å; F88-L170 HydrophobicContact CZ-CD1 4.49Å; F88-L194 HydrophobicContact CE1-CD2 4.1Å; F88-L194 HydrophobicContact CZ-CD1 4.44Å; F88-L194 HydrophobicContact CZ-CD2 4.47Å; F88-L244 HydrophobicContact CD1-CD1 3.53Å; F88-L244 HydrophobicContact CD1-CD2 4.22Å; F88-L244 HydrophobicContact CE1-CD1 3.46Å; F88-L244 VanDerWaalsContact CE1-CD1 3.46Å; F88-L244 HydrophobicContact CE1-CD2 4.08Å; F88-L244 HydrophobicContact CE1-CG 4.45Å; F88-L244 HydrophobicContact CE2-CD2 4.41Å; F88-L244 HydrophobicContact CG-CD1 4.41Å; F88-L244 HydrophobicContact CG-CD2 4.44Å; F88-L244 HydrophobicContact CZ-CD1 4.31Å; F88-L244 HydrophobicContact CZ-CD2 4.17Å; F88-M290 CarbonylContact O-C 3.29Å; F88-M290 WeakPolarHBondContact O-CA 3.27Å; F88-M290 WeakPolarHBondContact O-CG 3.37Å; F88-V291 HydrophobicContact CD1-CB 4.16Å; F88-V291 HydrophobicContact CE1-CB 3.61Å; F88-V291 HydrophobicContact CE1-CG1 3.7Å; F88-V291 HydrophobicContact CE1-CG2 4.49Å; F88-V291 HydrophobicContact CE2-CB 4.06Å; F88-V291 HydrophobicContact CE2-CG2 4.15Å; F88-V291 HydrophobicContact CZ-CB 3.56Å; F88-V291 HydrophobicContact CZ-CG1 3.79Å; F88-V291 HydrophobicContact CZ-CG2 3.95Å; F88-V291 PolarHBondContact N-O 2.96Å; F88-V291 PolarHBondContact O-N 3.09Å
89K91.9Very high87.6Confident62 Ų6230.3 Ų30.327%0.2717%0.167SC..EExtended strand (participates in β ladder)trans-95156167.8-60.6-173.4-175.7-174.80109.6T91 D92 E274 F289 M290K89-T91 WeakPolarHBondContact CB-OG1 3.33Å; K89-T91 PolarHBondContact O-N 3.03Å; K89-T91 VanDerWaalsContact O-N 3.15Å; K89-D92 PolarHBondContact N-OD2 3.34Å; K89-D92 VanDerWaalsContact O-CB 3.31Å; K89-D92 WeakPolarHBondContact O-CB 3.43Å; K89-D92 PolarHBondContact O-N 3.41Å; K89-E274 IonicContact NZ-OE1 3.18Å; K89-E274 PolarHBondContact NZ-OE1 3.44Å; K89-F289 WeakPolarHBondContact CA-O 3.43Å; K89-M290 HydrophobicContact CG-CB 4.37Å; K89-M290 HydrophobicContact CG-CE 4.12Å
90I89.9Confident88.7Confident13 Ų1329.9 Ų29.97%0.06717%0.165CC..Hα-helixtrans-54.7-33.5169.3-168.460.5000111.5D92 I93 A94 E167 L170 F289I90-D92 PolarHBondContact O-N 2.95Å; I90-I93 PolarHBondContact O-N 3.21Å; I90-I93 VanDerWaalsContact O-N 3.12Å; I90-A94 PolarHBondContact O-N 3.01Å; I90-E167 HydrophobicContact CD1-CG 4.25Å; I90-L170 HydrophobicContact CD1-CB 3.98Å; I90-L170 HydrophobicContact CD1-CD1 4.13Å; I90-F289 HydrophobicContact CB-CD1 4.34Å; I90-F289 HydrophobicContact CB-CE1 3.97Å; I90-F289 HydrophobicContact CB-CE2 4.29Å; I90-F289 HydrophobicContact CB-CZ 3.94Å; I90-F289 HydrophobicContact CD1-CE1 4.49Å; I90-F289 HydrophobicContact CD1-CZ 3.98Å; I90-F289 HydrophobicContact CG1-CE1 4.08Å; I90-F289 HydrophobicContact CG1-CZ 4.03Å; I90-F289 HydrophobicContact CG2-CD1 4.17Å; I90-F289 HydrophobicContact CG2-CE1 4.16Å; I90-F289 PolarHBondContact N-O 2.92Å
91T90.7Very high89.6Confident72 Ų7235.6 Ų35.644%0.44219%0.187SC..Hα-helixtrans-64.4-20.7174.862.30000114.7K89 A95K89-T91 WeakPolarHBondContact CB-OG1 3.33Å; K89-T91 PolarHBondContact O-N 3.03Å; K89-T91 VanDerWaalsContact O-N 3.15Å; T91-A95 WeakPolarHBondContact O-CB 3.26Å; T91-A95 PolarHBondContact O-N 3.4Å
92D92.4Very high90Very high38 Ų3836.5 Ų36.520%0.20320%0.199CC..Hα-helixtrans-71-36.2173.8-70.5-59.7000111.2F88 K89 I90 A95 A96 K240F88-D92 WeakPolarHBondContact CA-OD2 3.49Å; F88-D92 HydrophobicContact CB-CB 4.4Å; K89-D92 PolarHBondContact N-OD2 3.34Å; K89-D92 VanDerWaalsContact O-CB 3.31Å; K89-D92 WeakPolarHBondContact O-CB 3.43Å; K89-D92 PolarHBondContact O-N 3.41Å; I90-D92 PolarHBondContact O-N 2.95Å; D92-A95 PolarHBondContact O-N 2.71Å; D92-A96 WeakPolarHBondContact O-CB 3.29Å; D92-A96 PolarHBondContact O-N 2.87Å; D92-K240 HydrophobicContact CB-CD 4.48Å; D92-K240 IonicContact OD1-NZ 3.2Å; D92-K240 PolarHBondContact OD1-NZ 2.84Å; D92-K240 WeakPolarHBondContact OD2-CE 3.39Å; D92-K240 IonicContact OD2-NZ 2.72Å; D92-K240 PolarHBondContact OD2-NZ 2.93Å
93I92.7Very high90.5Very high4 Ų433.3 Ų33.32%0.02118%0.184CC..Hα-helixtrans-70.7-45.5176.1-61.1176.6000109.5F88 I90 A95 A96 L97 L166 E167 L170F88-I93 HydrophobicContact CD2-CD1 4.1Å; F88-I93 HydrophobicContact CD2-CG1 4.33Å; F88-I93 HydrophobicContact CE2-CD1 3.72Å; F88-I93 HydrophobicContact CE2-CG1 4.44Å; I90-I93 PolarHBondContact O-N 3.21Å; I90-I93 VanDerWaalsContact O-N 3.12Å; I93-A95 PolarHBondContact O-N 3.03Å; I93-A96 PolarHBondContact O-N 3.01Å; I93-A96 VanDerWaalsContact O-N 3.09Å; I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 WeakPolarHBondContact O-CB 3.35Å; I93-L97 PolarHBondContact O-N 3.24Å; I93-L166 HydrophobicContact CD1-CD2 4.03Å; I93-L166 HydrophobicContact CD1-CG 4.35Å; I93-E167 HydrophobicContact CG2-CB 4.23Å; I93-L170 HydrophobicContact CD1-CD1 3.28Å
94A92Very high91.4Very high41 Ų4134.1 Ų34.134%0.33919%0.186SC..Hα-helixtrans-56.2-38172.500000112.6I90 K98 E167I90-A94 PolarHBondContact O-N 3.01Å; A94-K98 WeakPolarHBondContact O-CB 3.37Å; A94-K98 PolarHBondContact O-N 3.28Å; A94-E167 WeakPolarHBondContact CB-OE1 3.27Å
95A92.8Very high92Very high38 Ų3840.1 Ų40.131%0.31421%0.213SC..Hα-helixtrans-68.6-42.5174.700000112.4T91 D92 I93 K98 E99 A237T91-A95 WeakPolarHBondContact O-CB 3.26Å; T91-A95 PolarHBondContact O-N 3.4Å; D92-A95 PolarHBondContact O-N 2.71Å; I93-A95 PolarHBondContact O-N 3.03Å; A95-K98 WeakPolarHBondContact O-CB 3.46Å; A95-K98 PolarHBondContact O-N 3.41Å; A95-E99 PolarHBondContact O-N 2.81Å; A95-A237 HydrophobicContact CB-CB 3.85Å
96A94Very high92Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-66-40.1176.900000112D92 I93 K98 E99 A100 M163 A237 F241D92-A96 WeakPolarHBondContact O-CB 3.29Å; D92-A96 PolarHBondContact O-N 2.87Å; I93-A96 PolarHBondContact O-N 3.01Å; I93-A96 VanDerWaalsContact O-N 3.09Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 3.23Å; A96-E99 PolarHBondContact O-N 3.46Å; A96-A100 WeakPolarHBondContact O-CB 3.17Å; A96-A100 PolarHBondContact O-N 3.03Å; A96-M163 HydrophobicContact CB-CE 3.37Å; A96-A237 HydrophobicContact CB-CB 3.96Å; A96-A237 WeakPolarHBondContact CB-O 3.27Å; A96-F241 HydrophobicContact CB-CB 4.07Å
97L94.1Very high92Very high0 Ų041.2 Ų41.20%022%0.217CC..Hα-helixtrans-59.6-41.4170.1-83.6172.5000111.9I93 A100 R101 I160 M163 E164 E167I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 WeakPolarHBondContact O-CB 3.35Å; I93-L97 PolarHBondContact O-N 3.24Å; L97-A100 PolarHBondContact O-N 2.59Å; L97-R101 VanDerWaalsContact O-CB 3.28Å; L97-R101 WeakPolarHBondContact O-CB 3.29Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.34Å; L97-R101 PolarHBondContact O-N 3.15Å; L97-I160 HydrophobicContact CD2-CG2 4.27Å; L97-M163 HydrophobicContact CD2-CB 3.44Å; L97-M163 VanDerWaalsContact CD2-CB 3.44Å; L97-M163 HydrophobicContact CD2-CE 4.41Å; L97-M163 HydrophobicContact CG-CB 3.92Å; L97-M163 HydrophobicContact CG-CE 4.21Å; L97-E164 HydrophobicContact CD1-CG 4.22Å; L97-E164 HydrophobicContact CD2-CG 3.79Å; L97-E167 HydrophobicContact CD1-CB 4.31Å; L97-E167 WeakPolarHBondContact CD1-OE2 3.46Å
98K93.2Very high91.9Very high165 Ų16543 Ų4372%0.71722%0.222SC*.Hα-helixtrans-65.2-40.5176.1-174.8-179.4177-176.80112.2A94 A95 A96 G102A94-K98 WeakPolarHBondContact O-CB 3.37Å; A94-K98 PolarHBondContact O-N 3.28Å; A95-K98 WeakPolarHBondContact O-CB 3.46Å; A95-K98 PolarHBondContact O-N 3.41Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 3.23Å; K98-G102 PolarHBondContact O-N 3.41Å
99E92.8Very high91.7Very high15 Ų1546.5 Ų46.57%0.0724%0.241CC..Hα-helixtrans-63.5-47.6173.3-71.6-169.6140.600111.6A95 A96 G102 A103 L222 S233 G235 L236 A237 L238A95-E99 PolarHBondContact O-N 2.81Å; A96-E99 PolarHBondContact O-N 3.46Å; E99-G102 PolarHBondContact O-N 3.01Å; E99-A103 PolarHBondContact O-N 3.27Å; E99-L222 HydrophobicContact CB-CD1 4.49Å; E99-S233 WeakPolarHBondContact OE1-CB 3.38Å; E99-G235 VanDerWaalsContact CD-CA 3.42Å; E99-G235 WeakPolarHBondContact OE1-CA 3.33Å; E99-G235 PolarHBondContact OE1-N 2.95Å; E99-G235 WeakPolarHBondContact OE2-CA 3.49Å; E99-L236 PolarHBondContact OE1-N 2.9Å; E99-L236 PolarHBondContact OE2-N 2.94Å; E99-L236 VanDerWaalsContact OE2-N 3.09Å; E99-A237 HydrophobicContact CG-CB 4.48Å; E99-A237 WeakPolarHBondContact OE2-CA 3.46Å; E99-A237 WeakPolarHBondContact OE2-CB 3.16Å; E99-A237 PolarHBondContact OE2-N 3.17Å; E99-L238 PolarHBondContact OE2-N 3.35Å
100A93.7Very high91.4Very high0 Ų046.4 Ų46.40%024%0.242CC..Hα-helixtrans-64.9-49.3-178.900000112.6A96 L97 G102 A103 L104 L156 I160 L238A96-A100 WeakPolarHBondContact O-CB 3.17Å; A96-A100 PolarHBondContact O-N 3.03Å; L97-A100 PolarHBondContact O-N 2.59Å; A100-G102 VanDerWaalsContact C-N 3.26Å; A100-G102 PolarHBondContact O-N 3.23Å; A100-A103 PolarHBondContact O-N 3.14Å; A100-L104 WeakPolarHBondContact O-CB 3.12Å; A100-L104 PolarHBondContact O-N 2.93Å; A100-L156 HydrophobicContact CB-CD1 4Å; A100-I160 HydrophobicContact CB-CD1 4.08Å; A100-I160 HydrophobicContact CB-CG1 3.64Å; A100-L238 HydrophobicContact CB-CD1 4.25Å
101R94.3Very high91Very high120 Ų12051 Ų5145%0.45326%0.263SS..Hα-helixtrans-61.2-35.2174.4-70172177.2161.6-8.9111.7L97 K105 I160 E164L97-R101 VanDerWaalsContact O-CB 3.28Å; L97-R101 WeakPolarHBondContact O-CB 3.29Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.34Å; L97-R101 PolarHBondContact O-N 3.15Å; R101-K105 PolarHBondContact O-N 2.96Å; R101-I160 HydrophobicContact CG-CD1 4.18Å; R101-I160 HydrophobicContact CG-CG1 4.4Å; R101-I160 HydrophobicContact CG-CG2 3.94Å; R101-E164 IonicContact CZ-OE1 3.29Å; R101-E164 IonicContact NE-OE1 2.59Å; R101-E164 PolarHBondContact NE-OE1 3.18Å; R101-E164 VanDerWaalsContact NH2-CD 3.28Å; R101-E164 IonicContact NH2-OE1 2.67Å; R101-E164 PolarHBondContact NH2-OE1 3.2Å
102G91.4Very high90.7Very high29 Ų2951.1 Ų51.130%0.29926%0.258SS..Hα-helixtrans-65.3-46.4174.700000112.8K98 E99 A100 K105 M106K98-G102 PolarHBondContact O-N 3.41Å; E99-G102 PolarHBondContact O-N 3.01Å; A100-G102 VanDerWaalsContact C-N 3.26Å; A100-G102 PolarHBondContact O-N 3.23Å; G102-K105 PolarHBondContact O-N 3.43Å; G102-M106 WeakPolarHBondContact O-CE 3.06Å; G102-M106 PolarHBondContact O-N 3.09Å; G102-M106 VanDerWaalsContact O-N 3.09Å
103A91.5Very high90.3Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-61.8-45.7174.100000111.9E99 A100 K105 M106 L107 L156 V218 L222E99-A103 PolarHBondContact O-N 3.27Å; A100-A103 PolarHBondContact O-N 3.14Å; A103-K105 VanDerWaalsContact C-N 3.32Å; A103-K105 PolarHBondContact O-N 3.44Å; A103-M106 PolarHBondContact O-N 3.02Å; A103-L107 WeakPolarHBondContact O-CG 3.13Å; A103-L107 PolarHBondContact O-N 2.93Å; A103-L156 HydrophobicContact CB-CD2 4.16Å; A103-V218 HydrophobicContact CB-CG1 3.69Å; A103-L222 HydrophobicContact CB-CD1 4.45Å; A103-L222 HydrophobicContact CB-CD2 4.04Å; A103-L222 HydrophobicContact CB-CG 4.27Å
104L92.3Very high89.7Confident30 Ų3057 Ų5716%0.15729%0.293CS..Hα-helixtrans-57.6-45.4176.9-179.763.4000111.2A100 L107 L108 L153 L156 I160A100-L104 WeakPolarHBondContact O-CB 3.12Å; A100-L104 PolarHBondContact O-N 2.93Å; L104-L107 PolarHBondContact O-N 3.14Å; L104-L108 HydrophobicContact CD1-CD1 4.17Å; L104-L108 HydrophobicContact CD1-CG 4.38Å; L104-L108 HydrophobicContact CG-CD1 4.01Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.37Å; L104-L153 HydrophobicContact CD1-CD2 3.58Å; L104-L156 HydrophobicContact CB-CD2 3.9Å; L104-L156 HydrophobicContact CB-CG 4.26Å; L104-L156 HydrophobicContact CD1-CD2 4.36Å; L104-I160 HydrophobicContact CB-CD1 3.98Å; L104-I160 HydrophobicContact CD2-CD1 3.69Å; L104-I160 HydrophobicContact CG-CD1 4.44Å
105K91.3Very high89Confident126 Ų12662.4 Ų62.455%0.54831%0.305SS..Hα-helixtrans-61.3-47.2177.2-164.7-164.6175.6-120.80111.8R101 G102 A103 L107 L108 D109R101-K105 PolarHBondContact O-N 2.96Å; G102-K105 PolarHBondContact O-N 3.43Å; A103-K105 VanDerWaalsContact C-N 3.32Å; A103-K105 PolarHBondContact O-N 3.44Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 3.19Å; K105-L108 PolarHBondContact O-N 3.04Å; K105-D109 VanDerWaalsContact CE-OD2 3.22Å; K105-D109 WeakPolarHBondContact CE-OD2 3.29Å; K105-D109 IonicContact NZ-OD1 3.25Å; K105-D109 IonicContact NZ-OD2 3.05Å; K105-D109 PolarHBondContact NZ-OD2 3.02Å; K105-D109 WeakPolarHBondContact O-CB 3.14Å; K105-D109 PolarHBondContact O-N 3.34Å
106M88.7Confident88.4Confident51 Ų5166 Ų6625%0.25132%0.315SS..Hα-helixtrans-62.7-38.2-179.5-72.3-176.7-72.900112.3G102 A103 E110 Y221 L222 M232G102-M106 WeakPolarHBondContact O-CE 3.06Å; G102-M106 PolarHBondContact O-N 3.09Å; G102-M106 VanDerWaalsContact O-N 3.09Å; A103-M106 PolarHBondContact O-N 3.02Å; M106-E110 VanDerWaalsContact O-CB 3.28Å; M106-E110 WeakPolarHBondContact O-CB 3.48Å; M106-E110 VanDerWaalsContact O-CG 3.23Å; M106-E110 WeakPolarHBondContact O-CG 3.45Å; M106-E110 PolarHBondContact O-N 2.89Å; M106-Y221 HydrophobicContact CB-CE1 4.17Å; M106-L222 HydrophobicContact CE-CD2 3.35Å; M106-M232 HydrophobicContact SD-SD 4.22Å
107L88.9Confident87.5Confident8 Ų869.4 Ų69.44%0.04234%0.336CS..Hα-helixtrans-66-37.7175.4-68.4163.3000112.5A103 L104 K105 Q111 S149 V151 L153 L156 Y221A103-L107 WeakPolarHBondContact O-CG 3.13Å; A103-L107 PolarHBondContact O-N 2.93Å; L104-L107 PolarHBondContact O-N 3.14Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 3.19Å; L107-Q111 PolarHBondContact O-N 3.09Å; L107-S149 VanDerWaalsContact CD2-OG 3.3Å; L107-S149 WeakPolarHBondContact CD2-OG 3.48Å; L107-V151 HydrophobicContact CD1-CB 4Å; L107-V151 HydrophobicContact CD1-CG1 3.67Å; L107-L153 HydrophobicContact CB-CD2 3.63Å; L107-L153 HydrophobicContact CB-CG 4.49Å; L107-L153 HydrophobicContact CD1-CD2 4.16Å; L107-L156 HydrophobicContact CD1-CD2 3.95Å; L107-Y221 HydrophobicContact CD1-CE1 4.49Å; L107-Y221 HydrophobicContact CD2-CD1 4.44Å; L107-Y221 HydrophobicContact CD2-CD2 4.08Å; L107-Y221 HydrophobicContact CD2-CE1 3.92Å; L107-Y221 HydrophobicContact CD2-CE2 3.48Å; L107-Y221 VanDerWaalsContact CD2-CE2 3.48Å; L107-Y221 VanDerWaalsContact CD2-CZ 3.4Å; L107-Y221 HydrophobicContact CG-CD1 4.47Å; L107-Y221 HydrophobicContact CG-CE1 3.82Å; L107-Y221 HydrophobicContact CG-CE2 4.28Å; L107-Y221 PolarHBondContact N-OH 3.14Å
108L89.2Confident86.6Confident85 Ų8573.1 Ų73.145%0.44536%0.355SS..Hα-helixtrans-71.8-45.2175.8-69.8170.7000112.5L104 K105 E110 Q111 E112 L153L104-L108 HydrophobicContact CD1-CD1 4.17Å; L104-L108 HydrophobicContact CD1-CG 4.38Å; L104-L108 HydrophobicContact CG-CD1 4.01Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.37Å; K105-L108 PolarHBondContact O-N 3.04Å; L108-E110 PolarHBondContact O-N 3.14Å; L108-Q111 PolarHBondContact O-N 3.26Å; L108-E112 PolarHBondContact O-N 2.75Å; L108-L153 HydrophobicContact CD2-CD2 4.3Å; L108-L153 HydrophobicContact CG-CD2 4.35Å
109D87.7Confident85.9Confident79 Ų7968.4 Ų68.442%0.42234%0.341SS..Hα-helixtrans-57.9-38.3173.8-72.1-14000109.8K105 S113K105-D109 VanDerWaalsContact CE-OD2 3.22Å; K105-D109 WeakPolarHBondContact CE-OD2 3.29Å; K105-D109 IonicContact NZ-OD1 3.25Å; K105-D109 IonicContact NZ-OD2 3.05Å; K105-D109 PolarHBondContact NZ-OD2 3.02Å; K105-D109 WeakPolarHBondContact O-CB 3.14Å; K105-D109 PolarHBondContact O-N 3.34Å; D109-S113 WeakPolarHBondContact O-CB 3.29Å; D109-S113 PolarHBondContact O-N 3.29Å
110E85.6Confident85.1Confident61 Ų6171.5 Ų71.529%0.28536%0.36SS..Hα-helixtrans-70-45.9176-77.2176.2175.600113.1M106 L108 E112 S113 L114 Y221 K225M106-E110 VanDerWaalsContact O-CB 3.28Å; M106-E110 WeakPolarHBondContact O-CB 3.48Å; M106-E110 VanDerWaalsContact O-CG 3.23Å; M106-E110 WeakPolarHBondContact O-CG 3.45Å; M106-E110 PolarHBondContact O-N 2.89Å; L108-E110 PolarHBondContact O-N 3.14Å; E110-E112 PolarHBondContact O-N 2.71Å; E110-S113 PolarHBondContact O-N 3.49Å; E110-S113 PolarHBondContact O-OG 3.45Å; E110-L114 WeakPolarHBondContact O-CG 3.5Å; E110-L114 PolarHBondContact O-N 3.01Å; E110-Y221 VanDerWaalsContact CD-OH 3.23Å; E110-Y221 PolarHBondContact OE2-OH 2.94Å; E110-K225 WeakPolarHBondContact OE1-CE 3.32Å; E110-K225 IonicContact OE1-NZ 3.83Å; E110-K225 PolarHBondContact OE1-NZ 2.88Å; E110-K225 WeakPolarHBondContact OE2-CE 3.19Å; E110-K225 IonicContact OE2-NZ 3.69Å; E110-K225 PolarHBondContact OE2-NZ 3.26Å
111Q82.6Confident84.1Confident110 Ų11075.9 Ų75.951%0.51438%0.377SS..Hα-helixtrans-59.8-42.8174.8-81-165-2400112.7L107 L108 L114 R115 L153L107-Q111 PolarHBondContact O-N 3.09Å; L108-Q111 PolarHBondContact O-N 3.26Å; Q111-L114 PolarHBondContact O-N 3.22Å; Q111-R115 WeakPolarHBondContact O-CB 3.25Å; Q111-R115 PolarHBondContact O-N 3.49Å; Q111-L153 VanDerWaalsContact CD-CD1 3.44Å; Q111-L153 HydrophobicContact CG-CD1 4.45Å; Q111-L153 VanDerWaalsContact OE1-CD1 3.31Å
112E83.7Confident83.2Confident73 Ų7375.1 Ų75.134%0.34138%0.377SS..Hα-helixtrans-70.1-34.1178.3-176.255.8-150.600111.3L108 E110 L114 R115 Q116L108-E112 PolarHBondContact O-N 2.75Å; E110-E112 PolarHBondContact O-N 2.71Å; E112-L114 PolarHBondContact O-N 3.46Å; E112-R115 PolarHBondContact O-N 3.34Å; E112-R115 WeakPolarHBondContact OE2-CD 3.27Å; E112-R115 IonicContact OE2-NH1 2.75Å; E112-R115 PolarHBondContact OE2-NH1 2.89Å; E112-Q116 WeakPolarHBondContact O-CB 3.38Å; E112-Q116 VanDerWaalsContact O-CG 3.29Å; E112-Q116 WeakPolarHBondContact O-CG 3.4Å; E112-Q116 PolarHBondContact O-N 3.27Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.45Å; E112-Q116 PolarHBondContact OE1-NE2 3.19Å
113S84.2Confident82.5Confident57 Ų5781.6 Ų81.640%0.39940%0.397SS..Hα-helixtrans-63.4-39.717280.90000112.9D109 E110 T117D109-S113 WeakPolarHBondContact O-CB 3.29Å; D109-S113 PolarHBondContact O-N 3.29Å; E110-S113 PolarHBondContact O-N 3.49Å; E110-S113 PolarHBondContact O-OG 3.45Å; S113-T117 WeakPolarHBondContact O-CB 3.36Å; S113-T117 PolarHBondContact O-N 3.21Å; S113-T117 PolarHBondContact O-OG1 3.36Å
114L79Confident81.8Confident108 Ų10885.7 Ų85.757%0.56542%0.422SS*.Hα-helixtrans-67.8-43.7175-72.9169.9000110.7E110 Q111 E112 Q116 T117 I118E110-L114 WeakPolarHBondContact O-CG 3.5Å; E110-L114 PolarHBondContact O-N 3.01Å; Q111-L114 PolarHBondContact O-N 3.22Å; E112-L114 PolarHBondContact O-N 3.46Å; L114-Q116 PolarHBondContact O-N 2.96Å; L114-T117 WeakPolarHBondContact O-CB 3.34Å; L114-T117 PolarHBondContact O-N 3.22Å; L114-I118 VanDerWaalsContact O-CG1 3.3Å; L114-I118 WeakPolarHBondContact O-CG1 3.27Å; L114-I118 PolarHBondContact O-N 3.11Å
115R78.9Confident81Confident156 Ų15691.2 Ų91.259%0.58944%0.442SS*.Hα-helixtrans-58.9-47.4175.1-171.8-167.5-1701763.8112Q111 E112 T117 I118 V119Q111-R115 WeakPolarHBondContact O-CB 3.25Å; Q111-R115 PolarHBondContact O-N 3.49Å; E112-R115 PolarHBondContact O-N 3.34Å; E112-R115 WeakPolarHBondContact OE2-CD 3.27Å; E112-R115 IonicContact OE2-NH1 2.75Å; E112-R115 PolarHBondContact OE2-NH1 2.89Å; R115-T117 VanDerWaalsContact C-N 3.3Å; R115-T117 PolarHBondContact O-N 2.98Å; R115-I118 PolarHBondContact O-N 2.86Å; R115-V119 WeakPolarHBondContact O-CB 3.41Å; R115-V119 VanDerWaalsContact O-CG2 3.3Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å; R115-V119 PolarHBondContact O-N 3.42Å
116Q78.5Confident79.6Confident112 Ų11288 Ų8852%0.52345%0.445SS..Hα-helixtrans-64.2-36.4176.8-72.1175.818.200111.7E112 L114 T120E112-Q116 WeakPolarHBondContact O-CB 3.38Å; E112-Q116 VanDerWaalsContact O-CG 3.29Å; E112-Q116 WeakPolarHBondContact O-CG 3.4Å; E112-Q116 PolarHBondContact O-N 3.27Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.45Å; E112-Q116 PolarHBondContact OE1-NE2 3.19Å; L114-Q116 PolarHBondContact O-N 2.96Å; Q116-T120 VanDerWaalsContact O-CB 3.28Å; Q116-T120 WeakPolarHBondContact O-CB 3.34Å; Q116-T120 PolarHBondContact O-N 2.92Å; Q116-T120 PolarHBondContact O-OG1 3.38Å
117T77Confident78.3Confident72 Ų7288.9 Ų88.944%0.44245%0.453SS..Hα-helixtrans-62.8-49.6172.2-57.50000111.1S113 L114 R115 V119 T120 W121S113-T117 WeakPolarHBondContact O-CB 3.36Å; S113-T117 PolarHBondContact O-N 3.21Å; S113-T117 PolarHBondContact O-OG1 3.36Å; L114-T117 WeakPolarHBondContact O-CB 3.34Å; L114-T117 PolarHBondContact O-N 3.22Å; R115-T117 VanDerWaalsContact C-N 3.3Å; R115-T117 PolarHBondContact O-N 2.98Å; T117-V119 PolarHBondContact O-N 2.72Å; T117-T120 PolarHBondContact O-N 3.37Å; T117-W121 WeakPolarHBondContact O-CB 3.45Å; T117-W121 PolarHBondContact O-N 2.96Å
118I73.9Confident76.9Confident78 Ų7893.7 Ų93.740%0.448%0.482SS..Hα-helixtrans-59.7-45177.7-68.7162.3000111.2L114 R115 W121 F122L114-I118 VanDerWaalsContact O-CG1 3.3Å; L114-I118 WeakPolarHBondContact O-CG1 3.27Å; L114-I118 PolarHBondContact O-N 3.11Å; R115-I118 PolarHBondContact O-N 2.86Å; I118-W121 PolarHBondContact O-N 3.09Å; I118-F122 WeakPolarHBondContact O-CB 3.31Å; I118-F122 PolarHBondContact O-N 3.01Å
119V77.8Confident75.3Confident67 Ų6791.6 Ų91.641%0.40647%0.473SS..Hα-helixtrans-62.6-44.6176.6168.90000111.1R115 T117 F122 F123R115-V119 WeakPolarHBondContact O-CB 3.41Å; R115-V119 VanDerWaalsContact O-CG2 3.3Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å; R115-V119 PolarHBondContact O-N 3.42Å; T117-V119 PolarHBondContact O-N 2.72Å; V119-F122 PolarHBondContact O-N 2.75Å; V119-F123 HydrophobicContact CG1-CD2 3.76Å; V119-F123 HydrophobicContact CG1-CE2 3.81Å; V119-F123 VanDerWaalsContact O-CD2 3.3Å; V119-F123 WeakPolarHBondContact O-CD2 3.33Å; V119-F123 PolarHBondContact O-N 2.89Å
120T76.7Confident73.7Confident79 Ų7995 Ų9549%0.48548%0.484SS..Hα-helixtrans-62.8-43.4176.4-58.40000111Q116 T117 F123 T124Q116-T120 VanDerWaalsContact O-CB 3.28Å; Q116-T120 WeakPolarHBondContact O-CB 3.34Å; Q116-T120 PolarHBondContact O-N 2.92Å; Q116-T120 PolarHBondContact O-OG1 3.38Å; T117-T120 PolarHBondContact O-N 3.37Å; T120-F123 PolarHBondContact O-N 2.87Å; T120-T124 WeakPolarHBondContact O-CB 3.45Å; T120-T124 PolarHBondContact O-N 3.33Å; T120-T124 PolarHBondContact O-OG1 3.42Å
121W72.6Confident72Confident93 Ų93101.4 Ų101.435%0.35251%0.514SS..Hα-helixtrans-64.8-40.9177-87.565.8000112.6T117 I118 T124 Y125 V135T117-W121 WeakPolarHBondContact O-CB 3.45Å; T117-W121 PolarHBondContact O-N 2.96Å; I118-W121 PolarHBondContact O-N 3.09Å; W121-T124 PolarHBondContact O-N 3.43Å; W121-Y125 HydrophobicContact CB-CD2 4.41Å; W121-Y125 AromaticContact CD2-CD2 3.85Å; W121-Y125 HydrophobicContact CD2-CD2 3.85Å; W121-Y125 AromaticContact CD2-CE2 3.98Å; W121-Y125 HydrophobicContact CD2-CE2 3.98Å; W121-Y125 AromaticContact CE3-CD2 3.71Å; W121-Y125 HydrophobicContact CE3-CD2 3.71Å; W121-Y125 HydrophobicContact CE3-CE2 4.11Å; W121-Y125 HydrophobicContact CG-CD2 4.18Å; W121-Y125 HydrophobicContact CG-CE2 4.39Å; W121-Y125 HydrophobicContact CZ2-CE2 4.48Å; W121-Y125 HydrophobicContact CZ3-CD2 4.24Å; W121-Y125 HydrophobicContact CZ3-CE2 4.4Å; W121-Y125 WeakPolarHBondContact O-CB 3.42Å; W121-Y125 PolarHBondContact O-N 2.97Å; W121-V135 HydrophobicContact CE3-CG1 4.32Å; W121-V135 HydrophobicContact CH2-CG1 3.38Å; W121-V135 HydrophobicContact CZ2-CG1 4.22Å; W121-V135 HydrophobicContact CZ3-CG1 3.43Å; W121-V135 VanDerWaalsContact CZ3-CG1 3.43Å
122F74.8Confident70.4Confident103 Ų103103.9 Ų103.945%0.45253%0.531SS..Hα-helixtrans-60.8-48.1175.4179-102000111.6I118 V119 G126 V128I118-F122 WeakPolarHBondContact O-CB 3.31Å; I118-F122 PolarHBondContact O-N 3.01Å; V119-F122 PolarHBondContact O-N 2.75Å; F122-G126 VanDerWaalsContact O-CA 3.23Å; F122-G126 WeakPolarHBondContact O-CA 3.26Å; F122-G126 PolarHBondContact O-N 3.42Å; F122-V128 HydrophobicContact CD2-CG2 4.44Å; F122-V128 HydrophobicContact CE2-CG2 4.04Å
123F77Confident68.4Low165 Ų165103 Ų10372%0.72453%0.533SS*.Hα-helixtrans-71.7-31.7177.2-78.8-64.6000114.3V119 T120V119-F123 HydrophobicContact CG1-CD2 3.76Å; V119-F123 HydrophobicContact CG1-CE2 3.81Å; V119-F123 VanDerWaalsContact O-CD2 3.3Å; V119-F123 WeakPolarHBondContact O-CD2 3.33Å; V119-F123 PolarHBondContact O-N 2.89Å; T120-F123 PolarHBondContact O-N 2.87Å
124T77.7Confident66.3Low86 Ų86107 Ų10753%0.52855%0.545SS..Hα-helixtrans-83.4-37.9-176.5-51.90000112.8T120 W121T120-T124 WeakPolarHBondContact O-CB 3.45Å; T120-T124 PolarHBondContact O-N 3.33Å; T120-T124 PolarHBondContact O-OG1 3.42Å; W121-T124 PolarHBondContact O-N 3.43Å
125Y75Confident64.6Low147 Ų147106 Ų10658%0.57654%0.543SS*.Hα-helixtrans-119.6-6.6-170.8-57.6-66.2000114W121 V127W121-Y125 HydrophobicContact CB-CD2 4.41Å; W121-Y125 AromaticContact CD2-CD2 3.85Å; W121-Y125 HydrophobicContact CD2-CD2 3.85Å; W121-Y125 AromaticContact CD2-CE2 3.98Å; W121-Y125 HydrophobicContact CD2-CE2 3.98Å; W121-Y125 AromaticContact CE3-CD2 3.71Å; W121-Y125 HydrophobicContact CE3-CD2 3.71Å; W121-Y125 HydrophobicContact CE3-CE2 4.11Å; W121-Y125 HydrophobicContact CG-CD2 4.18Å; W121-Y125 HydrophobicContact CG-CE2 4.39Å; W121-Y125 HydrophobicContact CZ2-CE2 4.48Å; W121-Y125 HydrophobicContact CZ3-CD2 4.24Å; W121-Y125 HydrophobicContact CZ3-CE2 4.4Å; W121-Y125 WeakPolarHBondContact O-CB 3.42Å; W121-Y125 PolarHBondContact O-N 2.97Å; Y125-V127 PolarHBondContact O-N 3.21Å
126G61.6Low62.7Low59 Ų59103.8 Ų103.861%0.60855%0.549SS*.  trans68.510.8-177.300000114.4F122F122-G126 VanDerWaalsContact O-CA 3.23Å; F122-G126 WeakPolarHBondContact O-CA 3.26Å; F122-G126 PolarHBondContact O-N 3.42Å
127V61Low60.6Low68 Ų68109.1 Ų109.141%0.41257%0.571SS.*  trans-85.8121.2-175.21790000110.3Y125 V129Y125-V127 PolarHBondContact O-N 3.21Å; V127-V129 HydrophobicContact CG1-CG2 4.16Å; V127-V129 PolarHBondContact O-N 2.86Å; V127-V129 VanDerWaalsContact O-N 3.08Å
128V59.7Low58.6Low109 Ų109108.6 Ų108.666%0.66158%0.58SS**  trans-75.492.1164.6-179.70000108.2F122 K130F122-V128 HydrophobicContact CD2-CG2 4.44Å; F122-V128 HydrophobicContact CE2-CG2 4.04Å; V128-K130 PolarHBondContact O-N 2.79Å
129V56.6Low56.8Low42 Ų42110.1 Ų110.126%0.25560%0.598SS.*  trans-67.1114.9171.5-177.10000108.2V127V127-V129 HydrophobicContact CG1-CG2 4.16Å; V127-V129 PolarHBondContact O-N 2.86Å; V127-V129 VanDerWaalsContact O-N 3.08Å
130K53.6Low54.4Low151 Ų151113.3 Ų113.366%0.65762%0.623SS**  trans-82.7144.6164-66.3-176.4177-176.50108.5V128 D132 S133V128-K130 PolarHBondContact O-N 2.79Å; K130-D132 PolarHBondContact O-N 2.83Å; K130-D132 VanDerWaalsContact O-N 3.1Å; K130-S133 PolarHBondContact N-OG 2.93Å; K130-S133 VanDerWaalsContact N-OG 3.16Å; K130-S133 PolarHBondContact O-N 3.4Å; K130-S133 PolarHBondContact O-OG 2.62Å
131E50.9Low52.2Low194 Ų194114.1 Ų114.191%0.90763%0.632SS**THydrogen-bonded Turntrans-56.6-31.6-173.2-63.3174.6126.600113
132D47.4Very low50Low162 Ų162115 Ų11587%0.86665%0.652SS**THydrogen-bonded Turntrans-94.1-0.5179.1-50.6-60.9000115.3K130K130-D132 PolarHBondContact O-N 2.83Å; K130-D132 VanDerWaalsContact O-N 3.1Å
133S43.1Very low47.8Very low56 Ų56118.2 Ų118.239%0.39267%0.671SS.*PPolyproline II helixtrans-94.2125.9-17158.10000113.7K130 V135K130-S133 PolarHBondContact N-OG 2.93Å; K130-S133 VanDerWaalsContact N-OG 3.16Å; K130-S133 PolarHBondContact O-N 3.4Å; K130-S133 PolarHBondContact O-OG 2.62Å; S133-V135 PolarHBondContact O-N 2.75Å
134E40.5Very low45.5Very low140 Ų140116 Ų11665%0.65467%0.671SS**PPolyproline II helixtrans-66.2126.7-179.3-57.6-160.513100111.9P136 R145E134-P136 WeakPolarHBondContact O-CD 3.34Å; E134-R145 IonicContact OE1-CZ 2.85Å; E134-R145 IonicContact OE1-NH1 2.61Å; E134-R145 PolarHBondContact OE1-NH1 3.09Å; E134-R145 IonicContact OE1-NH2 2.7Å; E134-R145 PolarHBondContact OE1-NH2 3.07Å
135V41.7Very low43.1Very low86 Ų86121.8 Ų121.852%0.52168%0.683SS.*PPolyproline II helixtrans-69.3124.4-178.5-176.40000110.2W121 S133W121-V135 HydrophobicContact CE3-CG1 4.32Å; W121-V135 HydrophobicContact CH2-CG1 3.38Å; W121-V135 HydrophobicContact CZ2-CG1 4.22Å; W121-V135 HydrophobicContact CZ3-CG1 3.43Å; W121-V135 VanDerWaalsContact CZ3-CG1 3.43Å; S133-V135 PolarHBondContact O-N 2.75Å
136P39.7Very low41Very low110 Ų110117.8 Ų117.871%0.71469%0.687SS**PPolyproline II helixtrans-64.3143.5-177.1-25.235.7000114.6E134 G138E134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-G138 PolarHBondContact O-N 2.79Å
137F33.9Very low39.8Very low224 Ų224119.5 Ų119.598%0.98269%0.689SS**  trans-35.8120.6178-110.7-114.7000115.6
138G35Very low39.2Very low62 Ų62125.6 Ų125.664%0.63971%0.713SS**  trans-170.8124.4170.100000114.2P136P136-G138 PolarHBondContact O-N 2.79Å
139S36.2Very low39.1Very low110 Ų110122.8 Ų122.877%0.76970%0.698SS**SBendtrans51.783.9169.555.70000118.9S141S139-S141 PolarHBondContact O-N 2.73Å; S139-S141 VanDerWaalsContact O-N 3.12Å
140S27.8Very low39.9Very low133 Ų133126.7 Ų126.793%0.9372%0.718SS**  53.244120.7-47.90000120.6
141S30.9Very low41.4Very low96 Ų96120.1 Ų120.167%0.67169%0.69SS**  trans-142.4138.3150.868.50000112S139 M143S139-S141 PolarHBondContact O-N 2.73Å; S139-S141 VanDerWaalsContact O-N 3.12Å; S141-M143 VanDerWaalsContact C-N 3.31Å; S141-M143 PolarHBondContact O-N 3.24Å
142S25.4Very low43.2Very low111 Ų111113.8 Ų113.878%0.77666%0.662SS**  trans-81.870.6-174.6175.80000111.7T144S142-T144 PolarHBondContact O-N 2.91Å; S142-T144 VanDerWaalsContact O-N 3.11Å
143M28.9Very low45.3Very low172 Ų172107.5 Ų107.585%0.84763%0.629SS**  trans-7792.1163.9-66.8-155.17500109.5S141S141-M143 VanDerWaalsContact C-N 3.31Å; S141-M143 PolarHBondContact O-N 3.24Å
144T29Very low47.6Very low117 Ų117110.9 Ų110.972%0.71864%0.642SS**  trans-54142.1164.741.20000109.8S142 G146S142-T144 PolarHBondContact O-N 2.91Å; S142-T144 VanDerWaalsContact O-N 3.11Å; T144-G146 PolarHBondContact O-N 3.12Å
145R27.1Very low50.1Low209 Ų209108.5 Ų108.579%0.78963%0.631SS**  trans-62.384.7169.1-86.2179.3158.3139.3-4.5109.4E134 S147E134-R145 IonicContact OE1-CZ 2.85Å; E134-R145 IonicContact OE1-NH1 2.61Å; E134-R145 PolarHBondContact OE1-NH1 3.09Å; E134-R145 IonicContact OE1-NH2 2.7Å; E134-R145 PolarHBondContact OE1-NH2 3.07Å; R145-S147 PolarHBondContact O-N 3.17Å
146G30.5Very low52.6Low63 Ų63104.4 Ų104.465%0.64961%0.607SS**PPolyproline II helixtrans-58.7131.916300000108.2T144 Q148T144-G146 PolarHBondContact O-N 3.12Å; G146-Q148 PolarHBondContact O-N 3.36Å
147S37.1Very low55.2Low95 Ų95101.2 Ų101.266%0.66459%0.587SS**PPolyproline II helixtrans-51.7130.8-175.150.60000111.6R145 S149R145-S147 PolarHBondContact O-N 3.17Å; S147-S149 PolarHBondContact O-N 3.41Å
148Q48.5Very low58.1Low195 Ų19595.5 Ų95.591%0.91156%0.563SS**PPolyproline II helixtrans-48.8127.3160.8-92.6175.5-34.400108.2G146 D150G146-Q148 PolarHBondContact O-N 3.36Å; Q148-D150 PolarHBondContact O-N 2.86Å
149S57.7Low60.9Low50 Ų5092.8 Ų92.835%0.3553%0.534SS..  trans-73.8111-178.3520000109.6L107 S147 V151L107-S149 VanDerWaalsContact CD2-OG 3.3Å; L107-S149 WeakPolarHBondContact CD2-OG 3.48Å; S147-S149 PolarHBondContact O-N 3.41Å; S149-V151 PolarHBondContact O-N 2.92Å
150D73Confident63.8Low125 Ų12588 Ų8867%0.66850%0.499SS*.  trans-62.99.3176.9-164.149.7000114.2Q148 N152 Q217Q148-D150 PolarHBondContact O-N 2.86Å; D150-N152 PolarHBondContact O-N 2.99Å; D150-Q217 PolarHBondContact O-NE2 3.03Å; D150-Q217 PolarHBondContact O-OE1 3.17Å; D150-Q217 PolarHBondContact OD2-NE2 3.49Å
151V85.6Confident67Low12 Ų1287 Ų877%0.07348%0.483CS..  trans-82.4113.8-178.2-178.70000109.8L107 S149 L153 L156 L214 Q217 V218L107-V151 HydrophobicContact CD1-CB 4Å; L107-V151 HydrophobicContact CD1-CG1 3.67Å; S149-V151 PolarHBondContact O-N 2.92Å; V151-L153 PolarHBondContact O-N 3.13Å; V151-L156 HydrophobicContact CG1-CB 4.44Å; V151-L156 HydrophobicContact CG1-CD2 4.04Å; V151-L214 HydrophobicContact CG1-CD1 4.07Å; V151-Q217 HydrophobicContact CG2-CB 3.91Å; V151-V218 HydrophobicContact CG1-CG2 3.73Å; V151-V218 HydrophobicContact CG2-CG2 4.2Å
152N89Confident70.1Confident61 Ų6182.9 Ų82.933%0.32645%0.454SS..  trans-72.8112.2174-173.1-14000111.2D150 N154 E155 L156D150-N152 PolarHBondContact O-N 2.99Å; N152-N154 VanDerWaalsContact C-N 3.25Å; N152-N154 PolarHBondContact O-N 3.5Å; N152-N154 PolarHBondContact OD1-N 3.42Å; N152-E155 HydrophobicContact CB-CB 4.07Å; N152-E155 HydrophobicContact CB-CG 3.95Å; N152-E155 VanDerWaalsContact ND2-CD 3.33Å; N152-E155 PolarHBondContact ND2-OE1 3.29Å; N152-E155 PolarHBondContact O-N 3.42Å; N152-L156 PolarHBondContact O-N 2.88Å
153L90.9Very high73.5Confident31 Ų3177.6 Ų77.616%0.16242%0.417CS..Hα-helixtrans-53.3-37.4177.4-81.7166.8000113.8L104 L107 L108 Q111 V151 S157L104-L153 HydrophobicContact CD1-CD2 3.58Å; L107-L153 HydrophobicContact CB-CD2 3.63Å; L107-L153 HydrophobicContact CB-CG 4.49Å; L107-L153 HydrophobicContact CD1-CD2 4.16Å; L108-L153 HydrophobicContact CD2-CD2 4.3Å; L108-L153 HydrophobicContact CG-CD2 4.35Å; Q111-L153 VanDerWaalsContact CD-CD1 3.44Å; Q111-L153 HydrophobicContact CG-CD1 4.45Å; Q111-L153 VanDerWaalsContact OE1-CD1 3.31Å; V151-L153 PolarHBondContact O-N 3.13Å; L153-S157 WeakPolarHBondContact O-CB 3.44Å; L153-S157 PolarHBondContact O-N 3.01Å; L153-S157 PolarHBondContact O-OG 3.43Å
154N91.7Very high76.6Confident126 Ų12672.3 Ų72.367%0.67439%0.39SS*.Hα-helixtrans-72.6-41.6-178.6-66.4-43.7000111.2N152 S157 H158N152-N154 VanDerWaalsContact C-N 3.25Å; N152-N154 PolarHBondContact O-N 3.5Å; N152-N154 PolarHBondContact OD1-N 3.42Å; N154-S157 PolarHBondContact O-N 2.73Å; N154-H158 WeakPolarHBondContact O-CB 3.08Å; N154-H158 PolarHBondContact O-N 2.93Å
155E93Very high79.7Confident91 Ų9167.7 Ų67.743%0.42537%0.366SS..Hα-helixtrans-68.1-39.3176.8-64.6169.1-150.300111.3N152 H158 L159 L214N152-E155 HydrophobicContact CB-CB 4.07Å; N152-E155 HydrophobicContact CB-CG 3.95Å; N152-E155 VanDerWaalsContact ND2-CD 3.33Å; N152-E155 PolarHBondContact ND2-OE1 3.29Å; N152-E155 PolarHBondContact O-N 3.42Å; E155-H158 PolarHBondContact O-N 3.26Å; E155-L159 WeakPolarHBondContact O-CB 3.25Å; E155-L159 PolarHBondContact O-N 2.82Å; E155-L214 HydrophobicContact CB-CD1 4.41Å; E155-L214 HydrophobicContact CB-CD2 3.84Å
156L94Very high83Confident0 Ų057.9 Ų57.90%033%0.329CS..Hα-helixtrans-63.1-43.1173.7-178.456.2000112A100 A103 L104 L107 V151 N152 L159 I160 L214 V218A100-L156 HydrophobicContact CB-CD1 4Å; A103-L156 HydrophobicContact CB-CD2 4.16Å; L104-L156 HydrophobicContact CB-CD2 3.9Å; L104-L156 HydrophobicContact CB-CG 4.26Å; L104-L156 HydrophobicContact CD1-CD2 4.36Å; L107-L156 HydrophobicContact CD1-CD2 3.95Å; V151-L156 HydrophobicContact CG1-CB 4.44Å; V151-L156 HydrophobicContact CG1-CD2 4.04Å; N152-L156 PolarHBondContact O-N 2.88Å; L156-L159 PolarHBondContact O-N 3.3Å; L156-I160 HydrophobicContact CD1-CD1 4.32Å; L156-I160 HydrophobicContact CG-CD1 4.21Å; L156-I160 WeakPolarHBondContact O-CD1 3.31Å; L156-I160 VanDerWaalsContact O-CG1 3.3Å; L156-I160 WeakPolarHBondContact O-CG1 3.45Å; L156-I160 PolarHBondContact O-N 3.43Å; L156-L214 HydrophobicContact CB-CD1 4.48Å; L156-V218 HydrophobicContact CD1-CG2 4.04Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å
157S94.3Very high86Confident42 Ų4257.2 Ų57.229%0.29431%0.309SS..Hα-helixtrans-63.5-41.5175.5-580000111.7L153 N154 I160 L161L153-S157 WeakPolarHBondContact O-CB 3.44Å; L153-S157 PolarHBondContact O-N 3.01Å; L153-S157 PolarHBondContact O-OG 3.43Å; N154-S157 PolarHBondContact O-N 2.73Å; S157-I160 PolarHBondContact O-N 2.88Å; S157-L161 WeakPolarHBondContact O-CG 3.37Å; S157-L161 PolarHBondContact O-N 3.02Å
158H94.3Very high88.6Confident105 Ų10557.9 Ų57.949%0.48630%0.301SS..Hα-helixtrans-66.7-41.1176.4-169.2-89.8000112.3N154 E155 I160 L161 L162N154-H158 WeakPolarHBondContact O-CB 3.08Å; N154-H158 PolarHBondContact O-N 2.93Å; E155-H158 PolarHBondContact O-N 3.26Å; H158-I160 VanDerWaalsContact C-N 3.33Å; H158-I160 PolarHBondContact O-N 2.93Å; H158-L161 PolarHBondContact O-N 3.02Å; H158-L162 WeakPolarHBondContact O-CG 3.34Å; H158-L162 PolarHBondContact O-N 2.78Å
159L95.1Very high90.8Very high4 Ų452.5 Ų52.52%0.02127%0.273CS..Hα-helixtrans-61.4-40.5175.2175.556.4000111.8E155 L156 L161 L162 M163 I211 L214 L238 F241E155-L159 WeakPolarHBondContact O-CB 3.25Å; E155-L159 PolarHBondContact O-N 2.82Å; L156-L159 PolarHBondContact O-N 3.3Å; L159-L161 PolarHBondContact O-N 3.46Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-M163 HydrophobicContact CD1-CG 3.94Å; L159-M163 HydrophobicContact CD1-SD 3.68Å; L159-M163 HydrophobicContact CD2-SD 4.4Å; L159-M163 HydrophobicContact CG-CG 4.46Å; L159-M163 HydrophobicContact CG-SD 3.73Å; L159-M163 WeakPolarHBondContact O-CB 3.42Å; L159-M163 VanDerWaalsContact O-CG 3.27Å; L159-M163 WeakPolarHBondContact O-CG 3.22Å; L159-M163 PolarHBondContact O-N 2.75Å; L159-I211 HydrophobicContact CD1-CD1 4.12Å; L159-I211 HydrophobicContact CD1-CG1 4.05Å; L159-I211 HydrophobicContact CD1-CG2 3.83Å; L159-I211 HydrophobicContact CD2-CG2 4.19Å; L159-L214 HydrophobicContact CB-CD2 4.11Å; L159-L214 HydrophobicContact CD2-CD2 3.77Å; L159-L214 HydrophobicContact CD2-CG 4.38Å; L159-L238 HydrophobicContact CD2-CD1 4.16Å; L159-F241 HydrophobicContact CD1-CE1 3.93Å
160I95.9Very high92.4Very high9 Ų950.1 Ų50.15%0.04626%0.256CS..Hα-helixtrans-59.8-46.7175.1-71.6160.5000110.7L97 A100 R101 L104 L156 S157 H158 L162 M163 E164L97-I160 HydrophobicContact CD2-CG2 4.27Å; A100-I160 HydrophobicContact CB-CD1 4.08Å; A100-I160 HydrophobicContact CB-CG1 3.64Å; R101-I160 HydrophobicContact CG-CD1 4.18Å; R101-I160 HydrophobicContact CG-CG1 4.4Å; R101-I160 HydrophobicContact CG-CG2 3.94Å; L104-I160 HydrophobicContact CB-CD1 3.98Å; L104-I160 HydrophobicContact CD2-CD1 3.69Å; L104-I160 HydrophobicContact CG-CD1 4.44Å; L156-I160 HydrophobicContact CD1-CD1 4.32Å; L156-I160 HydrophobicContact CG-CD1 4.21Å; L156-I160 WeakPolarHBondContact O-CD1 3.31Å; L156-I160 VanDerWaalsContact O-CG1 3.3Å; L156-I160 WeakPolarHBondContact O-CG1 3.45Å; L156-I160 PolarHBondContact O-N 3.43Å; S157-I160 PolarHBondContact O-N 2.88Å; H158-I160 VanDerWaalsContact C-N 3.33Å; H158-I160 PolarHBondContact O-N 2.93Å; I160-L162 PolarHBondContact O-N 2.88Å; I160-M163 PolarHBondContact O-N 3.09Å; I160-E164 HydrophobicContact CG2-CG 4.37Å; I160-E164 WeakPolarHBondContact CG2-OE1 3.38Å; I160-E164 WeakPolarHBondContact O-CB 3.37Å; I160-E164 VanDerWaalsContact O-CG 3.29Å; I160-E164 WeakPolarHBondContact O-CG 3.41Å; I160-E164 PolarHBondContact O-N 3.23Å
161L95.5Very high93.3Very high112 Ų11246.4 Ų46.459%0.58624%0.236SC*.Hα-helixtrans-61.8-41.4177.5-67.3170.2000112.8S157 H158 L159 M163 E164 G165S157-L161 WeakPolarHBondContact O-CG 3.37Å; S157-L161 PolarHBondContact O-N 3.02Å; H158-L161 PolarHBondContact O-N 3.02Å; L159-L161 PolarHBondContact O-N 3.46Å; L161-M163 VanDerWaalsContact C-N 3.35Å; L161-E164 PolarHBondContact O-N 2.91Å; L161-G165 PolarHBondContact O-N 3.04Å
162L95.8Very high93.5Very high11 Ų1150.5 Ų50.56%0.05825%0.254CS..Hα-helixtrans-63.7-39.3175.1-69174.4000112.3H158 L159 I160 L166 Q202 L203 L207H158-L162 WeakPolarHBondContact O-CG 3.34Å; H158-L162 PolarHBondContact O-N 2.78Å; L159-L162 PolarHBondContact O-N 3.33Å; I160-L162 PolarHBondContact O-N 2.88Å; L162-L166 WeakPolarHBondContact O-CB 3.24Å; L162-L166 PolarHBondContact O-N 3.21Å; L162-Q202 HydrophobicContact CD2-CB 3.73Å; L162-L203 HydrophobicContact CB-CD2 4.06Å; L162-L203 HydrophobicContact CB-CG 4.28Å; L162-L203 HydrophobicContact CD1-CD2 4.03Å; L162-L207 HydrophobicContact CD1-CD1 4.04Å
163M95.7Very high93.5Very high0 Ų049.4 Ų49.40%025%0.248CC..Hα-helixtrans-72.7-34.1178.3-7217168.900112.4A96 L97 L159 I160 L161 L166 E167 L238 F241A96-M163 HydrophobicContact CB-CE 3.37Å; L97-M163 HydrophobicContact CD2-CB 3.44Å; L97-M163 VanDerWaalsContact CD2-CB 3.44Å; L97-M163 HydrophobicContact CD2-CE 4.41Å; L97-M163 HydrophobicContact CG-CB 3.92Å; L97-M163 HydrophobicContact CG-CE 4.21Å; L159-M163 HydrophobicContact CD1-CG 3.94Å; L159-M163 HydrophobicContact CD1-SD 3.68Å; L159-M163 HydrophobicContact CD2-SD 4.4Å; L159-M163 HydrophobicContact CG-CG 4.46Å; L159-M163 HydrophobicContact CG-SD 3.73Å; L159-M163 WeakPolarHBondContact O-CB 3.42Å; L159-M163 VanDerWaalsContact O-CG 3.27Å; L159-M163 WeakPolarHBondContact O-CG 3.22Å; L159-M163 PolarHBondContact O-N 2.75Å; I160-M163 PolarHBondContact O-N 3.09Å; L161-M163 VanDerWaalsContact C-N 3.35Å; M163-L166 PolarHBondContact O-N 2.92Å; M163-E167 PolarHBondContact O-N 3.47Å; M163-L238 HydrophobicContact CE-CD1 3.97Å; M163-L238 HydrophobicContact SD-CD1 3.91Å; M163-F241 HydrophobicContact CE-CB 4.41Å; M163-F241 HydrophobicContact CE-CD1 3.96Å; M163-F241 HydrophobicContact CE-CD2 4.42Å; M163-F241 HydrophobicContact CE-CE1 4.39Å; M163-F241 HydrophobicContact CE-CG 3.97Å; M163-F241 HydrophobicContact CG-CD1 4.06Å; M163-F241 HydrophobicContact CG-CE1 3.53Å; M163-F241 HydrophobicContact CG-CE2 4.24Å; M163-F241 HydrophobicContact CG-CZ 3.63Å; M163-F241 HydrophobicContact SD-CD1 3.75Å; M163-F241 HydrophobicContact SD-CE1 3.79Å; M163-F241 HydrophobicContact SD-CG 4.37Å; M163-F241 HydrophobicContact SD-CZ 4.43Å
164E94.8Very high93.4Very high60 Ų6048 Ų4828%0.2824%0.24SC..Hα-helixtrans-64.8-47.1171.9-73.8169.7-177.800110.9L97 R101 I160 L161 L166 E167 E168L97-E164 HydrophobicContact CD1-CG 4.22Å; L97-E164 HydrophobicContact CD2-CG 3.79Å; R101-E164 IonicContact CZ-OE1 3.29Å; R101-E164 IonicContact NE-OE1 2.59Å; R101-E164 PolarHBondContact NE-OE1 3.18Å; R101-E164 VanDerWaalsContact NH2-CD 3.28Å; R101-E164 IonicContact NH2-OE1 2.67Å; R101-E164 PolarHBondContact NH2-OE1 3.2Å; I160-E164 HydrophobicContact CG2-CG 4.37Å; I160-E164 WeakPolarHBondContact CG2-OE1 3.38Å; I160-E164 WeakPolarHBondContact O-CB 3.37Å; I160-E164 VanDerWaalsContact O-CG 3.29Å; I160-E164 WeakPolarHBondContact O-CG 3.41Å; I160-E164 PolarHBondContact O-N 3.23Å; L161-E164 PolarHBondContact O-N 2.91Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 3.3Å; E164-E167 PolarHBondContact O-N 2.91Å; E164-E168 PolarHBondContact O-N 3.28Å
165G94.4Very high92.9Very high21 Ų2143.5 Ų43.522%0.21622%0.216CC..Hα-helixtrans-62-32.7174.300000113.5L161 R169L161-G165 PolarHBondContact O-N 3.04Å; G165-R169 VanDerWaalsContact O-CG 3.26Å; G165-R169 WeakPolarHBondContact O-CG 3.46Å; G165-R169 PolarHBondContact O-N 3.34Å
166L95.1Very high92.5Very high2 Ų241.9 Ų41.91%0.0121%0.213CC..Hα-helixtrans-70.7-42.1172.7-17962.9000112.5I93 L162 M163 E164 E168 R169 L170 I197 L198 A201 L203 F241I93-L166 HydrophobicContact CD1-CD2 4.03Å; I93-L166 HydrophobicContact CD1-CG 4.35Å; L162-L166 WeakPolarHBondContact O-CB 3.24Å; L162-L166 PolarHBondContact O-N 3.21Å; M163-L166 PolarHBondContact O-N 2.92Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 3.3Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 3.35Å; L166-R169 PolarHBondContact O-N 3.02Å; L166-L170 HydrophobicContact CD1-CD1 3.99Å; L166-L170 HydrophobicContact CD1-CG 4.01Å; L166-L170 HydrophobicContact CD2-CD1 4.43Å; L166-L170 HydrophobicContact CG-CD1 3.82Å; L166-L170 HydrophobicContact CG-CG 4.3Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.09Å; L166-I197 HydrophobicContact CD1-CG2 3.82Å; L166-L198 HydrophobicContact CD1-CD2 3.79Å; L166-L198 HydrophobicContact CD1-CG 4.44Å; L166-L198 HydrophobicContact CD2-CD2 3.75Å; L166-L198 HydrophobicContact CG-CD2 4.41Å; L166-A201 HydrophobicContact CB-CB 3.89Å; L166-A201 HydrophobicContact CD1-CB 4.01Å; L166-L203 HydrophobicContact CB-CD1 4.05Å; L166-L203 HydrophobicContact CD2-CD1 3.81Å; L166-L203 HydrophobicContact CG-CD1 4.35Å; L166-F241 HydrophobicContact CD2-CE2 3.66Å; L166-F241 HydrophobicContact CD2-CZ 4.22Å
167E93.6Very high92Very high49 Ų4945 Ų4523%0.22923%0.227CC..Hα-helixtrans-60.9-41.3175.5-177167.5-124.300110.9I90 I93 A94 L97 M163 E164 N171I90-E167 HydrophobicContact CD1-CG 4.25Å; I93-E167 HydrophobicContact CG2-CB 4.23Å; A94-E167 WeakPolarHBondContact CB-OE1 3.27Å; L97-E167 HydrophobicContact CD1-CB 4.31Å; L97-E167 WeakPolarHBondContact CD1-OE2 3.46Å; M163-E167 PolarHBondContact O-N 3.47Å; E164-E167 PolarHBondContact O-N 2.91Å; E167-N171 PolarHBondContact O-N 3.34Å; E167-N171 VanDerWaalsContact O-N 3.14Å; E167-N171 PolarHBondContact O-ND2 2.9Å
168E93Very high91.3Very high109 Ų10944.1 Ų44.151%0.50922%0.219SC..Hα-helixtrans-60.2-57.5173.1-174.7174.6-123.500111.7E164 L166 L170 N171 E172E164-E168 PolarHBondContact O-N 3.28Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 3.35Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.38Å; E168-N171 PolarHBondContact O-N 3.29Å; E168-E172 PolarHBondContact O-N 2.82Å
169R93.5Very high90.3Very high83 Ų8345.3 Ų45.331%0.31323%0.228SC..Hα-helixtrans-61-34.6-177.8-67.7-69.1175.8-122.2-14.6113.3G165 L166 E172 E173 I197G165-R169 VanDerWaalsContact O-CG 3.26Å; G165-R169 WeakPolarHBondContact O-CG 3.46Å; G165-R169 PolarHBondContact O-N 3.34Å; L166-R169 PolarHBondContact O-N 3.02Å; R169-E172 WeakPolarHBondContact CD-OE2 3.39Å; R169-E172 IonicContact CZ-OE2 2.87Å; R169-E172 IonicContact NE-OE2 2.7Å; R169-E172 IonicContact NH1-OE1 2.62Å; R169-E172 IonicContact NH1-OE2 2.72Å; R169-E172 PolarHBondContact NH1-OE2 3.02Å; R169-E172 PolarHBondContact O-N 2.65Å; R169-E173 WeakPolarHBondContact O-CB 3.3Å; R169-E173 PolarHBondContact O-N 2.9Å; R169-I197 HydrophobicContact CB-CG2 4.24Å
170L92.5Very high88.9Confident0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-66.5-41.9173.8-74.6169.2000111.6F88 I90 I93 L166 E168 V174 L194 I197 F289F88-L170 HydrophobicContact CE2-CD1 4.07Å; F88-L170 HydrophobicContact CZ-CD1 4.49Å; I90-L170 HydrophobicContact CD1-CB 3.98Å; I90-L170 HydrophobicContact CD1-CD1 4.13Å; I93-L170 HydrophobicContact CD1-CD1 3.28Å; L166-L170 HydrophobicContact CD1-CD1 3.99Å; L166-L170 HydrophobicContact CD1-CG 4.01Å; L166-L170 HydrophobicContact CD2-CD1 4.43Å; L166-L170 HydrophobicContact CG-CD1 3.82Å; L166-L170 HydrophobicContact CG-CG 4.3Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.09Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.38Å; L170-V174 HydrophobicContact CB-CG2 4.48Å; L170-V174 HydrophobicContact CD2-CG2 3.75Å; L170-V174 WeakPolarHBondContact O-CB 3.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.34Å; L170-V174 PolarHBondContact O-N 3Å; L170-L194 HydrophobicContact CD2-CD1 4.26Å; L170-I197 HydrophobicContact CD2-CD1 4.36Å; L170-I197 HydrophobicContact CD2-CG2 3.98Å; L170-I197 HydrophobicContact CG-CG2 4.23Å; L170-F289 HydrophobicContact CB-CZ 4.2Å
171N90.5Very high87.3Confident47 Ų4752.6 Ų52.625%0.25127%0.269SS..Hα-helixtrans-67-36.9175.7-79.5-74.8000112.3E167 E168 L175E167-N171 PolarHBondContact O-N 3.34Å; E167-N171 VanDerWaalsContact O-N 3.14Å; E167-N171 PolarHBondContact O-ND2 2.9Å; E168-N171 PolarHBondContact O-N 3.29Å; N171-L175 VanDerWaalsContact O-CB 3.25Å; N171-L175 WeakPolarHBondContact O-CB 3.42Å
172E90.2Very high85.7Confident97 Ų9751.2 Ų51.245%0.45327%0.267SS..Hα-helixtrans-70.6-46.8176.2-69.8-178.8137.600113.5E168 R169 P176E168-E172 PolarHBondContact O-N 2.82Å; R169-E172 WeakPolarHBondContact CD-OE2 3.39Å; R169-E172 IonicContact CZ-OE2 2.87Å; R169-E172 IonicContact NE-OE2 2.7Å; R169-E172 IonicContact NH1-OE1 2.62Å; R169-E172 IonicContact NH1-OE2 2.72Å; R169-E172 PolarHBondContact NH1-OE2 3.02Å; R169-E172 PolarHBondContact O-N 2.65Å; E172-P176 WeakPolarHBondContact O-CD 3.36Å; E172-P176 VanDerWaalsContact O-CG 3.29Å; E172-P176 WeakPolarHBondContact O-CG 3.48Å
173E89.6Confident83.7Confident39 Ų3960.3 Ų60.318%0.18231%0.31CS..Hα-helixtrans-93.8-22.2-169.4-68.7-166.5-129.100114.8R169 K177 I197 R200R169-E173 WeakPolarHBondContact O-CB 3.3Å; R169-E173 PolarHBondContact O-N 2.9Å; E173-K177 WeakPolarHBondContact O-CD 3.3Å; E173-K177 WeakPolarHBondContact O-CE 3.3Å; E173-K177 WeakPolarHBondContact O-CG 3.41Å; E173-K177 PolarHBondContact O-NZ 3.33Å; E173-I197 HydrophobicContact CB-CD1 4.15Å; E173-I197 HydrophobicContact CB-CG1 4.43Å; E173-R200 VanDerWaalsContact CD-NH2 3.34Å; E173-R200 IonicContact OE1-CZ 2.78Å; E173-R200 IonicContact OE1-NE 3.45Å; E173-R200 PolarHBondContact OE1-NE 3.34Å; E173-R200 IonicContact OE1-NH2 2.55Å; E173-R200 PolarHBondContact OE1-NH2 2.82Å; E173-R200 VanDerWaalsContact OE1-NH2 3.14Å; E173-R200 IonicContact OE2-CZ 3.82Å; E173-R200 IonicContact OE2-NE 3.62Å; E173-R200 IonicContact OE2-NH2 2.65Å; E173-R200 PolarHBondContact OE2-NH2 2.92Å
174V88.3Confident81.5Confident2 Ų265.3 Ų65.31%0.01235%0.345CS..THydrogen-bonded Turntrans-103.4-40.4-173.2-169.90000111.6L170 K177 L178 F193 I197 L271 F289 V291L170-V174 HydrophobicContact CB-CG2 4.48Å; L170-V174 HydrophobicContact CD2-CG2 3.75Å; L170-V174 WeakPolarHBondContact O-CB 3.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.34Å; L170-V174 PolarHBondContact O-N 3Å; V174-K177 PolarHBondContact O-N 3.45Å; V174-L178 HydrophobicContact CG1-CD1 4.32Å; V174-L178 PolarHBondContact O-N 3.2Å; V174-F193 HydrophobicContact CG2-CZ 4.41Å; V174-I197 HydrophobicContact CG2-CD1 3.95Å; V174-L271 HydrophobicContact CG1-CD1 3.59Å; V174-L271 HydrophobicContact CG1-CD2 3.56Å; V174-L271 HydrophobicContact CG1-CG 4.14Å; V174-F289 HydrophobicContact CB-CE2 3.86Å; V174-F289 HydrophobicContact CB-CZ 4.05Å; V174-F289 HydrophobicContact CG1-CD2 3.85Å; V174-F289 HydrophobicContact CG1-CE2 3.62Å; V174-F289 HydrophobicContact CG1-CZ 4.27Å; V174-F289 HydrophobicContact CG2-CE2 4.45Å; V174-V291 HydrophobicContact CG1-CG2 4.39Å
175L82.3Confident79.3Confident31 Ų3166 Ų6616%0.16236%0.355CS..SBendtrans-63.9-43.9-176-171.364.1000113.4N171 K177 L178 L179 R287 F289N171-L175 VanDerWaalsContact O-CB 3.25Å; N171-L175 WeakPolarHBondContact O-CB 3.42Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.1Å; L175-L178 PolarHBondContact O-N 3.15Å; L175-L178 VanDerWaalsContact O-N 3.14Å; L175-L179 HydrophobicContact CG-CD1 4.27Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 2.96Å; L175-R287 HydrophobicContact CD2-CG 4.19Å; L175-F289 HydrophobicContact CD1-CD1 4.18Å
176P83.9Confident77.6Confident56 Ų5666.9 Ų66.936%0.36436%0.357SS..Hα-helixtrans-60.9-39.8175.8-23.835.7000112.3E172 L178 L179 D180E172-P176 WeakPolarHBondContact O-CD 3.36Å; E172-P176 VanDerWaalsContact O-CG 3.29Å; E172-P176 WeakPolarHBondContact O-CG 3.48Å; P176-L178 PolarHBondContact O-N 3.13Å; P176-L178 VanDerWaalsContact O-N 3.09Å; P176-L179 PolarHBondContact O-N 2.9Å; P176-D180 PolarHBondContact O-N 2.94Å
177K84Confident76.6Confident66 Ų6668.1 Ų68.129%0.28736%0.364SS..Hα-helixtrans-67.5-9.6179.1-58.5-177.9-171.9169.80114.2E173 V174 L175 S181 T187 F189 F193 L271E173-K177 WeakPolarHBondContact O-CD 3.3Å; E173-K177 WeakPolarHBondContact O-CE 3.3Å; E173-K177 WeakPolarHBondContact O-CG 3.41Å; E173-K177 PolarHBondContact O-NZ 3.33Å; V174-K177 PolarHBondContact O-N 3.45Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.1Å; K177-S181 PolarHBondContact O-OG 3.41Å; K177-T187 WeakPolarHBondContact O-CG2 3.38Å; K177-T187 PolarHBondContact O-OG1 3.3Å; K177-F189 HydrophobicContact CB-CZ 4.46Å; K177-F189 HydrophobicContact CD-CE1 4.23Å; K177-F189 HydrophobicContact CD-CE2 4.39Å; K177-F189 HydrophobicContact CD-CZ 3.71Å; K177-F193 HydrophobicContact CD-CZ 4.19Å; K177-L271 HydrophobicContact CB-CD1 4.42Å
178L78.7Confident76.2Confident24 Ų2467.6 Ų67.613%0.12637%0.369CS..Hα-helixtrans-101.3-15.8171.4-79.7169.9000113.4V174 L175 P176 S181 L271 F289V174-L178 HydrophobicContact CG1-CD1 4.32Å; V174-L178 PolarHBondContact O-N 3.2Å; L175-L178 PolarHBondContact O-N 3.15Å; L175-L178 VanDerWaalsContact O-N 3.14Å; P176-L178 PolarHBondContact O-N 3.13Å; P176-L178 VanDerWaalsContact O-N 3.09Å; L178-S181 PolarHBondContact O-OG 2.92Å; L178-L271 HydrophobicContact CD1-CB 4.28Å; L178-L271 HydrophobicContact CD2-CB 3.7Å; L178-L271 HydrophobicContact CG-CB 4.06Å; L178-L271 HydrophobicContact CG-CD1 4.33Å; L178-F289 HydrophobicContact CD1-CB 3.43Å; L178-F289 VanDerWaalsContact CD1-CB 3.43Å; L178-F289 HydrophobicContact CD1-CD2 4.29Å; L178-F289 HydrophobicContact CD1-CG 3.92Å
179L73.4Confident76.1Confident129 Ų12964.7 Ų64.768%0.67535%0.354SS*.Hα-helixtrans-92.8-37.8175.8-65.8170.7000111.5L175 P176 S181L175-L179 HydrophobicContact CG-CD1 4.27Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 2.96Å; P176-L179 PolarHBondContact O-N 2.9Å; L179-S181 VanDerWaalsContact C-N 3.33Å
180D66.3Low75.9Confident134 Ų13464.2 Ų64.272%0.71736%0.362SS*.SBendtrans-78.4-15.7178.5-63.8-31.7000113.2P176P176-D180 PolarHBondContact O-N 2.94Å
181S62.9Low75.6Confident32 Ų3264.2 Ų64.222%0.22436%0.362CS..SBendtrans-78120.6179.3550000111.3K177 L178 L179 T187K177-S181 PolarHBondContact O-OG 3.41Å; L178-S181 PolarHBondContact O-OG 2.92Å; L179-S181 VanDerWaalsContact C-N 3.33Å; S181-T187 WeakPolarHBondContact CB-OG1 3.46Å
182P60.2Low75.5Confident84 Ų8465.2 Ų65.255%0.54537%0.365SS..  trans-63.5143.2171.827.7-33.9000110S184 C185P182-S184 PolarHBondContact O-N 3.19Å; P182-C185 HydrophobicContact CG-CB 3.99Å; P182-C185 PolarHBondContact O-N 2.82Å
183E54.6Low75.5Confident202 Ų20261.4 Ų61.494%0.94435%0.347SS*.THydrogen-bonded Turntrans-54.9-17.1-170.1-60.1-167130.300115.7
184S49.7Very low75.6Confident105 Ų10559.7 Ų59.773%0.73434%0.339SS*.THydrogen-bonded Turntrans-88.1-10.6178.157.10000114.9P182P182-S184 PolarHBondContact O-N 3.19Å
185C48.8Very low75.6Confident74 Ų7461.3 Ų61.350%0.535%0.347SS..SBendtrans-113.2104.8-173.4-162.30000111.7P182 T187P182-C185 HydrophobicContact CG-CB 3.99Å; P182-C185 PolarHBondContact O-N 2.82Å; C185-T187 PolarHBondContact O-N 3.15Å
186P58.1Low76.1Confident40 Ų4063.6 Ų63.626%0.2636%0.359SS..  trans-68.2116.5178.426-32.6000111.4A188 Y270P186-A188 PolarHBondContact O-N 3.05Å; P186-Y270 HydrophobicContact CB-CD2 4.2Å; P186-Y270 HydrophobicContact CB-CE2 3.39Å
187T74Confident76.5Confident27 Ų2761 Ų6117%0.16634%0.342CS..  trans-73.593.6-179.8-17.20000110.9K177 S181 C185 F189 L271K177-T187 WeakPolarHBondContact O-CG2 3.38Å; K177-T187 PolarHBondContact O-OG1 3.3Å; S181-T187 WeakPolarHBondContact CB-OG1 3.46Å; C185-T187 PolarHBondContact O-N 3.15Å; T187-F189 HydrophobicContact CG2-CE2 3.61Å; T187-F189 HydrophobicContact CG2-CZ 3.54Å; T187-L271 PolarHBondContact O-N 3.02Å
188A86Confident76.9Confident38 Ų3857.9 Ų57.931%0.31433%0.328SS..EExtended strand (participates in β ladder)trans-115.8139.6-179.500000112P186 V269 Y270 L504P186-A188 PolarHBondContact O-N 3.05Å; A188-V269 CarbonylContact C-O 3.58Å; A188-V269 VanDerWaalsContact CA-O 3.3Å; A188-V269 WeakPolarHBondContact CA-O 3.29Å; A188-Y270 HydrophobicContact CB-CD2 4.31Å; A188-L504 HydrophobicContact CB-CD1 3.91Å; A188-L504 HydrophobicContact CB-CD2 3.62Å; A188-L504 HydrophobicContact CB-CG 4.37Å
189F89.9Confident77.6Confident49 Ų4958.6 Ų58.622%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-130161-174.9-58.2-89.3000111.3K177 T187 F193 K268 V269 L271K177-F189 HydrophobicContact CB-CZ 4.46Å; K177-F189 HydrophobicContact CD-CE1 4.23Å; K177-F189 HydrophobicContact CD-CE2 4.39Å; K177-F189 HydrophobicContact CD-CZ 3.71Å; T187-F189 HydrophobicContact CG2-CE2 3.61Å; T187-F189 HydrophobicContact CG2-CZ 3.54Å; F189-F193 HydrophobicContact CB-CB 3.69Å; F189-F193 HydrophobicContact CB-CD1 3.62Å; F189-F193 HydrophobicContact CB-CG 3.88Å; F189-F193 HydrophobicContact CD1-CD1 4.22Å; F189-F193 HydrophobicContact CD1-CG 4.35Å; F189-F193 AromaticContact CD2-CD1 3.65Å; F189-F193 HydrophobicContact CD2-CD1 3.65Å; F189-F193 AromaticContact CD2-CE1 3.8Å; F189-F193 HydrophobicContact CD2-CE1 3.8Å; F189-F193 HydrophobicContact CE2-CD1 4.42Å; F189-F193 HydrophobicContact CE2-CE1 4.14Å; F189-F193 HydrophobicContact CG-CB 4.35Å; F189-F193 AromaticContact CG-CD1 3.55Å; F189-F193 HydrophobicContact CG-CD1 3.55Å; F189-F193 HydrophobicContact CG-CE1 4.07Å; F189-F193 AromaticContact CG-CG 4Å; F189-F193 HydrophobicContact CG-CG 4Å; F189-K268 CarbonylContact O-C 3.55Å; F189-K268 VanDerWaalsContact O-CA 3.27Å; F189-K268 WeakPolarHBondContact O-CA 3.4Å; F189-V269 HydrophobicContact CB-CB 4.3Å; F189-V269 PolarHBondContact N-O 3.33Å; F189-V269 PolarHBondContact O-N 2.91Å; F189-L271 HydrophobicContact CD2-CD1 4.3Å; F189-L271 HydrophobicContact CD2-CG 4.46Å; F189-L271 HydrophobicContact CE2-CD1 3.66Å; F189-L271 HydrophobicContact CE2-CG 4.22Å
190P89.4Confident78.6Confident72 Ų7257.7 Ų57.747%0.46833%0.326SS..EExtended strand (participates in β ladder)trans-59.1153.8167.7-20.833.8000111.9Q192 F193P190-Q192 PolarHBondContact O-N 3.24Å; P190-Q192 VanDerWaalsContact O-N 3.12Å; P190-F193 WeakPolarHBondContact O-CB 3.27Å; P190-F193 PolarHBondContact O-N 2.99Å
191G86.8Confident79.9Confident0 Ų051.7 Ų51.70%029%0.294CS..THydrogen-bonded Turntrans-54-32178.200000114F193 L194 F267G191-F193 PolarHBondContact O-N 2.79Å; G191-F193 VanDerWaalsContact O-N 3.15Å; G191-L194 PolarHBondContact O-N 3.34Å; G191-F267 PolarHBondContact N-O 3.18Å
192Q88.2Confident81.4Confident68 Ų6856.3 Ų56.332%0.31831%0.313SS..Hα-helixtrans-54.4-32.1175.3-65.484.5-5.900113P190 L194 Q195 D196 A264P190-Q192 PolarHBondContact O-N 3.24Å; P190-Q192 VanDerWaalsContact O-N 3.12Å; Q192-L194 PolarHBondContact O-N 3.42Å; Q192-L194 VanDerWaalsContact O-N 3.15Å; Q192-Q195 CarbonylContact O-C 3.58Å; Q192-Q195 WeakPolarHBondContact O-CB 3.47Å; Q192-Q195 PolarHBondContact O-N 3.5Å; Q192-D196 VanDerWaalsContact O-CB 3.3Å; Q192-D196 WeakPolarHBondContact O-CB 3.41Å; Q192-D196 PolarHBondContact O-N 2.97Å; Q192-A264 HydrophobicContact CG-CB 4.3Å
193F91.2Very high83Confident17 Ų1752.4 Ų52.48%0.07529%0.287CS..Hα-helixtrans-57.3-35.4-176.8172.1-126.5000113.2V174 K177 F189 P190 G191 I197 V269V174-F193 HydrophobicContact CG2-CZ 4.41Å; K177-F193 HydrophobicContact CD-CZ 4.19Å; F189-F193 HydrophobicContact CB-CB 3.69Å; F189-F193 HydrophobicContact CB-CD1 3.62Å; F189-F193 HydrophobicContact CB-CG 3.88Å; F189-F193 HydrophobicContact CD1-CD1 4.22Å; F189-F193 HydrophobicContact CD1-CG 4.35Å; F189-F193 AromaticContact CD2-CD1 3.65Å; F189-F193 HydrophobicContact CD2-CD1 3.65Å; F189-F193 AromaticContact CD2-CE1 3.8Å; F189-F193 HydrophobicContact CD2-CE1 3.8Å; F189-F193 HydrophobicContact CE2-CD1 4.42Å; F189-F193 HydrophobicContact CE2-CE1 4.14Å; F189-F193 HydrophobicContact CG-CB 4.35Å; F189-F193 AromaticContact CG-CD1 3.55Å; F189-F193 HydrophobicContact CG-CD1 3.55Å; F189-F193 HydrophobicContact CG-CE1 4.07Å; F189-F193 AromaticContact CG-CG 4Å; F189-F193 HydrophobicContact CG-CG 4Å; P190-F193 WeakPolarHBondContact O-CB 3.27Å; P190-F193 PolarHBondContact O-N 2.99Å; G191-F193 PolarHBondContact O-N 2.79Å; G191-F193 VanDerWaalsContact O-N 3.15Å; F193-I197 HydrophobicContact CD2-CD1 4.2Å; F193-I197 HydrophobicContact CE1-CD1 4.1Å; F193-I197 HydrophobicContact CE2-CD1 3.5Å; F193-I197 HydrophobicContact CE2-CG1 4.09Å; F193-I197 HydrophobicContact CZ-CD1 3.46Å; F193-I197 VanDerWaalsContact CZ-CD1 3.46Å; F193-I197 WeakPolarHBondContact O-CG1 3.37Å; F193-I197 PolarHBondContact O-N 2.78Å; F193-V269 HydrophobicContact CB-CG2 4.26Å; F193-V269 HydrophobicContact CD1-CB 4.15Å; F193-V269 HydrophobicContact CD1-CG1 4.13Å; F193-V269 HydrophobicContact CD1-CG2 4.25Å
194L90.6Very high84.6Confident4 Ų446.6 Ų46.62%0.02126%0.26CS..Hα-helixtrans-84.2-31.7177.4-171.758.3000112.4F88 L170 G191 Q192 D196 I197 L198 I248 V269 V291 Y293F88-L194 HydrophobicContact CE1-CD2 4.1Å; F88-L194 HydrophobicContact CZ-CD1 4.44Å; F88-L194 HydrophobicContact CZ-CD2 4.47Å; L170-L194 HydrophobicContact CD2-CD1 4.26Å; G191-L194 PolarHBondContact O-N 3.34Å; Q192-L194 PolarHBondContact O-N 3.42Å; Q192-L194 VanDerWaalsContact O-N 3.15Å; L194-D196 VanDerWaalsContact C-N 3.29Å; L194-I197 PolarHBondContact O-N 2.86Å; L194-L198 WeakPolarHBondContact O-CG 3.35Å; L194-L198 PolarHBondContact O-N 3.2Å; L194-I248 HydrophobicContact CD2-CD1 3.43Å; L194-I248 VanDerWaalsContact CD2-CD1 3.43Å; L194-I248 HydrophobicContact CD2-CG1 4.34Å; L194-I248 HydrophobicContact CG-CD1 3.89Å; L194-V269 HydrophobicContact CB-CG2 3.7Å; L194-V291 HydrophobicContact CD1-CG1 4.49Å; L194-V291 HydrophobicContact CD2-CG1 4.12Å; L194-Y293 HydrophobicContact CB-CD2 4.35Å; L194-Y293 HydrophobicContact CD2-CD2 3.91Å; L194-Y293 HydrophobicContact CD2-CG 4.34Å
195Q89Confident86.3Confident36 Ų3643.3 Ų43.317%0.16824%0.236CC..Hα-helixtrans-62.6-38.4171-66.1174.4-25.800111.3Q192 A199 I248 Y249Q192-Q195 CarbonylContact O-C 3.58Å; Q192-Q195 WeakPolarHBondContact O-CB 3.47Å; Q192-Q195 PolarHBondContact O-N 3.5Å; Q195-A199 WeakPolarHBondContact O-CB 3.32Å; Q195-A199 PolarHBondContact O-N 3.03Å; Q195-I248 HydrophobicContact CG-CG2 3.49Å; Q195-I248 VanDerWaalsContact CG-CG2 3.49Å; Q195-I248 PolarHBondContact NE2-O 3.36Å; Q195-Y249 HydrophobicContact CB-CE1 4.44Å; Q195-Y249 HydrophobicContact CG-CE1 4.36Å; Q195-Y249 PolarHBondContact O-OH 3.18Å
196D91.7Very high88.1Confident79 Ų7945.9 Ų45.942%0.42225%0.245SC..Hα-helixtrans-65.3-43.2176.2-76.1-22.4000112.3Q192 L194 R200Q192-D196 VanDerWaalsContact O-CB 3.3Å; Q192-D196 WeakPolarHBondContact O-CB 3.41Å; Q192-D196 PolarHBondContact O-N 2.97Å; L194-D196 VanDerWaalsContact C-N 3.29Å; D196-R200 PolarHBondContact O-N 3.37Å; D196-R200 PolarHBondContact O-NH1 3.28Å
197I93.2Very high89.5Confident0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-64.3-47.9174.8-74.5169.7000110.5L166 R169 L170 E173 V174 F193 L194 A199 R200 A201L166-I197 HydrophobicContact CD1-CG2 3.82Å; R169-I197 HydrophobicContact CB-CG2 4.24Å; L170-I197 HydrophobicContact CD2-CD1 4.36Å; L170-I197 HydrophobicContact CD2-CG2 3.98Å; L170-I197 HydrophobicContact CG-CG2 4.23Å; E173-I197 HydrophobicContact CB-CD1 4.15Å; E173-I197 HydrophobicContact CB-CG1 4.43Å; V174-I197 HydrophobicContact CG2-CD1 3.95Å; F193-I197 HydrophobicContact CD2-CD1 4.2Å; F193-I197 HydrophobicContact CE1-CD1 4.1Å; F193-I197 HydrophobicContact CE2-CD1 3.5Å; F193-I197 HydrophobicContact CE2-CG1 4.09Å; F193-I197 HydrophobicContact CZ-CD1 3.46Å; F193-I197 VanDerWaalsContact CZ-CD1 3.46Å; F193-I197 WeakPolarHBondContact O-CG1 3.37Å; F193-I197 PolarHBondContact O-N 2.78Å; L194-I197 PolarHBondContact O-N 2.86Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.35Å; I197-R200 CarbonylContact O-C 3.56Å; I197-R200 PolarHBondContact O-N 3.08Å; I197-R200 VanDerWaalsContact O-N 3.13Å; I197-A201 PolarHBondContact O-N 2.81Å
198L93.3Very high90Very high1 Ų145.1 Ų45.11%0.00524%0.237CC..Hα-helixtrans-59.3-43.7177.6-74.4166000111.3L166 L194 R200 A201 Q202 L203 L245 I248 Y249L166-L198 HydrophobicContact CD1-CD2 3.79Å; L166-L198 HydrophobicContact CD1-CG 4.44Å; L166-L198 HydrophobicContact CD2-CD2 3.75Å; L166-L198 HydrophobicContact CG-CD2 4.41Å; L194-L198 WeakPolarHBondContact O-CG 3.35Å; L194-L198 PolarHBondContact O-N 3.2Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.21Å; L198-A201 CarbonylContact O-C 3.57Å; L198-A201 VanDerWaalsContact O-C 3.29Å; L198-A201 WeakPolarHBondContact O-CA 3.35Å; L198-A201 WeakPolarHBondContact O-CB 3.46Å; L198-A201 PolarHBondContact O-N 2.92Å; L198-Q202 PolarHBondContact O-N 3.17Å; L198-L203 CarbonylContact C-O 3.6Å; L198-L203 HydrophobicContact CB-CB 4.17Å; L198-L203 HydrophobicContact CD2-CB 4.07Å; L198-L203 HydrophobicContact CD2-CD1 3.62Å; L198-L203 HydrophobicContact CD2-CG 4.49Å; L198-L203 WeakPolarHBondContact O-CB 3.27Å; L198-L203 PolarHBondContact O-N 3.47Å; L198-L245 HydrophobicContact CD1-CD2 4.29Å; L198-L245 HydrophobicContact CD2-CD2 3.67Å; L198-I248 HydrophobicContact CD1-CB 4.27Å; L198-I248 HydrophobicContact CD1-CD1 3.81Å; L198-I248 HydrophobicContact CD1-CG2 3.76Å; L198-Y249 HydrophobicContact CB-CE2 4.24Å; L198-Y249 WeakPolarHBondContact CB-OH 3.46Å; L198-Y249 HydrophobicContact CD1-CE2 3.94Å
199A92.6Very high89.8Confident40 Ų4049.2 Ų49.233%0.33125%0.25SC..Hα-helixtrans-63.3-35.4175.600000112.9Q195 I197 A201 Q202 L203Q195-A199 WeakPolarHBondContact O-CB 3.32Å; Q195-A199 PolarHBondContact O-N 3.03Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.35Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-Q202 PolarHBondContact O-N 2.96Å; A199-Q202 VanDerWaalsContact O-N 3.14Å; A199-L203 PolarHBondContact N-O 3.16Å
200R94Very high89.6Confident110 Ų11048.6 Ų48.642%0.41526%0.258SS..Hα-helixtrans-71.4-22.4171.3-78.6-172.4-69.3-76.13.8113.8E173 D196 I197 L198 Q202E173-R200 VanDerWaalsContact CD-NH2 3.34Å; E173-R200 IonicContact OE1-CZ 2.78Å; E173-R200 IonicContact OE1-NE 3.45Å; E173-R200 PolarHBondContact OE1-NE 3.34Å; E173-R200 IonicContact OE1-NH2 2.55Å; E173-R200 PolarHBondContact OE1-NH2 2.82Å; E173-R200 VanDerWaalsContact OE1-NH2 3.14Å; E173-R200 IonicContact OE2-CZ 3.82Å; E173-R200 IonicContact OE2-NE 3.62Å; E173-R200 IonicContact OE2-NH2 2.65Å; E173-R200 PolarHBondContact OE2-NH2 2.92Å; D196-R200 PolarHBondContact O-N 3.37Å; D196-R200 PolarHBondContact O-NH1 3.28Å; I197-R200 CarbonylContact O-C 3.56Å; I197-R200 PolarHBondContact O-N 3.08Å; I197-R200 VanDerWaalsContact O-N 3.13Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.21Å; R200-Q202 VanDerWaalsContact C-N 3.27Å
201A94.1Very high89.6Confident7 Ų745.8 Ų45.86%0.05824%0.238CC..THydrogen-bonded Turntrans-87.612.916800000113.2L166 I197 L198 A199 L203L166-A201 HydrophobicContact CB-CB 3.89Å; L166-A201 HydrophobicContact CD1-CB 4.01Å; I197-A201 PolarHBondContact O-N 2.81Å; L198-A201 CarbonylContact O-C 3.57Å; L198-A201 VanDerWaalsContact O-C 3.29Å; L198-A201 WeakPolarHBondContact O-CA 3.35Å; L198-A201 WeakPolarHBondContact O-CB 3.46Å; L198-A201 PolarHBondContact O-N 2.92Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A201-L203 HydrophobicContact CB-CD1 4.38Å; A201-L203 PolarHBondContact O-N 3.05Å; A201-L203 VanDerWaalsContact O-N 3.09Å
202Q93.9Very high89.5Confident130 Ų13045.9 Ų45.961%0.60724%0.239SC*.THydrogen-bonded Turntrans60.613.8-179.2-53.2179.112.100114.8L162 L198 A199 R200 H204L162-Q202 HydrophobicContact CD2-CB 3.73Å; L198-Q202 PolarHBondContact O-N 3.17Å; A199-Q202 PolarHBondContact O-N 2.96Å; A199-Q202 VanDerWaalsContact O-N 3.14Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; Q202-H204 PolarHBondContact O-CD2 2.92Å
203L93Very high89.4Confident1 Ų146 Ų461%0.00524%0.242CC..  trans-82.1123169.8-71.2159.1000108.2L162 L166 L198 A199 A201 I211 F241 L245 Y249L162-L203 HydrophobicContact CB-CD2 4.06Å; L162-L203 HydrophobicContact CB-CG 4.28Å; L162-L203 HydrophobicContact CD1-CD2 4.03Å; L166-L203 HydrophobicContact CB-CD1 4.05Å; L166-L203 HydrophobicContact CD2-CD1 3.81Å; L166-L203 HydrophobicContact CG-CD1 4.35Å; L198-L203 CarbonylContact C-O 3.6Å; L198-L203 HydrophobicContact CB-CB 4.17Å; L198-L203 HydrophobicContact CD2-CB 4.07Å; L198-L203 HydrophobicContact CD2-CD1 3.62Å; L198-L203 HydrophobicContact CD2-CG 4.49Å; L198-L203 WeakPolarHBondContact O-CB 3.27Å; L198-L203 PolarHBondContact O-N 3.47Å; A199-L203 PolarHBondContact N-O 3.16Å; A201-L203 HydrophobicContact CB-CD1 4.38Å; A201-L203 PolarHBondContact O-N 3.05Å; A201-L203 VanDerWaalsContact O-N 3.09Å; L203-I211 HydrophobicContact CD2-CD1 3.72Å; L203-F241 HydrophobicContact CD1-CZ 4.05Å; L203-F241 HydrophobicContact CD2-CZ 4.43Å; L203-L245 HydrophobicContact CD1-CD2 4.38Å; L203-L245 HydrophobicContact CD2-CD1 4.11Å; L203-L245 HydrophobicContact CD2-CD2 4.49Å; L203-Y249 PolarHBondContact O-OH 2.87Å
204H89.7Confident89.4Confident80 Ų8045.4 Ų45.437%0.3724%0.239SC..  trans-134.2155.1-173.5-64.9-45.7000110.8Q202 N206 L207Q202-H204 PolarHBondContact O-CD2 2.92Å; H204-N206 VanDerWaalsContact C-N 3.26Å; H204-N206 VanDerWaalsContact CB-OD1 3.25Å; H204-N206 WeakPolarHBondContact CB-OD1 3.11Å; H204-N206 PolarHBondContact O-N 3.12Å; H204-N206 VanDerWaalsContact O-N 3.13Å; H204-L207 WeakPolarHBondContact O-CB 3.43Å; H204-L207 PolarHBondContact O-N 3.15Å
205P84.8Confident89.3Confident37 Ų3745.2 Ų45.224%0.2424%0.238CC..G310 helixtrans-52-40.9-173.4-26.731000114.4L207 C208 Y249P205-L207 PolarHBondContact O-N 3.45Å; P205-L207 VanDerWaalsContact O-N 3.15Å; P205-C208 WeakPolarHBondContact O-CB 3.5Å; P205-C208 PolarHBondContact O-N 2.68Å; P205-C208 VanDerWaalsContact O-N 3.1Å; P205-C208 PolarHBondContact O-SG 3.32Å; P205-Y249 HydrophobicContact CB-CD1 4.29Å; P205-Y249 HydrophobicContact CB-CG 4.23Å; P205-Y249 HydrophobicContact CG-CD1 3.61Å; P205-Y249 HydrophobicContact CG-CE1 3.97Å; P205-Y249 HydrophobicContact CG-CG 4.04Å
206N86.3Confident89.1Confident127 Ų12744.7 Ų44.768%0.67924%0.237SC*.G310 helixtrans-65.9-12.2-179.264.9-59000114.5H204H204-N206 VanDerWaalsContact C-N 3.26Å; H204-N206 VanDerWaalsContact CB-OD1 3.25Å; H204-N206 WeakPolarHBondContact CB-OD1 3.11Å; H204-N206 PolarHBondContact O-N 3.12Å; H204-N206 VanDerWaalsContact O-N 3.13Å
207L87.7Confident88.9Confident51 Ų5142.2 Ų42.227%0.26722%0.222SC..G310 helixtrans-87.6-15.6174.9-57.3-179.3000112.8L162 H204 P205 E209 G210 I211L162-L207 HydrophobicContact CD1-CD1 4.04Å; H204-L207 WeakPolarHBondContact O-CB 3.43Å; H204-L207 PolarHBondContact O-N 3.15Å; P205-L207 PolarHBondContact O-N 3.45Å; P205-L207 VanDerWaalsContact O-N 3.15Å; L207-E209 PolarHBondContact O-N 2.99Å; L207-G210 PolarHBondContact O-N 2.96Å; L207-I211 HydrophobicContact CB-CD1 3.75Å; L207-I211 HydrophobicContact CB-CG1 4.29Å; L207-I211 WeakPolarHBondContact O-CB 3.27Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.37Å; L207-I211 PolarHBondContact O-N 3.01Å
208C84.8Confident88.7Confident1 Ų142.2 Ų42.21%0.00722%0.222CC..Hα-helixtrans-63.2-38.6-168.8-61.30000113.5P205 S212 L253P205-C208 WeakPolarHBondContact O-CB 3.5Å; P205-C208 PolarHBondContact O-N 2.68Å; P205-C208 VanDerWaalsContact O-N 3.1Å; P205-C208 PolarHBondContact O-SG 3.32Å; C208-S212 VanDerWaalsContact O-CB 3.24Å; C208-S212 WeakPolarHBondContact O-CB 3.26Å; C208-S212 PolarHBondContact O-N 2.99Å; C208-S212 PolarHBondContact O-OG 3.3Å; C208-L253 HydrophobicContact CB-CD1 4Å
209E81.3Confident88.4Confident123 Ų12342.7 Ų42.758%0.57523%0.226SC*.Hα-helixtrans-64.9-50.9177.7-175.2173.1-160.800111L207 S212 L213L207-E209 PolarHBondContact O-N 2.99Å; E209-S212 PolarHBondContact O-N 3.06Å; E209-L213 PolarHBondContact O-N 3.11Å
210G86.1Confident88.1Confident37 Ų3744.4 Ų44.438%0.38124%0.235SC..Hα-helixtrans-62.3-46.2177.900000113.1L207 S212 L213 L214L207-G210 PolarHBondContact O-N 2.96Å; G210-S212 PolarHBondContact O-N 3.12Å; G210-L213 PolarHBondContact O-N 3Å; G210-L214 VanDerWaalsContact O-CB 3.27Å; G210-L214 WeakPolarHBondContact O-CB 3.23Å; G210-L214 PolarHBondContact O-N 3.13Å
211I89.4Confident87.8Confident12 Ų1239.9 Ų39.96%0.06222%0.218CC..Hα-helixtrans-60.6-34.6175.8-66.7173000111.1L159 L203 L207 A215 F241 L245L159-I211 HydrophobicContact CD1-CD1 4.12Å; L159-I211 HydrophobicContact CD1-CG1 4.05Å; L159-I211 HydrophobicContact CD1-CG2 3.83Å; L159-I211 HydrophobicContact CD2-CG2 4.19Å; L203-I211 HydrophobicContact CD2-CD1 3.72Å; L207-I211 HydrophobicContact CB-CD1 3.75Å; L207-I211 HydrophobicContact CB-CG1 4.29Å; L207-I211 WeakPolarHBondContact O-CB 3.27Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.37Å; L207-I211 PolarHBondContact O-N 3.01Å; I211-A215 VanDerWaalsContact O-CB 3.24Å; I211-A215 WeakPolarHBondContact O-CB 3.43Å; I211-A215 PolarHBondContact O-N 2.58Å; I211-F241 HydrophobicContact CG2-CD1 4.48Å; I211-F241 HydrophobicContact CG2-CE1 4.3Å; I211-L245 HydrophobicContact CB-CD1 4.41Å; I211-L245 HydrophobicContact CD1-CD1 3.72Å; I211-L245 HydrophobicContact CG2-CD1 3.92Å
212S84.6Confident87.5Confident3 Ų339.6 Ų39.62%0.02122%0.216CC..Hα-helixtrans-74.7-41.5178.3-58.90000113C208 E209 G210 L214 A215 D216 S242 N246C208-S212 VanDerWaalsContact O-CB 3.24Å; C208-S212 WeakPolarHBondContact O-CB 3.26Å; C208-S212 PolarHBondContact O-N 2.99Å; C208-S212 PolarHBondContact O-OG 3.3Å; E209-S212 PolarHBondContact O-N 3.06Å; G210-S212 PolarHBondContact O-N 3.12Å; S212-L214 VanDerWaalsContact C-N 3.34Å; S212-A215 PolarHBondContact O-N 2.96Å; S212-D216 PolarHBondContact O-N 3.08Å; S212-D216 VanDerWaalsContact O-N 3.09Å; S212-S242 WeakPolarHBondContact CB-OG 3.43Å; S212-S242 PolarHBondContact OG-OG 3.41Å; S212-N246 PolarHBondContact OG-ND2 3.48Å
213L86.8Confident87Confident70 Ų7036.2 Ų36.237%0.36620%0.204SC..Hα-helixtrans-59.1-47.7172.817761.6000110.7E209 G210 D216 Q217E209-L213 PolarHBondContact O-N 3.11Å; G210-L213 PolarHBondContact O-N 3Å; L213-D216 PolarHBondContact O-N 2.9Å; L213-Q217 WeakPolarHBondContact O-CG 3.5Å; L213-Q217 PolarHBondContact O-N 3.34Å
214L90Very high86.6Confident5 Ų539.6 Ų39.63%0.02623%0.225CC..Hα-helixtrans-63.6-40.8178.4-177.363.7000112.3V151 E155 L156 L159 G210 S212 D216 Q217 V218V151-L214 HydrophobicContact CG1-CD1 4.07Å; E155-L214 HydrophobicContact CB-CD1 4.41Å; E155-L214 HydrophobicContact CB-CD2 3.84Å; L156-L214 HydrophobicContact CB-CD1 4.48Å; L159-L214 HydrophobicContact CB-CD2 4.11Å; L159-L214 HydrophobicContact CD2-CD2 3.77Å; L159-L214 HydrophobicContact CD2-CG 4.38Å; G210-L214 VanDerWaalsContact O-CB 3.27Å; G210-L214 WeakPolarHBondContact O-CB 3.23Å; G210-L214 PolarHBondContact O-N 3.13Å; S212-L214 VanDerWaalsContact C-N 3.34Å; L214-D216 VanDerWaalsContact C-N 3.31Å; L214-D216 PolarHBondContact O-N 2.67Å; L214-Q217 PolarHBondContact O-N 3.29Å; L214-V218 HydrophobicContact CD1-CG2 4.35Å; L214-V218 WeakPolarHBondContact O-CB 3.18Å; L214-V218 VanDerWaalsContact O-CG2 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 3.44Å; L214-V218 PolarHBondContact O-N 3.43Å
215A88.6Confident86.1Confident0 Ų038.9 Ų38.90%022%0.221CC..Hα-helixtrans-62.1-37.6174.800000112.3I211 S212 S219 L238I211-A215 VanDerWaalsContact O-CB 3.24Å; I211-A215 WeakPolarHBondContact O-CB 3.43Å; I211-A215 PolarHBondContact O-N 2.58Å; S212-A215 PolarHBondContact O-N 2.96Å; A215-S219 WeakPolarHBondContact O-CB 3.2Å; A215-S219 PolarHBondContact O-N 3.07Å; A215-L238 HydrophobicContact CB-CD2 4.33Å; A215-L238 HydrophobicContact CB-CG 3.99Å
216D84.4Confident85.5Confident24 Ų2437.4 Ų37.413%0.12821%0.212CC..Hα-helixtrans-73.6-38.8174.7-98.711.2000112.5S212 L213 L214 S219 S220 Q239S212-D216 PolarHBondContact O-N 3.08Å; S212-D216 VanDerWaalsContact O-N 3.09Å; L213-D216 PolarHBondContact O-N 2.9Å; L214-D216 VanDerWaalsContact C-N 3.31Å; L214-D216 PolarHBondContact O-N 2.67Å; D216-S219 PolarHBondContact O-N 2.66Å; D216-S220 VanDerWaalsContact O-CB 3.31Å; D216-S220 WeakPolarHBondContact O-CB 3.4Å; D216-S220 PolarHBondContact O-N 3.01Å; D216-Q239 PolarHBondContact OD1-NE2 3.02Å
217Q88.2Confident84.3Confident27 Ų2739.8 Ų39.813%0.12622%0.219CC..Hα-helixtrans-60.5-45.8172.3-73169.6-28.200111.1D150 V151 L213 L214 S220 Y221D150-Q217 PolarHBondContact O-NE2 3.03Å; D150-Q217 PolarHBondContact O-OE1 3.17Å; D150-Q217 PolarHBondContact OD2-NE2 3.49Å; V151-Q217 HydrophobicContact CG2-CB 3.91Å; L213-Q217 WeakPolarHBondContact O-CG 3.5Å; L213-Q217 PolarHBondContact O-N 3.34Å; L214-Q217 PolarHBondContact O-N 3.29Å; Q217-S220 WeakPolarHBondContact O-CB 3.43Å; Q217-S220 PolarHBondContact O-N 2.96Å; Q217-Y221 WeakPolarHBondContact O-CB 3.46Å; Q217-Y221 PolarHBondContact O-N 3.36Å
218V88.8Confident82.8Confident0 Ų042 Ų420%024%0.238CC..Hα-helixtrans-66.4-42.8176.7170.60000111.3A103 V151 L156 L214 S220 Y221 L222 L238A103-V218 HydrophobicContact CB-CG1 3.69Å; V151-V218 HydrophobicContact CG1-CG2 3.73Å; V151-V218 HydrophobicContact CG2-CG2 4.2Å; L156-V218 HydrophobicContact CD1-CG2 4.04Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å; L214-V218 HydrophobicContact CD1-CG2 4.35Å; L214-V218 WeakPolarHBondContact O-CB 3.18Å; L214-V218 VanDerWaalsContact O-CG2 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 3.44Å; L214-V218 PolarHBondContact O-N 3.43Å; V218-S220 VanDerWaalsContact C-N 3.31Å; V218-S220 PolarHBondContact O-N 2.93Å; V218-Y221 PolarHBondContact O-N 3.23Å; V218-L222 HydrophobicContact CG1-CD1 3.76Å; V218-L222 HydrophobicContact CG1-CG 4.14Å; V218-L222 VanDerWaalsContact O-CB 3.29Å; V218-L222 WeakPolarHBondContact O-CB 3.2Å; V218-L222 VanDerWaalsContact O-CG 3.25Å; V218-L222 WeakPolarHBondContact O-CG 3.33Å; V218-L222 PolarHBondContact O-N 3.34Å; V218-L238 HydrophobicContact CB-CD2 3.82Å; V218-L238 HydrophobicContact CG1-CD2 3.6Å; V218-L238 HydrophobicContact CG2-CD2 4.3Å
219S86.6Confident81.6Confident12 Ų1243.9 Ų43.98%0.08425%0.252CS..Hα-helixtrans-61.4-39.2175.1-177.20000112.1A215 D216 T223 R234 Q239A215-S219 WeakPolarHBondContact O-CB 3.2Å; A215-S219 PolarHBondContact O-N 3.07Å; D216-S219 PolarHBondContact O-N 2.66Å; S219-T223 VanDerWaalsContact O-CB 3.29Å; S219-T223 WeakPolarHBondContact O-CB 3.34Å; S219-T223 PolarHBondContact O-N 3.02Å; S219-T223 PolarHBondContact O-OG1 2.64Å; S219-R234 PolarHBondContact OG-O 3.37Å; S219-Q239 PolarHBondContact OG-NE2 3.07Å
220S86.3Confident80.4Confident75 Ų7543.9 Ų43.952%0.52426%0.26SS..Hα-helixtrans-62.5-54.2173-170.50000111.6D216 Q217 V218 L222 T223 T224D216-S220 VanDerWaalsContact O-CB 3.31Å; D216-S220 WeakPolarHBondContact O-CB 3.4Å; D216-S220 PolarHBondContact O-N 3.01Å; Q217-S220 WeakPolarHBondContact O-CB 3.43Å; Q217-S220 PolarHBondContact O-N 2.96Å; V218-S220 VanDerWaalsContact C-N 3.31Å; V218-S220 PolarHBondContact O-N 2.93Å; S220-L222 PolarHBondContact O-N 2.88Å; S220-T223 WeakPolarHBondContact O-CB 3.32Å; S220-T223 PolarHBondContact O-N 2.63Å; S220-T223 VanDerWaalsContact O-N 3.11Å; S220-T224 PolarHBondContact O-N 3.18Å; S220-T224 PolarHBondContact O-OG1 3.37Å
221Y88.4Confident78.9Confident15 Ų1553.7 Ų53.76%0.05929%0.286CS..Hα-helixtrans-55.2-50.9177.6173.8-101.8000112.2M106 L107 E110 Q217 V218 T223 T224 K225M106-Y221 HydrophobicContact CB-CE1 4.17Å; L107-Y221 HydrophobicContact CD1-CE1 4.49Å; L107-Y221 HydrophobicContact CD2-CD1 4.44Å; L107-Y221 HydrophobicContact CD2-CD2 4.08Å; L107-Y221 HydrophobicContact CD2-CE1 3.92Å; L107-Y221 HydrophobicContact CD2-CE2 3.48Å; L107-Y221 VanDerWaalsContact CD2-CE2 3.48Å; L107-Y221 VanDerWaalsContact CD2-CZ 3.4Å; L107-Y221 HydrophobicContact CG-CD1 4.47Å; L107-Y221 HydrophobicContact CG-CE1 3.82Å; L107-Y221 HydrophobicContact CG-CE2 4.28Å; L107-Y221 PolarHBondContact N-OH 3.14Å; E110-Y221 VanDerWaalsContact CD-OH 3.23Å; E110-Y221 PolarHBondContact OE2-OH 2.94Å; Q217-Y221 WeakPolarHBondContact O-CB 3.46Å; Q217-Y221 PolarHBondContact O-N 3.36Å; V218-Y221 PolarHBondContact O-N 3.23Å; Y221-T223 VanDerWaalsContact C-N 3.29Å; Y221-T223 PolarHBondContact O-N 3.26Å; Y221-T224 PolarHBondContact O-N 3.38Å; Y221-K225 HydrophobicContact CD2-CG 4.5Å; Y221-K225 HydrophobicContact CE1-CG 4.25Å; Y221-K225 HydrophobicContact CE2-CD 4.37Å; Y221-K225 HydrophobicContact CE2-CG 4.19Å; Y221-K225 WeakPolarHBondContact O-CG 3.28Å; Y221-K225 PolarHBondContact O-N 2.98Å
222L87.2Confident77.6Confident2 Ų255.6 Ų55.61%0.0130%0.295CS..Hα-helixtrans-59.3-39.4177.3-73.7176.5000112E99 A103 M106 V218 S220 K225 A226E99-L222 HydrophobicContact CB-CD1 4.49Å; A103-L222 HydrophobicContact CB-CD1 4.45Å; A103-L222 HydrophobicContact CB-CD2 4.04Å; A103-L222 HydrophobicContact CB-CG 4.27Å; M106-L222 HydrophobicContact CE-CD2 3.35Å; V218-L222 HydrophobicContact CG1-CD1 3.76Å; V218-L222 HydrophobicContact CG1-CG 4.14Å; V218-L222 VanDerWaalsContact O-CB 3.29Å; V218-L222 WeakPolarHBondContact O-CB 3.2Å; V218-L222 VanDerWaalsContact O-CG 3.25Å; V218-L222 WeakPolarHBondContact O-CG 3.33Å; V218-L222 PolarHBondContact O-N 3.34Å; S220-L222 PolarHBondContact O-N 2.88Å; L222-K225 PolarHBondContact O-N 3.21Å; L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 2.96Å
223T84.3Confident76.9Confident59 Ų5958.2 Ų58.236%0.36231%0.314SS..Hα-helixtrans-65.6-43.4177.1-61.40000111.7S219 S220 Y221 K225 A226S219-T223 VanDerWaalsContact O-CB 3.29Å; S219-T223 WeakPolarHBondContact O-CB 3.34Å; S219-T223 PolarHBondContact O-N 3.02Å; S219-T223 PolarHBondContact O-OG1 2.64Å; S220-T223 WeakPolarHBondContact O-CB 3.32Å; S220-T223 PolarHBondContact O-N 2.63Å; S220-T223 VanDerWaalsContact O-N 3.11Å; Y221-T223 VanDerWaalsContact C-N 3.29Å; Y221-T223 PolarHBondContact O-N 3.26Å; T223-K225 PolarHBondContact O-N 3.24Å; T223-A226 PolarHBondContact O-N 3.46Å
224T83.5Confident76.4Confident72 Ų7261 Ų6144%0.44232%0.319SS..Hα-helixtrans-63.2-39.1176.1-55.50000112.3S220 Y221S220-T224 PolarHBondContact O-N 3.18Å; S220-T224 PolarHBondContact O-OG1 3.37Å; Y221-T224 PolarHBondContact O-N 3.38Å
225K80.3Confident76Confident65 Ų6560.8 Ų60.828%0.28332%0.318SS..Hα-helixtrans-73.8-32.1175.5-58.1-62.5176.5167.70112.4E110 Y221 L222 T223 E227 S228 M232E110-K225 WeakPolarHBondContact OE1-CE 3.32Å; E110-K225 IonicContact OE1-NZ 3.83Å; E110-K225 PolarHBondContact OE1-NZ 2.88Å; E110-K225 WeakPolarHBondContact OE2-CE 3.19Å; E110-K225 IonicContact OE2-NZ 3.69Å; E110-K225 PolarHBondContact OE2-NZ 3.26Å; Y221-K225 HydrophobicContact CD2-CG 4.5Å; Y221-K225 HydrophobicContact CE1-CG 4.25Å; Y221-K225 HydrophobicContact CE2-CD 4.37Å; Y221-K225 HydrophobicContact CE2-CG 4.19Å; Y221-K225 WeakPolarHBondContact O-CG 3.28Å; Y221-K225 PolarHBondContact O-N 2.98Å; L222-K225 PolarHBondContact O-N 3.21Å; T223-K225 PolarHBondContact O-N 3.24Å; K225-E227 PolarHBondContact O-N 2.91Å; K225-S228 PolarHBondContact O-N 2.92Å; K225-S228 PolarHBondContact O-OG 2.92Å; K225-M232 WeakPolarHBondContact O-CE 3.33Å
226A72.2Confident75.9Confident6 Ų666.3 Ų66.35%0.0535%0.347CS..Hα-helixtrans-68.2-9.8-179.500000114.7L222 T223 S228 S229 M232 R234L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 2.96Å; T223-A226 PolarHBondContact O-N 3.46Å; A226-S228 PolarHBondContact O-N 2.74Å; A226-S228 VanDerWaalsContact O-N 3.17Å; A226-S229 CarbonylContact O-C 3.46Å; A226-S229 PolarHBondContact O-N 3.49Å; A226-M232 HydrophobicContact CB-CB 3.8Å; A226-R234 HydrophobicContact CB-CG 4.49Å
227E60.6Low76.2Confident176 Ų17665.9 Ų65.982%0.82235%0.347SS*.THydrogen-bonded Turntrans-57.8-25.3168.7-62.1-165.6155.200112.2K225K225-E227 PolarHBondContact O-N 2.91Å
228S56.6Low76.2Confident97 Ų9764.6 Ų64.668%0.67834%0.341SS*.THydrogen-bonded Turntrans-79.4-18.2174.966.50000115.1K225 A226 M232K225-S228 PolarHBondContact O-N 2.92Å; K225-S228 PolarHBondContact O-OG 2.92Å; A226-S228 PolarHBondContact O-N 2.74Å; A226-S228 VanDerWaalsContact O-N 3.17Å; S228-M232 WeakPolarHBondContact OG-CE 3.39Å
229S58.6Low76.2Confident41 Ų4166.2 Ų66.229%0.28735%0.349SS..  trans-156.8132176.286.10000114.5A226 W231 M232A226-S229 CarbonylContact O-C 3.46Å; A226-S229 PolarHBondContact O-N 3.49Å; S229-W231 PolarHBondContact O-N 2.86Å; S229-W231 VanDerWaalsContact O-N 3.14Å; S229-M232 PolarHBondContact O-N 2.97Å; S229-M232 WeakPolarHBondContact OG-CE 3.25Å
230V57.8Low76.3Confident124 Ų12469.2 Ų69.275%0.75236%0.36SS*.THydrogen-bonded Turntrans-61.3-23.2179-178.90000113
231W54.3Low76.5Confident242 Ų24266 Ų6692%0.91734%0.337SS*.THydrogen-bonded Turntrans-90.3-3.5-174-55.6107.6000114.5S229S229-W231 PolarHBondContact O-N 2.86Å; S229-W231 VanDerWaalsContact O-N 3.14Å
232M61.3Low76.5Confident52 Ų5265.4 Ų65.426%0.25634%0.335SS..SBendtrans-76.7138.5177.3-93.7-167.9-91.800112.8M106 K225 A226 S228 S229M106-M232 HydrophobicContact SD-SD 4.22Å; K225-M232 WeakPolarHBondContact O-CE 3.33Å; A226-M232 HydrophobicContact CB-CB 3.8Å; S228-M232 WeakPolarHBondContact OG-CE 3.39Å; S229-M232 PolarHBondContact O-N 2.97Å; S229-M232 WeakPolarHBondContact OG-CE 3.25Å
233S69.2Low76.4Confident59 Ų5969.6 Ų69.641%0.41335%0.35SS..  trans-70.2136.8175.550.60000112E99E99-S233 WeakPolarHBondContact OE1-CB 3.38Å
234R77.6Confident76.6Confident128 Ų12867 Ų6748%0.48333%0.334SS..  trans-102.821.9-171.1-60.3-177.2-178.8-179.5-3.8114.7S219 A226 L236S219-R234 PolarHBondContact OG-O 3.37Å; A226-R234 HydrophobicContact CB-CG 4.49Å; R234-L236 HydrophobicContact CB-CG 4.43Å
235G81.2Confident76.8Confident0 Ų063.7 Ų63.70%031%0.314CS..SBendtrans7522.6-177.500000113.8E99 Q239E99-G235 VanDerWaalsContact CD-CA 3.42Å; E99-G235 WeakPolarHBondContact OE1-CA 3.33Å; E99-G235 PolarHBondContact OE1-N 2.95Å; E99-G235 WeakPolarHBondContact OE2-CA 3.49Å; G235-Q239 WeakPolarHBondContact O-CB 3.34Å; G235-Q239 WeakPolarHBondContact O-CG 3Å; G235-Q239 PolarHBondContact O-N 3.43Å
236L86.6Confident76.8Confident116 Ų11660.7 Ų60.761%0.60730%0.301SS*.Hα-helixtrans-77-33.5-173.4-69.1175.3000112.5E99 R234 K240E99-L236 PolarHBondContact OE1-N 2.9Å; E99-L236 PolarHBondContact OE2-N 2.94Å; E99-L236 VanDerWaalsContact OE2-N 3.09Å; R234-L236 HydrophobicContact CB-CG 4.43Å; L236-K240 WeakPolarHBondContact O-CB 3.49Å; L236-K240 PolarHBondContact O-N 2.93Å
237A89.9Confident77.2Confident16 Ų1660.5 Ų60.513%0.13230%0.299CS..Hα-helixtrans-74.7-36.1173.200000110.6A95 A96 E99 K240 F241A95-A237 HydrophobicContact CB-CB 3.85Å; A96-A237 HydrophobicContact CB-CB 3.96Å; A96-A237 WeakPolarHBondContact CB-O 3.27Å; E99-A237 HydrophobicContact CG-CB 4.48Å; E99-A237 WeakPolarHBondContact OE2-CA 3.46Å; E99-A237 WeakPolarHBondContact OE2-CB 3.16Å; E99-A237 PolarHBondContact OE2-N 3.17Å; A237-K240 CarbonylContact O-C 3.42Å; A237-K240 WeakPolarHBondContact O-CB 3.46Å; A237-K240 PolarHBondContact O-N 3.43Å; A237-F241 PolarHBondContact O-N 3.45Å
238L89.7Confident78.3Confident0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-66.3-40.5174-164.863.9000112.3E99 A100 L159 M163 A215 V218 K240 F241 S242E99-L238 PolarHBondContact OE2-N 3.35Å; A100-L238 HydrophobicContact CB-CD1 4.25Å; L159-L238 HydrophobicContact CD2-CD1 4.16Å; M163-L238 HydrophobicContact CE-CD1 3.97Å; M163-L238 HydrophobicContact SD-CD1 3.91Å; A215-L238 HydrophobicContact CB-CD2 4.33Å; A215-L238 HydrophobicContact CB-CG 3.99Å; V218-L238 HydrophobicContact CB-CD2 3.82Å; V218-L238 HydrophobicContact CG1-CD2 3.6Å; V218-L238 HydrophobicContact CG2-CD2 4.3Å; L238-K240 VanDerWaalsContact C-N 3.35Å; L238-F241 WeakPolarHBondContact O-CB 3.43Å; L238-F241 PolarHBondContact O-N 2.87Å; L238-S242 PolarHBondContact O-N 2.77Å
239Q87.2Confident79.6Confident34 Ų3448.1 Ų48.116%0.15923%0.23CC..Hα-helixtrans-65.4-35169.8-77.8179.8-15.700112.7D216 S219 G235 F241 S242 R243D216-Q239 PolarHBondContact OD1-NE2 3.02Å; S219-Q239 PolarHBondContact OG-NE2 3.07Å; G235-Q239 WeakPolarHBondContact O-CB 3.34Å; G235-Q239 WeakPolarHBondContact O-CG 3Å; G235-Q239 PolarHBondContact O-N 3.43Å; Q239-F241 VanDerWaalsContact C-N 3.32Å; Q239-S242 PolarHBondContact O-N 3.28Å; Q239-R243 PolarHBondContact O-N 3.29Å
240K89Confident80Confident75 Ų7546.1 Ų46.133%0.32622%0.217SC..Hα-helixtrans-63.4-38.2171.2-175.41761731780111.2F86 D92 L236 A237 L238 R243 L244F86-K240 HydrophobicContact CZ-CG 3.74Å; F86-K240 VanDerWaalsContact CZ-O 3.29Å; F86-K240 WeakPolarHBondContact CZ-O 3.44Å; D92-K240 HydrophobicContact CB-CD 4.48Å; D92-K240 IonicContact OD1-NZ 3.2Å; D92-K240 PolarHBondContact OD1-NZ 2.84Å; D92-K240 WeakPolarHBondContact OD2-CE 3.39Å; D92-K240 IonicContact OD2-NZ 2.72Å; D92-K240 PolarHBondContact OD2-NZ 2.93Å; L236-K240 WeakPolarHBondContact O-CB 3.49Å; L236-K240 PolarHBondContact O-N 2.93Å; A237-K240 CarbonylContact O-C 3.42Å; A237-K240 WeakPolarHBondContact O-CB 3.46Å; A237-K240 PolarHBondContact O-N 3.43Å; L238-K240 VanDerWaalsContact C-N 3.35Å; K240-R243 PolarHBondContact O-N 2.74Å; K240-L244 PolarHBondContact O-N 3.47Å
241F91.4Very high80.3Confident7 Ų743 Ų433%0.03120%0.195CC..Hα-helixtrans-67.9-43.7174.5179.9-103.8000113A96 L159 M163 L166 L203 I211 A237 L238 Q239 R243 L244 L245A96-F241 HydrophobicContact CB-CB 4.07Å; L159-F241 HydrophobicContact CD1-CE1 3.93Å; M163-F241 HydrophobicContact CE-CB 4.41Å; M163-F241 HydrophobicContact CE-CD1 3.96Å; M163-F241 HydrophobicContact CE-CD2 4.42Å; M163-F241 HydrophobicContact CE-CE1 4.39Å; M163-F241 HydrophobicContact CE-CG 3.97Å; M163-F241 HydrophobicContact CG-CD1 4.06Å; M163-F241 HydrophobicContact CG-CE1 3.53Å; M163-F241 HydrophobicContact CG-CE2 4.24Å; M163-F241 HydrophobicContact CG-CZ 3.63Å; M163-F241 HydrophobicContact SD-CD1 3.75Å; M163-F241 HydrophobicContact SD-CE1 3.79Å; M163-F241 HydrophobicContact SD-CG 4.37Å; M163-F241 HydrophobicContact SD-CZ 4.43Å; L166-F241 HydrophobicContact CD2-CE2 3.66Å; L166-F241 HydrophobicContact CD2-CZ 4.22Å; L203-F241 HydrophobicContact CD1-CZ 4.05Å; L203-F241 HydrophobicContact CD2-CZ 4.43Å; I211-F241 HydrophobicContact CG2-CD1 4.48Å; I211-F241 HydrophobicContact CG2-CE1 4.3Å; A237-F241 PolarHBondContact O-N 3.45Å; L238-F241 WeakPolarHBondContact O-CB 3.43Å; L238-F241 PolarHBondContact O-N 2.87Å; Q239-F241 VanDerWaalsContact C-N 3.32Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 2.68Å; F241-L244 HydrophobicContact CD2-CD2 4.18Å; F241-L244 HydrophobicContact CE2-CD2 4.32Å; F241-L244 WeakPolarHBondContact O-CB 3.35Å; F241-L244 PolarHBondContact O-N 3.26Å; F241-L245 HydrophobicContact CD1-CD1 4.46Å; F241-L245 HydrophobicContact CE1-CD1 3.73Å; F241-L245 HydrophobicContact CE1-CG 4.29Å; F241-L245 HydrophobicContact CE2-CD2 4.44Å; F241-L245 HydrophobicContact CZ-CD1 3.9Å; F241-L245 HydrophobicContact CZ-CD2 4.14Å; F241-L245 HydrophobicContact CZ-CG 4.12Å; F241-L245 PolarHBondContact O-N 3.41Å
242S88.7Confident80.3Confident3 Ų334.4 Ų34.42%0.02117%0.172CC..Hα-helixtrans-55.6-43.7170.6154.50000111.4S212 L238 Q239 L244 L245 N246S212-S242 WeakPolarHBondContact CB-OG 3.43Å; S212-S242 PolarHBondContact OG-OG 3.41Å; L238-S242 PolarHBondContact O-N 2.77Å; Q239-S242 PolarHBondContact O-N 3.28Å; S242-L244 PolarHBondContact O-N 3.43Å; S242-L245 PolarHBondContact O-N 2.63Å; S242-N246 PolarHBondContact O-N 2.86Å; S242-N246 VanDerWaalsContact O-N 3.09Å; S242-N246 PolarHBondContact O-ND2 3.01Å; S242-N246 PolarHBondContact OG-ND2 2.79Å
243R84.7Confident79.8Confident90 Ų9034.4 Ų34.434%0.3417%0.173SC..Hα-helixtrans-64.7-37.5177.8-170.6170.4-177-168.82.2113.3D34 T36 F86 Q239 K240 F241 L245 N246 V247D34-R243 IonicContact OD1-NH2 3.74Å; D34-R243 PolarHBondContact OD1-NH2 2.68Å; D34-R243 IonicContact OD2-CZ 3.34Å; D34-R243 VanDerWaalsContact OD2-CZ 3.31Å; D34-R243 IonicContact OD2-NE 2.94Å; D34-R243 IonicContact OD2-NH1 3.19Å; D34-R243 IonicContact OD2-NH2 2.71Å; D34-R243 PolarHBondContact OD2-NH2 3.16Å; T36-R243 HydrophobicContact CG2-CG 4.07Å; T36-R243 PolarHBondContact OG1-NE 3.15Å; F86-R243 HydrophobicContact CD2-CG 4.13Å; F86-R243 HydrophobicContact CE2-CB 3.92Å; F86-R243 HydrophobicContact CE2-CG 3.7Å; F86-R243 HydrophobicContact CZ-CB 4.49Å; Q239-R243 PolarHBondContact O-N 3.29Å; K240-R243 PolarHBondContact O-N 2.74Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 2.68Å; R243-L245 VanDerWaalsContact C-N 3.35Å; R243-L245 PolarHBondContact O-N 3.07Å; R243-N246 PolarHBondContact O-N 3.06Å; R243-V247 HydrophobicContact CG-CG2 4.34Å; R243-V247 WeakPolarHBondContact O-CG2 3.21Å; R243-V247 PolarHBondContact O-N 3.44Å
244L88.4Confident78.8Confident4 Ų433.5 Ų33.52%0.02117%0.169CC..Hα-helixtrans-54-50.4173.8173.965.8000111.3F86 F88 K240 F241 S242 V247 I248F86-L244 HydrophobicContact CD1-CB 4.08Å; F86-L244 HydrophobicContact CD1-CD1 3.42Å; F86-L244 VanDerWaalsContact CD1-CD1 3.42Å; F86-L244 HydrophobicContact CD1-CG 4.35Å; F86-L244 HydrophobicContact CE1-CB 3.62Å; F86-L244 HydrophobicContact CE1-CD1 3.69Å; F86-L244 HydrophobicContact CE1-CG 4.2Å; F86-L244 HydrophobicContact CG-CD1 4.33Å; F86-L244 HydrophobicContact CZ-CB 4Å; F88-L244 HydrophobicContact CD1-CD1 3.53Å; F88-L244 HydrophobicContact CD1-CD2 4.22Å; F88-L244 HydrophobicContact CE1-CD1 3.46Å; F88-L244 VanDerWaalsContact CE1-CD1 3.46Å; F88-L244 HydrophobicContact CE1-CD2 4.08Å; F88-L244 HydrophobicContact CE1-CG 4.45Å; F88-L244 HydrophobicContact CE2-CD2 4.41Å; F88-L244 HydrophobicContact CG-CD1 4.41Å; F88-L244 HydrophobicContact CG-CD2 4.44Å; F88-L244 HydrophobicContact CZ-CD1 4.31Å; F88-L244 HydrophobicContact CZ-CD2 4.17Å; K240-L244 PolarHBondContact O-N 3.47Å; F241-L244 HydrophobicContact CD2-CD2 4.18Å; F241-L244 HydrophobicContact CE2-CD2 4.32Å; F241-L244 WeakPolarHBondContact O-CB 3.35Å; F241-L244 PolarHBondContact O-N 3.26Å; S242-L244 PolarHBondContact O-N 3.43Å; L244-V247 PolarHBondContact O-N 2.89Å; L244-I248 HydrophobicContact CD1-CD1 3.46Å; L244-I248 VanDerWaalsContact CD1-CD1 3.46Å; L244-I248 HydrophobicContact CD1-CG1 4.46Å; L244-I248 HydrophobicContact CG-CD1 3.93Å; L244-I248 WeakPolarHBondContact O-CD1 3.46Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.14Å
245L87.9Confident77.2Confident2 Ų233.8 Ų33.81%0.0119%0.185CC..Hα-helixtrans-64.7-45.7-179.9-60.2-179.5000111.9L198 L203 I211 F241 S242 R243 V247 I248 Y249L198-L245 HydrophobicContact CD1-CD2 4.29Å; L198-L245 HydrophobicContact CD2-CD2 3.67Å; L203-L245 HydrophobicContact CD1-CD2 4.38Å; L203-L245 HydrophobicContact CD2-CD1 4.11Å; L203-L245 HydrophobicContact CD2-CD2 4.49Å; I211-L245 HydrophobicContact CB-CD1 4.41Å; I211-L245 HydrophobicContact CD1-CD1 3.72Å; I211-L245 HydrophobicContact CG2-CD1 3.92Å; F241-L245 HydrophobicContact CD1-CD1 4.46Å; F241-L245 HydrophobicContact CE1-CD1 3.73Å; F241-L245 HydrophobicContact CE1-CG 4.29Å; F241-L245 HydrophobicContact CE2-CD2 4.44Å; F241-L245 HydrophobicContact CZ-CD1 3.9Å; F241-L245 HydrophobicContact CZ-CD2 4.14Å; F241-L245 HydrophobicContact CZ-CG 4.12Å; F241-L245 PolarHBondContact O-N 3.41Å; S242-L245 PolarHBondContact O-N 2.63Å; R243-L245 VanDerWaalsContact C-N 3.35Å; R243-L245 PolarHBondContact O-N 3.07Å; L245-V247 VanDerWaalsContact C-N 3.31Å; L245-V247 PolarHBondContact O-N 3.3Å; L245-I248 PolarHBondContact O-N 3.2Å; L245-Y249 PolarHBondContact O-N 3.03Å
246N80.7Confident75.5Confident2 Ų235.9 Ų35.91%0.01121%0.207CC..Hα-helixtrans-61.3-35.4179.9-75.7-47.8000113.1T36 N40 S212 S242 R243 G250T36-N246 HydrophobicContact CG2-CB 3.81Å; N40-N246 PolarHBondContact ND2-OD1 2.91Å; S212-N246 PolarHBondContact OG-ND2 3.48Å; S242-N246 PolarHBondContact O-N 2.86Å; S242-N246 VanDerWaalsContact O-N 3.09Å; S242-N246 PolarHBondContact O-ND2 3.01Å; S242-N246 PolarHBondContact OG-ND2 2.79Å; R243-N246 PolarHBondContact O-N 3.06Å; N246-G250 WeakPolarHBondContact O-CA 3.45Å; N246-G250 PolarHBondContact O-N 3.36Å; N246-G250 VanDerWaalsContact O-N 3.08Å
247V80.5Confident73.4Confident3 Ų342.2 Ų42.22%0.01822%0.223CC..Hα-helixtrans-71.7-41.1175.2172.20000111.6A84 F86 R243 L244 L245 Y293A84-V247 VanDerWaalsContact O-CG1 3.27Å; A84-V247 WeakPolarHBondContact O-CG1 3.4Å; F86-V247 HydrophobicContact CB-CB 4.33Å; F86-V247 HydrophobicContact CB-CG1 4.06Å; F86-V247 HydrophobicContact CB-CG2 4.47Å; F86-V247 HydrophobicContact CD2-CG2 4.32Å; R243-V247 HydrophobicContact CG-CG2 4.34Å; R243-V247 WeakPolarHBondContact O-CG2 3.21Å; R243-V247 PolarHBondContact O-N 3.44Å; L244-V247 PolarHBondContact O-N 2.89Å; L245-V247 VanDerWaalsContact C-N 3.31Å; L245-V247 PolarHBondContact O-N 3.3Å; V247-Y293 HydrophobicContact CG1-CD1 4.1Å; V247-Y293 HydrophobicContact CG1-CE1 4.28Å
248I84Confident71.2Confident3 Ų342.8 Ų42.82%0.01523%0.226CC..Hα-helixtrans-75.7-33.8-175.6-66.6164.7000112.6L194 Q195 L198 L244 L245 Y293L194-I248 HydrophobicContact CD2-CD1 3.43Å; L194-I248 VanDerWaalsContact CD2-CD1 3.43Å; L194-I248 HydrophobicContact CD2-CG1 4.34Å; L194-I248 HydrophobicContact CG-CD1 3.89Å; Q195-I248 HydrophobicContact CG-CG2 3.49Å; Q195-I248 VanDerWaalsContact CG-CG2 3.49Å; Q195-I248 PolarHBondContact NE2-O 3.36Å; L198-I248 HydrophobicContact CD1-CB 4.27Å; L198-I248 HydrophobicContact CD1-CD1 3.81Å; L198-I248 HydrophobicContact CD1-CG2 3.76Å; L244-I248 HydrophobicContact CD1-CD1 3.46Å; L244-I248 VanDerWaalsContact CD1-CD1 3.46Å; L244-I248 HydrophobicContact CD1-CG1 4.46Å; L244-I248 HydrophobicContact CG-CD1 3.93Å; L244-I248 WeakPolarHBondContact O-CD1 3.46Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.14Å; L245-I248 PolarHBondContact O-N 3.2Å; I248-Y293 HydrophobicContact CB-CE1 4.39Å; I248-Y293 HydrophobicContact CG1-CD1 3.82Å; I248-Y293 HydrophobicContact CG1-CD2 4.23Å; I248-Y293 HydrophobicContact CG1-CE1 3.8Å; I248-Y293 HydrophobicContact CG1-CE2 4.22Å; I248-Y293 HydrophobicContact CG1-CG 4.04Å
249Y81.9Confident68.9Low9 Ų947.9 Ų47.94%0.03526%0.261CS..Hα-helixtrans-103.83.4-178.6-68.5-52.3000114.9Q195 L198 L203 P205 L245 D251 S252 L253Q195-Y249 HydrophobicContact CB-CE1 4.44Å; Q195-Y249 HydrophobicContact CG-CE1 4.36Å; Q195-Y249 PolarHBondContact O-OH 3.18Å; L198-Y249 HydrophobicContact CB-CE2 4.24Å; L198-Y249 WeakPolarHBondContact CB-OH 3.46Å; L198-Y249 HydrophobicContact CD1-CE2 3.94Å; L203-Y249 PolarHBondContact O-OH 2.87Å; P205-Y249 HydrophobicContact CB-CD1 4.29Å; P205-Y249 HydrophobicContact CB-CG 4.23Å; P205-Y249 HydrophobicContact CG-CD1 3.61Å; P205-Y249 HydrophobicContact CG-CE1 3.97Å; P205-Y249 HydrophobicContact CG-CG 4.04Å; L245-Y249 PolarHBondContact O-N 3.03Å; Y249-D251 PolarHBondContact O-N 2.87Å; Y249-D251 VanDerWaalsContact O-N 3.16Å; Y249-S252 WeakPolarHBondContact O-CB 3.24Å; Y249-S252 PolarHBondContact O-N 3.29Å; Y249-L253 PolarHBondContact O-N 3.13Å; Y249-L253 VanDerWaalsContact O-N 3.17Å
250G68.9Low67Low0 Ų049.5 Ų49.50%029%0.287CS..Hα-helixtrans-55.7-34.2-178.600000114.8L39 N246 L253 A254L39-G250 VanDerWaalsContact CD2-O 3.23Å; L39-G250 WeakPolarHBondContact CD2-O 3.39Å; N246-G250 WeakPolarHBondContact O-CA 3.45Å; N246-G250 PolarHBondContact O-N 3.36Å; N246-G250 VanDerWaalsContact O-N 3.08Å; G250-L253 PolarHBondContact O-N 2.71Å; G250-A254 PolarHBondContact O-N 3.31Å
251D62.4Low65.1Low58 Ų5851.5 Ų51.531%0.3130%0.296SS..Hα-helixtrans-66.9-39.1174.8-168.640.4000112.4Y249 L253 A254 V262 Y300Y249-D251 PolarHBondContact O-N 2.87Å; Y249-D251 VanDerWaalsContact O-N 3.16Å; D251-L253 VanDerWaalsContact C-N 3.26Å; D251-L253 PolarHBondContact O-N 2.83Å; D251-A254 PolarHBondContact O-N 3.27Å; D251-V262 HydrophobicContact CB-CG1 4.18Å; D251-V262 VanDerWaalsContact CG-CG1 3.44Å; D251-V262 WeakPolarHBondContact OD1-CG1 3.45Å; D251-Y300 HydrophobicContact CB-CE2 4.45Å
252S55.7Low63.5Low62 Ų6252.4 Ų52.443%0.43430%0.302SS..Hα-helixtrans-70.7-21.8176.8-55.20000113.5Y249Y249-S252 WeakPolarHBondContact O-CB 3.24Å; Y249-S252 PolarHBondContact O-N 3.29Å
253L49.3Very low62.2Low52 Ų5254.8 Ų54.827%0.27232%0.318SS..Hα-helixtrans-88-16.6175.6-68.1166000112.5L39 C208 Y249 G250 D251 T255L39-L253 HydrophobicContact CD2-CB 3.9Å; C208-L253 HydrophobicContact CB-CD1 4Å; Y249-L253 PolarHBondContact O-N 3.13Å; Y249-L253 VanDerWaalsContact O-N 3.17Å; G250-L253 PolarHBondContact O-N 2.71Å; D251-L253 VanDerWaalsContact C-N 3.26Å; D251-L253 PolarHBondContact O-N 2.83Å; L253-T255 PolarHBondContact O-N 3.16Å
254A50.2Low61.2Low40 Ų4051.1 Ų51.133%0.33131%0.308SS..  trans-77.751.1-179.800000113.4L39 G250 D251 G256L39-A254 HydrophobicContact CD2-CB 4.36Å; G250-A254 PolarHBondContact O-N 3.31Å; D251-A254 PolarHBondContact O-N 3.27Å; A254-G256 VanDerWaalsContact C-N 3.34Å; A254-G256 PolarHBondContact O-N 2.6Å
255T42.4Very low60.5Low133 Ų13354 Ų5482%0.81633%0.326SS*.  trans-73.476.7-174.3520000113.5L253L253-T255 PolarHBondContact O-N 3.16Å
256G45.2Very low60.4Low44 Ų4454 Ų5445%0.45433%0.326SS..SBendtrans147.814016500000114.3A254 C258A254-G256 VanDerWaalsContact C-N 3.34Å; A254-G256 PolarHBondContact O-N 2.6Å; G256-C258 PolarHBondContact O-N 3.47Å
257R43.1Very low60.8Low249 Ų24954.1 Ų54.194%0.9433%0.326SS*.SBendtrans67.4-32.3174.5-52179.4-177.5-174.4-0.8117.2
258C44.5Very low61.3Low29 Ų2955.7 Ų55.720%0.19633%0.333CS..  trans-102.2-0.7-174-67.20000115.7G256 G260 F261 S307G256-C258 PolarHBondContact O-N 3.47Å; C258-G260 PolarHBondContact O-N 2.81Å; C258-F261 PolarHBondContact O-N 3.21Å; C258-S307 WeakPolarHBondContact SG-CB 3.29Å
259S41.9Very low61.7Low106 Ų10655.6 Ų55.674%0.74133%0.332SS*.THydrogen-bonded Turntrans-70.834.1-169.867.30000116.4
260G46.2Very low62.2Low68 Ų6856.6 Ų56.670%0.70134%0.336SS*.THydrogen-bonded Turntrans-142.7-4.6176.900000115C258C258-G260 PolarHBondContact O-N 2.81Å
261F49.6Very low63.2Low117 Ų11756.8 Ų56.851%0.51334%0.337SS..THydrogen-bonded Turntrans-105.7-15.1-178.7-79.6-92.6000114.2C258 S303C258-F261 PolarHBondContact O-N 3.21Å; F261-S303 WeakPolarHBondContact CB-OG 3.32Å
262V56.7Low64.3Low27 Ų2755.7 Ų55.716%0.16433%0.333CS..  trans-112.1146.4179.5172.50000109.7D251 Y300D251-V262 HydrophobicContact CB-CG1 4.18Å; D251-V262 VanDerWaalsContact CG-CG1 3.44Å; D251-V262 WeakPolarHBondContact OD1-CG1 3.45Å; V262-Y300 HydrophobicContact CB-CD2 4.23Å; V262-Y300 HydrophobicContact CG1-CD2 3.51Å; V262-Y300 HydrophobicContact CG1-CE2 3.77Å; V262-Y300 HydrophobicContact CG2-CD2 3.62Å; V262-Y300 HydrophobicContact CG2-CE2 4.27Å; V262-Y300 HydrophobicContact CG2-CG 4.44Å
263S62.6Low65.5Low52 Ų5256.6 Ų56.636%0.36434%0.34SS..  trans-147.2147166.1-174.10000110T265 D266S263-T265 WeakPolarHBondContact CB-OG1 3.3Å; S263-T265 PolarHBondContact O-N 2.89Å; S263-T265 PolarHBondContact OG-OG1 3.44Å; S263-D266 WeakPolarHBondContact O-CB 3.43Å; S263-D266 PolarHBondContact O-N 3.32Å
264A62.6Low66.4Low14 Ų1458.2 Ų58.212%0.11635%0.346CS..G310 helixtrans-59.7-7.6171.900000114Q192 D266 F267Q192-A264 HydrophobicContact CG-CB 4.3Å; A264-D266 VanDerWaalsContact C-N 3.28Å; A264-F267 PolarHBondContact O-N 3.07Å
265T74.4Confident66.7Low65 Ų6565.1 Ų65.140%0.39937%0.369SS..G310 helixtrans-67.8-23.9167.259.10000113.6S263 F267 K268 H508S263-T265 WeakPolarHBondContact CB-OG1 3.3Å; S263-T265 PolarHBondContact O-N 2.89Å; S263-T265 PolarHBondContact OG-OG1 3.44Å; T265-F267 PolarHBondContact O-N 3.2Å; T265-K268 PolarHBondContact O-NZ 2.84Å; T265-H508 PolarHBondContact O-CE1 2.76Å
266D85Confident66.6Low2 Ų263.7 Ų63.71%0.01136%0.364CS..G310 helixtrans-72.1-11.2175.4-72.3-40.9000114.1S263 A264 F296 S297 R331 H508S263-D266 WeakPolarHBondContact O-CB 3.43Å; S263-D266 PolarHBondContact O-N 3.32Å; A264-D266 VanDerWaalsContact C-N 3.28Å; D266-F296 PolarHBondContact O-N 3.12Å; D266-S297 VanDerWaalsContact CG-CB 3.43Å; D266-R331 VanDerWaalsContact CG-NH1 3.28Å; D266-R331 IonicContact OD1-CZ 2.85Å; D266-R331 VanDerWaalsContact OD1-CZ 3.29Å; D266-R331 IonicContact OD1-NH1 3.81Å; D266-R331 PolarHBondContact OD1-NH1 3.07Å; D266-R331 IonicContact OD1-NH2 3.11Å; D266-R331 PolarHBondContact OD1-NH2 3.09Å; D266-R331 IonicContact OD2-CZ 3.77Å; D266-R331 IonicContact OD2-NH1 3.41Å; D266-R331 PolarHBondContact OD2-NH1 3.49Å; D266-R331 IonicContact OD2-NH2 2.71Å; D266-H508 WeakPolarHBondContact CA-CE1 3.41Å; D266-H508 VanDerWaalsContact CG-CE1 3.48Å; D266-H508 PolarHBondContact N-CE1 3.37Å; D266-H508 VanDerWaalsContact N-CE1 3.28Å; D266-H508 IonicContact OD1-CE1 3.9Å; D266-H508 PolarHBondContact OD1-CE1 3.32Å; D266-H508 IonicContact OD1-NE2 3.95Å; D266-H508 PolarHBondContact OD1-NE2 2.84Å
267F89.6Confident66.5Low4 Ų464 Ų642%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-107.2146.6178.2-66.2-93000111.3G191 A264 T265 Y293 W294 C295 Y300G191-F267 PolarHBondContact N-O 3.18Å; A264-F267 PolarHBondContact O-N 3.07Å; T265-F267 PolarHBondContact O-N 3.2Å; F267-Y293 HydrophobicContact CB-CE1 4.29Å; F267-Y293 HydrophobicContact CB-CE2 4.09Å; F267-Y293 AromaticContact CD1-CD1 3.82Å; F267-Y293 HydrophobicContact CD1-CD1 3.82Å; F267-Y293 AromaticContact CD1-CE1 3.18Å; F267-Y293 HydrophobicContact CD1-CE1 3.18Å; F267-Y293 HydrophobicContact CD1-CE2 4.45Å; F267-Y293 AromaticContact CD1-CZ 3.56Å; F267-Y293 HydrophobicContact CE1-CD1 4.24Å; F267-Y293 AromaticContact CE1-CE1 3.55Å; F267-Y293 HydrophobicContact CE1-CE1 3.55Å; F267-Y293 AromaticContact CG-CE1 3.86Å; F267-Y293 HydrophobicContact CG-CE1 3.86Å; F267-Y293 HydrophobicContact CG-CE2 4.5Å; F267-Y293 AromaticContact CG-CZ 3.72Å; F267-Y293 HydrophobicContact CZ-CE1 4.48Å; F267-W294 CarbonylContact C-O 3.57Å; F267-W294 VanDerWaalsContact CA-O 3.28Å; F267-W294 WeakPolarHBondContact CA-O 3.45Å; F267-C295 HydrophobicContact CD1-CB 3.84Å; F267-C295 HydrophobicContact CE1-CB 3.54Å; F267-C295 HydrophobicContact CZ-CB 4.14Å; F267-Y300 AromaticContact CE2-CD2 3.92Å; F267-Y300 HydrophobicContact CE2-CD2 3.92Å; F267-Y300 HydrophobicContact CE2-CE2 4.05Å; F267-Y300 HydrophobicContact CE2-CG 4.47Å; F267-Y300 HydrophobicContact CZ-CD1 4.29Å; F267-Y300 AromaticContact CZ-CD2 3.87Å; F267-Y300 HydrophobicContact CZ-CD2 3.87Å; F267-Y300 HydrophobicContact CZ-CE1 4.28Å; F267-Y300 AromaticContact CZ-CE2 3.89Å; F267-Y300 HydrophobicContact CZ-CE2 3.89Å; F267-Y300 HydrophobicContact CZ-CG 4.09Å
268K91.6Very high66.2Low36 Ų3661.3 Ų61.316%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-129.3146.3168-50.2-65.9173.6-135.40110.1F189 T265 W294 F296F189-K268 CarbonylContact O-C 3.55Å; F189-K268 VanDerWaalsContact O-CA 3.27Å; F189-K268 WeakPolarHBondContact O-CA 3.4Å; T265-K268 PolarHBondContact O-NZ 2.84Å; K268-W294 PolarHBondContact N-O 3.16Å; K268-W294 PolarHBondContact O-N 3.02Å; K268-F296 HydrophobicContact CB-CD2 4.45Å; K268-F296 HydrophobicContact CB-CE2 3.96Å; K268-F296 HydrophobicContact CG-CD2 3.77Å; K268-F296 HydrophobicContact CG-CE2 3.6Å
269V92.4Very high65.9Low0 Ų066.3 Ų66.30%039%0.392CS..EExtended strand (participates in β ladder)trans-96.1121.4166.2-1710000107.7A188 F189 F193 L194 L271 V291 N292 Y293A188-V269 CarbonylContact C-O 3.58Å; A188-V269 VanDerWaalsContact CA-O 3.3Å; A188-V269 WeakPolarHBondContact CA-O 3.29Å; F189-V269 HydrophobicContact CB-CB 4.3Å; F189-V269 PolarHBondContact N-O 3.33Å; F189-V269 PolarHBondContact O-N 2.91Å; F193-V269 HydrophobicContact CB-CG2 4.26Å; F193-V269 HydrophobicContact CD1-CB 4.15Å; F193-V269 HydrophobicContact CD1-CG1 4.13Å; F193-V269 HydrophobicContact CD1-CG2 4.25Å; L194-V269 HydrophobicContact CB-CG2 3.7Å; V269-L271 HydrophobicContact CG1-CD2 3.95Å; V269-V291 HydrophobicContact CG1-CG1 3.74Å; V269-N292 CarbonylContact C-O 3.35Å; V269-N292 WeakPolarHBondContact CA-O 3.5Å; V269-Y293 HydrophobicContact CG2-CD2 4.17Å
270Y91.9Very high65.7Low30 Ų3066.1 Ų66.112%0.11840%0.397CS..EExtended strand (participates in β ladder)trans-117.6129173.2174.7-124.2000111P186 A188 C272 N292 W294 P500 L504P186-Y270 HydrophobicContact CB-CD2 4.2Å; P186-Y270 HydrophobicContact CB-CE2 3.39Å; A188-Y270 HydrophobicContact CB-CD2 4.31Å; Y270-C272 WeakPolarHBondContact CE1-SG 3.36Å; Y270-N292 PolarHBondContact N-O 3.34Å; Y270-N292 WeakPolarHBondContact O-CB 3.41Å; Y270-N292 PolarHBondContact O-N 2.77Å; Y270-N292 PolarHBondContact O-ND2 2.87Å; Y270-W294 HydrophobicContact CD1-CE3 4.37Å; Y270-W294 AromaticContact CD1-CH2 3.4Å; Y270-W294 HydrophobicContact CD1-CH2 3.4Å; Y270-W294 HydrophobicContact CD1-CZ2 4.23Å; Y270-W294 AromaticContact CD1-CZ3 3.46Å; Y270-W294 HydrophobicContact CD1-CZ3 3.46Å; Y270-W294 VanDerWaalsContact CD1-CZ3 3.46Å; Y270-W294 HydrophobicContact CE1-CH2 4.01Å; Y270-W294 HydrophobicContact CE1-CZ3 4.32Å; Y270-W294 HydrophobicContact CG-CH2 4.35Å; Y270-W294 AromaticContact CG-CZ3 4Å; Y270-W294 HydrophobicContact CG-CZ3 4Å; Y270-P500 HydrophobicContact CD1-CB 3.9Å; Y270-P500 HydrophobicContact CE1-CB 3.39Å; Y270-P500 HydrophobicContact CE1-CG 3.57Å; Y270-P500 HydrophobicContact CE2-CB 4.22Å; Y270-P500 HydrophobicContact CG-CB 4.45Å; Y270-P500 WeakPolarHBondContact OH-CG 3.24Å; Y270-L504 HydrophobicContact CG-CD1 4.34Å
271L91Very high65.4Low4 Ų467.7 Ų67.72%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-102.6135.4-174.6-52.6-179000111.7V174 K177 L178 T187 F189 V269 V291V174-L271 HydrophobicContact CG1-CD1 3.59Å; V174-L271 HydrophobicContact CG1-CD2 3.56Å; V174-L271 HydrophobicContact CG1-CG 4.14Å; K177-L271 HydrophobicContact CB-CD1 4.42Å; L178-L271 HydrophobicContact CD1-CB 4.28Å; L178-L271 HydrophobicContact CD2-CB 3.7Å; L178-L271 HydrophobicContact CG-CB 4.06Å; L178-L271 HydrophobicContact CG-CD1 4.33Å; T187-L271 PolarHBondContact O-N 3.02Å; F189-L271 HydrophobicContact CD2-CD1 4.3Å; F189-L271 HydrophobicContact CD2-CG 4.46Å; F189-L271 HydrophobicContact CE2-CD1 3.66Å; F189-L271 HydrophobicContact CE2-CG 4.22Å; V269-L271 HydrophobicContact CG1-CD2 3.95Å; L271-V291 HydrophobicContact CD2-CB 4.5Å; L271-V291 HydrophobicContact CD2-CG1 4.22Å; L271-V291 HydrophobicContact CD2-CG2 4.12Å
272C85.1Confident65.1Low35 Ų3564.6 Ų64.624%0.23640%0.399CS..EExtended strand (participates in β ladder)trans-126.4131.1173.8-66.20000111.2Y270 F289 M290Y270-C272 WeakPolarHBondContact CE1-SG 3.36Å; C272-F289 WeakPolarHBondContact O-CA 3.43Å; C272-M290 HydrophobicContact CB-CB 4.26Å; C272-M290 PolarHBondContact N-O 2.59Å; C272-M290 PolarHBondContact O-N 2.96Å
273S80Confident64.4Low81 Ų8173.5 Ų73.557%0.56644%0.436SS*.EExtended strand (participates in β ladder)trans-77.1140.3161.2-178.40000110.1K275S273-K275 PolarHBondContact O-N 3.29Å
274E68.2Low63.7Low86 Ų8678 Ų7840%0.40246%0.456SS..  trans-78.999.1-179.2-174.9163.6-129.900111.3K89 S276 S288K89-E274 IonicContact NZ-OE1 3.18Å; K89-E274 PolarHBondContact NZ-OE1 3.44Å; E274-S276 PolarHBondContact O-N 2.66Å; E274-S288 PolarHBondContact N-O 3.36Å; E274-S288 VanDerWaalsContact OE2-CB 3.29Å; E274-S288 WeakPolarHBondContact OE2-CB 3.21Å; E274-S288 PolarHBondContact OE2-OG 3.4Å
275K56.7Low63.2Low186 Ų18682.6 Ų82.681%0.80947%0.473SS*.  trans-59.4130.7173.4-67.3-167.3176.2-169.20110.2S273 G277S273-K275 PolarHBondContact O-N 3.29Å; K275-G277 PolarHBondContact O-N 3.27Å; K275-G277 VanDerWaalsContact O-N 3.09Å
276S41.3Very low62.2Low103 Ų10384.2 Ų84.272%0.7249%0.487SS*.  trans-62.8111.8-178.643.60000111.8E274E274-S276 PolarHBondContact O-N 2.66Å
277G41.5Very low61.4Low50 Ų5092.3 Ų92.352%0.51552%0.517SS..  trans-54.9157.4156.200000110.5K275 D279K275-G277 PolarHBondContact O-N 3.27Å; K275-G277 VanDerWaalsContact O-N 3.09Å; G277-D279 PolarHBondContact O-N 2.74Å
278M38.1Very low60.9Low193 Ų19393 Ų9395%0.95152%0.523SS*.SBendtrans-63.9-5.7-163.1-65172.469.200115.6A280M278-A280 VanDerWaalsContact C-N 3.35Å; M278-A280 PolarHBondContact O-N 2.21Å
279D37.5Very low60.7Low134 Ų13491.4 Ų91.472%0.71752%0.516SS*.  trans-78.176.4171.8-55.9-49000112G277 A281G277-D279 PolarHBondContact O-N 2.74Å; D279-A281 PolarHBondContact O-N 3.26Å
280A37.6Very low60.6Low101 Ų10194.5 Ų94.584%0.83553%0.531SS*.THydrogen-bonded Turntrans-71.622.3-176.400000115.6M278M278-A280 VanDerWaalsContact C-N 3.35Å; M278-A280 PolarHBondContact O-N 2.21Å
281A39.7Very low60.6Low102 Ų10293.1 Ų93.184%0.84353%0.526SS*.THydrogen-bonded Turntrans-92.6-2.8-167.100000116D279D279-A281 PolarHBondContact O-N 3.26Å
282A44Very low60.7Low51 Ų5193.5 Ų93.542%0.42153%0.528SS..  trans-116.9104.2-174.900000112D284 K285A282-D284 PolarHBondContact O-N 3.24Å; A282-D284 VanDerWaalsContact O-N 3.15Å; A282-K285 HydrophobicContact CB-CD 4.05Å; A282-K285 HydrophobicContact CB-CG 4.04Å
283K42.5Very low61Low215 Ų21591.9 Ų91.994%0.93552%0.517SS*.THydrogen-bonded Turntrans-65-12.5-176.6-82.3-173.4172.5-1780115.8
284D48.1Very low61.6Low146 Ų14689.5 Ų89.578%0.78150%0.496SS*.THydrogen-bonded Turntrans-102.84.8-169.4-146.320000113.9A282 S286A282-D284 PolarHBondContact O-N 3.24Å; A282-D284 VanDerWaalsContact O-N 3.15Å; D284-S286 PolarHBondContact O-N 3.16Å; D284-S286 VanDerWaalsContact O-N 3.16Å
285K51.9Low62.5Low110 Ų11085.4 Ų85.448%0.47848%0.477SS..G310 helixtrans-70.9-4.8-174.4-78.2-179.2173.7174.60115.4A282 R287 S288A282-K285 HydrophobicContact CB-CD 4.05Å; A282-K285 HydrophobicContact CB-CG 4.04Å; K285-R287 PolarHBondContact O-N 3.05Å; K285-R287 VanDerWaalsContact O-N 3.08Å; K285-S288 PolarHBondContact O-N 2.75Å
286S53.3Low64Low100 Ų10076.6 Ų76.670%0.69944%0.438SS*.G310 helixtrans-69.4-6-171.461.50000115.8D284D284-S286 PolarHBondContact O-N 3.16Å; D284-S286 VanDerWaalsContact O-N 3.16Å
287R67.7Low66Low171 Ų17171.8 Ų71.865%0.64541%0.405SS*.G310 helixtrans-108.73.5177.3-63.6-176.8175.2-178.1-2.7114.3L175 K285 F289L175-R287 HydrophobicContact CD2-CG 4.19Å; K285-R287 PolarHBondContact O-N 3.05Å; K285-R287 VanDerWaalsContact O-N 3.08Å; R287-F289 WeakPolarHBondContact O-CD1 3.38Å; R287-F289 PolarHBondContact O-N 2.67Å
288S79.9Confident67.8Low19 Ų1969.4 Ų69.413%0.13338%0.38CS..  trans-79.8117.3179.7-1680000111.5E274 K285E274-S288 PolarHBondContact N-O 3.36Å; E274-S288 VanDerWaalsContact OE2-CB 3.29Å; E274-S288 WeakPolarHBondContact OE2-CB 3.21Å; E274-S288 PolarHBondContact OE2-OG 3.4Å; K285-S288 PolarHBondContact O-N 2.75Å
289F87.2Confident69.7Low2 Ų260.3 Ų60.31%0.00934%0.335CS..EExtended strand (participates in β ladder)trans-133.8159.6173.563.6-91.1000112.2K89 I90 L170 V174 L175 L178 C272 R287 V291K89-F289 WeakPolarHBondContact CA-O 3.43Å; I90-F289 HydrophobicContact CB-CD1 4.34Å; I90-F289 HydrophobicContact CB-CE1 3.97Å; I90-F289 HydrophobicContact CB-CE2 4.29Å; I90-F289 HydrophobicContact CB-CZ 3.94Å; I90-F289 HydrophobicContact CD1-CE1 4.49Å; I90-F289 HydrophobicContact CD1-CZ 3.98Å; I90-F289 HydrophobicContact CG1-CE1 4.08Å; I90-F289 HydrophobicContact CG1-CZ 4.03Å; I90-F289 HydrophobicContact CG2-CD1 4.17Å; I90-F289 HydrophobicContact CG2-CE1 4.16Å; I90-F289 PolarHBondContact N-O 2.92Å; L170-F289 HydrophobicContact CB-CZ 4.2Å; V174-F289 HydrophobicContact CB-CE2 3.86Å; V174-F289 HydrophobicContact CB-CZ 4.05Å; V174-F289 HydrophobicContact CG1-CD2 3.85Å; V174-F289 HydrophobicContact CG1-CE2 3.62Å; V174-F289 HydrophobicContact CG1-CZ 4.27Å; V174-F289 HydrophobicContact CG2-CE2 4.45Å; L175-F289 HydrophobicContact CD1-CD1 4.18Å; L178-F289 HydrophobicContact CD1-CB 3.43Å; L178-F289 VanDerWaalsContact CD1-CB 3.43Å; L178-F289 HydrophobicContact CD1-CD2 4.29Å; L178-F289 HydrophobicContact CD1-CG 3.92Å; C272-F289 WeakPolarHBondContact O-CA 3.43Å; R287-F289 WeakPolarHBondContact O-CD1 3.38Å; R287-F289 PolarHBondContact O-N 2.67Å; F289-V291 HydrophobicContact CD2-CG2 3.87Å; F289-V291 HydrophobicContact CE2-CG2 3.75Å
290M89.3Confident71.6Confident65 Ų6554.3 Ų54.332%0.3230%0.303SS..EExtended strand (participates in β ladder)trans-117.8133.2177.6-178.9-174.7-67.700110.2F88 K89 C272F88-M290 CarbonylContact O-C 3.29Å; F88-M290 WeakPolarHBondContact O-CA 3.27Å; F88-M290 WeakPolarHBondContact O-CG 3.37Å; K89-M290 HydrophobicContact CG-CB 4.37Å; K89-M290 HydrophobicContact CG-CE 4.12Å; C272-M290 HydrophobicContact CB-CB 4.26Å; C272-M290 PolarHBondContact N-O 2.59Å; C272-M290 PolarHBondContact O-N 2.96Å
291V91.9Very high73.4Confident2 Ų249.6 Ų49.61%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-109.1122.4174.9-1770000108S87 F88 V174 L194 V269 L271 F289S87-V291 WeakPolarHBondContact CA-O 3.45Å; F88-V291 HydrophobicContact CD1-CB 4.16Å; F88-V291 HydrophobicContact CE1-CB 3.61Å; F88-V291 HydrophobicContact CE1-CG1 3.7Å; F88-V291 HydrophobicContact CE1-CG2 4.49Å; F88-V291 HydrophobicContact CE2-CB 4.06Å; F88-V291 HydrophobicContact CE2-CG2 4.15Å; F88-V291 HydrophobicContact CZ-CB 3.56Å; F88-V291 HydrophobicContact CZ-CG1 3.79Å; F88-V291 HydrophobicContact CZ-CG2 3.95Å; F88-V291 PolarHBondContact N-O 2.96Å; F88-V291 PolarHBondContact O-N 3.09Å; V174-V291 HydrophobicContact CG1-CG2 4.39Å; L194-V291 HydrophobicContact CD1-CG1 4.49Å; L194-V291 HydrophobicContact CD2-CG1 4.12Å; V269-V291 HydrophobicContact CG1-CG1 3.74Å; L271-V291 HydrophobicContact CD2-CB 4.5Å; L271-V291 HydrophobicContact CD2-CG1 4.22Å; L271-V291 HydrophobicContact CD2-CG2 4.12Å; F289-V291 HydrophobicContact CD2-CG2 3.87Å; F289-V291 HydrophobicContact CE2-CG2 3.75Å
292N92.9Very high75.2Confident11 Ų1144.9 Ų44.96%0.05922%0.224CC..EExtended strand (participates in β ladder)trans-110.9114.5179.7-52.8-89.7000108.6S87 V269 Y270 W294S87-N292 PolarHBondContact OG-OD1 3.49Å; V269-N292 CarbonylContact C-O 3.35Å; V269-N292 WeakPolarHBondContact CA-O 3.5Å; Y270-N292 PolarHBondContact N-O 3.34Å; Y270-N292 WeakPolarHBondContact O-CB 3.41Å; Y270-N292 PolarHBondContact O-N 2.77Å; Y270-N292 PolarHBondContact O-ND2 2.87Å; N292-W294 HydrophobicContact CB-CD2 4.1Å; N292-W294 HydrophobicContact CB-CG 4.42Å; N292-W294 HydrophobicContact CB-CZ2 3.95Å
293Y92.1Very high76.6Confident2 Ų242.9 Ų42.91%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-99.296.2173.1-171.6-102.9000108S85 F86 L194 V247 I248 F267 V269S85-Y293 CarbonylContact C-O 3.56Å; S85-Y293 WeakPolarHBondContact CA-O 3.3Å; F86-Y293 PolarHBondContact N-O 3.22Å; F86-Y293 WeakPolarHBondContact O-CA 3.38Å; F86-Y293 PolarHBondContact O-N 3Å; L194-Y293 HydrophobicContact CB-CD2 4.35Å; L194-Y293 HydrophobicContact CD2-CD2 3.91Å; L194-Y293 HydrophobicContact CD2-CG 4.34Å; V247-Y293 HydrophobicContact CG1-CD1 4.1Å; V247-Y293 HydrophobicContact CG1-CE1 4.28Å; I248-Y293 HydrophobicContact CB-CE1 4.39Å; I248-Y293 HydrophobicContact CG1-CD1 3.82Å; I248-Y293 HydrophobicContact CG1-CD2 4.23Å; I248-Y293 HydrophobicContact CG1-CE1 3.8Å; I248-Y293 HydrophobicContact CG1-CE2 4.22Å; I248-Y293 HydrophobicContact CG1-CG 4.04Å; F267-Y293 HydrophobicContact CB-CE1 4.29Å; F267-Y293 HydrophobicContact CB-CE2 4.09Å; F267-Y293 AromaticContact CD1-CD1 3.82Å; F267-Y293 HydrophobicContact CD1-CD1 3.82Å; F267-Y293 AromaticContact CD1-CE1 3.18Å; F267-Y293 HydrophobicContact CD1-CE1 3.18Å; F267-Y293 HydrophobicContact CD1-CE2 4.45Å; F267-Y293 AromaticContact CD1-CZ 3.56Å; F267-Y293 HydrophobicContact CE1-CD1 4.24Å; F267-Y293 AromaticContact CE1-CE1 3.55Å; F267-Y293 HydrophobicContact CE1-CE1 3.55Å; F267-Y293 AromaticContact CG-CE1 3.86Å; F267-Y293 HydrophobicContact CG-CE1 3.86Å; F267-Y293 HydrophobicContact CG-CE2 4.5Å; F267-Y293 AromaticContact CG-CZ 3.72Å; F267-Y293 HydrophobicContact CZ-CE1 4.48Å; V269-Y293 HydrophobicContact CG2-CD2 4.17Å
294W91.7Very high78.1Confident31 Ų3133.5 Ų33.512%0.11717%0.17CC..EExtended strand (participates in β ladder)trans-103.2131.2-173.2-69-25.1000111.7S85 F267 K268 Y270 N292 F296 P500 R501 L504S85-W294 WeakPolarHBondContact OG-CA 3.39Å; F267-W294 CarbonylContact C-O 3.57Å; F267-W294 VanDerWaalsContact CA-O 3.28Å; F267-W294 WeakPolarHBondContact CA-O 3.45Å; K268-W294 PolarHBondContact N-O 3.16Å; K268-W294 PolarHBondContact O-N 3.02Å; Y270-W294 HydrophobicContact CD1-CE3 4.37Å; Y270-W294 AromaticContact CD1-CH2 3.4Å; Y270-W294 HydrophobicContact CD1-CH2 3.4Å; Y270-W294 HydrophobicContact CD1-CZ2 4.23Å; Y270-W294 AromaticContact CD1-CZ3 3.46Å; Y270-W294 HydrophobicContact CD1-CZ3 3.46Å; Y270-W294 VanDerWaalsContact CD1-CZ3 3.46Å; Y270-W294 HydrophobicContact CE1-CH2 4.01Å; Y270-W294 HydrophobicContact CE1-CZ3 4.32Å; Y270-W294 HydrophobicContact CG-CH2 4.35Å; Y270-W294 AromaticContact CG-CZ3 4Å; Y270-W294 HydrophobicContact CG-CZ3 4Å; N292-W294 HydrophobicContact CB-CD2 4.1Å; N292-W294 HydrophobicContact CB-CG 4.42Å; N292-W294 HydrophobicContact CB-CZ2 3.95Å; W294-F296 HydrophobicContact CB-CE2 3.95Å; W294-F296 HydrophobicContact CB-CZ 4.02Å; W294-F296 AromaticContact CE3-CZ 3.96Å; W294-F296 HydrophobicContact CE3-CZ 3.96Å; W294-P500 HydrophobicContact CH2-CB 4.4Å; W294-P500 HydrophobicContact CZ3-CB 4.23Å; W294-R501 HydrophobicContact CD2-CG 4.27Å; W294-R501 HydrophobicContact CE3-CB 4.01Å; W294-R501 HydrophobicContact CE3-CG 3.97Å; W294-R501 HydrophobicContact CH2-CB 3.82Å; W294-R501 HydrophobicContact CH2-CG 4.49Å; W294-R501 HydrophobicContact CZ2-CB 4.45Å; W294-R501 HydrophobicContact CZ3-CB 3.59Å; W294-R501 HydrophobicContact CZ3-CG 4.09Å; W294-L504 HydrophobicContact CE3-CD1 4.22Å; W294-L504 HydrophobicContact CZ3-CD1 4.2Å
295C88.7Confident79.4Confident0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-87.5141.1167.5-164.30000109.9E81 A84 S85 F267E81-C295 WeakPolarHBondContact CB-O 3.32Å; E81-C295 WeakPolarHBondContact CG-O 3.4Å; A84-C295 HydrophobicContact CB-CB 3.75Å; S85-C295 PolarHBondContact OG-N 3.03Å; F267-C295 HydrophobicContact CD1-CB 3.84Å; F267-C295 HydrophobicContact CE1-CB 3.54Å; F267-C295 HydrophobicContact CZ-CB 4.14Å
296F88Confident80.5Confident1 Ų124.6 Ų24.60%0.00413%0.127CC..  trans-122.124.2177.8-68.6-68.3000113.3E81 D266 K268 W294 R501 L504 K505 H508E81-F296 VanDerWaalsContact OE1-CA 3.24Å; E81-F296 WeakPolarHBondContact OE1-CA 3.44Å; D266-F296 PolarHBondContact O-N 3.12Å; K268-F296 HydrophobicContact CB-CD2 4.45Å; K268-F296 HydrophobicContact CB-CE2 3.96Å; K268-F296 HydrophobicContact CG-CD2 3.77Å; K268-F296 HydrophobicContact CG-CE2 3.6Å; W294-F296 HydrophobicContact CB-CE2 3.95Å; W294-F296 HydrophobicContact CB-CZ 4.02Å; W294-F296 AromaticContact CE3-CZ 3.96Å; W294-F296 HydrophobicContact CE3-CZ 3.96Å; F296-R501 HydrophobicContact CE1-CG 3.56Å; F296-R501 WeakPolarHBondContact CE1-O 3.49Å; F296-R501 HydrophobicContact CZ-CG 3.9Å; F296-L504 HydrophobicContact CE1-CB 4.39Å; F296-L504 HydrophobicContact CE2-CB 3.72Å; F296-L504 HydrophobicContact CZ-CB 3.51Å; F296-K505 HydrophobicContact CB-CD 4.16Å; F296-K505 HydrophobicContact CD1-CB 3.7Å; F296-K505 HydrophobicContact CD1-CD 3.82Å; F296-K505 HydrophobicContact CD1-CG 4.3Å; F296-K505 HydrophobicContact CE1-CB 3.79Å; F296-K505 HydrophobicContact CG-CD 4.42Å; F296-K505 PolarHBondContact O-NZ 2.72Å; F296-H508 HydrophobicContact CB-CB 4.12Å; F296-H508 WeakPolarHBondContact CB-CD2 3.2Å; F296-H508 PolarHBondContact O-CD2 2.87Å; F296-H508 VanDerWaalsContact O-CD2 3.26Å; F296-H508 PolarHBondContact O-NE2 3.4Å
297S82.9Confident81.5Confident2 Ų222.6 Ų22.61%0.01411%0.113CC..  trans-140.7106.4-177.2-179.80000111.2D266 G299 Y300 R331D266-S297 VanDerWaalsContact CG-CB 3.43Å; S297-G299 PolarHBondContact O-N 3.07Å; S297-Y300 WeakPolarHBondContact O-CB 3.45Å; S297-Y300 PolarHBondContact O-N 3.12Å; S297-R331 PolarHBondContact OG-NE 2.98Å; S297-R331 PolarHBondContact OG-NH1 2.55Å; S297-R331 VanDerWaalsContact OG-NH1 3.16Å; S297-R331 PolarHBondContact OG-NH2 3.43Å
298A79.8Confident81.7Confident0 Ų016.2 Ų16.20%09%0.091CC..Hα-helixtrans-60.4-25.1172.500000112.9E77 C80 Y300 S301 M302 M330E77-A298 HydrophobicContact CB-CB 4.28Å; E77-A298 HydrophobicContact CG-CB 3.87Å; C80-A298 HydrophobicContact CB-CB 3.63Å; A298-Y300 PolarHBondContact O-N 2.67Å; A298-S301 PolarHBondContact O-N 3.34Å; A298-M302 WeakPolarHBondContact O-CG 3.48Å; A298-M302 PolarHBondContact O-N 3.04Å; A298-M302 VanDerWaalsContact O-N 3.1Å; A298-M330 HydrophobicContact CB-CE 3.9Å; A298-M330 HydrophobicContact CB-SD 3.72Å
299G77.4Confident81.5Confident1 Ų117.1 Ų17.11%0.0110%0.103CC..Hα-helixtrans-60.1-19.7173.100000115S297 S303 M330S297-G299 PolarHBondContact O-N 3.07Å; G299-S303 WeakPolarHBondContact O-CB 3.39Å; G299-S303 PolarHBondContact O-N 3.3Å; G299-S303 PolarHBondContact O-OG 3.47Å; G299-M330 WeakPolarHBondContact CA-O 3.49Å
300Y76.6Confident81.2Confident9 Ų917.9 Ų17.94%0.03511%0.108CC..Hα-helixtrans-62.1-62.1171-179.3-96000110.7P35 A84 D251 V262 F267 S297 A298 M302 S303 A304P35-Y300 HydrophobicContact CB-CD1 4.46Å; P35-Y300 HydrophobicContact CB-CE1 3.73Å; P35-Y300 HydrophobicContact CG-CE1 3.89Å; A84-Y300 HydrophobicContact CB-CD1 3.53Å; A84-Y300 HydrophobicContact CB-CE1 3.98Å; A84-Y300 HydrophobicContact CB-CG 4.44Å; D251-Y300 HydrophobicContact CB-CE2 4.45Å; V262-Y300 HydrophobicContact CB-CD2 4.23Å; V262-Y300 HydrophobicContact CG1-CD2 3.51Å; V262-Y300 HydrophobicContact CG1-CE2 3.77Å; V262-Y300 HydrophobicContact CG2-CD2 3.62Å; V262-Y300 HydrophobicContact CG2-CE2 4.27Å; V262-Y300 HydrophobicContact CG2-CG 4.44Å; F267-Y300 AromaticContact CE2-CD2 3.92Å; F267-Y300 HydrophobicContact CE2-CD2 3.92Å; F267-Y300 HydrophobicContact CE2-CE2 4.05Å; F267-Y300 HydrophobicContact CE2-CG 4.47Å; F267-Y300 HydrophobicContact CZ-CD1 4.29Å; F267-Y300 AromaticContact CZ-CD2 3.87Å; F267-Y300 HydrophobicContact CZ-CD2 3.87Å; F267-Y300 HydrophobicContact CZ-CE1 4.28Å; F267-Y300 AromaticContact CZ-CE2 3.89Å; F267-Y300 HydrophobicContact CZ-CE2 3.89Å; F267-Y300 HydrophobicContact CZ-CG 4.09Å; S297-Y300 WeakPolarHBondContact O-CB 3.45Å; S297-Y300 PolarHBondContact O-N 3.12Å; A298-Y300 PolarHBondContact O-N 2.67Å; Y300-M302 VanDerWaalsContact C-N 3.34Å; Y300-M302 PolarHBondContact O-N 3.13Å; Y300-S303 PolarHBondContact O-N 2.94Å; Y300-S303 VanDerWaalsContact O-N 3.16Å; Y300-A304 PolarHBondContact O-N 3.29Å
301S75.9Confident81.1Confident2 Ų221 Ų211%0.01412%0.121CC..Hα-helixtrans-66.7-35.1-176-48.70000111.7C80 A298 A304 L305C80-S301 PolarHBondContact O-OG 3.17Å; A298-S301 PolarHBondContact O-N 3.34Å; S301-A304 PolarHBondContact O-N 3.14Å; S301-L305 VanDerWaalsContact O-CB 3.32Å; S301-L305 WeakPolarHBondContact O-CB 3.3Å; S301-L305 PolarHBondContact O-N 2.95Å
302M77.2Confident80.9Confident2 Ų223.2 Ų23.21%0.0114%0.136CC..Hα-helixtrans-68.9-36173.1-64.1-52.7-7000113.3L33 F60 A298 Y300 L305 L306 V313 M330 I332L33-M302 HydrophobicContact CD2-SD 3.96Å; F60-M302 HydrophobicContact CE2-CE 4.32Å; A298-M302 WeakPolarHBondContact O-CG 3.48Å; A298-M302 PolarHBondContact O-N 3.04Å; A298-M302 VanDerWaalsContact O-N 3.1Å; Y300-M302 VanDerWaalsContact C-N 3.34Å; Y300-M302 PolarHBondContact O-N 3.13Å; M302-L305 HydrophobicContact CE-CD2 3.96Å; M302-L305 PolarHBondContact O-N 2.98Å; M302-L305 HydrophobicContact SD-CD2 4.16Å; M302-L306 WeakPolarHBondContact O-CB 3.41Å; M302-L306 VanDerWaalsContact O-CG 3.32Å; M302-L306 WeakPolarHBondContact O-CG 3.38Å; M302-L306 PolarHBondContact O-N 3.24Å; M302-V313 HydrophobicContact CE-CG1 4.12Å; M302-M330 HydrophobicContact CG-CE 3.51Å; M302-M330 HydrophobicContact SD-CE 3.86Å; M302-I332 HydrophobicContact CB-CD1 4.26Å; M302-I332 HydrophobicContact CB-CG2 3.81Å; M302-I332 HydrophobicContact CE-CD1 3.64Å; M302-I332 HydrophobicContact CG-CD1 4.42Å
303S74.7Confident80.5Confident10 Ų1024.1 Ų24.17%0.0714%0.142CC..Hα-helixtrans-68.4-39.3174.5-61.60000111.4F261 G299 Y300 L305 L306 S307F261-S303 WeakPolarHBondContact CB-OG 3.32Å; G299-S303 WeakPolarHBondContact O-CB 3.39Å; G299-S303 PolarHBondContact O-N 3.3Å; G299-S303 PolarHBondContact O-OG 3.47Å; Y300-S303 PolarHBondContact O-N 2.94Å; Y300-S303 VanDerWaalsContact O-N 3.16Å; S303-L305 VanDerWaalsContact C-N 3.35Å; S303-L306 PolarHBondContact O-N 3.08Å; S303-S307 PolarHBondContact O-N 3.07Å
304A72.6Confident80.4Confident18 Ų1827.6 Ų27.615%0.14916%0.16CC..Hα-helixtrans-64.4-37.1173.200000112.3Y300 S301 S307 H308Y300-A304 PolarHBondContact O-N 3.29Å; S301-A304 PolarHBondContact O-N 3.14Å; A304-S307 PolarHBondContact O-OG 3.17Å; A304-H308 PolarHBondContact O-ND1 3.39Å
305L75.1Confident80.1Confident3 Ų327.7 Ų27.72%0.01616%0.164CC..Hα-helixtrans-65.5-46.5174-170.974.6000111.7L32 L33 L53 L58 F60 S301 M302 S303 S307 H308 V310L32-L305 HydrophobicContact CB-CD1 4.46Å; L32-L305 WeakPolarHBondContact O-CD1 3.15Å; L33-L305 HydrophobicContact CD2-CD2 4.33Å; L53-L305 HydrophobicContact CD1-CD1 4.01Å; L58-L305 HydrophobicContact CD1-CD1 3.76Å; L58-L305 HydrophobicContact CD1-CD2 3.77Å; L58-L305 HydrophobicContact CD1-CG 3.85Å; F60-L305 HydrophobicContact CE2-CD2 4.02Å; F60-L305 HydrophobicContact CZ-CD2 3.78Å; S301-L305 VanDerWaalsContact O-CB 3.32Å; S301-L305 WeakPolarHBondContact O-CB 3.3Å; S301-L305 PolarHBondContact O-N 2.95Å; M302-L305 HydrophobicContact CE-CD2 3.96Å; M302-L305 PolarHBondContact O-N 2.98Å; M302-L305 HydrophobicContact SD-CD2 4.16Å; S303-L305 VanDerWaalsContact C-N 3.35Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 2.93Å; L305-H308 WeakPolarHBondContact O-CB 3.32Å; L305-H308 PolarHBondContact O-N 2.98Å; L305-V310 WeakPolarHBondContact O-CG2 3.45Å
306L76.4Confident80Confident66 Ų6630.4 Ų30.435%0.34618%0.181SC..Hα-helixtrans-68.8-29179.8-70.7175000113.2M302 S303 H308 G309 V313 I332M302-L306 WeakPolarHBondContact O-CB 3.41Å; M302-L306 VanDerWaalsContact O-CG 3.32Å; M302-L306 WeakPolarHBondContact O-CG 3.38Å; M302-L306 PolarHBondContact O-N 3.24Å; S303-L306 PolarHBondContact O-N 3.08Å; L306-H308 PolarHBondContact O-N 2.98Å; L306-H308 VanDerWaalsContact O-N 3.09Å; L306-G309 PolarHBondContact O-N 3.23Å; L306-V313 HydrophobicContact CD2-CG2 3.81Å; L306-I332 HydrophobicContact CD1-CB 4.16Å; L306-I332 HydrophobicContact CD1-CD1 4.41Å; L306-I332 HydrophobicContact CD1-CG2 3.69Å
307S73.6Confident79.6Confident58 Ų5831.7 Ų31.741%0.40619%0.19SC..Hα-helixtrans-57.8-25.9178.782.40000113.3C258 S303 A304 L305 G309C258-S307 WeakPolarHBondContact SG-CB 3.29Å; S303-S307 PolarHBondContact O-N 3.07Å; A304-S307 PolarHBondContact O-OG 3.17Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 2.93Å; S307-G309 PolarHBondContact O-N 3.21Å
308H72.2Confident79.3Confident37 Ų3734.3 Ų34.317%0.17122%0.218CC..THydrogen-bonded Turntrans-68.1-11.2178.5-74.657.1000113.9A38 Q44 L53 R54 A304 L305 L306A38-H308 VanDerWaalsContact CA-CE1 3.43Å; A38-H308 WeakPolarHBondContact CA-CE1 3.4Å; A38-H308 VanDerWaalsContact CB-CE1 3.46Å; A38-H308 WeakPolarHBondContact CB-CE1 3.32Å; A38-H308 PolarHBondContact O-CE1 3.13Å; A38-H308 PolarHBondContact O-NE2 3.33Å; A38-H308 VanDerWaalsContact O-NE2 3.07Å; Q44-H308 PolarHBondContact NE2-NE2 3.09Å; L53-H308 HydrophobicContact CB-CB 3.83Å; L53-H308 HydrophobicContact CD1-CB 4.34Å; R54-H308 WeakPolarHBondContact CA-O 3.27Å; R54-H308 VanDerWaalsContact CB-O 3.23Å; R54-H308 WeakPolarHBondContact CB-O 3.42Å; R54-H308 WeakPolarHBondContact CG-O 3.35Å; A304-H308 PolarHBondContact O-ND1 3.39Å; L305-H308 WeakPolarHBondContact O-CB 3.32Å; L305-H308 PolarHBondContact O-N 2.98Å; L306-H308 PolarHBondContact O-N 2.98Å; L306-H308 VanDerWaalsContact O-N 3.09Å
309G75.6Confident78.8Confident38 Ų3834.9 Ų34.939%0.39222%0.221SC..  trans74.338.9-175.200000112.6R54 G55 L306 S307R54-G309 WeakPolarHBondContact CA-O 3.28Å; G55-G309 PolarHBondContact N-O 2.72Å; L306-G309 PolarHBondContact O-N 3.23Å; S307-G309 PolarHBondContact O-N 3.21Å
310V80Confident78.5Confident18 Ų1835.6 Ų35.611%0.10922%0.224CC..  trans-51.7136.6163.8174.30000109.2L53 N56 L58 L305 S312 V313L53-V310 HydrophobicContact CB-CG2 4.11Å; L53-V310 WeakPolarHBondContact O-CA 3.47Å; N56-V310 WeakPolarHBondContact O-CG1 3.45Å; L58-V310 HydrophobicContact CB-CG1 4.42Å; L58-V310 HydrophobicContact CD1-CG1 3.93Å; L58-V310 HydrophobicContact CD1-CG2 3.77Å; L58-V310 HydrophobicContact CG-CG1 3.86Å; L58-V310 HydrophobicContact CG-CG2 4.38Å; L305-V310 WeakPolarHBondContact O-CG2 3.45Å; V310-S312 WeakPolarHBondContact CG1-O 3.32Å; V310-V313 HydrophobicContact CG1-CG2 3.92Å
311H87.2Confident77.9Confident131 Ų13135.7 Ų35.761%0.60623%0.226SC*.SBendtrans-71.9-43.8-178.1-179.7-77.8000111.9G55 N56 I57G55-H311 WeakPolarHBondContact O-CB 3.16Å; N56-H311 WeakPolarHBondContact O-CB 3.29Å; N56-H311 PolarHBondContact O-N 2.65Å; I57-H311 HydrophobicContact CG1-CB 4.4Å
312S89Confident77.4Confident47 Ų4738 Ų3833%0.32924%0.241SC..EExtended strand (participates in β ladder)trans-155.3145.8178.9-55.50000110.7I57 L58 V310I57-S312 WeakPolarHBondContact CA-O 3.48Å; L58-S312 PolarHBondContact N-O 3.06Å; V310-S312 WeakPolarHBondContact CG1-O 3.32Å
313V84.8Confident77.3Confident30 Ų3039.6 Ų39.618%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-114.3121.4170177.30000107.7L58 F60 M302 L306 V310 V315L58-V313 WeakPolarHBondContact O-CA 3.49Å; F60-V313 HydrophobicContact CD2-CG1 3.88Å; F60-V313 HydrophobicContact CE2-CG1 3.85Å; M302-V313 HydrophobicContact CE-CG1 4.12Å; L306-V313 HydrophobicContact CD2-CG2 3.81Å; V310-V313 HydrophobicContact CG1-CG2 3.92Å; V313-V315 HydrophobicContact CG1-CG2 4.16Å
314I89Confident77.2Confident76 Ų7645 Ų4539%0.3928%0.278SS..EExtended strand (participates in β ladder)trans-109139.7174.6-59176.5000107.2I57 L58 I59 F60 T316I57-I314 HydrophobicContact CG2-CD1 4.09Å; I57-I314 HydrophobicContact CG2-CG1 4.47Å; L58-I314 PolarHBondContact O-N 2.7Å; I59-I314 WeakPolarHBondContact CA-O 3.39Å; I59-I314 HydrophobicContact CG1-CB 4.31Å; I59-I314 HydrophobicContact CG1-CD1 4.38Å; I59-I314 HydrophobicContact CG2-CB 4.43Å; I59-I314 HydrophobicContact CG2-CG2 4.36Å; F60-I314 PolarHBondContact N-O 3.5Å; I314-T316 HydrophobicContact CG2-CG2 4.3Å
315V86.1Confident77Confident33 Ų3344.4 Ų44.420%0.227%0.273CS..EExtended strand (participates in β ladder)trans-131.9121.1177.2-1710000108.1F60 A63 V313 L320 F326 F334F60-V315 HydrophobicContact CB-CB 4.47Å; F60-V315 HydrophobicContact CB-CG1 4.17Å; F60-V315 HydrophobicContact CB-CG2 4.28Å; F60-V315 HydrophobicContact CD2-CG2 4.44Å; A63-V315 HydrophobicContact CB-CG1 3.39Å; V313-V315 HydrophobicContact CG1-CG2 4.16Å; V315-L320 HydrophobicContact CG1-CD1 3.72Å; V315-F326 HydrophobicContact CB-CE1 4.42Å; V315-F326 HydrophobicContact CG1-CE1 3.93Å; V315-F326 HydrophobicContact CG1-CZ 3.84Å; V315-F326 HydrophobicContact CG2-CE1 4.46Å; V315-F334 HydrophobicContact CG2-CE1 3.79Å; V315-F334 HydrophobicContact CG2-CZ 4.05Å
316T86.2Confident77Confident56 Ų5644.6 Ų44.634%0.34427%0.273SS..  trans-123.3145.1-178.740.50000110.7F60 D61 E62 A63 I314F60-T316 PolarHBondContact O-N 3.26Å; D61-T316 WeakPolarHBondContact CA-OG1 3.25Å; D61-T316 WeakPolarHBondContact OD1-CB 3.46Å; D61-T316 PolarHBondContact OD1-OG1 3.22Å; E62-T316 CarbonylContact C-O 3.55Å; E62-T316 WeakPolarHBondContact CA-O 3.21Å; E62-T316 PolarHBondContact N-O 2.62Å; A63-T316 PolarHBondContact N-O 3.36Å; I314-T316 HydrophobicContact CG2-CG2 4.3Å
317S80Confident77Confident29 Ų2943.3 Ų43.320%0.20327%0.268CS..  trans-177.4136.4-178.2162.40000110.4E62 H64 T319 L320E62-S317 WeakPolarHBondContact OE1-CA 3.36Å; H64-S317 PolarHBondContact ND1-OG 3.2Å; S317-T319 PolarHBondContact O-N 3.46Å; S317-T319 PolarHBondContact OG-N 3.48Å; S317-T319 VanDerWaalsContact OG-N 3.09Å; S317-L320 PolarHBondContact OG-N 2.87Å
318G75.5Confident77Confident57 Ų5742.5 Ų42.559%0.58826%0.26SS*.THydrogen-bonded Turntrans-69.9-12.9172.700000115.4E62E62-G318 PolarHBondContact OE1-N 3.41Å
319T70.9Confident77.1Confident11 Ų1141.2 Ų41.27%0.06725%0.254CS..THydrogen-bonded Turntrans-133.827.8-171.777.80000114H64 S317H64-T319 PolarHBondContact ND1-OG1 3.41Å; S317-T319 PolarHBondContact O-N 3.46Å; S317-T319 PolarHBondContact OG-N 3.48Å; S317-T319 VanDerWaalsContact OG-N 3.09Å
320L70.5Confident77.2Confident17 Ų1739.5 Ų39.59%0.08924%0.235CC..  trans-78.6-11.5-177.2-107-178.5000115V315 S317 L323 F326V315-L320 HydrophobicContact CG1-CD1 3.72Å; S317-L320 PolarHBondContact OG-N 2.87Å; L320-L323 HydrophobicContact CB-CD2 3.97Å; L320-F326 HydrophobicContact CD1-CD1 4.3Å; L320-F326 HydrophobicContact CD1-CE1 4.17Å; L320-F326 HydrophobicContact CD1-CZ 4.37Å; L320-F326 HydrophobicContact CD2-CB 4.05Å; L320-F326 HydrophobicContact CD2-CD1 4.04Å; L320-F326 HydrophobicContact CD2-CD2 3.4Å; L320-F326 VanDerWaalsContact CD2-CD2 3.4Å; L320-F326 HydrophobicContact CD2-CE1 4.35Å; L320-F326 HydrophobicContact CD2-CE2 3.76Å; L320-F326 HydrophobicContact CD2-CG 3.55Å; L320-F326 HydrophobicContact CD2-CZ 4.22Å
321S63.3Low76.8Confident11 Ų1141.6 Ų41.68%0.07724%0.241CC..  trans-78.1146-175.561.60000113.5E339S321-E339 WeakPolarHBondContact CB-OE1 3.46Å; S321-E339 VanDerWaalsContact CB-OE2 3.23Å; S321-E339 WeakPolarHBondContact CB-OE2 3.49Å; S321-E339 PolarHBondContact OG-OE1 2.91Å
322P66.5Low76.2Confident50 Ų5035.9 Ų35.933%0.32522%0.215SC..SBendcis-76.9124.86.430.2-34.7000114.2N324 S325 L606P322-N324 PolarHBondContact O-N 3.37Å; P322-N324 VanDerWaalsContact O-N 3.13Å; P322-S325 WeakPolarHBondContact O-CB 3.44Å; P322-S325 PolarHBondContact O-N 3.36Å; P322-L606 HydrophobicContact CG-CD2 4.04Å
323L75Confident75.4Confident35 Ų3538.5 Ų38.518%0.18323%0.231CC..Hα-helixtrans-60-27.8-174.6-61.5-178.4000113.9L320 S325 F326 T327 C337 E339L320-L323 HydrophobicContact CB-CD2 3.97Å; L323-S325 VanDerWaalsContact C-N 3.28Å; L323-S325 PolarHBondContact O-N 2.98Å; L323-F326 PolarHBondContact O-N 3.47Å; L323-T327 WeakPolarHBondContact O-CB 3.29Å; L323-T327 PolarHBondContact O-N 2.87Å; L323-T327 PolarHBondContact O-OG1 3Å; L323-C337 HydrophobicContact CD1-CB 4.21Å; L323-E339 HydrophobicContact CD1-CB 4.09Å
324N71.3Confident75.1Confident123 Ų12339.3 Ų39.366%0.65823%0.232SC*.Hα-helixtrans-64.4-31.1175.8-69.8-11.2000112.5P322 N328P322-N324 PolarHBondContact O-N 3.37Å; P322-N324 VanDerWaalsContact O-N 3.13Å; N324-N328 PolarHBondContact O-N 3.43Å; N324-N328 PolarHBondContact O-ND2 3Å
325S68.9Low74.8Confident7 Ų741.3 Ų41.35%0.04925%0.253CS..Hα-helixtrans-70-51.8176.3-158.60000110.3P322 L323 T327 N328 E329 V598 L606P322-S325 WeakPolarHBondContact O-CB 3.44Å; P322-S325 PolarHBondContact O-N 3.36Å; L323-S325 VanDerWaalsContact C-N 3.28Å; L323-S325 PolarHBondContact O-N 2.98Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact O-N 3.34Å; S325-N328 WeakPolarHBondContact O-CB 3.5Å; S325-N328 PolarHBondContact O-N 3.22Å; S325-E329 VanDerWaalsContact C-OE1 3.3Å; S325-E329 WeakPolarHBondContact CB-OE1 3.49Å; S325-E329 VanDerWaalsContact O-CG 3.32Å; S325-E329 WeakPolarHBondContact O-CG 3.05Å; S325-E329 PolarHBondContact O-N 3.38Å; S325-E329 PolarHBondContact OG-OE1 3.23Å; S325-V598 WeakPolarHBondContact OG-CG2 3.39Å; S325-L606 VanDerWaalsContact OG-CD1 3.26Å; S325-L606 WeakPolarHBondContact OG-CD1 3.27Å
326F75.7Confident74.8Confident7 Ų746 Ų463%0.03128%0.281CS..Hα-helixtrans-55.9-44.4176.7-178.2-108.3000112.2C76 V315 L320 L323 N328 E329 M330 F334C76-F326 HydrophobicContact CB-CE2 4.49Å; V315-F326 HydrophobicContact CB-CE1 4.42Å; V315-F326 HydrophobicContact CG1-CE1 3.93Å; V315-F326 HydrophobicContact CG1-CZ 3.84Å; V315-F326 HydrophobicContact CG2-CE1 4.46Å; L320-F326 HydrophobicContact CD1-CD1 4.3Å; L320-F326 HydrophobicContact CD1-CE1 4.17Å; L320-F326 HydrophobicContact CD1-CZ 4.37Å; L320-F326 HydrophobicContact CD2-CB 4.05Å; L320-F326 HydrophobicContact CD2-CD1 4.04Å; L320-F326 HydrophobicContact CD2-CD2 3.4Å; L320-F326 VanDerWaalsContact CD2-CD2 3.4Å; L320-F326 HydrophobicContact CD2-CE1 4.35Å; L320-F326 HydrophobicContact CD2-CE2 3.76Å; L320-F326 HydrophobicContact CD2-CG 3.55Å; L320-F326 HydrophobicContact CD2-CZ 4.22Å; L323-F326 PolarHBondContact O-N 3.47Å; F326-N328 VanDerWaalsContact C-N 3.33Å; F326-N328 PolarHBondContact O-N 3.41Å; F326-E329 PolarHBondContact O-N 3.14Å; F326-M330 HydrophobicContact CD1-CG 4.2Å; F326-M330 HydrophobicContact CD2-CG 3.86Å; F326-M330 HydrophobicContact CD2-SD 4.18Å; F326-M330 HydrophobicContact CE1-CG 3.84Å; F326-M330 HydrophobicContact CE2-CG 3.48Å; F326-M330 VanDerWaalsContact CE2-CG 3.48Å; F326-M330 HydrophobicContact CE2-SD 3.55Å; F326-M330 VanDerWaalsContact CE2-SD 3.55Å; F326-M330 HydrophobicContact CG-CG 4.21Å; F326-M330 HydrophobicContact CZ-CE 4.48Å; F326-M330 HydrophobicContact CZ-CG 3.47Å; F326-M330 VanDerWaalsContact CZ-CG 3.47Å; F326-M330 HydrophobicContact CZ-SD 3.95Å; F326-M330 VanDerWaalsContact O-CG 3.32Å; F326-M330 WeakPolarHBondContact O-CG 3.49Å; F326-M330 PolarHBondContact O-N 2.9Å; F326-F334 HydrophobicContact CD1-CE2 4.07Å; F326-F334 HydrophobicContact CD1-CZ 4.45Å; F326-F334 AromaticContact CE1-CE2 3.81Å; F326-F334 HydrophobicContact CE1-CE2 3.81Å; F326-F334 AromaticContact CE1-CZ 3.75Å; F326-F334 HydrophobicContact CE1-CZ 3.75Å
327T76.4Confident74.7Confident39 Ų3946.8 Ų46.824%0.23929%0.288CS..Hα-helixtrans-59.7-41.2176.1-58.10000112.4L323 S325 R331 F334L323-T327 WeakPolarHBondContact O-CB 3.29Å; L323-T327 PolarHBondContact O-N 2.87Å; L323-T327 PolarHBondContact O-OG1 3Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact O-N 3.34Å; T327-R331 PolarHBondContact O-N 2.68Å; T327-F334 HydrophobicContact CG2-CD2 4.14Å
328N72.9Confident74.9Confident41 Ų4153.5 Ų53.522%0.21932%0.318CS..Hα-helixtrans-68.3-36.9175.8-85.6-66.2000112.9N324 S325 F326 R331 Q596 V598N324-N328 PolarHBondContact O-N 3.43Å; N324-N328 PolarHBondContact O-ND2 3Å; S325-N328 WeakPolarHBondContact O-CB 3.5Å; S325-N328 PolarHBondContact O-N 3.22Å; F326-N328 VanDerWaalsContact C-N 3.33Å; F326-N328 PolarHBondContact O-N 3.41Å; N328-R331 WeakPolarHBondContact O-CG 3.49Å; N328-Q596 PolarHBondContact ND2-O 3.24Å; N328-Q596 PolarHBondContact OD1-O 3.03Å; N328-V598 HydrophobicContact CB-CG2 4.39Å
329E73.8Confident75Confident10 Ų1055 Ų555%0.04731%0.31CS..Hα-helixtrans-72.1-46.2-178.7-71.1154.5-143.700112.1E77 S325 F326 R331 R610E77-E329 HydrophobicContact CG-CB 4.21Å; S325-E329 VanDerWaalsContact C-OE1 3.3Å; S325-E329 WeakPolarHBondContact CB-OE1 3.49Å; S325-E329 VanDerWaalsContact O-CG 3.32Å; S325-E329 WeakPolarHBondContact O-CG 3.05Å; S325-E329 PolarHBondContact O-N 3.38Å; S325-E329 PolarHBondContact OG-OE1 3.23Å; F326-E329 PolarHBondContact O-N 3.14Å; E329-R331 PolarHBondContact O-N 3Å; E329-R610 IonicContact OE1-CZ 3.58Å; E329-R610 IonicContact OE1-NH1 3.54Å; E329-R610 IonicContact OE1-NH2 2.64Å; E329-R610 PolarHBondContact OE1-NH2 2.82Å; E329-R610 IonicContact OE2-CZ 3.83Å; E329-R610 IonicContact OE2-NH1 2.63Å; E329-R610 PolarHBondContact OE2-NH1 2.78Å; E329-R610 VanDerWaalsContact OE2-NH1 3.11Å; E329-R610 IonicContact OE2-NH2 2.66Å; E329-R610 PolarHBondContact OE2-NH2 2.97Å
330M77.6Confident75.2Confident1 Ų157.3 Ų57.31%0.00534%0.336CS..Hα-helixtrans-73-15.6177-54.2-50-70.200113C76 E77 A298 G299 M302 F326 I332 F334C76-M330 HydrophobicContact CB-CE 4.41Å; E77-M330 HydrophobicContact CB-SD 4.2Å; A298-M330 HydrophobicContact CB-CE 3.9Å; A298-M330 HydrophobicContact CB-SD 3.72Å; G299-M330 WeakPolarHBondContact CA-O 3.49Å; M302-M330 HydrophobicContact CG-CE 3.51Å; M302-M330 HydrophobicContact SD-CE 3.86Å; F326-M330 HydrophobicContact CD1-CG 4.2Å; F326-M330 HydrophobicContact CD2-CG 3.86Å; F326-M330 HydrophobicContact CD2-SD 4.18Å; F326-M330 HydrophobicContact CE1-CG 3.84Å; F326-M330 HydrophobicContact CE2-CG 3.48Å; F326-M330 VanDerWaalsContact CE2-CG 3.48Å; F326-M330 HydrophobicContact CE2-SD 3.55Å; F326-M330 VanDerWaalsContact CE2-SD 3.55Å; F326-M330 HydrophobicContact CG-CG 4.21Å; F326-M330 HydrophobicContact CZ-CE 4.48Å; F326-M330 HydrophobicContact CZ-CG 3.47Å; F326-M330 VanDerWaalsContact CZ-CG 3.47Å; F326-M330 HydrophobicContact CZ-SD 3.95Å; F326-M330 VanDerWaalsContact O-CG 3.32Å; F326-M330 WeakPolarHBondContact O-CG 3.49Å; F326-M330 PolarHBondContact O-N 2.9Å; M330-I332 HydrophobicContact CB-CG1 4.07Å; M330-I332 PolarHBondContact O-N 2.85Å; M330-F334 HydrophobicContact CB-CE2 4.24Å; M330-F334 HydrophobicContact CG-CE2 4.44Å
331R73.3Confident75.3Confident62 Ų6264.9 Ų64.923%0.23437%0.371CS..  trans52.615.8179.7-56.1-172.8-175167.48.7116.9D266 S297 T327 N328 E329 H508D266-R331 VanDerWaalsContact CG-NH1 3.28Å; D266-R331 IonicContact OD1-CZ 2.85Å; D266-R331 VanDerWaalsContact OD1-CZ 3.29Å; D266-R331 IonicContact OD1-NH1 3.81Å; D266-R331 PolarHBondContact OD1-NH1 3.07Å; D266-R331 IonicContact OD1-NH2 3.11Å; D266-R331 PolarHBondContact OD1-NH2 3.09Å; D266-R331 IonicContact OD2-CZ 3.77Å; D266-R331 IonicContact OD2-NH1 3.41Å; D266-R331 PolarHBondContact OD2-NH1 3.49Å; D266-R331 IonicContact OD2-NH2 2.71Å; S297-R331 PolarHBondContact OG-NE 2.98Å; S297-R331 PolarHBondContact OG-NH1 2.55Å; S297-R331 VanDerWaalsContact OG-NH1 3.16Å; S297-R331 PolarHBondContact OG-NH2 3.43Å; T327-R331 PolarHBondContact O-N 2.68Å; N328-R331 WeakPolarHBondContact O-CG 3.49Å; E329-R331 PolarHBondContact O-N 3Å; R331-H508 PolarHBondContact NH2-NE2 3.03Å
332I73.2Confident75.6Confident12 Ų1266.2 Ų66.26%0.06238%0.376CS..SBendtrans-107.3148.8176.358.1164.9000110.7M302 L306 M330 F334M302-I332 HydrophobicContact CB-CD1 4.26Å; M302-I332 HydrophobicContact CB-CG2 3.81Å; M302-I332 HydrophobicContact CE-CD1 3.64Å; M302-I332 HydrophobicContact CG-CD1 4.42Å; L306-I332 HydrophobicContact CD1-CB 4.16Å; L306-I332 HydrophobicContact CD1-CD1 4.41Å; L306-I332 HydrophobicContact CD1-CG2 3.69Å; M330-I332 HydrophobicContact CB-CG1 4.07Å; M330-I332 PolarHBondContact O-N 2.85Å; I332-F334 HydrophobicContact CD1-CE1 4.1Å; I332-F334 HydrophobicContact CD1-CE2 4.21Å; I332-F334 HydrophobicContact CD1-CZ 3.68Å; I332-F334 HydrophobicContact CG1-CE2 3.86Å; I332-F334 HydrophobicContact CG1-CZ 3.87Å; I332-F334 PolarHBondContact O-N 2.94Å
333P71.8Confident75.8Confident101 Ų10169 Ų6966%0.65639%0.392SS*.  trans-75.7113.4-179.729.6-33.7000111.5S335P333-S335 PolarHBondContact O-N 2.78Å
334F79.2Confident75.6Confident47 Ų4767.4 Ų67.421%0.20638%0.384CS..  trans-89.795.5165.9-67.2-73.7000109.7V315 F326 T327 M330 I332 V336V315-F334 HydrophobicContact CG2-CE1 3.79Å; V315-F334 HydrophobicContact CG2-CZ 4.05Å; F326-F334 HydrophobicContact CD1-CE2 4.07Å; F326-F334 HydrophobicContact CD1-CZ 4.45Å; F326-F334 AromaticContact CE1-CE2 3.81Å; F326-F334 HydrophobicContact CE1-CE2 3.81Å; F326-F334 AromaticContact CE1-CZ 3.75Å; F326-F334 HydrophobicContact CE1-CZ 3.75Å; T327-F334 HydrophobicContact CG2-CD2 4.14Å; M330-F334 HydrophobicContact CB-CE2 4.24Å; M330-F334 HydrophobicContact CG-CE2 4.44Å; I332-F334 HydrophobicContact CD1-CE1 4.1Å; I332-F334 HydrophobicContact CD1-CE2 4.21Å; I332-F334 HydrophobicContact CD1-CZ 3.68Å; I332-F334 HydrophobicContact CG1-CE2 3.86Å; I332-F334 HydrophobicContact CG1-CZ 3.87Å; I332-F334 PolarHBondContact O-N 2.94Å; F334-V336 PolarHBondContact O-N 3.45Å
335S82.2Confident75.4Confident119 Ų11963.6 Ų63.683%0.83237%0.373SS*.SBendtrans-71.4-15.1-179.9-53.20000114.1P333P333-S335 PolarHBondContact O-N 2.78Å
336V86.7Confident75.4Confident131 Ų13165.2 Ų65.279%0.79439%0.391SS*.  trans-129.7113.5175.7-179.60000107.2F334F334-V336 PolarHBondContact O-N 3.45Å
337C83.2Confident75.1Confident73 Ų7369 Ų6949%0.49342%0.419SS..  trans-120.8140.4173.3-69.70000108.6L323L323-C337 HydrophobicContact CD1-CB 4.21Å
338M84.5Confident75.1Confident169 Ų16970.4 Ų70.483%0.83342%0.422SS*.  trans-145.5123.2-179.4179170.561.600108.4
339E78.6Confident75.4Confident90 Ų9068.5 Ų68.542%0.42141%0.412SS..  trans-114.2127.2170.1-171.9161.8173.600107.1S321 L323S321-E339 WeakPolarHBondContact CB-OE1 3.46Å; S321-E339 VanDerWaalsContact CB-OE2 3.23Å; S321-E339 WeakPolarHBondContact CB-OE2 3.49Å; S321-E339 PolarHBondContact OG-OE1 2.91Å; L323-E339 HydrophobicContact CD1-CB 4.09Å
340G75.2Confident75.7Confident59 Ų5970.1 Ų70.161%0.60842%0.419SS*.PPolyproline II helixtrans-86.9148.8-178.200000111.9
341E72Confident76Confident176 Ų17670.1 Ų70.182%0.82242%0.419SS*.PPolyproline II helixtrans-66.9160.4169.5-66.4-172.3164.800111.7V343E341-V343 PolarHBondContact O-N 3.45Å
342H69.5Low76.6Confident39 Ų3967.5 Ų67.518%0.18141%0.41CS..PPolyproline II helixtrans-64123.1179-164.7-92.7000111.2V344 F349 I620 W644 P648H342-V344 PolarHBondContact ND1-N 3.45Å; H342-V344 PolarHBondContact ND1-O 2.94Å; H342-V344 PolarHBondContact O-N 2.96Å; H342-V344 VanDerWaalsContact O-N 3.15Å; H342-F349 AromaticContact CE1-CD1 3.66Å; H342-F349 AromaticContact NE2-CD1 3.71Å; H342-F349 AromaticContact NE2-CE1 3.82Å; H342-I620 VanDerWaalsContact CE1-CD1 3.45Å; H342-I620 WeakPolarHBondContact CE1-CD1 3.36Å; H342-I620 VanDerWaalsContact NE2-CD1 3.33Å; H342-I620 WeakPolarHBondContact NE2-CD1 3.47Å; H342-W644 AromaticContact CD2-CE3 3.78Å; H342-W644 PolarHBondContact CD2-O 3.12Å; H342-P648 HydrophobicContact CB-CG 4.24Å
343V71.2Confident77.2Confident108 Ų10867.1 Ų67.166%0.65541%0.408SS*.SBendtrans-65.6-21.8-171.6-163.40000113.2E341 K623E341-V343 PolarHBondContact O-N 3.45Å; V343-K623 HydrophobicContact CG1-CB 4.21Å; V343-K623 WeakPolarHBondContact O-CA 3Å; V343-K623 VanDerWaalsContact O-CB 3.26Å; V343-K623 WeakPolarHBondContact O-CB 3.25Å
344V70.2Confident78Confident2 Ų262.4 Ų62.41%0.01238%0.377CS..SBendtrans-108133.8-178.8174.80000110.4H342 H348 F349 I620 H622H342-V344 PolarHBondContact ND1-N 3.45Å; H342-V344 PolarHBondContact ND1-O 2.94Å; H342-V344 PolarHBondContact O-N 2.96Å; H342-V344 VanDerWaalsContact O-N 3.15Å; V344-H348 HydrophobicContact CG1-CB 3.56Å; V344-F349 HydrophobicContact CG1-CB 4.2Å; V344-I620 HydrophobicContact CG2-CG2 3.52Å; V344-H622 WeakPolarHBondContact CG2-O 3.5Å
345G67.8Low78.3Confident43 Ų4361.3 Ų61.344%0.44338%0.375SS..  trans-70.4146.9174.500000113S347 H348G345-S347 PolarHBondContact O-N 3.49Å; G345-H348 PolarHBondContact O-N 2.99Å
346G67.5Low78.7Confident41 Ų4158.5 Ų58.542%0.42335%0.351SS..THydrogen-bonded Turntrans-60.4-4.3-172.900000117.1H348G346-H348 VanDerWaalsContact C-N 3.34Å
347S70Confident78.9Confident87 Ų8752.6 Ų52.661%0.60832%0.316SS*.THydrogen-bonded Turntrans-79.3-11.4170.151.10000114.5G345G345-S347 PolarHBondContact O-N 3.49Å
348H76.6Confident79.2Confident67 Ų6752.2 Ų52.231%0.3131%0.313SS..THydrogen-bonded Turntrans-116-14.1-176.4-58.8-89.3000113.4V344 G345 G346 D625 F626 G627V344-H348 HydrophobicContact CG1-CB 3.56Å; G345-H348 PolarHBondContact O-N 2.99Å; G346-H348 VanDerWaalsContact C-N 3.34Å; H348-D625 WeakPolarHBondContact CB-O 3.44Å; H348-F626 HydrophobicContact CB-CB 3.97Å; H348-F626 WeakPolarHBondContact O-CA 3.45Å; H348-F626 VanDerWaalsContact O-CB 3.27Å; H348-F626 WeakPolarHBondContact O-CB 3.33Å; H348-G627 PolarHBondContact O-N 2.96Å
349F79.3Confident79.5Confident1 Ų147.9 Ų47.90%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-131.9122.5-178.5180-116.4000111.5H342 V344 V351 I616 V619 I620 G627 V629 I645H342-F349 AromaticContact CE1-CD1 3.66Å; H342-F349 AromaticContact NE2-CD1 3.71Å; H342-F349 AromaticContact NE2-CE1 3.82Å; V344-F349 HydrophobicContact CG1-CB 4.2Å; F349-V351 HydrophobicContact CD1-CG2 4.36Å; F349-V351 HydrophobicContact CE1-CG2 3.68Å; F349-V351 HydrophobicContact CZ-CG2 3.84Å; F349-I616 HydrophobicContact CZ-CG2 4.28Å; F349-V619 HydrophobicContact CD2-CG1 4.21Å; F349-V619 HydrophobicContact CE2-CB 4.15Å; F349-V619 HydrophobicContact CE2-CG1 3.98Å; F349-I620 HydrophobicContact CB-CD1 4.39Å; F349-I620 HydrophobicContact CD1-CD1 3.94Å; F349-I620 HydrophobicContact CD2-CD1 3.48Å; F349-I620 VanDerWaalsContact CD2-CD1 3.48Å; F349-I620 HydrophobicContact CD2-CG1 3.89Å; F349-I620 HydrophobicContact CE1-CD1 3.96Å; F349-I620 HydrophobicContact CE2-CD1 3.51Å; F349-I620 HydrophobicContact CE2-CG1 4.1Å; F349-I620 HydrophobicContact CG-CD1 3.68Å; F349-I620 HydrophobicContact CG-CG1 4.37Å; F349-I620 HydrophobicContact CZ-CD1 3.75Å; F349-G627 WeakPolarHBondContact CA-O 3.35Å; F349-V629 HydrophobicContact CE2-CG2 3.66Å; F349-V629 HydrophobicContact CZ-CG2 3.62Å; F349-I645 HydrophobicContact CE1-CG2 4.26Å
350E80.8Confident80.1Confident44 Ų4446 Ų4621%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-127147.8-176.5-58.6-173.8144.700111.7Y352 G627 A628 V629 L667E350-Y352 HydrophobicContact CB-CD2 4.44Å; E350-Y352 HydrophobicContact CB-CE2 3.56Å; E350-Y352 PolarHBondContact OE1-OH 2.92Å; E350-Y352 WeakPolarHBondContact OE2-CE2 3.48Å; E350-Y352 PolarHBondContact OE2-OH 3.23Å; E350-G627 PolarHBondContact N-O 2.9Å; E350-A628 CarbonylContact O-C 3.57Å; E350-A628 VanDerWaalsContact O-CA 3.23Å; E350-A628 WeakPolarHBondContact O-CA 3.18Å; E350-V629 PolarHBondContact O-N 3.48Å; E350-L667 HydrophobicContact CB-CD2 4.39Å; E350-L667 HydrophobicContact CG-CD1 4.21Å; E350-L667 HydrophobicContact CG-CD2 4.11Å
351V82.7Confident80.9Confident1 Ų143.9 Ų43.91%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-132.9131.5-176.9-175.80000110.2F349 V629 L631 I645 V649 L653F349-V351 HydrophobicContact CD1-CG2 4.36Å; F349-V351 HydrophobicContact CE1-CG2 3.68Å; F349-V351 HydrophobicContact CZ-CG2 3.84Å; V351-V629 WeakPolarHBondContact CA-O 3.46Å; V351-V629 HydrophobicContact CB-CB 4.39Å; V351-V629 HydrophobicContact CG1-CB 4.07Å; V351-V629 HydrophobicContact CG1-CG1 4.16Å; V351-V629 HydrophobicContact CG2-CB 4.11Å; V351-V629 HydrophobicContact CG2-CG2 4.39Å; V351-L631 HydrophobicContact CG1-CD1 4.04Å; V351-L631 HydrophobicContact CG1-CG 4.43Å; V351-I645 HydrophobicContact CG1-CG2 4.38Å; V351-I645 HydrophobicContact CG2-CG2 3.66Å; V351-V649 HydrophobicContact CB-CG1 4.01Å; V351-V649 HydrophobicContact CB-CG2 4.08Å; V351-V649 HydrophobicContact CG2-CG1 4.22Å; V351-V649 HydrophobicContact CG2-CG2 3.98Å; V351-L653 HydrophobicContact CB-CD2 4.24Å; V351-L653 HydrophobicContact CG1-CD2 4.48Å; V351-L653 WeakPolarHBondContact O-CD2 3.44Å
352Y86Confident81.9Confident8 Ų837.8 Ų37.83%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-133.3119.7-170.8-64.6-62.2000111.9E350 V629 I630 L631 Y655 T660 K663 L664E350-Y352 HydrophobicContact CB-CD2 4.44Å; E350-Y352 HydrophobicContact CB-CE2 3.56Å; E350-Y352 PolarHBondContact OE1-OH 2.92Å; E350-Y352 WeakPolarHBondContact OE2-CE2 3.48Å; E350-Y352 PolarHBondContact OE2-OH 3.23Å; Y352-V629 PolarHBondContact N-O 2.89Å; Y352-I630 CarbonylContact O-C 3.58Å; Y352-I630 WeakPolarHBondContact O-CA 3.39Å; Y352-L631 PolarHBondContact O-N 3.42Å; Y352-Y655 AromaticContact CD1-CD2 3.52Å; Y352-Y655 HydrophobicContact CD1-CD2 3.52Å; Y352-Y655 AromaticContact CD1-CE2 3.78Å; Y352-Y655 HydrophobicContact CD1-CE2 3.78Å; Y352-Y655 HydrophobicContact CD1-CG 4.38Å; Y352-Y655 AromaticContact CE1-CD2 3.99Å; Y352-Y655 HydrophobicContact CE1-CD2 3.99Å; Y352-Y655 AromaticContact CE1-CE2 3.88Å; Y352-Y655 HydrophobicContact CE1-CE2 3.88Å; Y352-T660 HydrophobicContact CD1-CG2 4.48Å; Y352-T660 HydrophobicContact CD2-CG2 3.86Å; Y352-T660 HydrophobicContact CG-CG2 3.74Å; Y352-K663 HydrophobicContact CE1-CB 4.35Å; Y352-K663 HydrophobicContact CE1-CD 3.61Å; Y352-K663 VanDerWaalsContact OH-CB 3.31Å; Y352-K663 WeakPolarHBondContact OH-CB 3.14Å; Y352-K663 VanDerWaalsContact OH-CD 3.26Å; Y352-K663 WeakPolarHBondContact OH-CD 3.42Å; Y352-L664 HydrophobicContact CD2-CD2 4.29Å; Y352-L664 HydrophobicContact CE2-CD2 4.11Å; Y352-L664 HydrophobicContact CE2-CG 4.37Å
353V85.8Confident82.9Confident3 Ų336 Ų362%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-86119.1167.2-1770000108.6P355 L631 I636 L653 L654 Y655V353-P355 WeakPolarHBondContact O-CD 3.47Å; V353-L631 HydrophobicContact CG2-CB 4.24Å; V353-L631 HydrophobicContact CG2-CD1 4.13Å; V353-I636 HydrophobicContact CG1-CB 4.49Å; V353-I636 HydrophobicContact CG2-CG2 4.27Å; V353-L653 HydrophobicContact CG2-CB 4.16Å; V353-L653 PolarHBondContact N-O 3.41Å; V353-L654 HydrophobicContact CB-CD2 3.86Å; V353-L654 HydrophobicContact CB-CG 4.43Å; V353-L654 HydrophobicContact CG1-CD2 3.59Å; V353-Y655 PolarHBondContact O-N 2.95Å
354C88.2Confident83.8Confident2 Ų233 Ų331%0.01422%0.222CC..  trans-110.184.7179.8-72.70000110.2N356 I630 L631 T660C354-N356 PolarHBondContact O-N 3.1Å; C354-I630 HydrophobicContact CB-CG2 4.21Å; C354-L631 PolarHBondContact N-O 3.45Å; C354-T660 PolarHBondContact SG-OG1 2.94Å
355P85.9Confident84.5Confident24 Ų2433.8 Ų33.816%0.15623%0.23CC..  trans-71.5-15.9-176.829.3-36.1000113.8V353 S362 L363 C634 L654V353-P355 WeakPolarHBondContact O-CD 3.47Å; P355-S362 CarbonylContact O-C 3.6Å; P355-S362 WeakPolarHBondContact O-CA 3.49Å; P355-L363 PolarHBondContact O-N 3.47Å; P355-C634 HydrophobicContact CB-CB 3.68Å; P355-L654 HydrophobicContact CG-CD2 4.11Å
356N91Very high85.4Confident61 Ų6134.2 Ų34.233%0.32623%0.226SC..BIsolated β-bridgetrans-135.2140.2-175.6-61.674.8000111.4C354 G360 T361C354-N356 PolarHBondContact O-N 3.1Å; N356-G360 PolarHBondContact ND2-O 3.11Å; N356-T361 CarbonylContact C-O 3.57Å; N356-T361 WeakPolarHBondContact CA-O 3.3Å
357G90.7Very high86.3Confident6 Ų641 Ų416%0.06224%0.24CC..  trans-82.9-177.1171.600000113.2D359 G360 T361 S378 S382G357-D359 PolarHBondContact O-N 3.44Å; G357-D359 VanDerWaalsContact O-N 3.13Å; G357-G360 PolarHBondContact O-N 3.13Å; G357-T361 PolarHBondContact N-O 3.49Å; G357-S378 WeakPolarHBondContact CA-OG 3.28Å; G357-S382 WeakPolarHBondContact CA-OG 3.43Å
358P90.7Very high87.1Confident66 Ų6641 Ų4143%0.42925%0.246SC..THydrogen-bonded Turntrans-71.3-9.8-168.528.2-34000114.9N381 S382 L657P358-N381 HydrophobicContact CG-CB 3.62Å; P358-S382 WeakPolarHBondContact CD-OG 3.01Å; P358-L657 HydrophobicContact CB-CD2 4.11Å; P358-L657 HydrophobicContact CG-CD2 4.19Å
359D90.9Very high87.8Confident78 Ų7839.5 Ų39.542%0.41724%0.24SC..THydrogen-bonded Turntrans-101.113.417375.2-35.7000112.6G357 T361 K374 S378G357-D359 PolarHBondContact O-N 3.44Å; G357-D359 VanDerWaalsContact O-N 3.13Å; D359-T361 PolarHBondContact O-N 3.33Å; D359-T361 WeakPolarHBondContact OD1-CB 3.15Å; D359-T361 PolarHBondContact OD1-N 2.81Å; D359-T361 PolarHBondContact OD1-OG1 3.09Å; D359-T361 VanDerWaalsContact OD1-OG1 3.09Å; D359-T361 PolarHBondContact OD2-OG1 2.9Å; D359-K374 WeakPolarHBondContact OD2-CE 3.4Å; D359-K374 IonicContact OD2-NZ 3.51Å; D359-K374 PolarHBondContact OD2-NZ 3.41Å; D359-S378 VanDerWaalsContact OD1-CB 3.23Å; D359-S378 WeakPolarHBondContact OD1-CB 3.18Å; D359-S378 PolarHBondContact OD1-OG 2.9Å
360G90.3Very high88.2Confident50 Ų5043.3 Ų43.352%0.51526%0.255SS..SBendtrans73.7-3.4-174.800000114.8N356 G357 S362N356-G360 PolarHBondContact ND2-O 3.11Å; G357-G360 PolarHBondContact O-N 3.13Å; G360-S362 PolarHBondContact O-N 3.22Å
361T92.2Very high88.6Confident15 Ų1544.7 Ų44.79%0.09227%0.269CS..  trans-64.4128.9178.1-64.10000110.6N356 G357 D359 L363 K374N356-T361 CarbonylContact C-O 3.57Å; N356-T361 WeakPolarHBondContact CA-O 3.3Å; G357-T361 PolarHBondContact N-O 3.49Å; D359-T361 PolarHBondContact O-N 3.33Å; D359-T361 WeakPolarHBondContact OD1-CB 3.15Å; D359-T361 PolarHBondContact OD1-N 2.81Å; D359-T361 PolarHBondContact OD1-OG1 3.09Å; D359-T361 VanDerWaalsContact OD1-OG1 3.09Å; D359-T361 PolarHBondContact OD2-OG1 2.9Å; T361-L363 PolarHBondContact O-N 2.8Å; T361-K374 HydrophobicContact CG2-CD 4.28Å; T361-K374 HydrophobicContact CG2-CG 4.31Å; T361-K374 VanDerWaalsContact OG1-CD 3.25Å; T361-K374 WeakPolarHBondContact OG1-CD 3.32Å; T361-K374 WeakPolarHBondContact OG1-CE 3.03Å; T361-K374 PolarHBondContact OG1-NZ 2.83Å
362S91.8Very high89Confident48 Ų4847.9 Ų47.934%0.33629%0.286SS..BIsolated β-bridgetrans-57.1125.2170.9167.40000110.3P355 G360 N364 C634P355-S362 CarbonylContact O-C 3.6Å; P355-S362 WeakPolarHBondContact O-CA 3.49Å; G360-S362 PolarHBondContact O-N 3.22Å; S362-N364 PolarHBondContact O-N 3.18Å; S362-C634 PolarHBondContact OG-SG 3.4Å
363L92.2Very high89.3Confident1 Ų155 Ų551%0.00532%0.318CS..  trans-81.4101.4173.7-58.8-175.9000107.3P355 T361 Y375 L379 A632 D633 C634P355-L363 PolarHBondContact O-N 3.47Å; T361-L363 PolarHBondContact O-N 2.8Å; L363-Y375 HydrophobicContact CB-CE2 4.28Å; L363-Y375 HydrophobicContact CD2-CD2 4.39Å; L363-Y375 HydrophobicContact CD2-CE2 4.46Å; L363-L379 HydrophobicContact CD2-CB 4.27Å; L363-A632 HydrophobicContact CD1-CB 4.19Å; L363-D633 CarbonylContact O-C 3.59Å; L363-D633 VanDerWaalsContact O-CA 3.29Å; L363-D633 WeakPolarHBondContact O-CA 3.41Å; L363-C634 PolarHBondContact O-N 2.94Å; L363-C634 PolarHBondContact O-SG 2.97Å
364N89.3Confident89.6Confident45 Ų4560.3 Ų60.324%0.24134%0.34CS..  trans-133.7102.7-176.3-179.2-39.8000109.1S362 S366 N369S362-N364 PolarHBondContact O-N 3.18Å; N364-S366 VanDerWaalsContact C-N 3.27Å; N364-S366 PolarHBondContact O-N 3.36Å; N364-S366 WeakPolarHBondContact OD1-CB 3.48Å; N364-S366 PolarHBondContact OD1-N 3.04Å; N364-S366 VanDerWaalsContact OD1-N 3.1Å; N364-S366 PolarHBondContact OD1-OG 3.35Å; N364-N369 PolarHBondContact O-ND2 2.88Å
365G85.7Confident89.9Confident18 Ų1860.3 Ų60.319%0.18634%0.34CS..  trans-8410.5-178.700000114.7Y375 D633G365-Y375 VanDerWaalsContact CA-OH 3.31Å; G365-Y375 WeakPolarHBondContact CA-OH 3.47Å; G365-D633 WeakPolarHBondContact CA-OD2 3.49Å; G365-D633 PolarHBondContact N-OD2 2.97Å
366S86.8Confident90.2Very high53 Ų5359.2 Ų59.237%0.37133%0.333SS..SBendtrans-57.8156.7178.268.60000112.5N364 A368 N369 R370N364-S366 VanDerWaalsContact C-N 3.27Å; N364-S366 PolarHBondContact O-N 3.36Å; N364-S366 WeakPolarHBondContact OD1-CB 3.48Å; N364-S366 PolarHBondContact OD1-N 3.04Å; N364-S366 VanDerWaalsContact OD1-N 3.1Å; N364-S366 PolarHBondContact OD1-OG 3.35Å; S366-A368 PolarHBondContact O-N 3.1Å; S366-N369 PolarHBondContact O-N 3.41Å; S366-R370 WeakPolarHBondContact O-CB 3.32Å; S366-R370 PolarHBondContact O-N 3.45Å
367Y85.3Confident90.3Very high182 Ų18257.7 Ų57.771%0.71433%0.328SS*.THydrogen-bonded Turntrans-50.1-36.7-178.5-174.7-83.7000113.6R370Y367-R370 VanDerWaalsContact CD2-NH2 3.32Å
368A88Confident90.5Very high88 Ų8857.5 Ų57.573%0.72733%0.326SS*.THydrogen-bonded Turntrans-77.2-30.5-178.300000114.1S366S366-A368 PolarHBondContact O-N 3.1Å
369N90.2Very high90.7Very high36 Ų3654.4 Ų54.419%0.19331%0.306CS..THydrogen-bonded Turntrans-106.2-16.6-175.1-172.566.1000114N364 S366 S371 N372N364-N369 PolarHBondContact O-ND2 2.88Å; S366-N369 PolarHBondContact O-N 3.41Å; N369-S371 PolarHBondContact O-N 3.42Å; N369-N372 WeakPolarHBondContact O-CB 3.32Å; N369-N372 PolarHBondContact O-N 2.95Å; N369-N372 WeakPolarHBondContact OD1-CB 3.48Å; N369-N372 PolarHBondContact OD1-ND2 2.97Å
370R87.9Confident90.9Very high80 Ų8050.7 Ų50.730%0.30229%0.286SS..THydrogen-bonded Turntrans-59.2-19.2-178.569.5-171.6-178.4142.62.5115.6S366 Y367S366-R370 WeakPolarHBondContact O-CB 3.32Å; S366-R370 PolarHBondContact O-N 3.45Å; Y367-R370 VanDerWaalsContact CD2-NH2 3.32Å
371S89.1Confident91.1Very high74 Ų7450.3 Ų50.352%0.51727%0.273SS..THydrogen-bonded Turntrans-89.1-7.7174.357.40000114.1N369 K373N369-S371 PolarHBondContact O-N 3.42Å; S371-K373 PolarHBondContact O-N 3Å
372N91.9Very high91.2Very high68 Ų6849.8 Ų49.836%0.36427%0.269SS..  trans-71.2117.8-176.3-179.3-8.2000111.3N369 K374 Y375 L376N369-N372 WeakPolarHBondContact O-CB 3.32Å; N369-N372 PolarHBondContact O-N 2.95Å; N369-N372 WeakPolarHBondContact OD1-CB 3.48Å; N369-N372 PolarHBondContact OD1-ND2 2.97Å; N372-K374 PolarHBondContact O-N 3.39Å; N372-K374 VanDerWaalsContact O-N 3.14Å; N372-K374 PolarHBondContact OD1-N 3.09Å; N372-Y375 WeakPolarHBondContact O-CB 3.46Å; N372-Y375 PolarHBondContact O-N 2.86Å; N372-L376 WeakPolarHBondContact O-CG 3.16Å; N372-L376 PolarHBondContact O-N 2.86Å
373K91.7Very high91.4Very high158 Ų15847.6 Ų47.669%0.68725%0.254SS*.Hα-helixtrans-57.1-30.4-179.9-62.7178.8-176.9176.30113.3S371 A377S371-K373 PolarHBondContact O-N 3Å; K373-A377 VanDerWaalsContact O-CB 3.28Å; K373-A377 WeakPolarHBondContact O-CB 3.27Å; K373-A377 PolarHBondContact O-N 3.36Å
374K92Very high91.5Very high114 Ų11447.6 Ų47.650%0.49625%0.254SS..Hα-helixtrans-70.2-42.9176.1-156.4-170.6-172.1-136.80111.5D359 T361 N372 A377 S378D359-K374 WeakPolarHBondContact OD2-CE 3.4Å; D359-K374 IonicContact OD2-NZ 3.51Å; D359-K374 PolarHBondContact OD2-NZ 3.41Å; T361-K374 HydrophobicContact CG2-CD 4.28Å; T361-K374 HydrophobicContact CG2-CG 4.31Å; T361-K374 VanDerWaalsContact OG1-CD 3.25Å; T361-K374 WeakPolarHBondContact OG1-CD 3.32Å; T361-K374 WeakPolarHBondContact OG1-CE 3.03Å; T361-K374 PolarHBondContact OG1-NZ 2.83Å; N372-K374 PolarHBondContact O-N 3.39Å; N372-K374 VanDerWaalsContact O-N 3.14Å; N372-K374 PolarHBondContact OD1-N 3.09Å; K374-A377 PolarHBondContact O-N 3.3Å; K374-S378 VanDerWaalsContact O-CB 3.25Å; K374-S378 WeakPolarHBondContact O-CB 3.49Å; K374-S378 PolarHBondContact O-N 2.73Å
375Y93.6Very high91.8Very high2 Ų246.9 Ų46.91%0.00825%0.25CS..Hα-helixtrans-61.2-50.8174165.3-108.3000111.4L363 G365 N372 A377 S378 L379L363-Y375 HydrophobicContact CB-CE2 4.28Å; L363-Y375 HydrophobicContact CD2-CD2 4.39Å; L363-Y375 HydrophobicContact CD2-CE2 4.46Å; G365-Y375 VanDerWaalsContact CA-OH 3.31Å; G365-Y375 WeakPolarHBondContact CA-OH 3.47Å; N372-Y375 WeakPolarHBondContact O-CB 3.46Å; N372-Y375 PolarHBondContact O-N 2.86Å; Y375-A377 VanDerWaalsContact C-N 3.32Å; Y375-A377 PolarHBondContact O-N 2.96Å; Y375-S378 PolarHBondContact O-N 2.72Å; Y375-L379 HydrophobicContact CE1-CD2 4.3Å; Y375-L379 HydrophobicContact CE2-CD2 4.45Å; Y375-L379 VanDerWaalsContact O-CB 3.22Å; Y375-L379 WeakPolarHBondContact O-CB 3.46Å; Y375-L379 PolarHBondContact O-N 2.67Å
376L93.4Very high92.2Very high1 Ų146.1 Ų46.11%0.00524%0.242CC..Hα-helixtrans-56.8-43.6178.3-63.1170.6000112.4N372 G380 F406 H410 W411N372-L376 WeakPolarHBondContact O-CG 3.16Å; N372-L376 PolarHBondContact O-N 2.86Å; L376-G380 PolarHBondContact O-N 3.48Å; L376-G380 VanDerWaalsContact O-N 3.08Å; L376-F406 HydrophobicContact CD1-CD1 4.32Å; L376-F406 HydrophobicContact CD1-CE1 3.56Å; L376-F406 HydrophobicContact CD1-CZ 4.06Å; L376-F406 HydrophobicContact CD2-CD1 4.04Å; L376-F406 HydrophobicContact CD2-CE1 3.93Å; L376-F406 HydrophobicContact CG-CE1 4.3Å; L376-H410 HydrophobicContact CD1-CB 4.17Å; L376-W411 PolarHBondContact O-NE1 3.41Å
377A92.9Very high92.5Very high28 Ų2843.9 Ų43.923%0.23123%0.226CC..Hα-helixtrans-70.2-41.517800000112.3K373 K374 Y375 G380 N381K373-A377 VanDerWaalsContact O-CB 3.28Å; K373-A377 WeakPolarHBondContact O-CB 3.27Å; K373-A377 PolarHBondContact O-N 3.36Å; K374-A377 PolarHBondContact O-N 3.3Å; Y375-A377 VanDerWaalsContact C-N 3.32Å; Y375-A377 PolarHBondContact O-N 2.96Å; A377-G380 PolarHBondContact O-N 3.33Å; A377-N381 PolarHBondContact O-N 3.04Å; A377-N381 PolarHBondContact O-ND2 3.22Å
378S93.8Very high92.8Very high2 Ų242.3 Ų42.31%0.01422%0.219CC..Hα-helixtrans-63.5-52.1177.9-171.50000111.2G357 D359 K374 Y375 G380 N381 S382G357-S378 WeakPolarHBondContact CA-OG 3.28Å; D359-S378 VanDerWaalsContact OD1-CB 3.23Å; D359-S378 WeakPolarHBondContact OD1-CB 3.18Å; D359-S378 PolarHBondContact OD1-OG 2.9Å; K374-S378 VanDerWaalsContact O-CB 3.25Å; K374-S378 WeakPolarHBondContact O-CB 3.49Å; K374-S378 PolarHBondContact O-N 2.73Å; Y375-S378 PolarHBondContact O-N 2.72Å; S378-G380 VanDerWaalsContact C-N 3.32Å; S378-G380 PolarHBondContact O-N 3.01Å; S378-N381 CarbonylContact O-C 3.57Å; S378-N381 WeakPolarHBondContact O-CA 3.49Å; S378-N381 WeakPolarHBondContact O-CB 3.31Å; S378-N381 PolarHBondContact O-N 3.14Å; S378-S382 PolarHBondContact O-N 3.35Å; S378-S382 PolarHBondContact O-OG 3.2Å
379L95Very high92.9Very high1 Ų140.9 Ų40.91%0.00520%0.198CC..Hα-helixtrans-53.3-46.5174.9-178.969.4000112.1L363 Y375 N381 S382 V383 W411 I490L363-L379 HydrophobicContact CD2-CB 4.27Å; Y375-L379 HydrophobicContact CE1-CD2 4.3Å; Y375-L379 HydrophobicContact CE2-CD2 4.45Å; Y375-L379 VanDerWaalsContact O-CB 3.22Å; Y375-L379 WeakPolarHBondContact O-CB 3.46Å; Y375-L379 PolarHBondContact O-N 2.67Å; L379-N381 VanDerWaalsContact C-N 3.32Å; L379-N381 PolarHBondContact O-N 2.97Å; L379-S382 VanDerWaalsContact O-CB 3.31Å; L379-S382 WeakPolarHBondContact O-CB 3.43Å; L379-S382 PolarHBondContact O-N 3Å; L379-S382 VanDerWaalsContact O-N 3.13Å; L379-V383 PolarHBondContact O-N 3.06Å; L379-W411 HydrophobicContact CD2-CZ2 4.07Å; L379-W411 HydrophobicContact CG-CZ2 4.04Å; L379-I490 HydrophobicContact CD1-CD1 4.06Å; L379-I490 HydrophobicContact CD1-CG1 4.14Å; L379-I490 HydrophobicContact CD1-CG2 4.01Å; L379-I490 HydrophobicContact CD2-CD1 4.32Å; L379-I490 HydrophobicContact CD2-CG2 3.78Å; L379-I490 HydrophobicContact CG-CD1 4.38Å
380G95.1Very high92.9Very high0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-64-34.5176.800000113.6L376 A377 S378 V384 W411L376-G380 PolarHBondContact O-N 3.48Å; L376-G380 VanDerWaalsContact O-N 3.08Å; A377-G380 PolarHBondContact O-N 3.33Å; S378-G380 VanDerWaalsContact C-N 3.32Å; S378-G380 PolarHBondContact O-N 3.01Å; G380-V384 WeakPolarHBondContact O-CG2 3.34Å; G380-V384 PolarHBondContact O-N 2.88Å; G380-W411 VanDerWaalsContact CA-CE2 3.41Å; G380-W411 VanDerWaalsContact CA-CZ2 3.49Å
381N94.4Very high92.9Very high43 Ų4337 Ų3723%0.2319%0.185CC..Hα-helixtrans-72.3-32.4171.8-76.9-75.8000112.4P358 A377 S378 L379 V384 N385 R426P358-N381 HydrophobicContact CG-CB 3.62Å; A377-N381 PolarHBondContact O-N 3.04Å; A377-N381 PolarHBondContact O-ND2 3.22Å; S378-N381 CarbonylContact O-C 3.57Å; S378-N381 WeakPolarHBondContact O-CA 3.49Å; S378-N381 WeakPolarHBondContact O-CB 3.31Å; S378-N381 PolarHBondContact O-N 3.14Å; L379-N381 VanDerWaalsContact C-N 3.32Å; L379-N381 PolarHBondContact O-N 2.97Å; N381-V384 PolarHBondContact O-N 2.8Å; N381-N385 PolarHBondContact O-N 2.89Å; N381-R426 VanDerWaalsContact OD1-CZ 3.26Å; N381-R426 PolarHBondContact OD1-NH1 2.84Å; N381-R426 PolarHBondContact OD1-NH2 3.1Å
382S95.3Very high92.7Very high4 Ų436.4 Ų36.43%0.02817%0.174CC..Hα-helixtrans-60.1-48.3170.5-53.20000111.2G357 P358 S378 L379 V384 N385 L386G357-S382 WeakPolarHBondContact CA-OG 3.43Å; P358-S382 WeakPolarHBondContact CD-OG 3.01Å; S378-S382 PolarHBondContact O-N 3.35Å; S378-S382 PolarHBondContact O-OG 3.2Å; L379-S382 VanDerWaalsContact O-CB 3.31Å; L379-S382 WeakPolarHBondContact O-CB 3.43Å; L379-S382 PolarHBondContact O-N 3Å; L379-S382 VanDerWaalsContact O-N 3.13Å; S382-V384 PolarHBondContact O-N 2.9Å; S382-N385 PolarHBondContact O-N 3.27Å; S382-N385 VanDerWaalsContact O-N 3.13Å; S382-L386 WeakPolarHBondContact O-CG 3.5Å; S382-L386 PolarHBondContact O-N 3.1Å
383V95.9Very high92.7Very high2 Ų233.1 Ų33.11%0.01216%0.157CC..Hα-helixtrans-60.5-44.5175.8175.60000111.4L379 N385 L386 C387 V396 W411 I427 F466 I490L379-V383 PolarHBondContact O-N 3.06Å; V383-N385 VanDerWaalsContact C-N 3.26Å; V383-N385 PolarHBondContact O-N 2.68Å; V383-L386 PolarHBondContact O-N 3.37Å; V383-C387 WeakPolarHBondContact O-CB 3.36Å; V383-C387 PolarHBondContact O-N 2.95Å; V383-C387 PolarHBondContact O-SG 3.19Å; V383-V396 HydrophobicContact CG2-CG1 4.48Å; V383-W411 HydrophobicContact CG2-CH2 4.03Å; V383-I427 HydrophobicContact CB-CD1 4.44Å; V383-I427 HydrophobicContact CG1-CD1 3.79Å; V383-F466 HydrophobicContact CG1-CE1 4.01Å; V383-F466 HydrophobicContact CG1-CZ 4.21Å; V383-I490 HydrophobicContact CG2-CD1 4.49Å
384V95.1Very high92.8Very high1 Ų125.6 Ų25.61%0.00612%0.124CC..Hα-helixtrans-58.1-38.1174.7170.40000111.9G380 N381 S382 R388 I423 R426 I427 L430G380-V384 WeakPolarHBondContact O-CG2 3.34Å; G380-V384 PolarHBondContact O-N 2.88Å; N381-V384 PolarHBondContact O-N 2.8Å; S382-V384 PolarHBondContact O-N 2.9Å; V384-R388 WeakPolarHBondContact O-CG 3.27Å; V384-I423 HydrophobicContact CG2-CG2 4.05Å; V384-R426 HydrophobicContact CG1-CB 4.24Å; V384-R426 HydrophobicContact CG2-CB 3.99Å; V384-I427 HydrophobicContact CG2-CD1 4.16Å; V384-I427 HydrophobicContact CG2-CG1 3.47Å; V384-I427 VanDerWaalsContact CG2-CG1 3.47Å; V384-L430 HydrophobicContact CG1-CD1 4.09Å
385N94.5Very high92.9Very high29 Ų2920.2 Ų20.216%0.15510%0.101CC..Hα-helixtrans-70.7-43.1177.4-74.7-16000112.4N381 S382 V383 C387 R388 L661N381-N385 PolarHBondContact O-N 2.89Å; S382-N385 PolarHBondContact O-N 3.27Å; S382-N385 VanDerWaalsContact O-N 3.13Å; V383-N385 VanDerWaalsContact C-N 3.26Å; V383-N385 PolarHBondContact O-N 2.68Å; N385-C387 VanDerWaalsContact C-N 3.29Å; N385-C387 PolarHBondContact O-N 2.64Å; N385-R388 WeakPolarHBondContact O-CB 3.12Å; N385-R388 PolarHBondContact O-N 3.46Å; N385-R388 PolarHBondContact OD1-NH1 2.99Å; N385-L661 HydrophobicContact CB-CD1 3.75Å; N385-L661 HydrophobicContact CB-CD2 4.18Å
386L94.2Very high93.1Very high3 Ų320.1 Ų20.12%0.01610%0.1CC..Hα-helixtrans-61.6-38.2175.4-67.8164.7000111.4S382 V383 R388 I389 V390 L394 V488 I630 L661 L664S382-L386 WeakPolarHBondContact O-CG 3.5Å; S382-L386 PolarHBondContact O-N 3.1Å; V383-L386 PolarHBondContact O-N 3.37Å; L386-R388 PolarHBondContact O-N 2.99Å; L386-R388 VanDerWaalsContact O-N 3.13Å; L386-I389 PolarHBondContact O-N 3.42Å; L386-I389 VanDerWaalsContact O-N 3.14Å; L386-V390 WeakPolarHBondContact O-CG2 3.07Å; L386-V390 PolarHBondContact O-N 3.2Å; L386-L394 HydrophobicContact CB-CD2 4.42Å; L386-V488 HydrophobicContact CD1-CG1 4.28Å; L386-V488 HydrophobicContact CD1-CG2 3.83Å; L386-I630 HydrophobicContact CD1-CG2 4.27Å; L386-I630 HydrophobicContact CD2-CD1 4.3Å; L386-I630 HydrophobicContact CD2-CG1 4.08Å; L386-L661 HydrophobicContact CD2-CD2 3.97Å; L386-L661 HydrophobicContact CG-CD2 4.45Å; L386-L664 HydrophobicContact CD2-CD1 3.76Å
387C93.8Very high93.2Very high6 Ų620 Ų204%0.04110%0.1CC..Hα-helixtrans-61.6-17.5174.5-67.50000114.5V383 N385 L394 L430 K431V383-C387 WeakPolarHBondContact O-CB 3.36Å; V383-C387 PolarHBondContact O-N 2.95Å; V383-C387 PolarHBondContact O-SG 3.19Å; N385-C387 VanDerWaalsContact C-N 3.29Å; N385-C387 PolarHBondContact O-N 2.64Å; C387-L394 VanDerWaalsContact SG-CD2 3.58Å; C387-L430 HydrophobicContact CB-CB 4.13Å; C387-L430 HydrophobicContact CB-CD1 3.99Å; C387-K431 HydrophobicContact CB-CD 4.12Å; C387-K431 HydrophobicContact CB-CG 4.43Å
388R91.6Very high93.2Very high149 Ų14918.7 Ų18.756%0.5629%0.089SC*.Hα-helixtrans-85.3-27.4175.9-66167167.2166.3-18.4113.5V384 N385 L386 L430V384-R388 WeakPolarHBondContact O-CG 3.27Å; N385-R388 WeakPolarHBondContact O-CB 3.12Å; N385-R388 PolarHBondContact O-N 3.46Å; N385-R388 PolarHBondContact OD1-NH1 2.99Å; L386-R388 PolarHBondContact O-N 2.99Å; L386-R388 VanDerWaalsContact O-N 3.13Å; R388-L430 HydrophobicContact CG-CD1 3.63Å; R388-L430 HydrophobicContact CG-CD2 4.01Å; R388-L430 HydrophobicContact CG-CG 4.49Å
389I90.3Very high93.1Very high57 Ų5720.3 Ų20.329%0.29210%0.099SC..Hα-helixtrans-105.3-40.4-170.8-57.3-57.4000111.6L386 P391 L661 L664 Y668L386-I389 PolarHBondContact O-N 3.42Å; L386-I389 VanDerWaalsContact O-N 3.14Å; I389-P391 WeakPolarHBondContact O-CD 3.41Å; I389-L661 HydrophobicContact CB-CD2 4.27Å; I389-L661 HydrophobicContact CG1-CB 4.44Å; I389-L661 HydrophobicContact CG1-CD2 3.72Å; I389-L664 HydrophobicContact CG2-CB 3.89Å; I389-Y668 HydrophobicContact CG2-CD2 4.24Å; I389-Y668 WeakPolarHBondContact O-CD2 3.24Å
390V89.9Confident92.9Very high4 Ų422.3 Ų22.32%0.02411%0.113CC..SBendtrans-72.8118.3-178.4179.60000109.7L386 L394 K431 R485 A486 Y668L386-V390 WeakPolarHBondContact O-CG2 3.07Å; L386-V390 PolarHBondContact O-N 3.2Å; V390-L394 HydrophobicContact CB-CD1 4.31Å; V390-L394 HydrophobicContact CG1-CB 4.21Å; V390-L394 HydrophobicContact CG1-CD1 4.12Å; V390-L394 HydrophobicContact CG2-CD1 4.15Å; V390-K431 WeakPolarHBondContact O-CE 3.33Å; V390-K431 PolarHBondContact O-NZ 2.83Å; V390-R485 HydrophobicContact CG1-CB 4.22Å; V390-A486 HydrophobicContact CG1-CB 3.81Å; V390-A486 HydrophobicContact CG2-CB 3.86Å; V390-Y668 HydrophobicContact CB-CE2 4.27Å; V390-Y668 HydrophobicContact CG1-CE2 4.49Å; V390-Y668 HydrophobicContact CG2-CE2 3.99Å
391P86.7Confident92.7Very high30 Ų3023.1 Ų23.120%0.19512%0.117CC..  trans-69.9164.4175.831.2-35.5000111.1I389 G393 R485 Y668I389-P391 WeakPolarHBondContact O-CD 3.41Å; P391-G393 PolarHBondContact O-N 3.23Å; P391-R485 HydrophobicContact CG-CB 4.3Å; P391-R485 HydrophobicContact CG-CG 4.4Å; P391-Y668 VanDerWaalsContact CD-CD2 3.49Å; P391-Y668 HydrophobicContact CG-CD1 3.88Å; P391-Y668 HydrophobicContact CG-CD2 4.44Å; P391-Y668 HydrophobicContact CG-CE1 4.22Å; P391-Y668 HydrophobicContact CG-CG 4.01Å
392Q86.5Confident92.6Very high62 Ų6223.2 Ų23.229%0.2913%0.127SC..SBendtrans52.7-128.6167-57.5163.1-28.500113K431 G462 A463 C482 R485Q392-K431 PolarHBondContact O-NZ 3.43Å; Q392-G462 WeakPolarHBondContact O-CA 3.1Å; Q392-A463 PolarHBondContact O-N 2.55Å; Q392-A463 VanDerWaalsContact O-N 3.08Å; Q392-C482 HydrophobicContact CB-CB 4.17Å; Q392-C482 VanDerWaalsContact CB-O 3.28Å; Q392-C482 WeakPolarHBondContact CB-O 3.3Å; Q392-C482 VanDerWaalsContact CD-SG 3.56Å; Q392-C482 HydrophobicContact CG-CB 4.2Å; Q392-C482 PolarHBondContact NE2-SG 3.3Å; Q392-R485 HydrophobicContact CB-CG 4.34Å
393G90.7Very high92.4Very high0 Ų023.4 Ų23.40%013%0.128CC..EExtended strand (participates in β ladder)trans-79.8130.8-179.400000114.8P391 Y450 A463 C482 R485P391-G393 PolarHBondContact O-N 3.23Å; G393-Y450 WeakPolarHBondContact CA-OH 3.32Å; G393-A463 CarbonylContact C-O 3.57Å; G393-A463 WeakPolarHBondContact CA-O 3.44Å; G393-C482 WeakPolarHBondContact CA-O 3.29Å; G393-C482 PolarHBondContact N-O 3.42Å; G393-R485 PolarHBondContact O-N 2.65Å
394L94Very high92.4Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-121.7115.4173.1172.664.2000109.2L386 C387 V390 V396 K431 A463 V464 F465 A486 V488L386-L394 HydrophobicContact CB-CD2 4.42Å; C387-L394 VanDerWaalsContact SG-CD2 3.58Å; V390-L394 HydrophobicContact CB-CD1 4.31Å; V390-L394 HydrophobicContact CG1-CB 4.21Å; V390-L394 HydrophobicContact CG1-CD1 4.12Å; V390-L394 HydrophobicContact CG2-CD1 4.15Å; L394-V396 HydrophobicContact CD1-CG2 4.47Å; L394-V396 HydrophobicContact CD2-CG2 4.32Å; L394-V396 HydrophobicContact CG-CG2 3.97Å; L394-K431 HydrophobicContact CB-CD 4.12Å; L394-K431 HydrophobicContact CD2-CD 4.28Å; L394-A463 PolarHBondContact N-O 2.92Å; L394-V464 HydrophobicContact CB-CB 4.38Å; L394-V464 HydrophobicContact CB-CG2 4.28Å; L394-V464 HydrophobicContact CD2-CG2 4Å; L394-V464 HydrophobicContact CG-CG2 4.08Å; L394-V464 CarbonylContact O-C 3.57Å; L394-V464 VanDerWaalsContact O-CA 3.27Å; L394-V464 WeakPolarHBondContact O-CA 3.15Å; L394-F465 PolarHBondContact O-N 2.94Å; L394-A486 HydrophobicContact CD1-CB 3.89Å; L394-V488 HydrophobicContact CD1-CG2 3.79Å
395L95.2Very high92.3Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-92.8135.9174.8-57.5-176.1000110F397 Y450 F465 F479 A484 A486 V487 V488 R618L395-F397 HydrophobicContact CB-CD2 4.29Å; L395-F397 HydrophobicContact CB-CE2 3.83Å; L395-F397 HydrophobicContact CD1-CE2 4.05Å; L395-F397 HydrophobicContact CD1-CZ 4.41Å; L395-Y450 HydrophobicContact CD2-CE1 4.34Å; L395-F465 HydrophobicContact CD2-CB 3.68Å; L395-F465 HydrophobicContact CD2-CD1 4.36Å; L395-F465 HydrophobicContact CD2-CG 4.45Å; L395-F479 HydrophobicContact CD1-CB 4.39Å; L395-F479 HydrophobicContact CD1-CD1 4.29Å; L395-F479 HydrophobicContact CD1-CD2 4.01Å; L395-F479 HydrophobicContact CD1-CE2 4.44Å; L395-F479 HydrophobicContact CD1-CG 3.95Å; L395-F479 HydrophobicContact CD2-CD1 4.12Å; L395-F479 HydrophobicContact CD2-CE1 4.1Å; L395-A484 HydrophobicContact CD1-CB 3.7Å; L395-A484 HydrophobicContact CG-CB 3.98Å; L395-A486 PolarHBondContact N-O 2.82Å; L395-V487 HydrophobicContact CB-CG2 3.95Å; L395-V487 HydrophobicContact CD1-CG2 4.07Å; L395-V487 HydrophobicContact CG-CG2 4.47Å; L395-V487 CarbonylContact O-C 3.59Å; L395-V487 WeakPolarHBondContact O-CA 3.24Å; L395-V488 PolarHBondContact O-N 2.91Å; L395-R618 HydrophobicContact CD1-CB 4.09Å
396V96.3Very high92.1Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-133.5103.8-177.8-179.80000109.3V383 L394 F398 V464 F465 F466 C467 V488 I490V383-V396 HydrophobicContact CG2-CG1 4.48Å; L394-V396 HydrophobicContact CD1-CG2 4.47Å; L394-V396 HydrophobicContact CD2-CG2 4.32Å; L394-V396 HydrophobicContact CG-CG2 3.97Å; V396-F398 HydrophobicContact CG1-CE2 4.1Å; V396-F398 HydrophobicContact CG1-CZ 4.42Å; V396-V464 HydrophobicContact CG2-CG2 3.87Å; V396-F465 PolarHBondContact N-O 3.39Å; V396-F466 HydrophobicContact CB-CD1 3.77Å; V396-F466 HydrophobicContact CB-CE1 4.08Å; V396-F466 HydrophobicContact CG1-CD1 3.89Å; V396-F466 HydrophobicContact CG1-CE1 4.06Å; V396-F466 HydrophobicContact CG2-CD1 4.37Å; V396-F466 HydrophobicContact CG2-CE1 4.24Å; V396-C467 PolarHBondContact O-N 3.31Å; V396-V488 HydrophobicContact CB-CB 4.45Å; V396-V488 HydrophobicContact CG1-CB 4.3Å; V396-V488 HydrophobicContact CG2-CB 4.14Å; V396-V488 HydrophobicContact CG2-CG2 4.1Å; V396-I490 HydrophobicContact CG1-CD1 3.44Å; V396-I490 VanDerWaalsContact CG1-CD1 3.44Å; V396-I490 HydrophobicContact CG1-CG1 4.22Å
397F95.2Very high92.2Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-96.7125.9-172.9-75-89.8000112.4L395 C467 M469 V473 V487 V488 I489 I490 A615 R618L395-F397 HydrophobicContact CB-CD2 4.29Å; L395-F397 HydrophobicContact CB-CE2 3.83Å; L395-F397 HydrophobicContact CD1-CE2 4.05Å; L395-F397 HydrophobicContact CD1-CZ 4.41Å; F397-C467 WeakPolarHBondContact CA-O 3.36Å; F397-C467 HydrophobicContact CD1-CB 3.49Å; F397-C467 VanDerWaalsContact CD1-CB 3.49Å; F397-C467 HydrophobicContact CD2-CB 4.45Å; F397-C467 HydrophobicContact CE1-CB 3.57Å; F397-C467 HydrophobicContact CG-CB 3.97Å; F397-C467 HydrophobicContact CZ-CB 4.12Å; F397-M469 HydrophobicContact CB-CG 3.67Å; F397-M469 HydrophobicContact CD1-CG 4.29Å; F397-M469 HydrophobicContact CG-CG 4.35Å; F397-V473 HydrophobicContact CE1-CB 4.27Å; F397-V473 HydrophobicContact CE1-CG1 4.18Å; F397-V473 HydrophobicContact CZ-CG1 4Å; F397-V487 HydrophobicContact CD2-CG1 4.02Å; F397-V487 HydrophobicContact CE2-CG1 4.32Å; F397-V487 HydrophobicContact CE2-CG2 4.16Å; F397-V488 PolarHBondContact N-O 3.32Å; F397-I489 HydrophobicContact CB-CD1 4.17Å; F397-I489 HydrophobicContact CD2-CD1 4.43Å; F397-I490 WeakPolarHBondContact O-CB 3.4Å; F397-I490 PolarHBondContact O-N 3.35Å; F397-A615 HydrophobicContact CB-CB 4.47Å; F397-A615 HydrophobicContact CD1-CB 4.04Å; F397-A615 HydrophobicContact CD2-CB 3.97Å; F397-A615 HydrophobicContact CE1-CB 4.21Å; F397-A615 HydrophobicContact CE2-CB 4.11Å; F397-A615 HydrophobicContact CG-CB 3.92Å; F397-A615 HydrophobicContact CZ-CB 4.23Å; F397-R618 HydrophobicContact CZ-CG 4.4Å
398F94.4Very high92.1Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-99.7157.9173.9-68.3-90.6000111.5V396 S400 Q403 L404 C407 W411 F466 C467 V468 M469 I490V396-F398 HydrophobicContact CG1-CE2 4.1Å; V396-F398 HydrophobicContact CG1-CZ 4.42Å; F398-S400 VanDerWaalsContact C-N 3.28Å; F398-S400 PolarHBondContact O-N 2.79Å; F398-Q403 HydrophobicContact CD1-CG 4.32Å; F398-L404 HydrophobicContact CB-CB 4.05Å; F398-L404 HydrophobicContact CD2-CB 3.96Å; F398-L404 HydrophobicContact CD2-CD1 3.61Å; F398-L404 HydrophobicContact CD2-CG 4.33Å; F398-L404 HydrophobicContact CE2-CD1 3.56Å; F398-L404 HydrophobicContact CG-CB 3.99Å; F398-L404 HydrophobicContact CG-CD1 4.42Å; F398-L404 HydrophobicContact CZ-CD1 4.35Å; F398-C407 HydrophobicContact CE1-CB 3.74Å; F398-C407 HydrophobicContact CZ-CB 4.2Å; F398-W411 HydrophobicContact CE1-CH2 4.2Å; F398-W411 AromaticContact CZ-CH2 3.72Å; F398-W411 HydrophobicContact CZ-CH2 3.72Å; F398-W411 AromaticContact CZ-CZ3 3.99Å; F398-W411 HydrophobicContact CZ-CZ3 3.99Å; F398-F466 HydrophobicContact CE2-CB 4.14Å; F398-F466 AromaticContact CE2-CD1 3.74Å; F398-F466 HydrophobicContact CE2-CD1 3.74Å; F398-F466 HydrophobicContact CE2-CG 4.26Å; F398-F466 HydrophobicContact CZ-CD1 4.31Å; F398-C467 PolarHBondContact N-O 3.2Å; F398-V468 WeakPolarHBondContact O-CA 3.34Å; F398-M469 PolarHBondContact O-N 3.21Å; F398-I490 HydrophobicContact CD1-CB 4.32Å; F398-I490 HydrophobicContact CD1-CD1 4.08Å; F398-I490 HydrophobicContact CD1-CG2 4.11Å; F398-I490 HydrophobicContact CE1-CD1 3.6Å; F398-I490 HydrophobicContact CE1-CG2 4.3Å; F398-I490 HydrophobicContact CE2-CD1 4.31Å; F398-I490 HydrophobicContact CZ-CD1 3.75Å
399P91Very high92.1Very high35 Ų3527.3 Ų27.323%0.22715%0.152CC..SBendtrans-80.6-6.6-174.233.4-33.5000113.8Q403 M469 I490 P493P399-Q403 HydrophobicContact CG-CB 4.22Å; P399-Q403 HydrophobicContact CG-CG 4.26Å; P399-M469 HydrophobicContact CB-CE 4.12Å; P399-I490 WeakPolarHBondContact CD-O 3.39Å; P399-P493 HydrophobicContact CB-CB 4.22Å
400S90.6Very high92.2Very high43 Ų4326.6 Ų26.630%0.30115%0.147SC..SBendtrans-168157.5171.757.90000110.2F398 G402 Q403 L404F398-S400 VanDerWaalsContact C-N 3.28Å; F398-S400 PolarHBondContact O-N 2.79Å; S400-G402 PolarHBondContact O-N 3.46Å; S400-Q403 PolarHBondContact O-N 2.97Å; S400-Q403 VanDerWaalsContact O-N 3.11Å; S400-Q403 PolarHBondContact OG-N 2.92Å; S400-L404 PolarHBondContact O-N 3.45Å; S400-L404 VanDerWaalsContact O-N 3.13Å
401Y91.6Very high92.4Very high18 Ų1826.4 Ų26.47%0.07115%0.146CC..Hα-helixtrans-55.1-37.6171-69.2-84.6000112.4Q403 L404 D405 E436 R438 V468Y401-Q403 VanDerWaalsContact C-N 3.28Å; Y401-Q403 PolarHBondContact O-N 2.95Å; Y401-L404 HydrophobicContact CD1-CD2 4.42Å; Y401-L404 WeakPolarHBondContact O-CB 3.41Å; Y401-L404 PolarHBondContact O-N 3.25Å; Y401-L404 VanDerWaalsContact O-N 3.16Å; Y401-D405 WeakPolarHBondContact O-CB 3.49Å; Y401-D405 PolarHBondContact O-N 3.34Å; Y401-E436 HydrophobicContact CE1-CB 4.47Å; Y401-E436 HydrophobicContact CE1-CG 4.08Å; Y401-E436 PolarHBondContact OH-OE1 3.19Å; Y401-E436 VanDerWaalsContact OH-OE1 3.07Å; Y401-R438 VanDerWaalsContact CB-NH2 3.33Å; Y401-R438 HydrophobicContact CD1-CG 3.58Å; Y401-R438 HydrophobicContact CE1-CB 4.49Å; Y401-R438 HydrophobicContact CE1-CG 3.67Å; Y401-R438 HydrophobicContact CG-CG 4.04Å; Y401-V468 HydrophobicContact CD1-CG2 3.64Å; Y401-V468 HydrophobicContact CD2-CG1 4.16Å; Y401-V468 HydrophobicContact CD2-CG2 4.21Å; Y401-V468 HydrophobicContact CE1-CG2 3.95Å; Y401-V468 HydrophobicContact CE2-CB 4.47Å; Y401-V468 HydrophobicContact CE2-CG1 4.31Å; Y401-V468 HydrophobicContact CE2-CG2 4.47Å; Y401-V468 HydrophobicContact CG-CG1 4.5Å; Y401-V468 HydrophobicContact CG-CG2 3.79Å
402G92Very high92.5Very high44 Ų4431.1 Ų31.145%0.45416%0.163SC..Hα-helixtrans-63.3-31.3178.700000113.8S400 F406S400-G402 PolarHBondContact O-N 3.46Å; G402-F406 VanDerWaalsContact O-CB 3.3Å; G402-F406 WeakPolarHBondContact O-CB 3.25Å; G402-F406 PolarHBondContact O-N 3.21Å
403Q91.8Very high92.4Very high9 Ų931.8 Ų31.84%0.04218%0.179CC..Hα-helixtrans-77.8-36.9173.5-168.36344.100111.9F398 P399 S400 Y401 C407F398-Q403 HydrophobicContact CD1-CG 4.32Å; P399-Q403 HydrophobicContact CG-CB 4.22Å; P399-Q403 HydrophobicContact CG-CG 4.26Å; S400-Q403 PolarHBondContact O-N 2.97Å; S400-Q403 VanDerWaalsContact O-N 3.11Å; S400-Q403 PolarHBondContact OG-N 2.92Å; Y401-Q403 VanDerWaalsContact C-N 3.28Å; Y401-Q403 PolarHBondContact O-N 2.95Å; Q403-C407 PolarHBondContact NE2-SG 2.67Å; Q403-C407 VanDerWaalsContact NE2-SG 3.36Å; Q403-C407 VanDerWaalsContact O-CB 3.27Å; Q403-C407 WeakPolarHBondContact O-CB 3.4Å; Q403-C407 PolarHBondContact O-N 3.14Å; Q403-C407 PolarHBondContact O-SG 3.25Å
404L94.4Very high91.2Very high0 Ų033.4 Ų33.40%019%0.19CC..Hα-helixtrans-60.1-51.3173.616560.9000111.4F398 S400 Y401 C407 T408 V435 F466 V468F398-L404 HydrophobicContact CB-CB 4.05Å; F398-L404 HydrophobicContact CD2-CB 3.96Å; F398-L404 HydrophobicContact CD2-CD1 3.61Å; F398-L404 HydrophobicContact CD2-CG 4.33Å; F398-L404 HydrophobicContact CE2-CD1 3.56Å; F398-L404 HydrophobicContact CG-CB 3.99Å; F398-L404 HydrophobicContact CG-CD1 4.42Å; F398-L404 HydrophobicContact CZ-CD1 4.35Å; S400-L404 PolarHBondContact O-N 3.45Å; S400-L404 VanDerWaalsContact O-N 3.13Å; Y401-L404 HydrophobicContact CD1-CD2 4.42Å; Y401-L404 WeakPolarHBondContact O-CB 3.41Å; Y401-L404 PolarHBondContact O-N 3.25Å; Y401-L404 VanDerWaalsContact O-N 3.16Å; L404-C407 PolarHBondContact O-N 3.42Å; L404-T408 HydrophobicContact CD1-CG2 3.78Å; L404-T408 VanDerWaalsContact O-CG2 3.3Å; L404-T408 WeakPolarHBondContact O-CG2 3.44Å; L404-T408 PolarHBondContact O-N 2.61Å; L404-T408 PolarHBondContact O-OG1 3.07Å; L404-T408 VanDerWaalsContact O-OG1 3.1Å; L404-V435 HydrophobicContact CD1-CG1 4.29Å; L404-V435 HydrophobicContact CD2-CG1 4.03Å; L404-V435 HydrophobicContact CG-CG1 4.37Å; L404-F466 HydrophobicContact CD1-CB 3.6Å; L404-F466 HydrophobicContact CD1-CG 4.45Å; L404-V468 HydrophobicContact CB-CG2 4.39Å; L404-V468 HydrophobicContact CD2-CG2 3.68Å
405D93.2Very high89.7Confident56 Ų5639.4 Ų39.430%0.29922%0.221SC..Hα-helixtrans-57-55.2178.6-65.8-29.5000109.8Y401 C407 T408 E409 R438Y401-D405 WeakPolarHBondContact O-CB 3.49Å; Y401-D405 PolarHBondContact O-N 3.34Å; D405-C407 PolarHBondContact O-N 3.06Å; D405-T408 PolarHBondContact O-N 3.15Å; D405-T408 PolarHBondContact O-OG1 3.41Å; D405-T408 VanDerWaalsContact O-OG1 3.13Å; D405-E409 WeakPolarHBondContact O-CB 3.43Å; D405-E409 WeakPolarHBondContact O-CG 3.38Å; D405-E409 PolarHBondContact O-N 3.4Å; D405-R438 IonicContact OD2-CZ 2.62Å; D405-R438 IonicContact OD2-NE 2.75Å; D405-R438 IonicContact OD2-NH2 2.61Å; D405-R438 PolarHBondContact OD2-NH2 2.99Å
406F91.8Very high88Confident86 Ų8642.5 Ų42.538%0.37724%0.24SC..Hα-helixtrans-61.1-39.7-178.7-175.7-104.7000114L376 G402 H410L376-F406 HydrophobicContact CD1-CD1 4.32Å; L376-F406 HydrophobicContact CD1-CE1 3.56Å; L376-F406 HydrophobicContact CD1-CZ 4.06Å; L376-F406 HydrophobicContact CD2-CD1 4.04Å; L376-F406 HydrophobicContact CD2-CE1 3.93Å; L376-F406 HydrophobicContact CG-CE1 4.3Å; G402-F406 VanDerWaalsContact O-CB 3.3Å; G402-F406 WeakPolarHBondContact O-CB 3.25Å; G402-F406 PolarHBondContact O-N 3.21Å; F406-H410 WeakPolarHBondContact O-CB 3.37Å; F406-H410 PolarHBondContact O-N 3.47Å; F406-H410 VanDerWaalsContact O-N 3.14Å
407C94.5Very high86.1Confident0 Ų053.8 Ų53.80%028%0.283CS..Hα-helixtrans-65.9-46.8173.7-77.30000111.9F398 Q403 L404 D405 H410 W411F398-C407 HydrophobicContact CE1-CB 3.74Å; F398-C407 HydrophobicContact CZ-CB 4.2Å; Q403-C407 PolarHBondContact NE2-SG 2.67Å; Q403-C407 VanDerWaalsContact NE2-SG 3.36Å; Q403-C407 VanDerWaalsContact O-CB 3.27Å; Q403-C407 WeakPolarHBondContact O-CB 3.4Å; Q403-C407 PolarHBondContact O-N 3.14Å; Q403-C407 PolarHBondContact O-SG 3.25Å; L404-C407 PolarHBondContact O-N 3.42Å; D405-C407 PolarHBondContact O-N 3.06Å; C407-H410 PolarHBondContact O-N 3.5Å; C407-W411 HydrophobicContact CB-CH2 4.37Å; C407-W411 HydrophobicContact CB-CZ2 4.15Å; C407-W411 PolarHBondContact O-N 2.94Å
408T92.7Very high84.2Confident5 Ų562.7 Ų62.73%0.03132%0.324CS..Hα-helixtrans-71-34.6-17763.50000112.6L404 D405 W411 K412 M424 F466L404-T408 HydrophobicContact CD1-CG2 3.78Å; L404-T408 VanDerWaalsContact O-CG2 3.3Å; L404-T408 WeakPolarHBondContact O-CG2 3.44Å; L404-T408 PolarHBondContact O-N 2.61Å; L404-T408 PolarHBondContact O-OG1 3.07Å; L404-T408 VanDerWaalsContact O-OG1 3.1Å; D405-T408 PolarHBondContact O-N 3.15Å; D405-T408 PolarHBondContact O-OG1 3.41Å; D405-T408 VanDerWaalsContact O-OG1 3.13Å; T408-W411 PolarHBondContact O-N 2.98Å; T408-K412 WeakPolarHBondContact O-CB 3.48Å; T408-K412 WeakPolarHBondContact O-CD 3.28Å; T408-K412 WeakPolarHBondContact O-CG 3.47Å; T408-K412 PolarHBondContact O-N 2.78Å; T408-M424 HydrophobicContact CG2-CE 3.83Å; T408-F466 HydrophobicContact CG2-CD2 4.45Å
409E91.7Very high82.3Confident124 Ų12465.2 Ų65.258%0.57934%0.341SS*.Hα-helixtrans-58.7-49.8168.6-75.9-176.1164.100111.3D405 W411 K412 A413D405-E409 WeakPolarHBondContact O-CB 3.43Å; D405-E409 WeakPolarHBondContact O-CG 3.38Å; D405-E409 PolarHBondContact O-N 3.4Å; E409-W411 VanDerWaalsContact C-N 3.31Å; E409-W411 PolarHBondContact O-N 3.19Å; E409-K412 PolarHBondContact O-N 3.15Å; E409-A413 WeakPolarHBondContact O-CB 3.28Å; E409-A413 PolarHBondContact O-N 3.41Å
410H91.5Very high80.6Confident43 Ų4371.1 Ų71.120%0.19937%0.371CS..Hα-helixtrans-60-41.2177.9-168.979.7000112L376 F406 C407 K412 A413 S414L376-H410 HydrophobicContact CD1-CB 4.17Å; F406-H410 WeakPolarHBondContact O-CB 3.37Å; F406-H410 PolarHBondContact O-N 3.47Å; F406-H410 VanDerWaalsContact O-N 3.14Å; C407-H410 PolarHBondContact O-N 3.5Å; H410-K412 VanDerWaalsContact C-N 3.35Å; H410-K412 PolarHBondContact O-N 2.85Å; H410-A413 PolarHBondContact O-N 3.45Å; H410-S414 WeakPolarHBondContact O-CB 3.24Å; H410-S414 PolarHBondContact O-N 3.39Å
411W94.1Very high79.4Confident0 Ų070.1 Ų70.10%036%0.364CS..Hα-helixtrans-71.6-25.7179.2-62.4-14.5000114L376 L379 G380 V383 F398 C407 T408 E409 I423 M424 I427 F466L376-W411 PolarHBondContact O-NE1 3.41Å; L379-W411 HydrophobicContact CD2-CZ2 4.07Å; L379-W411 HydrophobicContact CG-CZ2 4.04Å; G380-W411 VanDerWaalsContact CA-CE2 3.41Å; G380-W411 VanDerWaalsContact CA-CZ2 3.49Å; V383-W411 HydrophobicContact CG2-CH2 4.03Å; F398-W411 HydrophobicContact CE1-CH2 4.2Å; F398-W411 AromaticContact CZ-CH2 3.72Å; F398-W411 HydrophobicContact CZ-CH2 3.72Å; F398-W411 AromaticContact CZ-CZ3 3.99Å; F398-W411 HydrophobicContact CZ-CZ3 3.99Å; C407-W411 HydrophobicContact CB-CH2 4.37Å; C407-W411 HydrophobicContact CB-CZ2 4.15Å; C407-W411 PolarHBondContact O-N 2.94Å; T408-W411 PolarHBondContact O-N 2.98Å; E409-W411 VanDerWaalsContact C-N 3.31Å; E409-W411 PolarHBondContact O-N 3.19Å; W411-I423 HydrophobicContact CB-CB 3.88Å; W411-I423 HydrophobicContact CB-CG2 3.94Å; W411-I423 HydrophobicContact CD2-CG2 4.18Å; W411-I423 HydrophobicContact CG-CB 4.07Å; W411-I423 HydrophobicContact CG-CG2 3.74Å; W411-I423 PolarHBondContact O-N 3.5Å; W411-M424 HydrophobicContact CB-CB 4.28Å; W411-M424 HydrophobicContact CB-CE 4.29Å; W411-M424 HydrophobicContact CE3-CE 4.07Å; W411-M424 PolarHBondContact O-N 2.89Å; W411-I427 HydrophobicContact CE3-CD1 4.31Å; W411-F466 HydrophobicContact CE3-CZ 4.49Å; W411-F466 AromaticContact CZ3-CE1 3.9Å; W411-F466 HydrophobicContact CZ3-CE1 3.9Å; W411-F466 AromaticContact CZ3-CZ 3.99Å; W411-F466 HydrophobicContact CZ3-CZ 3.99Å
412K90.2Very high79.1Confident129 Ų12969.6 Ų69.656%0.56136%0.364SS*.Hα-helixtrans-76.5-44.3170.6-71.9162.8-176.9167.30111.7T408 E409 H410 M424T408-K412 WeakPolarHBondContact O-CB 3.48Å; T408-K412 WeakPolarHBondContact O-CD 3.28Å; T408-K412 WeakPolarHBondContact O-CG 3.47Å; T408-K412 PolarHBondContact O-N 2.78Å; E409-K412 PolarHBondContact O-N 3.15Å; H410-K412 VanDerWaalsContact C-N 3.35Å; H410-K412 PolarHBondContact O-N 2.85Å; K412-M424 HydrophobicContact CG-CB 3.98Å; K412-M424 HydrophobicContact CG-CG 4.08Å
413A83.8Confident79.1Confident76 Ų7667.6 Ų67.663%0.62834%0.343SS*.Hα-helixtrans-79.1-22.4-175.200000114.6E409 H410 I415E409-A413 WeakPolarHBondContact O-CB 3.28Å; E409-A413 PolarHBondContact O-N 3.41Å; H410-A413 PolarHBondContact O-N 3.45Å; A413-I415 PolarHBondContact O-N 2.78Å
414S65.9Low79.2Confident33 Ų3367.4 Ų67.423%0.23134%0.342CS..  trans-71.288.2-177-173.50000112.5H410 V416 G422H410-S414 WeakPolarHBondContact O-CB 3.24Å; H410-S414 PolarHBondContact O-N 3.39Å; S414-V416 PolarHBondContact O-N 3.38Å; S414-G422 WeakPolarHBondContact O-CA 3.33Å
415I62.9Low79.1Confident127 Ų12773.1 Ų73.165%0.65137%0.367SS*.  trans-78.9111.2167.1-58.3176000108.4A413 R417A413-I415 PolarHBondContact O-N 2.78Å; I415-R417 PolarHBondContact O-N 2.85Å
416V58.8Low79Confident64 Ų6473.1 Ų73.139%0.38836%0.363SS..BIsolated β-bridgetrans-70.3124.9171.6179.60000108S414 H418 S419S414-V416 PolarHBondContact O-N 3.38Å; V416-H418 PolarHBondContact O-N 3.39Å; V416-S419 PolarHBondContact O-N 3.14Å; V416-S419 VanDerWaalsContact O-O 3.09Å
417R55.5Low79.2Confident238 Ų23869 Ų6990%0.89835%0.345SS*.THydrogen-bonded Turntrans-55.5-14.7-169.6-71.5-178.8174169.7-3.4116.1I415I415-R417 PolarHBondContact O-N 2.85Å
418H54.9Low79.1Confident186 Ų18674 Ų7486%0.86137%0.368SS*.THydrogen-bonded Turntrans-126.213.2179.3-57.6-25.7000113.7V416V416-H418 PolarHBondContact O-N 3.39Å
419S54.5Low79.1Confident53 Ų5381 Ų8137%0.37140%0.398SS..BIsolated β-bridgetrans-149.5127.6169.561.10000112.9V416 S421V416-S419 PolarHBondContact O-N 3.14Å; V416-S419 VanDerWaalsContact O-O 3.09Å; S419-S421 PolarHBondContact O-N 3Å
420N55.4Low79.1Confident159 Ų15977.7 Ų77.785%0.8538%0.384SS*.SBendtrans-71.720.6-174.3-103.4-4.4000115.1
421S67.3Low79.1Confident22 Ų2275.8 Ų75.815%0.15438%0.375CS..  trans-129.8106.9176.958.30000110.4S419S419-S421 PolarHBondContact O-N 3Å
422G83.8Confident79.1Confident7 Ų779.1 Ų79.17%0.07239%0.393CS..  trans-63.5174.2167.800000112.7S414 M424 K425 R426S414-G422 WeakPolarHBondContact O-CA 3.33Å; G422-M424 VanDerWaalsContact C-N 3.33Å; G422-M424 PolarHBondContact O-N 3.07Å; G422-K425 PolarHBondContact O-N 2.86Å; G422-K425 VanDerWaalsContact O-N 3.13Å; G422-R426 PolarHBondContact O-N 2.85Å; G422-R426 VanDerWaalsContact O-N 3.14Å
423I92.5Very high79.3Confident3 Ų375.1 Ų75.12%0.01538%0.38CS..Hα-helixtrans-57.2-45.8-173.5-65.4174.2000110.9V384 W411 K425 R426 I427V384-I423 HydrophobicContact CG2-CG2 4.05Å; W411-I423 HydrophobicContact CB-CB 3.88Å; W411-I423 HydrophobicContact CB-CG2 3.94Å; W411-I423 HydrophobicContact CD2-CG2 4.18Å; W411-I423 HydrophobicContact CG-CB 4.07Å; W411-I423 HydrophobicContact CG-CG2 3.74Å; W411-I423 PolarHBondContact O-N 3.5Å; I423-K425 PolarHBondContact O-N 2.91Å; I423-R426 WeakPolarHBondContact O-CB 3.19Å; I423-R426 PolarHBondContact O-N 2.84Å; I423-I427 HydrophobicContact CG2-CD1 4.25Å; I423-I427 WeakPolarHBondContact O-CG1 3.23Å; I423-I427 PolarHBondContact O-N 3.3Å; I423-I427 VanDerWaalsContact O-N 3.16Å
424M93.6Very high79.9Confident4 Ų473 Ų732%0.0236%0.356CS..Hα-helixtrans-61.3-44.1178.6-166.261.874.200111.7T408 W411 K412 G422 R426 I427 E428 V433 F466T408-M424 HydrophobicContact CG2-CE 3.83Å; W411-M424 HydrophobicContact CB-CB 4.28Å; W411-M424 HydrophobicContact CB-CE 4.29Å; W411-M424 HydrophobicContact CE3-CE 4.07Å; W411-M424 PolarHBondContact O-N 2.89Å; K412-M424 HydrophobicContact CG-CB 3.98Å; K412-M424 HydrophobicContact CG-CG 4.08Å; G422-M424 VanDerWaalsContact C-N 3.33Å; G422-M424 PolarHBondContact O-N 3.07Å; M424-R426 PolarHBondContact O-N 3.39Å; M424-I427 WeakPolarHBondContact O-CA 3.47Å; M424-I427 WeakPolarHBondContact O-CB 3.42Å; M424-I427 PolarHBondContact O-N 3.13Å; M424-I427 HydrophobicContact SD-CD1 4.46Å; M424-E428 HydrophobicContact CG-CG 4.23Å; M424-E428 VanDerWaalsContact CG-OE1 3.32Å; M424-E428 WeakPolarHBondContact CG-OE1 3.47Å; M424-E428 WeakPolarHBondContact O-CG 3.45Å; M424-E428 PolarHBondContact O-N 3.42Å; M424-V433 HydrophobicContact SD-CG1 4.16Å; M424-V433 HydrophobicContact SD-CG2 4.28Å; M424-F466 HydrophobicContact CE-CE2 4Å; M424-F466 HydrophobicContact SD-CE2 4.01Å
425K91.9Very high81.3Confident121 Ų12173.9 Ų73.953%0.52636%0.36SS..Hα-helixtrans-63.7-12.2174.4-66.1-171.4178-175.80114.8G422 I423 E428 K429G422-K425 PolarHBondContact O-N 2.86Å; G422-K425 VanDerWaalsContact O-N 3.13Å; I423-K425 PolarHBondContact O-N 2.91Å; K425-E428 WeakPolarHBondContact CA-OE2 3.46Å; K425-K429 WeakPolarHBondContact O-CD 3.32Å; K425-K429 VanDerWaalsContact O-CG 3.28Å; K425-K429 WeakPolarHBondContact O-CG 3.47Å
426R92.6Very high82.7Confident56 Ų5668.1 Ų68.121%0.21133%0.331CS..Hα-helixtrans-91.6-26.9170.8-70.8165.852.3-154.4-7.3112N381 V384 G422 I423 M424 L430N381-R426 VanDerWaalsContact OD1-CZ 3.26Å; N381-R426 PolarHBondContact OD1-NH1 2.84Å; N381-R426 PolarHBondContact OD1-NH2 3.1Å; V384-R426 HydrophobicContact CG1-CB 4.24Å; V384-R426 HydrophobicContact CG2-CB 3.99Å; G422-R426 PolarHBondContact O-N 2.85Å; G422-R426 VanDerWaalsContact O-N 3.14Å; I423-R426 WeakPolarHBondContact O-CB 3.19Å; I423-R426 PolarHBondContact O-N 2.84Å; M424-R426 PolarHBondContact O-N 3.39Å; R426-L430 WeakPolarHBondContact O-CD1 3.28Å; R426-L430 WeakPolarHBondContact O-CG 3.38Å
427I94.3Very high84.2Confident0 Ų065.9 Ų65.90%032%0.317CS..Hα-helixtrans-76-48.3172.7-59.5174.7000109.7V383 V384 W411 I423 M424 K429 L430 K431 V433 V464 F466V383-I427 HydrophobicContact CB-CD1 4.44Å; V383-I427 HydrophobicContact CG1-CD1 3.79Å; V384-I427 HydrophobicContact CG2-CD1 4.16Å; V384-I427 HydrophobicContact CG2-CG1 3.47Å; V384-I427 VanDerWaalsContact CG2-CG1 3.47Å; W411-I427 HydrophobicContact CE3-CD1 4.31Å; I423-I427 HydrophobicContact CG2-CD1 4.25Å; I423-I427 WeakPolarHBondContact O-CG1 3.23Å; I423-I427 PolarHBondContact O-N 3.3Å; I423-I427 VanDerWaalsContact O-N 3.16Å; M424-I427 WeakPolarHBondContact O-CA 3.47Å; M424-I427 WeakPolarHBondContact O-CB 3.42Å; M424-I427 PolarHBondContact O-N 3.13Å; M424-I427 HydrophobicContact SD-CD1 4.46Å; I427-K429 PolarHBondContact O-N 2.7Å; I427-L430 WeakPolarHBondContact O-CA 3.45Å; I427-L430 PolarHBondContact O-N 2.83Å; I427-K431 PolarHBondContact O-N 3.07Å; I427-V433 HydrophobicContact CB-CG2 4.49Å; I427-V433 HydrophobicContact CG2-CG2 3.78Å; I427-V464 HydrophobicContact CG2-CG1 3.71Å; I427-F466 HydrophobicContact CD1-CZ 4Å; I427-F466 HydrophobicContact CG2-CZ 4.34Å
428E93.2Very high85.6Confident103 Ų10360.4 Ų60.448%0.48130%0.296SS..THydrogen-bonded Turntrans-56.3-24.2176.7-68.2163.8173.800113.6M424 K425 V433M424-E428 HydrophobicContact CG-CG 4.23Å; M424-E428 VanDerWaalsContact CG-OE1 3.32Å; M424-E428 WeakPolarHBondContact CG-OE1 3.47Å; M424-E428 WeakPolarHBondContact O-CG 3.45Å; M424-E428 PolarHBondContact O-N 3.42Å; K425-E428 WeakPolarHBondContact CA-OE2 3.46Å; E428-V433 HydrophobicContact CG-CG2 3.89Å
429K91.8Very high87Confident152 Ų15258.7 Ų58.766%0.66128%0.282SS*.THydrogen-bonded Turntrans-82.6-11174.8-78.4179.7179.2-171.40114.6K425 I427K425-K429 WeakPolarHBondContact O-CD 3.32Å; K425-K429 VanDerWaalsContact O-CG 3.28Å; K425-K429 WeakPolarHBondContact O-CG 3.47Å; I427-K429 PolarHBondContact O-N 2.7Å
430L92.1Very high88.2Confident55 Ų5563.2 Ų63.229%0.28830%0.296SS..THydrogen-bonded Turntrans-115.8-34.8-175.4-65.9170.3000112V384 C387 R388 R426 I427V384-L430 HydrophobicContact CG1-CD1 4.09Å; C387-L430 HydrophobicContact CB-CB 4.13Å; C387-L430 HydrophobicContact CB-CD1 3.99Å; R388-L430 HydrophobicContact CG-CD1 3.63Å; R388-L430 HydrophobicContact CG-CD2 4.01Å; R388-L430 HydrophobicContact CG-CG 4.49Å; R426-L430 WeakPolarHBondContact O-CD1 3.28Å; R426-L430 WeakPolarHBondContact O-CG 3.38Å; I427-L430 WeakPolarHBondContact O-CA 3.45Å; I427-L430 PolarHBondContact O-N 2.83Å
431K92.8Very high89.5Confident4 Ų459.7 Ų59.72%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-147.1146.8-179.5-69.4-176.8176.9-68.70111.3C387 V390 Q392 L394 I427 V433 G462 V464C387-K431 HydrophobicContact CB-CD 4.12Å; C387-K431 HydrophobicContact CB-CG 4.43Å; V390-K431 WeakPolarHBondContact O-CE 3.33Å; V390-K431 PolarHBondContact O-NZ 2.83Å; Q392-K431 PolarHBondContact O-NZ 3.43Å; L394-K431 HydrophobicContact CB-CD 4.12Å; L394-K431 HydrophobicContact CD2-CD 4.28Å; I427-K431 PolarHBondContact O-N 3.07Å; K431-V433 PolarHBondContact O-N 2.64Å; K431-G462 CarbonylContact C-O 3.6Å; K431-G462 WeakPolarHBondContact CA-O 3.44Å; K431-G462 WeakPolarHBondContact CB-O 3.21Å; K431-V464 HydrophobicContact CB-CB 4.12Å; K431-V464 HydrophobicContact CB-CG1 3.88Å; K431-V464 HydrophobicContact CD-CB 3.92Å
432N93.6Very high90.4Very high70 Ų7063 Ų6337%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-64.1125.7167.6-72.756.5000109.4F434 L453 V461 G462 A463 V464N432-F434 HydrophobicContact CB-CE2 3.96Å; N432-L453 HydrophobicContact CB-CD1 3.87Å; N432-L453 WeakPolarHBondContact ND2-CD1 3.39Å; N432-V461 VanDerWaalsContact OD1-CG1 3.29Å; N432-V461 WeakPolarHBondContact OD1-CG1 3.38Å; N432-G462 PolarHBondContact N-O 2.82Å; N432-A463 CarbonylContact O-C 3.56Å; N432-A463 WeakPolarHBondContact O-CA 3.25Å; N432-V464 PolarHBondContact O-N 3.2Å
433V95Very high90.6Very high45 Ų4563.2 Ų63.227%0.27329%0.289SS..EExtended strand (participates in β ladder)trans-94.3125.2-173.8177.30000111.4M424 I427 E428 K431 V435 V464 F466M424-V433 HydrophobicContact SD-CG1 4.16Å; M424-V433 HydrophobicContact SD-CG2 4.28Å; I427-V433 HydrophobicContact CB-CG2 4.49Å; I427-V433 HydrophobicContact CG2-CG2 3.78Å; E428-V433 HydrophobicContact CG-CG2 3.89Å; K431-V433 PolarHBondContact O-N 2.64Å; V433-V435 HydrophobicContact CG1-CG2 4.39Å; V433-V464 HydrophobicContact CB-CG1 4.38Å; V433-V464 HydrophobicContact CG2-CG1 3.85Å; V433-F466 HydrophobicContact CG1-CD2 3.74Å; V433-F466 HydrophobicContact CG1-CE2 3.59Å
434F95.2Very high90.3Very high30 Ų3065.4 Ų65.413%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-117.3149.2171-65.7-96.7000110N432 V446 A449 Y450 L453 A463 V464 F465 F466N432-F434 HydrophobicContact CB-CE2 3.96Å; F434-V446 HydrophobicContact CD1-CG1 4.12Å; F434-A449 HydrophobicContact CE1-CB 3.82Å; F434-A449 HydrophobicContact CZ-CB 4.41Å; F434-Y450 HydrophobicContact CB-CD2 4.25Å; F434-Y450 AromaticContact CD2-CD2 3.64Å; F434-Y450 HydrophobicContact CD2-CD2 3.64Å; F434-Y450 HydrophobicContact CD2-CG 4.47Å; F434-Y450 HydrophobicContact CE2-CD2 4.12Å; F434-Y450 AromaticContact CG-CD2 3.95Å; F434-Y450 HydrophobicContact CG-CD2 3.95Å; F434-L453 HydrophobicContact CE2-CD1 3.95Å; F434-L453 HydrophobicContact CZ-CD1 3.79Å; F434-A463 HydrophobicContact CD2-CB 4.22Å; F434-A463 HydrophobicContact CE2-CB 4.05Å; F434-V464 PolarHBondContact N-O 3.01Å; F434-F465 HydrophobicContact CB-CD2 3.77Å; F434-F465 HydrophobicContact CB-CE2 4.07Å; F434-F465 HydrophobicContact CB-CG 4.03Å; F434-F466 PolarHBondContact O-N 3.19Å
435V94.8Very high90.1Very high53 Ų5370.7 Ų70.732%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-135.4133.6-179.7-177.90000108.2L404 V433 P437 F466L404-V435 HydrophobicContact CD1-CG1 4.29Å; L404-V435 HydrophobicContact CD2-CG1 4.03Å; L404-V435 HydrophobicContact CG-CG1 4.37Å; V433-V435 HydrophobicContact CG1-CG2 4.39Å; V435-P437 VanDerWaalsContact O-CD 3.29Å; V435-P437 WeakPolarHBondContact O-CD 3.49Å; V435-F466 WeakPolarHBondContact CA-O 3.42Å; V435-F466 HydrophobicContact CG2-CB 4.41Å; V435-F466 HydrophobicContact CG2-CD2 4.2Å
436E92.6Very high90.1Very high6 Ų666.8 Ų66.83%0.02832%0.322CS..  trans-64.1116.7-178-177.8174166.700112.1Y401 F443 F465 F466 V468 G471 K472 V473Y401-E436 HydrophobicContact CE1-CB 4.47Å; Y401-E436 HydrophobicContact CE1-CG 4.08Å; Y401-E436 PolarHBondContact OH-OE1 3.19Å; Y401-E436 VanDerWaalsContact OH-OE1 3.07Å; E436-F443 HydrophobicContact CG-CD2 4.43Å; E436-F443 HydrophobicContact CG-CE2 4.14Å; E436-F465 HydrophobicContact CB-CE2 4.36Å; E436-F466 PolarHBondContact N-O 3.05Å; E436-V468 PolarHBondContact OE2-N 2.85Å; E436-G471 WeakPolarHBondContact OE1-CA 3.34Å; E436-K472 WeakPolarHBondContact OE1-CA 3.24Å; E436-K472 WeakPolarHBondContact OE1-CB 3.46Å; E436-K472 PolarHBondContact OE1-N 3.49Å; E436-V473 HydrophobicContact CB-CG2 4.24Å; E436-V473 HydrophobicContact CG-CG2 3.95Å; E436-V473 PolarHBondContact OE1-N 2.96Å; E436-V473 WeakPolarHBondContact OE2-CG2 3.39Å
437P89.9Confident89.9Confident16 Ų1664.4 Ų64.410%0.10431%0.313CS..  trans-77.5135.9179.830.6-34.5000111.3V435 R439 Q442 F443 V446 K472V435-P437 VanDerWaalsContact O-CD 3.29Å; V435-P437 WeakPolarHBondContact O-CD 3.49Å; P437-R439 VanDerWaalsContact C-N 3.35Å; P437-R439 PolarHBondContact O-N 3.33Å; P437-Q442 HydrophobicContact CB-CB 3.97Å; P437-Q442 HydrophobicContact CG-CB 4.2Å; P437-F443 HydrophobicContact CG-CB 4.05Å; P437-F443 HydrophobicContact CG-CD2 4.07Å; P437-V446 HydrophobicContact CG-CB 4.32Å; P437-V446 HydrophobicContact CG-CG2 4.13Å; P437-K472 PolarHBondContact O-NZ 2.78Å
438R86Confident89.7Confident123 Ų12369 Ų6946%0.46434%0.338SS..SBendtrans-64.5-31.2178.2-69.8169.9174.3-10015.8113.7Y401 D405 K472Y401-R438 VanDerWaalsContact CB-NH2 3.33Å; Y401-R438 HydrophobicContact CD1-CG 3.58Å; Y401-R438 HydrophobicContact CE1-CB 4.49Å; Y401-R438 HydrophobicContact CE1-CG 3.67Å; Y401-R438 HydrophobicContact CG-CG 4.04Å; D405-R438 IonicContact OD2-CZ 2.62Å; D405-R438 IonicContact OD2-NE 2.75Å; D405-R438 IonicContact OD2-NH2 2.61Å; D405-R438 PolarHBondContact OD2-NH2 2.99Å; R438-K472 PolarHBondContact O-NZ 2.58Å
439R83.2Confident89.6Confident150 Ų15066.2 Ų66.257%0.56633%0.332SS*.SBendtrans-81.7155.6177.5-58.3166.454.5127.2-8.8112.5P437 D441 K472P437-R439 VanDerWaalsContact C-N 3.35Å; P437-R439 PolarHBondContact O-N 3.33Å; R439-D441 WeakPolarHBondContact CB-OD1 3.45Å; R439-D441 IonicContact CZ-OD1 3.63Å; R439-D441 IonicContact CZ-OD2 2.64Å; R439-D441 IonicContact NE-OD1 3.14Å; R439-D441 PolarHBondContact NE-OD1 2.88Å; R439-D441 IonicContact NE-OD2 2.71Å; R439-D441 PolarHBondContact NE-OD2 2.82Å; R439-D441 IonicContact NH2-OD1 3.56Å; R439-D441 IonicContact NH2-OD2 3.95Å; R439-D441 PolarHBondContact NH2-OD2 3.22Å; R439-K472 VanDerWaalsContact C-NZ 3.29Å; R439-K472 PolarHBondContact O-NZ 2.83Å
440K80.2Confident89.6Confident149 Ų14959 Ų5965%0.64830%0.3SS*.SBendtrans-79.8-33.5-179.4-72.8-179.8-179.8173.40113.1F443K440-F443 PolarHBondContact O-N 3.4Å
441D84Confident89.3Confident85 Ų8558.3 Ų58.346%0.45530%0.295SS..Hα-helixtrans-63-50-179.758.2-27.4000112.3R439 F443R439-D441 WeakPolarHBondContact CB-OD1 3.45Å; R439-D441 IonicContact CZ-OD1 3.63Å; R439-D441 IonicContact CZ-OD2 2.64Å; R439-D441 IonicContact NE-OD1 3.14Å; R439-D441 PolarHBondContact NE-OD1 2.88Å; R439-D441 IonicContact NE-OD2 2.71Å; R439-D441 PolarHBondContact NE-OD2 2.82Å; R439-D441 IonicContact NH2-OD1 3.56Å; R439-D441 IonicContact NH2-OD2 3.95Å; R439-D441 PolarHBondContact NH2-OD2 3.22Å; D441-F443 PolarHBondContact O-N 3.1Å
442Q85.6Confident89Confident92 Ų9263.7 Ų63.743%0.4332%0.319SS..Hα-helixtrans-69.4-14.9-179.5-65.5171-10.100113.9P437 V446P437-Q442 HydrophobicContact CB-CB 3.97Å; P437-Q442 HydrophobicContact CG-CB 4.2Å; Q442-V446 WeakPolarHBondContact O-CG2 3.45Å; Q442-V446 PolarHBondContact O-N 2.95Å
443F86.9Confident88.6Confident11 Ų1163.1 Ų63.15%0.04832%0.315CS..Hα-helixtrans-71.5-41.6-171.1-177.2-89.9000113.1E436 P437 K440 D441 D445 V446 L447 K472 V473 F477E436-F443 HydrophobicContact CG-CD2 4.43Å; E436-F443 HydrophobicContact CG-CE2 4.14Å; P437-F443 HydrophobicContact CG-CB 4.05Å; P437-F443 HydrophobicContact CG-CD2 4.07Å; K440-F443 PolarHBondContact O-N 3.4Å; D441-F443 PolarHBondContact O-N 3.1Å; F443-D445 PolarHBondContact O-N 3.01Å; F443-V446 PolarHBondContact O-N 2.75Å; F443-L447 HydrophobicContact CE1-CB 4.19Å; F443-L447 HydrophobicContact CE1-CD2 3.81Å; F443-L447 HydrophobicContact CZ-CD2 4.29Å; F443-L447 WeakPolarHBondContact O-CB 3.31Å; F443-L447 PolarHBondContact O-N 3.04Å; F443-K472 HydrophobicContact CB-CD 4.12Å; F443-K472 HydrophobicContact CD1-CD 4.42Å; F443-K472 HydrophobicContact CD2-CB 3.85Å; F443-K472 HydrophobicContact CD2-CD 3.45Å; F443-K472 VanDerWaalsContact CD2-CD 3.45Å; F443-K472 HydrophobicContact CD2-CG 4.32Å; F443-K472 HydrophobicContact CE1-CB 4.24Å; F443-K472 HydrophobicContact CE2-CB 3.42Å; F443-K472 VanDerWaalsContact CE2-CB 3.42Å; F443-K472 HydrophobicContact CE2-CD 3.96Å; F443-K472 HydrophobicContact CE2-CG 4.37Å; F443-K472 HydrophobicContact CG-CB 4.41Å; F443-K472 HydrophobicContact CG-CD 3.71Å; F443-K472 HydrophobicContact CZ-CB 3.65Å; F443-V473 HydrophobicContact CE2-CG2 3.68Å; F443-V473 HydrophobicContact CZ-CG2 3.91Å; F443-F477 HydrophobicContact CD1-CE2 4.21Å; F443-F477 HydrophobicContact CD1-CZ 4.39Å; F443-F477 AromaticContact CE1-CD2 3.81Å; F443-F477 HydrophobicContact CE1-CD2 3.81Å; F443-F477 AromaticContact CE1-CE2 3.34Å; F443-F477 HydrophobicContact CE1-CE2 3.34Å; F443-F477 AromaticContact CE1-CZ 3.79Å; F443-F477 HydrophobicContact CE1-CZ 3.79Å; F443-F477 HydrophobicContact CZ-CD2 4.11Å; F443-F477 HydrophobicContact CZ-CE2 4.02Å
444A86.5Confident88.1Confident49 Ų4961.4 Ų61.441%0.40531%0.305SS..Hα-helixtrans-61.8-44.9-178.800000111.5L447 N448A444-L447 PolarHBondContact O-N 3.49Å; A444-N448 VanDerWaalsContact O-CB 3.28Å; A444-N448 WeakPolarHBondContact O-CB 3.28Å; A444-N448 PolarHBondContact O-N 3.08Å; A444-N448 PolarHBondContact O-ND2 3.13Å; A444-N448 VanDerWaalsContact O-ND2 3.15Å
445D90.4Very high87.3Confident115 Ų11564.4 Ų64.462%0.61532%0.32SS*.Hα-helixtrans-64.1-43.4-179.5-60.5-30.2000112.1F443 N448 A449F443-D445 PolarHBondContact O-N 3.01Å; D445-N448 PolarHBondContact O-N 3.33Å; D445-A449 VanDerWaalsContact O-CB 3.28Å; D445-A449 WeakPolarHBondContact O-CB 3.43Å; D445-A449 PolarHBondContact O-N 2.91Å
446V91.8Very high85.9Confident38 Ų3868.6 Ų68.623%0.2334%0.335CS..Hα-helixtrans-64.7-44.2177.8173.20000111.3F434 P437 Q442 F443 A449 Y450 F465F434-V446 HydrophobicContact CD1-CG1 4.12Å; P437-V446 HydrophobicContact CG-CB 4.32Å; P437-V446 HydrophobicContact CG-CG2 4.13Å; Q442-V446 WeakPolarHBondContact O-CG2 3.45Å; Q442-V446 PolarHBondContact O-N 2.95Å; F443-V446 PolarHBondContact O-N 2.75Å; V446-A449 PolarHBondContact O-N 3.47Å; V446-Y450 PolarHBondContact O-N 3.42Å; V446-F465 HydrophobicContact CG1-CE2 4.18Å; V446-F465 HydrophobicContact CG1-CZ 3.92Å
447L89Confident84.1Confident6 Ų670.3 Ų70.33%0.03136%0.355CS..Hα-helixtrans-67.2-42.4177.917961.5000112F443 A444 A449 Y450 K451 F465 F477 F479F443-L447 HydrophobicContact CE1-CB 4.19Å; F443-L447 HydrophobicContact CE1-CD2 3.81Å; F443-L447 HydrophobicContact CZ-CD2 4.29Å; F443-L447 WeakPolarHBondContact O-CB 3.31Å; F443-L447 PolarHBondContact O-N 3.04Å; A444-L447 PolarHBondContact O-N 3.49Å; L447-A449 VanDerWaalsContact C-N 3.35Å; L447-A449 PolarHBondContact O-N 3.22Å; L447-Y450 PolarHBondContact O-N 3.45Å; L447-K451 HydrophobicContact CD1-CG 4.33Å; L447-K451 HydrophobicContact CG-CD 4.47Å; L447-K451 WeakPolarHBondContact O-CB 3.23Å; L447-K451 PolarHBondContact O-N 2.87Å; L447-F465 HydrophobicContact CD1-CE1 4Å; L447-F477 HydrophobicContact CD2-CB 4.17Å; L447-F477 HydrophobicContact CD2-CD1 3.34Å; L447-F477 HydrophobicContact CD2-CD2 4.06Å; L447-F477 HydrophobicContact CD2-CE1 3.66Å; L447-F477 HydrophobicContact CD2-CE2 4.36Å; L447-F477 HydrophobicContact CD2-CG 3.57Å; L447-F477 HydrophobicContact CD2-CZ 4.16Å; L447-F479 HydrophobicContact CD1-CE1 3.68Å; L447-F479 HydrophobicContact CD1-CZ 3.59Å
448N88.7Confident82.3Confident98 Ų9878.5 Ų78.552%0.52439%0.394SS..Hα-helixtrans-62.6-42.2176.6-72.1-23.7000111.2A444 D445 K452A444-N448 VanDerWaalsContact O-CB 3.28Å; A444-N448 WeakPolarHBondContact O-CB 3.28Å; A444-N448 PolarHBondContact O-N 3.08Å; A444-N448 PolarHBondContact O-ND2 3.13Å; A444-N448 VanDerWaalsContact O-ND2 3.15Å; D445-N448 PolarHBondContact O-N 3.33Å; N448-K452 VanDerWaalsContact O-CB 3.27Å; N448-K452 WeakPolarHBondContact O-CB 3.43Å; N448-K452 PolarHBondContact O-N 2.98Å
449A90.9Very high80.9Confident43 Ų4378.4 Ų78.436%0.35540%0.399SS..Hα-helixtrans-66.6-36.1175.900000112.9F434 D445 V446 L447 L453F434-A449 HydrophobicContact CE1-CB 3.82Å; F434-A449 HydrophobicContact CZ-CB 4.41Å; D445-A449 VanDerWaalsContact O-CB 3.28Å; D445-A449 WeakPolarHBondContact O-CB 3.43Å; D445-A449 PolarHBondContact O-N 2.91Å; V446-A449 PolarHBondContact O-N 3.47Å; L447-A449 VanDerWaalsContact C-N 3.35Å; L447-A449 PolarHBondContact O-N 3.22Å; A449-L453 PolarHBondContact O-N 3.05Å
450Y91.5Very high79.9Confident0 Ų077.4 Ų77.40%041%0.412CS..Hα-helixtrans-63.1-56.5171.6176.3-90.3000111.1G393 L395 F434 V446 L447 K452 L453 T454 A463 F465 F479 A483G393-Y450 WeakPolarHBondContact CA-OH 3.32Å; L395-Y450 HydrophobicContact CD2-CE1 4.34Å; F434-Y450 HydrophobicContact CB-CD2 4.25Å; F434-Y450 AromaticContact CD2-CD2 3.64Å; F434-Y450 HydrophobicContact CD2-CD2 3.64Å; F434-Y450 HydrophobicContact CD2-CG 4.47Å; F434-Y450 HydrophobicContact CE2-CD2 4.12Å; F434-Y450 AromaticContact CG-CD2 3.95Å; F434-Y450 HydrophobicContact CG-CD2 3.95Å; V446-Y450 PolarHBondContact O-N 3.42Å; L447-Y450 PolarHBondContact O-N 3.45Å; Y450-K452 VanDerWaalsContact C-N 3.27Å; Y450-K452 PolarHBondContact O-N 2.86Å; Y450-L453 PolarHBondContact O-N 3.32Å; Y450-T454 HydrophobicContact CD1-CG2 4.43Å; Y450-T454 HydrophobicContact CE1-CG2 3.88Å; Y450-T454 HydrophobicContact CE2-CG2 4.25Å; Y450-T454 PolarHBondContact O-N 3.45Å; Y450-T454 VanDerWaalsContact O-N 3.15Å; Y450-T454 PolarHBondContact O-OG1 2.85Å; Y450-A463 HydrophobicContact CD2-CB 3.72Å; Y450-A463 HydrophobicContact CE2-CB 3.44Å; Y450-A463 VanDerWaalsContact CE2-CB 3.44Å; Y450-F465 AromaticContact CD1-CD1 3.91Å; Y450-F465 HydrophobicContact CD1-CD1 3.91Å; Y450-F465 HydrophobicContact CD1-CE1 4.37Å; Y450-F465 HydrophobicContact CD2-CB 3.95Å; Y450-F465 AromaticContact CD2-CD1 3.6Å; Y450-F465 HydrophobicContact CD2-CD1 3.6Å; Y450-F465 HydrophobicContact CD2-CE1 4.39Å; Y450-F465 HydrophobicContact CD2-CG 4.01Å; Y450-F465 HydrophobicContact CE1-CD1 4.25Å; Y450-F465 HydrophobicContact CE2-CB 3.65Å; Y450-F465 AromaticContact CE2-CD1 3.97Å; Y450-F465 HydrophobicContact CE2-CD1 3.97Å; Y450-F465 HydrophobicContact CE2-CG 4.19Å; Y450-F465 AromaticContact CG-CD1 3.57Å; Y450-F465 HydrophobicContact CG-CD1 3.57Å; Y450-F465 HydrophobicContact CG-CE1 4Å; Y450-F465 HydrophobicContact CG-CG 4.42Å; Y450-F479 HydrophobicContact CD1-CD1 4.29Å; Y450-F479 AromaticContact CD1-CE1 3.89Å; Y450-F479 HydrophobicContact CD1-CE1 3.89Å; Y450-F479 AromaticContact CE1-CD1 3.77Å; Y450-F479 HydrophobicContact CE1-CD1 3.77Å; Y450-F479 AromaticContact CE1-CE1 3.74Å; Y450-F479 HydrophobicContact CE1-CE1 3.74Å; Y450-A483 HydrophobicContact CE1-CB 4.38Å; Y450-A483 WeakPolarHBondContact CE1-O 3.25Å; Y450-A483 PolarHBondContact OH-O 2.98Å
451K87Confident79.6Confident42 Ų4272.8 Ų72.818%0.18340%0.396CS..Hα-helixtrans-54.1-45.2-179.8-82.3-174.6157.7-83.30111.1L447 L453 T454 E455 D478L447-K451 HydrophobicContact CD1-CG 4.33Å; L447-K451 HydrophobicContact CG-CD 4.47Å; L447-K451 WeakPolarHBondContact O-CB 3.23Å; L447-K451 PolarHBondContact O-N 2.87Å; K451-L453 VanDerWaalsContact C-N 3.33Å; K451-L453 PolarHBondContact O-N 2.72Å; K451-T454 WeakPolarHBondContact CA-OG1 3.25Å; K451-T454 PolarHBondContact O-N 3.03Å; K451-T454 VanDerWaalsContact O-N 3.08Å; K451-T454 PolarHBondContact O-OG1 3.18Å; K451-E455 WeakPolarHBondContact CG-OE1 3.22Å; K451-E455 IonicContact NZ-OE1 3.85Å; K451-E455 PolarHBondContact NZ-OE1 3.34Å; K451-E455 WeakPolarHBondContact O-CB 3.38Å; K451-E455 VanDerWaalsContact O-CG 3.32Å; K451-E455 WeakPolarHBondContact O-CG 3.26Å; K451-E455 PolarHBondContact O-N 3.01Å; K451-D478 WeakPolarHBondContact CE-O 3.42Å; K451-D478 PolarHBondContact NZ-O 3.2Å
452K85.9Confident79.8Confident116 Ų11669.2 Ų69.250%0.50438%0.379SS..Hα-helixtrans-52.6-47177-165.7173.7-168.3178.50112.9N448 Y450 E456N448-K452 VanDerWaalsContact O-CB 3.27Å; N448-K452 WeakPolarHBondContact O-CB 3.43Å; N448-K452 PolarHBondContact O-N 2.98Å; Y450-K452 VanDerWaalsContact C-N 3.27Å; Y450-K452 PolarHBondContact O-N 2.86Å; K452-E456 VanDerWaalsContact CE-OE1 3.28Å; K452-E456 WeakPolarHBondContact CE-OE1 3.47Å; K452-E456 WeakPolarHBondContact CE-OE2 3.42Å; K452-E456 VanDerWaalsContact CG-CD 3.47Å; K452-E456 HydrophobicContact CG-CG 4.03Å; K452-E456 IonicContact NZ-OE2 2.71Å; K452-E456 VanDerWaalsContact O-CB 3.31Å; K452-E456 WeakPolarHBondContact O-CB 3.44Å; K452-E456 PolarHBondContact O-N 3.33Å
453L86.2Confident80.1Confident58 Ų5864.9 Ų64.930%0.30436%0.359SS..Hα-helixtrans-73.8-24.7-179.9-67.2-176.3000113.9N432 F434 A449 Y450 K451N432-L453 HydrophobicContact CB-CD1 3.87Å; N432-L453 WeakPolarHBondContact ND2-CD1 3.39Å; F434-L453 HydrophobicContact CE2-CD1 3.95Å; F434-L453 HydrophobicContact CZ-CD1 3.79Å; A449-L453 PolarHBondContact O-N 3.05Å; Y450-L453 PolarHBondContact O-N 3.32Å; K451-L453 VanDerWaalsContact C-N 3.33Å; K451-L453 PolarHBondContact O-N 2.72Å
454T84.1Confident80.5Confident9 Ų964.3 Ų64.36%0.05536%0.357CS..Hα-helixtrans-88.4-30176.552.70000113.8Y450 K451 A463 C482Y450-T454 HydrophobicContact CD1-CG2 4.43Å; Y450-T454 HydrophobicContact CE1-CG2 3.88Å; Y450-T454 HydrophobicContact CE2-CG2 4.25Å; Y450-T454 PolarHBondContact O-N 3.45Å; Y450-T454 VanDerWaalsContact O-N 3.15Å; Y450-T454 PolarHBondContact O-OG1 2.85Å; K451-T454 WeakPolarHBondContact CA-OG1 3.25Å; K451-T454 PolarHBondContact O-N 3.03Å; K451-T454 VanDerWaalsContact O-N 3.08Å; K451-T454 PolarHBondContact O-OG1 3.18Å; T454-A463 HydrophobicContact CG2-CB 3.84Å; T454-C482 WeakPolarHBondContact O-CB 3.32Å
455E78.2Confident80.9Confident94 Ų9462 Ų6244%0.43934%0.337SS..Hα-helixtrans-100.8-39.8-170.5-62.2170.5-172.100112.1K451 G457K451-E455 WeakPolarHBondContact CG-OE1 3.22Å; K451-E455 IonicContact NZ-OE1 3.85Å; K451-E455 PolarHBondContact NZ-OE1 3.34Å; K451-E455 WeakPolarHBondContact O-CB 3.38Å; K451-E455 VanDerWaalsContact O-CG 3.32Å; K451-E455 WeakPolarHBondContact O-CG 3.26Å; K451-E455 PolarHBondContact O-N 3.01Å; E455-G457 PolarHBondContact O-N 2.71Å
456E65.3Low81.2Confident140 Ų14056.5 Ų56.565%0.65431%0.308SS*.SBendtrans-79.433.6-177-61.6-171.9-174.300115K452K452-E456 VanDerWaalsContact CE-OE1 3.28Å; K452-E456 WeakPolarHBondContact CE-OE1 3.47Å; K452-E456 WeakPolarHBondContact CE-OE2 3.42Å; K452-E456 VanDerWaalsContact CG-CD 3.47Å; K452-E456 HydrophobicContact CG-CG 4.03Å; K452-E456 IonicContact NZ-OE2 2.71Å; K452-E456 VanDerWaalsContact O-CB 3.31Å; K452-E456 WeakPolarHBondContact O-CB 3.44Å; K452-E456 PolarHBondContact O-N 3.33Å
457G54.2Low81.3Confident43 Ų4354.7 Ų54.744%0.44330%0.297SS..SBendtrans90.8121.3158.600000117.5E455 Q459E455-G457 PolarHBondContact O-N 2.71Å; G457-Q459 PolarHBondContact O-N 2.85Å
458M53.1Low81.5Confident187 Ų18754.6 Ų54.692%0.92130%0.297SS*.  trans4028.9150.5-92.5-177.5176.200120
459Q56Low81.4Confident122 Ų12250.1 Ų50.157%0.5727%0.273SS*.  trans-56.7131.3162-68.5-65.5-23.600109.1G457 V461G457-Q459 PolarHBondContact O-N 2.85Å; Q459-V461 PolarHBondContact O-N 3.11Å
460P61.9Low80.9Confident128 Ų12850.1 Ų50.183%0.83126%0.263SS*.SBendtrans-67.5-16179.928.3-35.2000112.4
461V75.3Confident80.2Confident53 Ų5350.2 Ų50.232%0.32126%0.264SS..SBendtrans-108.7112.5174.3-1800000107.4N432 Q459N432-V461 VanDerWaalsContact OD1-CG1 3.29Å; N432-V461 WeakPolarHBondContact OD1-CG1 3.38Å; Q459-V461 PolarHBondContact O-N 3.11Å
462G86.5Confident79.8Confident10 Ų1048.9 Ų48.910%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-77.3-169.3175.300000112.6Q392 K431 N432Q392-G462 WeakPolarHBondContact O-CA 3.1Å; K431-G462 CarbonylContact C-O 3.6Å; K431-G462 WeakPolarHBondContact CA-O 3.44Å; K431-G462 WeakPolarHBondContact CB-O 3.21Å; N432-G462 PolarHBondContact N-O 2.82Å
463A93.1Very high79.4Confident0 Ų043.4 Ų43.40%024%0.235CC..EExtended strand (participates in β ladder)trans-115.4150178.600000112Q392 G393 L394 N432 F434 Y450 T454Q392-A463 PolarHBondContact O-N 2.55Å; Q392-A463 VanDerWaalsContact O-N 3.08Å; G393-A463 CarbonylContact C-O 3.57Å; G393-A463 WeakPolarHBondContact CA-O 3.44Å; L394-A463 PolarHBondContact N-O 2.92Å; N432-A463 CarbonylContact O-C 3.56Å; N432-A463 WeakPolarHBondContact O-CA 3.25Å; F434-A463 HydrophobicContact CD2-CB 4.22Å; F434-A463 HydrophobicContact CE2-CB 4.05Å; Y450-A463 HydrophobicContact CD2-CB 3.72Å; Y450-A463 HydrophobicContact CE2-CB 3.44Å; Y450-A463 VanDerWaalsContact CE2-CB 3.44Å; T454-A463 HydrophobicContact CG2-CB 3.84Å
464V95Very high78.8Confident0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-122.9127.716859.70000109.3L394 V396 I427 K431 N432 V433 F434 F466L394-V464 HydrophobicContact CB-CB 4.38Å; L394-V464 HydrophobicContact CB-CG2 4.28Å; L394-V464 HydrophobicContact CD2-CG2 4Å; L394-V464 HydrophobicContact CG-CG2 4.08Å; L394-V464 CarbonylContact O-C 3.57Å; L394-V464 VanDerWaalsContact O-CA 3.27Å; L394-V464 WeakPolarHBondContact O-CA 3.15Å; V396-V464 HydrophobicContact CG2-CG2 3.87Å; I427-V464 HydrophobicContact CG2-CG1 3.71Å; K431-V464 HydrophobicContact CB-CB 4.12Å; K431-V464 HydrophobicContact CB-CG1 3.88Å; K431-V464 HydrophobicContact CD-CB 3.92Å; N432-V464 PolarHBondContact O-N 3.2Å; V433-V464 HydrophobicContact CB-CG1 4.38Å; V433-V464 HydrophobicContact CG2-CG1 3.85Å; F434-V464 PolarHBondContact N-O 3.01Å; V464-F466 HydrophobicContact CG1-CZ 4.49Å; V464-F466 HydrophobicContact CG2-CE1 4.09Å; V464-F466 HydrophobicContact CG2-CZ 4.2Å
465F95.6Very high77.9Confident0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-108.3117.1177.7-147.4153.4000108.9L394 L395 V396 F434 E436 V446 L447 Y450 C467 V473 F479L394-F465 PolarHBondContact O-N 2.94Å; L395-F465 HydrophobicContact CD2-CB 3.68Å; L395-F465 HydrophobicContact CD2-CD1 4.36Å; L395-F465 HydrophobicContact CD2-CG 4.45Å; V396-F465 PolarHBondContact N-O 3.39Å; F434-F465 HydrophobicContact CB-CD2 3.77Å; F434-F465 HydrophobicContact CB-CE2 4.07Å; F434-F465 HydrophobicContact CB-CG 4.03Å; E436-F465 HydrophobicContact CB-CE2 4.36Å; V446-F465 HydrophobicContact CG1-CE2 4.18Å; V446-F465 HydrophobicContact CG1-CZ 3.92Å; L447-F465 HydrophobicContact CD1-CE1 4Å; Y450-F465 AromaticContact CD1-CD1 3.91Å; Y450-F465 HydrophobicContact CD1-CD1 3.91Å; Y450-F465 HydrophobicContact CD1-CE1 4.37Å; Y450-F465 HydrophobicContact CD2-CB 3.95Å; Y450-F465 AromaticContact CD2-CD1 3.6Å; Y450-F465 HydrophobicContact CD2-CD1 3.6Å; Y450-F465 HydrophobicContact CD2-CE1 4.39Å; Y450-F465 HydrophobicContact CD2-CG 4.01Å; Y450-F465 HydrophobicContact CE1-CD1 4.25Å; Y450-F465 HydrophobicContact CE2-CB 3.65Å; Y450-F465 AromaticContact CE2-CD1 3.97Å; Y450-F465 HydrophobicContact CE2-CD1 3.97Å; Y450-F465 HydrophobicContact CE2-CG 4.19Å; Y450-F465 AromaticContact CG-CD1 3.57Å; Y450-F465 HydrophobicContact CG-CD1 3.57Å; Y450-F465 HydrophobicContact CG-CE1 4Å; Y450-F465 HydrophobicContact CG-CG 4.42Å; F465-C467 VanDerWaalsContact CG-SG 3.6Å; F465-C467 PolarHBondContact O-SG 3.04Å; F465-C467 VanDerWaalsContact O-SG 3.39Å; F465-V473 HydrophobicContact CE1-CG2 4.22Å; F465-V473 HydrophobicContact CE2-CG2 4.15Å; F465-V473 HydrophobicContact CZ-CG2 3.89Å; F465-F479 HydrophobicContact CD1-CE1 4.25Å; F465-F479 HydrophobicContact CE1-CE1 4.48Å
466F96.6Very high77.2Confident0 Ų039.4 Ų39.40%023%0.23CC..EExtended strand (participates in β ladder)trans-86.7110.9169.2-63.8-56000109.8V383 V396 F398 L404 T408 W411 M424 I427 V433 F434 V435 E436 V464V383-F466 HydrophobicContact CG1-CE1 4.01Å; V383-F466 HydrophobicContact CG1-CZ 4.21Å; V396-F466 HydrophobicContact CB-CD1 3.77Å; V396-F466 HydrophobicContact CB-CE1 4.08Å; V396-F466 HydrophobicContact CG1-CD1 3.89Å; V396-F466 HydrophobicContact CG1-CE1 4.06Å; V396-F466 HydrophobicContact CG2-CD1 4.37Å; V396-F466 HydrophobicContact CG2-CE1 4.24Å; F398-F466 HydrophobicContact CE2-CB 4.14Å; F398-F466 AromaticContact CE2-CD1 3.74Å; F398-F466 HydrophobicContact CE2-CD1 3.74Å; F398-F466 HydrophobicContact CE2-CG 4.26Å; F398-F466 HydrophobicContact CZ-CD1 4.31Å; L404-F466 HydrophobicContact CD1-CB 3.6Å; L404-F466 HydrophobicContact CD1-CG 4.45Å; T408-F466 HydrophobicContact CG2-CD2 4.45Å; W411-F466 HydrophobicContact CE3-CZ 4.49Å; W411-F466 AromaticContact CZ3-CE1 3.9Å; W411-F466 HydrophobicContact CZ3-CE1 3.9Å; W411-F466 AromaticContact CZ3-CZ 3.99Å; W411-F466 HydrophobicContact CZ3-CZ 3.99Å; M424-F466 HydrophobicContact CE-CE2 4Å; M424-F466 HydrophobicContact SD-CE2 4.01Å; I427-F466 HydrophobicContact CD1-CZ 4Å; I427-F466 HydrophobicContact CG2-CZ 4.34Å; V433-F466 HydrophobicContact CG1-CD2 3.74Å; V433-F466 HydrophobicContact CG1-CE2 3.59Å; F434-F466 PolarHBondContact O-N 3.19Å; V435-F466 WeakPolarHBondContact CA-O 3.42Å; V435-F466 HydrophobicContact CG2-CB 4.41Å; V435-F466 HydrophobicContact CG2-CD2 4.2Å; E436-F466 PolarHBondContact N-O 3.05Å; V464-F466 HydrophobicContact CG1-CZ 4.49Å; V464-F466 HydrophobicContact CG2-CE1 4.09Å; V464-F466 HydrophobicContact CG2-CZ 4.2Å
467C94.3Very high77.5Confident0 Ų036.7 Ų36.70%022%0.216CC..EExtended strand (participates in β ladder)trans-119.3169.1-167-53.90000111.2V396 F397 F398 F465 V473V396-C467 PolarHBondContact O-N 3.31Å; F397-C467 WeakPolarHBondContact CA-O 3.36Å; F397-C467 HydrophobicContact CD1-CB 3.49Å; F397-C467 VanDerWaalsContact CD1-CB 3.49Å; F397-C467 HydrophobicContact CD2-CB 4.45Å; F397-C467 HydrophobicContact CE1-CB 3.57Å; F397-C467 HydrophobicContact CG-CB 3.97Å; F397-C467 HydrophobicContact CZ-CB 4.12Å; F398-C467 PolarHBondContact N-O 3.2Å; F465-C467 VanDerWaalsContact CG-SG 3.6Å; F465-C467 PolarHBondContact O-SG 3.04Å; F465-C467 VanDerWaalsContact O-SG 3.39Å; C467-V473 HydrophobicContact CB-CB 3.94Å; C467-V473 HydrophobicContact CB-CG1 4.05Å; C467-V473 HydrophobicContact CB-CG2 4.32Å; C467-V473 WeakPolarHBondContact SG-CG1 3.36Å
468V92Very high78.3Confident4 Ų439 Ų392%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-117.6132.2175.4176.50000110.5F398 Y401 L404 E436 G471 S474F398-V468 WeakPolarHBondContact O-CA 3.34Å; Y401-V468 HydrophobicContact CD1-CG2 3.64Å; Y401-V468 HydrophobicContact CD2-CG1 4.16Å; Y401-V468 HydrophobicContact CD2-CG2 4.21Å; Y401-V468 HydrophobicContact CE1-CG2 3.95Å; Y401-V468 HydrophobicContact CE2-CB 4.47Å; Y401-V468 HydrophobicContact CE2-CG1 4.31Å; Y401-V468 HydrophobicContact CE2-CG2 4.47Å; Y401-V468 HydrophobicContact CG-CG1 4.5Å; Y401-V468 HydrophobicContact CG-CG2 3.79Å; L404-V468 HydrophobicContact CB-CG2 4.39Å; L404-V468 HydrophobicContact CD2-CG2 3.68Å; E436-V468 PolarHBondContact OE2-N 2.85Å; V468-G471 VanDerWaalsContact O-CA 3.27Å; V468-G471 WeakPolarHBondContact O-CA 3.48Å; V468-G471 PolarHBondContact O-N 3.32Å; V468-S474 PolarHBondContact O-OG 3.11Å
469M87.5Confident79.5Confident3 Ų330.1 Ų30.12%0.01518%0.175CC..THydrogen-bonded Turntrans-68.7133.5166.5-61.5-171.2-98.700108.5F397 F398 P399 G471 I489 I490 P493 V612 A615F397-M469 HydrophobicContact CB-CG 3.67Å; F397-M469 HydrophobicContact CD1-CG 4.29Å; F397-M469 HydrophobicContact CG-CG 4.35Å; F398-M469 PolarHBondContact O-N 3.21Å; P399-M469 HydrophobicContact CB-CE 4.12Å; M469-G471 PolarHBondContact O-N 2.85Å; M469-I489 HydrophobicContact CE-CG2 3.79Å; M469-I489 HydrophobicContact SD-CD1 4.4Å; M469-I489 HydrophobicContact SD-CG2 3.81Å; M469-I490 VanDerWaalsContact CE-O 3.28Å; M469-I490 WeakPolarHBondContact CE-O 3.34Å; M469-P493 HydrophobicContact CB-CB 3.83Å; M469-P493 HydrophobicContact CB-CG 4.07Å; M469-P493 HydrophobicContact CE-CB 4.34Å; M469-P493 HydrophobicContact CE-CG 4.28Å; M469-P493 HydrophobicContact SD-CB 4.15Å; M469-P493 HydrophobicContact SD-CG 3.67Å; M469-V612 HydrophobicContact SD-CG2 3.99Å; M469-A615 HydrophobicContact CG-CB 4.36Å
470R78.9Confident80.3Confident43 Ų4326 Ų2616%0.16216%0.162CC..THydrogen-bonded Turntrans66.115.9-161.7-52.1-174.5179.2-130.2-1.3114.2I73 S474 E607 A611I73-R470 HydrophobicContact CB-CB 4.32Å; I73-R470 HydrophobicContact CB-CG 4.42Å; I73-R470 VanDerWaalsContact CD1-CA 3.48Å; I73-R470 HydrophobicContact CD1-CB 4.23Å; I73-R470 HydrophobicContact CG1-CB 4.01Å; R470-S474 PolarHBondContact N-OG 2.74Å; R470-E607 IonicContact CZ-OE2 2.99Å; R470-E607 IonicContact NH1-OE2 2.67Å; R470-E607 PolarHBondContact NH1-OE2 3.38Å; R470-E607 PolarHBondContact NH2-O 2.61Å; R470-E607 IonicContact NH2-OE2 3.31Å; R470-E607 PolarHBondContact NH2-OE2 3.09Å; R470-A611 HydrophobicContact CG-CB 3.75Å
471G77.1Confident81Confident2 Ų223 Ų232%0.02114%0.139CC..SBendtrans-95.2175170.700000113.2E436 V468 M469 V473 S474 E475E436-G471 WeakPolarHBondContact OE1-CA 3.34Å; V468-G471 VanDerWaalsContact O-CA 3.27Å; V468-G471 WeakPolarHBondContact O-CA 3.48Å; V468-G471 PolarHBondContact O-N 3.32Å; M469-G471 PolarHBondContact O-N 2.85Å; G471-V473 VanDerWaalsContact C-N 3.25Å; G471-V473 PolarHBondContact O-N 3.35Å; G471-S474 PolarHBondContact N-OG 3.28Å; G471-S474 VanDerWaalsContact N-OG 3.09Å; G471-S474 PolarHBondContact O-N 2.91Å; G471-S474 VanDerWaalsContact O-N 3.1Å; G471-S474 PolarHBondContact O-OG 3.35Å; G471-E475 VanDerWaalsContact O-OE2 3.13Å
472K78.6Confident81.4Confident15 Ų1522.1 Ų22.17%0.06513%0.134CC..THydrogen-bonded Turntrans-62.6-28.1178.3-61.9164-165146.50113.1E436 P437 R438 R439 F443 S474 E475E436-K472 WeakPolarHBondContact OE1-CA 3.24Å; E436-K472 WeakPolarHBondContact OE1-CB 3.46Å; E436-K472 PolarHBondContact OE1-N 3.49Å; P437-K472 PolarHBondContact O-NZ 2.78Å; R438-K472 PolarHBondContact O-NZ 2.58Å; R439-K472 VanDerWaalsContact C-NZ 3.29Å; R439-K472 PolarHBondContact O-NZ 2.83Å; F443-K472 HydrophobicContact CB-CD 4.12Å; F443-K472 HydrophobicContact CD1-CD 4.42Å; F443-K472 HydrophobicContact CD2-CB 3.85Å; F443-K472 HydrophobicContact CD2-CD 3.45Å; F443-K472 VanDerWaalsContact CD2-CD 3.45Å; F443-K472 HydrophobicContact CD2-CG 4.32Å; F443-K472 HydrophobicContact CE1-CB 4.24Å; F443-K472 HydrophobicContact CE2-CB 3.42Å; F443-K472 VanDerWaalsContact CE2-CB 3.42Å; F443-K472 HydrophobicContact CE2-CD 3.96Å; F443-K472 HydrophobicContact CE2-CG 4.37Å; F443-K472 HydrophobicContact CG-CB 4.41Å; F443-K472 HydrophobicContact CG-CD 3.71Å; F443-K472 HydrophobicContact CZ-CB 3.65Å; K472-S474 VanDerWaalsContact C-N 3.32Å; K472-E475 PolarHBondContact O-N 3.19Å
473V78.2Confident81.3Confident0 Ų021.6 Ų21.60%013%0.129CC..THydrogen-bonded Turntrans-74.9-24.8177.3-177.20000111.7F397 E436 F443 F465 C467 G471 E475 F479F397-V473 HydrophobicContact CE1-CB 4.27Å; F397-V473 HydrophobicContact CE1-CG1 4.18Å; F397-V473 HydrophobicContact CZ-CG1 4Å; E436-V473 HydrophobicContact CB-CG2 4.24Å; E436-V473 HydrophobicContact CG-CG2 3.95Å; E436-V473 PolarHBondContact OE1-N 2.96Å; E436-V473 WeakPolarHBondContact OE2-CG2 3.39Å; F443-V473 HydrophobicContact CE2-CG2 3.68Å; F443-V473 HydrophobicContact CZ-CG2 3.91Å; F465-V473 HydrophobicContact CE1-CG2 4.22Å; F465-V473 HydrophobicContact CE2-CG2 4.15Å; F465-V473 HydrophobicContact CZ-CG2 3.89Å; C467-V473 HydrophobicContact CB-CB 3.94Å; C467-V473 HydrophobicContact CB-CG1 4.05Å; C467-V473 HydrophobicContact CB-CG2 4.32Å; C467-V473 WeakPolarHBondContact SG-CG1 3.36Å; G471-V473 VanDerWaalsContact C-N 3.25Å; G471-V473 PolarHBondContact O-N 3.35Å; V473-E475 VanDerWaalsContact C-N 3.35Å; V473-F479 HydrophobicContact CG1-CE2 3.63Å; V473-F479 HydrophobicContact CG1-CZ 3.53Å
474S72.8Confident81.1Confident0 Ų021.7 Ų21.70%013%0.13CC..THydrogen-bonded Turntrans-79.6-11173.2400000114.4V468 R470 G471 K472 R618V468-S474 PolarHBondContact O-OG 3.11Å; R470-S474 PolarHBondContact N-OG 2.74Å; G471-S474 PolarHBondContact N-OG 3.28Å; G471-S474 VanDerWaalsContact N-OG 3.09Å; G471-S474 PolarHBondContact O-N 2.91Å; G471-S474 VanDerWaalsContact O-N 3.1Å; G471-S474 PolarHBondContact O-OG 3.35Å; K472-S474 VanDerWaalsContact C-N 3.32Å; S474-R618 PolarHBondContact O-NE 3.49Å; S474-R618 VanDerWaalsContact O-NE 3.07Å; S474-R618 PolarHBondContact O-NH2 2.98Å
475E66.4Low80.8Confident16 Ų1622 Ų228%0.07513%0.131CC..SBendtrans-113.4146.9-178.8-71.2162.18400112.3K68 I73 G471 K472 V473 F477K68-E475 VanDerWaalsContact CE-OE2 3.29Å; K68-E475 WeakPolarHBondContact CE-OE2 3.46Å; K68-E475 IonicContact NZ-OE1 3.5Å; K68-E475 PolarHBondContact NZ-OE1 3.06Å; K68-E475 IonicContact NZ-OE2 3.78Å; K68-E475 PolarHBondContact NZ-OE2 2.79Å; I73-E475 HydrophobicContact CD1-CG 3.32Å; I73-E475 VanDerWaalsContact CG1-CD 3.48Å; I73-E475 HydrophobicContact CG1-CG 3.81Å; G471-E475 VanDerWaalsContact O-OE2 3.13Å; K472-E475 PolarHBondContact O-N 3.19Å; V473-E475 VanDerWaalsContact C-N 3.35Å; E475-F477 WeakPolarHBondContact O-CD2 3.34Å; E475-F477 PolarHBondContact O-N 3.16Å
476G63.8Low80.6Confident61 Ų6122 Ų2263%0.62913%0.131SC*.SBendtrans61.12.3154.600000118.3
477F71.1Confident80.4Confident83 Ų8322 Ų2236%0.36413%0.131SC..  trans-128125.3179.9-65.7-71.9000111.1F443 L447 E475 F479 R618F443-F477 HydrophobicContact CD1-CE2 4.21Å; F443-F477 HydrophobicContact CD1-CZ 4.39Å; F443-F477 AromaticContact CE1-CD2 3.81Å; F443-F477 HydrophobicContact CE1-CD2 3.81Å; F443-F477 AromaticContact CE1-CE2 3.34Å; F443-F477 HydrophobicContact CE1-CE2 3.34Å; F443-F477 AromaticContact CE1-CZ 3.79Å; F443-F477 HydrophobicContact CE1-CZ 3.79Å; F443-F477 HydrophobicContact CZ-CD2 4.11Å; F443-F477 HydrophobicContact CZ-CE2 4.02Å; L447-F477 HydrophobicContact CD2-CB 4.17Å; L447-F477 HydrophobicContact CD2-CD1 3.34Å; L447-F477 HydrophobicContact CD2-CD2 4.06Å; L447-F477 HydrophobicContact CD2-CE1 3.66Å; L447-F477 HydrophobicContact CD2-CE2 4.36Å; L447-F477 HydrophobicContact CD2-CG 3.57Å; L447-F477 HydrophobicContact CD2-CZ 4.16Å; E475-F477 WeakPolarHBondContact O-CD2 3.34Å; E475-F477 PolarHBondContact O-N 3.16Å; F477-F479 HydrophobicContact CB-CE2 4.22Å; F477-R618 PolarHBondContact O-NH1 3.42Å
478D71.3Confident80.4Confident91 Ų9122 Ų2249%0.48713%0.132SC..  trans-91.9119.2173.7-70.1-48.3000111.4K451 R618 R621K451-D478 WeakPolarHBondContact CE-O 3.42Å; K451-D478 PolarHBondContact NZ-O 3.2Å; D478-R618 IonicContact OD1-NH1 3.69Å; D478-R621 IonicContact OD1-CZ 2.68Å; D478-R621 IonicContact OD1-NE 2.6Å; D478-R621 PolarHBondContact OD1-NE 2.82Å; D478-R621 IonicContact OD1-NH1 3.77Å; D478-R621 PolarHBondContact OD1-NH1 3.29Å
479F77Confident80.5Confident1 Ų121.9 Ų21.90%0.00413%0.13CC..  trans-90.197.8164-61.5-92.9000106.2L395 L447 Y450 F465 V473 F477 A483 A484 R618 R621L395-F479 HydrophobicContact CD1-CB 4.39Å; L395-F479 HydrophobicContact CD1-CD1 4.29Å; L395-F479 HydrophobicContact CD1-CD2 4.01Å; L395-F479 HydrophobicContact CD1-CE2 4.44Å; L395-F479 HydrophobicContact CD1-CG 3.95Å; L395-F479 HydrophobicContact CD2-CD1 4.12Å; L395-F479 HydrophobicContact CD2-CE1 4.1Å; L447-F479 HydrophobicContact CD1-CE1 3.68Å; L447-F479 HydrophobicContact CD1-CZ 3.59Å; Y450-F479 HydrophobicContact CD1-CD1 4.29Å; Y450-F479 AromaticContact CD1-CE1 3.89Å; Y450-F479 HydrophobicContact CD1-CE1 3.89Å; Y450-F479 AromaticContact CE1-CD1 3.77Å; Y450-F479 HydrophobicContact CE1-CD1 3.77Å; Y450-F479 AromaticContact CE1-CE1 3.74Å; Y450-F479 HydrophobicContact CE1-CE1 3.74Å; F465-F479 HydrophobicContact CD1-CE1 4.25Å; F465-F479 HydrophobicContact CE1-CE1 4.48Å; V473-F479 HydrophobicContact CG1-CE2 3.63Å; V473-F479 HydrophobicContact CG1-CZ 3.53Å; F477-F479 HydrophobicContact CB-CE2 4.22Å; F479-A483 HydrophobicContact CB-CB 3.9Å; F479-A483 HydrophobicContact CD1-CB 4.01Å; F479-A483 HydrophobicContact CG-CB 4.47Å; F479-A484 HydrophobicContact CB-CB 3.58Å; F479-A484 HydrophobicContact CG-CB 4.42Å; F479-R618 HydrophobicContact CD2-CB 4.44Å; F479-R621 VanDerWaalsContact N-NH2 3.12Å; F479-R621 VanDerWaalsContact O-CZ 3.31Å; F479-R621 PolarHBondContact O-NE 2.68Å; F479-R621 PolarHBondContact O-NH2 2.85Å
480A72.9Confident80.7Confident36 Ų3621.8 Ų21.830%0.29813%0.13SC..  trans-87.3147.9174.800000110C482 A483 R621A480-C482 PolarHBondContact O-N 3.14Å; A480-C482 VanDerWaalsContact O-N 3.16Å; A480-A483 VanDerWaalsContact O-CB 3.25Å; A480-A483 WeakPolarHBondContact O-CB 3.46Å; A480-A483 PolarHBondContact O-N 3.15Å; A480-R621 HydrophobicContact CB-CG 4.02Å
481D77.9Confident81.2Confident66 Ų6619.8 Ų19.835%0.35312%0.123SC..G310 helixtrans49.3-117.8168.4-79.5-65.6000114.1A483 A484 R485 H622D481-A483 PolarHBondContact O-N 3.43Å; D481-A484 PolarHBondContact O-N 2.88Å; D481-R485 VanDerWaalsContact CA-CZ 3.48Å; D481-R485 VanDerWaalsContact CB-NH2 3.29Å; D481-R485 VanDerWaalsContact O-CZ 3.31Å; D481-R485 PolarHBondContact O-NE 2.86Å; D481-R485 IonicContact OD1-CZ 3.65Å; D481-R485 IonicContact OD1-NH1 4Å; D481-R485 IonicContact OD1-NH2 2.21Å; D481-R485 PolarHBondContact OD1-NH2 2.72Å; D481-H622 IonicContact OD2-NE2 2.82Å
482C83.7Confident81.6Confident33 Ų3320.8 Ų20.822%0.22313%0.127CC..G310 helixtrans-61.2-17.5-174.3-53.60000112.7Q392 G393 T454 A480Q392-C482 HydrophobicContact CB-CB 4.17Å; Q392-C482 VanDerWaalsContact CB-O 3.28Å; Q392-C482 WeakPolarHBondContact CB-O 3.3Å; Q392-C482 VanDerWaalsContact CD-SG 3.56Å; Q392-C482 HydrophobicContact CG-CB 4.2Å; Q392-C482 PolarHBondContact NE2-SG 3.3Å; G393-C482 WeakPolarHBondContact CA-O 3.29Å; G393-C482 PolarHBondContact N-O 3.42Å; T454-C482 WeakPolarHBondContact O-CB 3.32Å; A480-C482 PolarHBondContact O-N 3.14Å; A480-C482 VanDerWaalsContact O-N 3.16Å
483A83.8Confident82Confident0 Ų020.3 Ų20.30%013%0.126CC..G310 helixtrans-75-18-178.900000113.9Y450 F479 A480 D481Y450-A483 HydrophobicContact CE1-CB 4.38Å; Y450-A483 WeakPolarHBondContact CE1-O 3.25Å; Y450-A483 PolarHBondContact OH-O 2.98Å; F479-A483 HydrophobicContact CB-CB 3.9Å; F479-A483 HydrophobicContact CD1-CB 4.01Å; F479-A483 HydrophobicContact CG-CB 4.47Å; A480-A483 VanDerWaalsContact O-CB 3.25Å; A480-A483 WeakPolarHBondContact O-CB 3.46Å; A480-A483 PolarHBondContact O-N 3.15Å; D481-A483 PolarHBondContact O-N 3.43Å
484A87.9Confident82.3Confident1 Ų124.3 Ų24.31%0.00814%0.143CC..  trans-153.261.9-179.600000114.6L395 F479 D481 A486 R618L395-A484 HydrophobicContact CD1-CB 3.7Å; L395-A484 HydrophobicContact CG-CB 3.98Å; F479-A484 HydrophobicContact CB-CB 3.58Å; F479-A484 HydrophobicContact CG-CB 4.42Å; D481-A484 PolarHBondContact O-N 2.88Å; A484-A486 PolarHBondContact O-N 3.42Å; A484-R618 VanDerWaalsContact CB-O 3.3Å; A484-R618 WeakPolarHBondContact CB-O 3.43Å
485R89.1Confident82.9Confident6 Ų624.9 Ų24.92%0.02315%0.147CC..SBendtrans-70-15.6178.7-66.5-62.5176.9-148.9-2.7114.5V390 P391 Q392 G393 D481 D625 F626 G627 A628 Y668V390-R485 HydrophobicContact CG1-CB 4.22Å; P391-R485 HydrophobicContact CG-CB 4.3Å; P391-R485 HydrophobicContact CG-CG 4.4Å; Q392-R485 HydrophobicContact CB-CG 4.34Å; G393-R485 PolarHBondContact O-N 2.65Å; D481-R485 VanDerWaalsContact CA-CZ 3.48Å; D481-R485 VanDerWaalsContact CB-NH2 3.29Å; D481-R485 VanDerWaalsContact O-CZ 3.31Å; D481-R485 PolarHBondContact O-NE 2.86Å; D481-R485 IonicContact OD1-CZ 3.65Å; D481-R485 IonicContact OD1-NH1 4Å; D481-R485 IonicContact OD1-NH2 2.21Å; D481-R485 PolarHBondContact OD1-NH2 2.72Å; R485-D625 IonicContact CZ-OD1 3.12Å; R485-D625 IonicContact NH1-OD1 2.66Å; R485-D625 PolarHBondContact NH1-OD1 2.93Å; R485-F626 WeakPolarHBondContact CD-O 3.34Å; R485-F626 VanDerWaalsContact CZ-CZ 3.49Å; R485-F626 VanDerWaalsContact NE-CZ 3.3Å; R485-F626 VanDerWaalsContact NH1-CE1 3.34Å; R485-F626 PolarHBondContact NH1-O 3.14Å; R485-G627 VanDerWaalsContact O-CA 3.25Å; R485-G627 WeakPolarHBondContact O-CA 2.79Å; R485-A628 PolarHBondContact O-N 3.4Å; R485-Y668 HydrophobicContact CB-CE1 4.26Å; R485-Y668 PolarHBondContact O-OH 2.95Å
486A91.8Very high83.9Confident0 Ų028.3 Ų28.30%017%0.171CC..EExtended strand (participates in β ladder)trans-147.8153.5156.800000112.9V390 L394 L395 A484 A628 I630V390-A486 HydrophobicContact CG1-CB 3.81Å; V390-A486 HydrophobicContact CG2-CB 3.86Å; L394-A486 HydrophobicContact CD1-CB 3.89Å; L395-A486 PolarHBondContact N-O 2.82Å; A484-A486 PolarHBondContact O-N 3.42Å; A486-A628 CarbonylContact C-O 3.58Å; A486-A628 WeakPolarHBondContact CA-O 3.36Å; A486-A628 WeakPolarHBondContact CB-O 3.28Å; A486-I630 HydrophobicContact CB-CD1 3.85Å
487V92.8Very high85Confident0 Ų027.7 Ų27.70%016%0.16CC..EExtended strand (participates in β ladder)trans-111.2130.1165.1159.60000109.3L395 F397 I489 V619 A628 V629 I630L395-V487 HydrophobicContact CB-CG2 3.95Å; L395-V487 HydrophobicContact CD1-CG2 4.07Å; L395-V487 HydrophobicContact CG-CG2 4.47Å; L395-V487 CarbonylContact O-C 3.59Å; L395-V487 WeakPolarHBondContact O-CA 3.24Å; F397-V487 HydrophobicContact CD2-CG1 4.02Å; F397-V487 HydrophobicContact CE2-CG1 4.32Å; F397-V487 HydrophobicContact CE2-CG2 4.16Å; V487-I489 HydrophobicContact CG1-CD1 3.53Å; V487-I489 HydrophobicContact CG1-CG1 4.05Å; V487-V619 HydrophobicContact CB-CG2 3.48Å; V487-V619 VanDerWaalsContact CB-CG2 3.48Å; V487-V619 HydrophobicContact CG2-CG2 3.35Å; V487-A628 PolarHBondContact N-O 3.4Å; V487-V629 CarbonylContact O-C 3.52Å; V487-V629 WeakPolarHBondContact O-CA 3.4Å; V487-I630 PolarHBondContact O-N 3.21Å
488V94.2Very high85.7Confident2 Ų232 Ų321%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-108123.1170.1-170.90000108.6L386 L394 L395 V396 F397 I490 I630 A632L386-V488 HydrophobicContact CD1-CG1 4.28Å; L386-V488 HydrophobicContact CD1-CG2 3.83Å; L394-V488 HydrophobicContact CD1-CG2 3.79Å; L395-V488 PolarHBondContact O-N 2.91Å; V396-V488 HydrophobicContact CB-CB 4.45Å; V396-V488 HydrophobicContact CG1-CB 4.3Å; V396-V488 HydrophobicContact CG2-CB 4.14Å; V396-V488 HydrophobicContact CG2-CG2 4.1Å; F397-V488 PolarHBondContact N-O 3.32Å; V488-I490 HydrophobicContact CG1-CG1 4.2Å; V488-I630 CarbonylContact C-O 3.45Å; V488-I630 VanDerWaalsContact CA-O 3.32Å; V488-I630 WeakPolarHBondContact CA-O 3.27Å; V488-I630 HydrophobicContact CG1-CB 4.41Å; V488-I630 HydrophobicContact CG2-CB 4.36Å; V488-I630 HydrophobicContact CG2-CD1 4.46Å; V488-A632 HydrophobicContact CG1-CB 4.05Å
489I92.9Very high86.5Confident0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-98.8118.9173.9-56.4-57.2000108.1F397 M469 V487 V612 A615 I616 I630 L631 A632F397-I489 HydrophobicContact CB-CD1 4.17Å; F397-I489 HydrophobicContact CD2-CD1 4.43Å; M469-I489 HydrophobicContact CE-CG2 3.79Å; M469-I489 HydrophobicContact SD-CD1 4.4Å; M469-I489 HydrophobicContact SD-CG2 3.81Å; V487-I489 HydrophobicContact CG1-CD1 3.53Å; V487-I489 HydrophobicContact CG1-CG1 4.05Å; I489-V612 HydrophobicContact CG1-CG1 4.43Å; I489-V612 HydrophobicContact CG2-CG1 4.31Å; I489-V612 HydrophobicContact CG2-CG2 4.2Å; I489-A615 HydrophobicContact CD1-CB 3.6Å; I489-I616 HydrophobicContact CD1-CG1 4.3Å; I489-I616 HydrophobicContact CG1-CG1 4.13Å; I489-I630 PolarHBondContact N-O 2.9Å; I489-L631 HydrophobicContact CB-CD2 3.67Å; I489-L631 HydrophobicContact CG1-CD2 3.53Å; I489-L631 HydrophobicContact CG2-CD2 4.35Å; I489-A632 WeakPolarHBondContact O-CB 3.29Å; I489-A632 PolarHBondContact O-N 2.92Å
490I93.3Very high87Confident1 Ų132.1 Ų32.11%0.00518%0.181CC..  trans-104.9115.8178.3-62178.8000108.9L379 V383 V396 F397 F398 P399 M469 V488L379-I490 HydrophobicContact CD1-CD1 4.06Å; L379-I490 HydrophobicContact CD1-CG1 4.14Å; L379-I490 HydrophobicContact CD1-CG2 4.01Å; L379-I490 HydrophobicContact CD2-CD1 4.32Å; L379-I490 HydrophobicContact CD2-CG2 3.78Å; L379-I490 HydrophobicContact CG-CD1 4.38Å; V383-I490 HydrophobicContact CG2-CD1 4.49Å; V396-I490 HydrophobicContact CG1-CD1 3.44Å; V396-I490 VanDerWaalsContact CG1-CD1 3.44Å; V396-I490 HydrophobicContact CG1-CG1 4.22Å; F397-I490 WeakPolarHBondContact O-CB 3.4Å; F397-I490 PolarHBondContact O-N 3.35Å; F398-I490 HydrophobicContact CD1-CB 4.32Å; F398-I490 HydrophobicContact CD1-CD1 4.08Å; F398-I490 HydrophobicContact CD1-CG2 4.11Å; F398-I490 HydrophobicContact CE1-CD1 3.6Å; F398-I490 HydrophobicContact CE1-CG2 4.3Å; F398-I490 HydrophobicContact CE2-CD1 4.31Å; F398-I490 HydrophobicContact CZ-CD1 3.75Å; P399-I490 WeakPolarHBondContact CD-O 3.39Å; M469-I490 VanDerWaalsContact CE-O 3.28Å; M469-I490 WeakPolarHBondContact CE-O 3.34Å; V488-I490 HydrophobicContact CG1-CG1 4.2Å
491G88.8Confident87.8Confident1 Ų131.9 Ų31.91%0.0117%0.173CC..SBendtrans66.6-166.6-177.100000113.4D633G491-D633 WeakPolarHBondContact CA-OD2 3.48Å
492I85.1Confident88.4Confident23 Ų2329.4 Ų29.412%0.11816%0.16CC..  trans-124.7128-178.4-61.4173.6000108.6F494 A608 S635 I636 L640I492-F494 HydrophobicContact CB-CD2 3.88Å; I492-F494 HydrophobicContact CB-CE2 3.66Å; I492-F494 HydrophobicContact CB-CZ 4.41Å; I492-F494 HydrophobicContact CD1-CE2 4.08Å; I492-F494 HydrophobicContact CD1-CZ 4.38Å; I492-F494 HydrophobicContact CG1-CE2 4.48Å; I492-F494 HydrophobicContact CG2-CD1 4.37Å; I492-F494 HydrophobicContact CG2-CD2 3.55Å; I492-F494 HydrophobicContact CG2-CE1 4.19Å; I492-F494 HydrophobicContact CG2-CE2 3.34Å; I492-F494 HydrophobicContact CG2-CG 4.07Å; I492-F494 HydrophobicContact CG2-CZ 3.69Å; I492-F494 PolarHBondContact O-N 3.28Å; I492-A608 HydrophobicContact CG2-CB 3.5Å; I492-A608 VanDerWaalsContact CG2-CB 3.5Å; I492-S635 WeakPolarHBondContact CD1-OG 2.99Å; I492-I636 HydrophobicContact CD1-CG1 3.84Å; I492-I636 HydrophobicContact CG1-CD1 4.26Å; I492-I636 HydrophobicContact CG1-CG1 3.81Å; I492-L640 HydrophobicContact CD1-CD1 3.84Å
493P86.6Confident88.8Confident5 Ų532.9 Ų32.93%0.03217%0.168CC..  trans-83.958.8-174.637.6-38.4000111.7P399 M469 A611 V612P399-P493 HydrophobicContact CB-CB 4.22Å; M469-P493 HydrophobicContact CB-CB 3.83Å; M469-P493 HydrophobicContact CB-CG 4.07Å; M469-P493 HydrophobicContact CE-CB 4.34Å; M469-P493 HydrophobicContact CE-CG 4.28Å; M469-P493 HydrophobicContact SD-CB 4.15Å; M469-P493 HydrophobicContact SD-CG 3.67Å; P493-A611 HydrophobicContact CB-CB 4.38Å; P493-A611 HydrophobicContact CG-CB 3.68Å; P493-V612 HydrophobicContact CG-CG2 3.98Å
494F85.9Confident89.2Confident84 Ų8433.9 Ų33.937%0.36817%0.174SC..  trans-59.7140.9176.1-74.4-73000111.8I492 Y604 V605 A608I492-F494 HydrophobicContact CB-CD2 3.88Å; I492-F494 HydrophobicContact CB-CE2 3.66Å; I492-F494 HydrophobicContact CB-CZ 4.41Å; I492-F494 HydrophobicContact CD1-CE2 4.08Å; I492-F494 HydrophobicContact CD1-CZ 4.38Å; I492-F494 HydrophobicContact CG1-CE2 4.48Å; I492-F494 HydrophobicContact CG2-CD1 4.37Å; I492-F494 HydrophobicContact CG2-CD2 3.55Å; I492-F494 HydrophobicContact CG2-CE1 4.19Å; I492-F494 HydrophobicContact CG2-CE2 3.34Å; I492-F494 HydrophobicContact CG2-CG 4.07Å; I492-F494 HydrophobicContact CG2-CZ 3.69Å; I492-F494 PolarHBondContact O-N 3.28Å; F494-Y604 HydrophobicContact CB-CE1 4.38Å; F494-Y604 AromaticContact CD1-CD1 3.94Å; F494-Y604 HydrophobicContact CD1-CD1 3.94Å; F494-Y604 AromaticContact CD1-CE1 3.45Å; F494-Y604 HydrophobicContact CD1-CE1 3.45Å; F494-Y604 VanDerWaalsContact CD1-CE1 3.45Å; F494-Y604 AromaticContact CD1-CZ 3.87Å; F494-Y604 HydrophobicContact CE1-CD1 4.22Å; F494-Y604 AromaticContact CE1-CE1 3.94Å; F494-Y604 HydrophobicContact CE1-CE1 3.94Å; F494-Y604 HydrophobicContact CG-CE1 4.11Å; F494-V605 HydrophobicContact CE1-CG2 4.36Å; F494-A608 HydrophobicContact CD1-CB 3.71Å; F494-A608 HydrophobicContact CE1-CB 4Å; F494-A608 HydrophobicContact CG-CB 4.15Å
495P85.1Confident89.3Confident13 Ų1334.1 Ų34.18%0.08417%0.174CC..  trans-53.8149.7167.6-24.634.3000111.6A497 V502 Y604 E607P495-A497 PolarHBondContact O-N 3.07Å; P495-V502 HydrophobicContact CB-CG1 4.12Å; P495-V502 HydrophobicContact CB-CG2 3.82Å; P495-Y604 HydrophobicContact CB-CD2 4.31Å; P495-Y604 HydrophobicContact CB-CE2 4.13Å; P495-Y604 HydrophobicContact CG-CD2 4.26Å; P495-Y604 HydrophobicContact CG-CE2 4.39Å; P495-Y604 VanDerWaalsContact O-CE2 3.29Å; P495-Y604 WeakPolarHBondContact O-CE2 3.47Å; P495-Y604 PolarHBondContact O-OH 3.34Å; P495-E607 HydrophobicContact CG-CB 3.76Å; P495-E607 HydrophobicContact CG-CG 4.38Å
496P87.6Confident89.3Confident88 Ų8835.6 Ų35.657%0.57118%0.181SC*.  trans-65.4107.5-177.6-2032.6000111.6F498 D499P496-F498 PolarHBondContact O-N 3.15Å; P496-D499 HydrophobicContact CB-CB 4.22Å; P496-D499 WeakPolarHBondContact O-CB 3.47Å; P496-D499 PolarHBondContact O-N 3.29Å
497A85.6Confident89.2Confident48 Ų4840 Ų4040%0.39721%0.205SC..THydrogen-bonded Turntrans-56.8-21.2-172.300000115.9P495 R503 Y604P495-A497 PolarHBondContact O-N 3.07Å; A497-R503 WeakPolarHBondContact O-CG 3.34Å; A497-Y604 HydrophobicContact CB-CE2 4.47Å
498F85.7Confident89Confident172 Ų17240 Ų4075%0.75421%0.205SC*.THydrogen-bonded Turntrans-96.1-4.8178.8-62.3-69.2000114P496P496-F498 PolarHBondContact O-N 3.15Å
499D87.9Confident88.6Confident63 Ų6340.7 Ų40.734%0.33721%0.208SC..  trans-61.9126.2174.1-175.5-44.7000109.7P496 R501 V502 R503P496-D499 HydrophobicContact CB-CB 4.22Å; P496-D499 WeakPolarHBondContact O-CB 3.47Å; P496-D499 PolarHBondContact O-N 3.29Å; D499-R501 PolarHBondContact O-N 3.41Å; D499-R501 WeakPolarHBondContact OD1-CA 3.19Å; D499-R501 WeakPolarHBondContact OD1-CB 3.38Å; D499-R501 PolarHBondContact OD1-N 3.25Å; D499-V502 HydrophobicContact CB-CB 4.03Å; D499-V502 HydrophobicContact CB-CG2 3.79Å; D499-V502 PolarHBondContact O-N 2.89Å; D499-R503 WeakPolarHBondContact O-CG 3.46Å; D499-R503 PolarHBondContact O-N 2.84Å
500P89.1Confident88.5Confident32 Ų3242.7 Ų42.721%0.20822%0.219CC..Hα-helixtrans-54.4-36.8178.3-26.635.3000113.5Y270 W294 R503 L504Y270-P500 HydrophobicContact CD1-CB 3.9Å; Y270-P500 HydrophobicContact CE1-CB 3.39Å; Y270-P500 HydrophobicContact CE1-CG 3.57Å; Y270-P500 HydrophobicContact CE2-CB 4.22Å; Y270-P500 HydrophobicContact CG-CB 4.45Å; Y270-P500 WeakPolarHBondContact OH-CG 3.24Å; W294-P500 HydrophobicContact CH2-CB 4.4Å; W294-P500 HydrophobicContact CZ3-CB 4.23Å; P500-R503 PolarHBondContact O-N 2.84Å; P500-L504 WeakPolarHBondContact O-CB 3.14Å; P500-L504 WeakPolarHBondContact O-CG 3.38Å; P500-L504 PolarHBondContact O-N 2.67Å
501R89.6Confident88.1Confident32 Ų3245.1 Ų45.112%0.12124%0.236CC..Hα-helixtrans-71.7-41.2-180-166.9170173.6-174-11.6111.7E81 E82 W294 F296 D499 L504 K505E81-R501 IonicContact OE2-NH2 3.62Å; E81-R501 PolarHBondContact OE2-NH2 2.85Å; E81-R501 VanDerWaalsContact OE2-NH2 3.12Å; E82-R501 IonicContact OE1-CZ 2.68Å; E82-R501 IonicContact OE1-NH1 3.89Å; E82-R501 PolarHBondContact OE1-NH1 3.2Å; E82-R501 IonicContact OE1-NH2 2.9Å; W294-R501 HydrophobicContact CD2-CG 4.27Å; W294-R501 HydrophobicContact CE3-CB 4.01Å; W294-R501 HydrophobicContact CE3-CG 3.97Å; W294-R501 HydrophobicContact CH2-CB 3.82Å; W294-R501 HydrophobicContact CH2-CG 4.49Å; W294-R501 HydrophobicContact CZ2-CB 4.45Å; W294-R501 HydrophobicContact CZ3-CB 3.59Å; W294-R501 HydrophobicContact CZ3-CG 4.09Å; F296-R501 HydrophobicContact CE1-CG 3.56Å; F296-R501 WeakPolarHBondContact CE1-O 3.49Å; F296-R501 HydrophobicContact CZ-CG 3.9Å; D499-R501 PolarHBondContact O-N 3.41Å; D499-R501 WeakPolarHBondContact OD1-CA 3.19Å; D499-R501 WeakPolarHBondContact OD1-CB 3.38Å; D499-R501 PolarHBondContact OD1-N 3.25Å; R501-L504 PolarHBondContact O-N 3.07Å; R501-K505 WeakPolarHBondContact O-CB 3.37Å; R501-K505 PolarHBondContact O-N 2.91Å
502V90.2Very high87.8Confident14 Ų1446.8 Ų46.89%0.08524%0.244CC..Hα-helixtrans-60.8-46.2173.3175.10000110.3P495 D499 K505 K506 W603 Y604P495-V502 HydrophobicContact CB-CG1 4.12Å; P495-V502 HydrophobicContact CB-CG2 3.82Å; D499-V502 HydrophobicContact CB-CB 4.03Å; D499-V502 HydrophobicContact CB-CG2 3.79Å; D499-V502 PolarHBondContact O-N 2.89Å; V502-K505 PolarHBondContact O-N 3.18Å; V502-K506 HydrophobicContact CG1-CD 4.46Å; V502-K506 WeakPolarHBondContact O-CG 3.42Å; V502-K506 PolarHBondContact O-N 3.16Å; V502-W603 HydrophobicContact CG1-CZ3 4.3Å; V502-Y604 HydrophobicContact CG1-CD2 4.01Å; V502-Y604 HydrophobicContact CG1-CE2 4.11Å
503R91.3Very high87.5Confident105 Ų10546.5 Ų46.540%0.39624%0.244SC..Hα-helixtrans-60.9-49.9177.6-70.1178.361-177.7-1.7112A497 D499 P500 K505 K506 D507A497-R503 WeakPolarHBondContact O-CG 3.34Å; D499-R503 WeakPolarHBondContact O-CG 3.46Å; D499-R503 PolarHBondContact O-N 2.84Å; P500-R503 PolarHBondContact O-N 2.84Å; R503-K505 VanDerWaalsContact C-N 3.35Å; R503-K505 PolarHBondContact O-N 2.9Å; R503-K506 PolarHBondContact O-N 2.93Å; R503-D507 PolarHBondContact O-N 3.06Å
504L91.8Very high87.2Confident22 Ų2254.5 Ų54.512%0.11527%0.273CS..Hα-helixtrans-66.6-32.4-179.1-70171.2000113.1A188 Y270 W294 F296 P500 R501 H508A188-L504 HydrophobicContact CB-CD1 3.91Å; A188-L504 HydrophobicContact CB-CD2 3.62Å; A188-L504 HydrophobicContact CB-CG 4.37Å; Y270-L504 HydrophobicContact CG-CD1 4.34Å; W294-L504 HydrophobicContact CE3-CD1 4.22Å; W294-L504 HydrophobicContact CZ3-CD1 4.2Å; F296-L504 HydrophobicContact CE1-CB 4.39Å; F296-L504 HydrophobicContact CE2-CB 3.72Å; F296-L504 HydrophobicContact CZ-CB 3.51Å; P500-L504 WeakPolarHBondContact O-CB 3.14Å; P500-L504 WeakPolarHBondContact O-CG 3.38Å; P500-L504 PolarHBondContact O-N 2.67Å; R501-L504 PolarHBondContact O-N 3.07Å; L504-H508 VanDerWaalsContact O-CB 3.25Å; L504-H508 WeakPolarHBondContact O-CB 3.39Å; L504-H508 PolarHBondContact O-N 2.99Å
505K90.4Very high86.6Confident6 Ų653.5 Ų53.53%0.02628%0.277CS..Hα-helixtrans-63.5-46169.9178.665.5176.2-164.90111.6E77 E81 F296 R501 V502 R503 H508 L509 W603E77-K505 WeakPolarHBondContact OE1-CE 3.36Å; E77-K505 IonicContact OE1-NZ 3.29Å; E77-K505 PolarHBondContact OE1-NZ 3.15Å; E81-K505 IonicContact OE1-NZ 3.34Å; E81-K505 PolarHBondContact OE1-NZ 3.34Å; F296-K505 HydrophobicContact CB-CD 4.16Å; F296-K505 HydrophobicContact CD1-CB 3.7Å; F296-K505 HydrophobicContact CD1-CD 3.82Å; F296-K505 HydrophobicContact CD1-CG 4.3Å; F296-K505 HydrophobicContact CE1-CB 3.79Å; F296-K505 HydrophobicContact CG-CD 4.42Å; F296-K505 PolarHBondContact O-NZ 2.72Å; R501-K505 WeakPolarHBondContact O-CB 3.37Å; R501-K505 PolarHBondContact O-N 2.91Å; V502-K505 PolarHBondContact O-N 3.18Å; R503-K505 VanDerWaalsContact C-N 3.35Å; R503-K505 PolarHBondContact O-N 2.9Å; K505-H508 WeakPolarHBondContact O-CB 3.5Å; K505-H508 PolarHBondContact O-N 3.43Å; K505-L509 HydrophobicContact CD-CD1 4.45Å; K505-L509 HydrophobicContact CD-CG 4.4Å; K505-L509 HydrophobicContact CG-CD1 4.44Å; K505-L509 WeakPolarHBondContact O-CG 3.27Å; K505-L509 PolarHBondContact O-N 3.47Å; K505-W603 HydrophobicContact CB-CH2 4.08Å; K505-W603 HydrophobicContact CB-CZ3 4.19Å; K505-W603 HydrophobicContact CD-CZ2 4.42Å; K505-W603 HydrophobicContact CG-CD2 4.04Å; K505-W603 HydrophobicContact CG-CE3 3.99Å; K505-W603 HydrophobicContact CG-CH2 3.55Å; K505-W603 HydrophobicContact CG-CZ2 3.56Å; K505-W603 HydrophobicContact CG-CZ3 3.75Å
506K90Very high85.6Confident36 Ų3657 Ų5716%0.15729%0.29CS..Hα-helixtrans-60.3-46.5175.7-67.3-175.968.3157.50111.2V502 R503 H508 L509 N510 G600 E601 W603 Y604V502-K506 HydrophobicContact CG1-CD 4.46Å; V502-K506 WeakPolarHBondContact O-CG 3.42Å; V502-K506 PolarHBondContact O-N 3.16Å; R503-K506 PolarHBondContact O-N 2.93Å; K506-H508 VanDerWaalsContact C-N 3.34Å; K506-H508 PolarHBondContact O-N 2.66Å; K506-L509 PolarHBondContact O-N 3.11Å; K506-N510 WeakPolarHBondContact O-CB 3.46Å; K506-N510 PolarHBondContact O-N 2.9Å; K506-N510 PolarHBondContact O-ND2 3.32Å; K506-N510 VanDerWaalsContact O-ND2 3.14Å; K506-G600 WeakPolarHBondContact CE-O 3.49Å; K506-G600 WeakPolarHBondContact CG-O 3.35Å; K506-E601 WeakPolarHBondContact CE-OE2 3.37Å; K506-E601 IonicContact NZ-OE1 3.75Å; K506-E601 PolarHBondContact NZ-OE1 3.47Å; K506-E601 IonicContact NZ-OE2 2.68Å; K506-E601 PolarHBondContact NZ-OE2 2.92Å; K506-W603 HydrophobicContact CG-CE3 4.03Å; K506-W603 HydrophobicContact CG-CZ3 4.02Å; K506-Y604 HydrophobicContact CD-CD2 4.05Å; K506-Y604 HydrophobicContact CD-CG 4.12Å
507D89.9Confident84.2Confident94 Ų9458.1 Ų58.150%0.50329%0.288SS..Hα-helixtrans-65.2-35.7178-71.9-32.1000112.7R503 S511R503-D507 PolarHBondContact O-N 3.06Å; D507-S511 PolarHBondContact O-N 2.98Å
508H88Confident82.5Confident0 Ų059.1 Ų59.10%029%0.292CS..Hα-helixtrans-62.3-54.9172.9-177.552.8000111.8T265 D266 F296 R331 L504 K505 K506 N510 S511 L512T265-H508 PolarHBondContact O-CE1 2.76Å; D266-H508 WeakPolarHBondContact CA-CE1 3.41Å; D266-H508 VanDerWaalsContact CG-CE1 3.48Å; D266-H508 PolarHBondContact N-CE1 3.37Å; D266-H508 VanDerWaalsContact N-CE1 3.28Å; D266-H508 IonicContact OD1-CE1 3.9Å; D266-H508 PolarHBondContact OD1-CE1 3.32Å; D266-H508 IonicContact OD1-NE2 3.95Å; D266-H508 PolarHBondContact OD1-NE2 2.84Å; F296-H508 HydrophobicContact CB-CB 4.12Å; F296-H508 WeakPolarHBondContact CB-CD2 3.2Å; F296-H508 PolarHBondContact O-CD2 2.87Å; F296-H508 VanDerWaalsContact O-CD2 3.26Å; F296-H508 PolarHBondContact O-NE2 3.4Å; R331-H508 PolarHBondContact NH2-NE2 3.03Å; L504-H508 VanDerWaalsContact O-CB 3.25Å; L504-H508 WeakPolarHBondContact O-CB 3.39Å; L504-H508 PolarHBondContact O-N 2.99Å; K505-H508 WeakPolarHBondContact O-CB 3.5Å; K505-H508 PolarHBondContact O-N 3.43Å; K506-H508 VanDerWaalsContact C-N 3.34Å; K506-H508 PolarHBondContact O-N 2.66Å; H508-N510 VanDerWaalsContact C-N 3.3Å; H508-N510 PolarHBondContact O-N 2.89Å; H508-S511 WeakPolarHBondContact O-CA 3.49Å; H508-S511 WeakPolarHBondContact O-CB 3.47Å; H508-S511 PolarHBondContact O-N 2.83Å; H508-S511 PolarHBondContact O-OG 2.84Å; H508-L512 PolarHBondContact O-N 2.92Å; H508-L512 VanDerWaalsContact O-N 3.12Å
509L86.5Confident81Confident15 Ų1555 Ų558%0.07928%0.281CS..Hα-helixtrans-57.5-42.6177.8-68.4176.9000111.9K505 K506 S511 L512 T513 W603K505-L509 HydrophobicContact CD-CD1 4.45Å; K505-L509 HydrophobicContact CD-CG 4.4Å; K505-L509 HydrophobicContact CG-CD1 4.44Å; K505-L509 WeakPolarHBondContact O-CG 3.27Å; K505-L509 PolarHBondContact O-N 3.47Å; K506-L509 PolarHBondContact O-N 3.11Å; L509-S511 PolarHBondContact O-N 2.81Å; L509-L512 HydrophobicContact CD2-CD1 4.17Å; L509-L512 WeakPolarHBondContact O-CB 3.44Å; L509-L512 PolarHBondContact O-N 3.31Å; L509-L512 VanDerWaalsContact O-N 3.13Å; L509-T513 PolarHBondContact O-N 3.44Å; L509-W603 HydrophobicContact CD1-CB 3.32Å; L509-W603 HydrophobicContact CD1-CD2 3.88Å; L509-W603 HydrophobicContact CD1-CE3 4.36Å; L509-W603 HydrophobicContact CD1-CG 3.38Å
510N89.7Confident78.9Confident42 Ų4254.5 Ų54.523%0.22528%0.283CS..Hα-helixtrans-58.7-35.1173.9-71.4-21.1000112.4K506 H508 R514 G600K506-N510 WeakPolarHBondContact O-CB 3.46Å; K506-N510 PolarHBondContact O-N 2.9Å; K506-N510 PolarHBondContact O-ND2 3.32Å; K506-N510 VanDerWaalsContact O-ND2 3.14Å; H508-N510 VanDerWaalsContact C-N 3.3Å; H508-N510 PolarHBondContact O-N 2.89Å; N510-R514 WeakPolarHBondContact O-CD 3.46Å; N510-R514 WeakPolarHBondContact O-CG 3.33Å; N510-R514 PolarHBondContact O-N 3.26Å; N510-R514 VanDerWaalsContact O-N 3.17Å; N510-G600 PolarHBondContact OD1-N 2.91Å
511S86.2Confident76.6Confident52 Ų5258 Ų5836%0.36429%0.294SS..Hα-helixtrans-70.7-36.1175.980.90000113D507 H508 L509 S515D507-S511 PolarHBondContact O-N 2.98Å; H508-S511 WeakPolarHBondContact O-CA 3.49Å; H508-S511 WeakPolarHBondContact O-CB 3.47Å; H508-S511 PolarHBondContact O-N 2.83Å; H508-S511 PolarHBondContact O-OG 2.84Å; L509-S511 PolarHBondContact O-N 2.81Å; S511-S515 PolarHBondContact O-N 2.9Å; S511-S515 VanDerWaalsContact O-N 3.07Å
512L80.8Confident74.3Confident36 Ų3662.1 Ų62.119%0.18832%0.319CS..Hα-helixtrans-67.9-44.3175.3-58.6172000111.8H508 L509 R514 S515 K516H508-L512 PolarHBondContact O-N 2.92Å; H508-L512 VanDerWaalsContact O-N 3.12Å; L509-L512 HydrophobicContact CD2-CD1 4.17Å; L509-L512 WeakPolarHBondContact O-CB 3.44Å; L509-L512 PolarHBondContact O-N 3.31Å; L509-L512 VanDerWaalsContact O-N 3.13Å; L512-R514 VanDerWaalsContact C-N 3.33Å; L512-R514 PolarHBondContact O-N 3.2Å; L512-S515 PolarHBondContact O-N 3.11Å; L512-S515 PolarHBondContact O-OG 2.81Å; L512-K516 PolarHBondContact O-N 3.33Å
513T80.1Confident72.3Confident17 Ų1765.5 Ų65.510%0.10434%0.339CS..Hα-helixtrans-64.9-38.3178.1-67.40000111.3L509 K516 Q517 S597L509-T513 PolarHBondContact O-N 3.44Å; T513-K516 PolarHBondContact O-N 2.92Å; T513-Q517 HydrophobicContact CG2-CG 4.46Å; T513-Q517 WeakPolarHBondContact O-CB 3.32Å; T513-Q517 VanDerWaalsContact O-CG 3.25Å; T513-Q517 WeakPolarHBondContact O-CG 3.36Å; T513-Q517 PolarHBondContact O-N 3.39Å; T513-S597 WeakPolarHBondContact CA-OG 3.33Å; T513-S597 WeakPolarHBondContact OG1-CB 3.5Å; T513-S597 PolarHBondContact OG1-O 2.85Å; T513-S597 PolarHBondContact OG1-OG 3.43Å
514R79.6Confident70.1Confident174 Ų17465.7 Ų65.766%0.65735%0.345SS*.Hα-helixtrans-63.7-40.1172.7-71.4168.5-170.6173.75.5113.1N510 L512 Q517 S518N510-R514 WeakPolarHBondContact O-CD 3.46Å; N510-R514 WeakPolarHBondContact O-CG 3.33Å; N510-R514 PolarHBondContact O-N 3.26Å; N510-R514 VanDerWaalsContact O-N 3.17Å; L512-R514 VanDerWaalsContact C-N 3.33Å; L512-R514 PolarHBondContact O-N 3.2Å; R514-Q517 PolarHBondContact O-N 3.28Å; R514-S518 PolarHBondContact O-N 2.78Å; R514-S518 VanDerWaalsContact O-N 3.15Å
515S72.4Confident67.9Low63 Ų6372.1 Ų72.144%0.44137%0.367SS..Hα-helixtrans-72.2-33.6178.7710000112.6S511 L512 S518 V519S511-S515 PolarHBondContact O-N 2.9Å; S511-S515 VanDerWaalsContact O-N 3.07Å; L512-S515 PolarHBondContact O-N 3.11Å; L512-S515 PolarHBondContact O-OG 2.81Å; S515-S518 PolarHBondContact O-OG 3.01Å; S515-S518 VanDerWaalsContact O-OG 3.06Å; S515-V519 WeakPolarHBondContact O-CG2 3.47Å; S515-V519 PolarHBondContact O-N 3.13Å
516K65.3Low65.8Low85 Ų8574.8 Ų74.837%0.3739%0.39SS..Hα-helixtrans-67.8-39.2169.4-76.8-173.2174.9-171.40112.5L512 T513 V519 S520 S595L512-K516 PolarHBondContact O-N 3.33Å; T513-K516 PolarHBondContact O-N 2.92Å; K516-V519 PolarHBondContact O-N 2.87Å; K516-S520 WeakPolarHBondContact O-CB 3.41Å; K516-S520 PolarHBondContact O-N 3.29Å; K516-S595 PolarHBondContact NZ-O 3.09Å; K516-S595 VanDerWaalsContact NZ-O 3.11Å
517Q58.4Low63.7Low112 Ų11279 Ų7952%0.52341%0.409SS..Hα-helixtrans-66-36.5178.9-78.5172.1-9.500113.5T513 R514 S520 F521T513-Q517 HydrophobicContact CG2-CG 4.46Å; T513-Q517 WeakPolarHBondContact O-CB 3.32Å; T513-Q517 VanDerWaalsContact O-CG 3.25Å; T513-Q517 WeakPolarHBondContact O-CG 3.36Å; T513-Q517 PolarHBondContact O-N 3.39Å; R514-Q517 PolarHBondContact O-N 3.28Å; Q517-S520 WeakPolarHBondContact CA-OG 3.44Å; Q517-S520 PolarHBondContact O-N 2.83Å; Q517-S520 PolarHBondContact O-OG 3.47Å; Q517-S520 VanDerWaalsContact O-OG 3.06Å; Q517-F521 WeakPolarHBondContact O-CB 3.48Å; Q517-F521 PolarHBondContact O-N 2.82Å
518S50.2Low61.7Low69 Ų6978.7 Ų78.748%0.48341%0.406SS..Hα-helixtrans-68.5-36.8175.464.50000112R514 S515 L522R514-S518 PolarHBondContact O-N 2.78Å; R514-S518 VanDerWaalsContact O-N 3.15Å; S515-S518 PolarHBondContact O-OG 3.01Å; S515-S518 VanDerWaalsContact O-OG 3.06Å; S518-L522 WeakPolarHBondContact O-CG 3.34Å; S518-L522 PolarHBondContact O-N 2.88Å
519V53.3Low59.9Low86 Ų8680.6 Ų80.652%0.52142%0.423SS..Hα-helixtrans-68.3-43.8171.7175.70000111.2S515 K516 F521 L522 T523S515-V519 WeakPolarHBondContact O-CG2 3.47Å; S515-V519 PolarHBondContact O-N 3.13Å; K516-V519 PolarHBondContact O-N 2.87Å; V519-F521 VanDerWaalsContact C-N 3.34Å; V519-F521 PolarHBondContact O-N 3.36Å; V519-L522 WeakPolarHBondContact O-CB 3.43Å; V519-L522 PolarHBondContact O-N 2.84Å; V519-L522 VanDerWaalsContact O-N 3.14Å; V519-T523 HydrophobicContact CG1-CG2 4.47Å; V519-T523 PolarHBondContact O-N 3.48Å; V519-T523 PolarHBondContact O-OG1 3.41Å
520S44Very low58.3Low53 Ų5386 Ų8637%0.37145%0.446SS..Hα-helixtrans-62.2-42.8-179.975.20000111.1K516 Q517 L522 T523 E524K516-S520 WeakPolarHBondContact O-CB 3.41Å; K516-S520 PolarHBondContact O-N 3.29Å; Q517-S520 WeakPolarHBondContact CA-OG 3.44Å; Q517-S520 PolarHBondContact O-N 2.83Å; Q517-S520 PolarHBondContact O-OG 3.47Å; Q517-S520 VanDerWaalsContact O-OG 3.06Å; S520-L522 VanDerWaalsContact C-N 3.32Å; S520-L522 PolarHBondContact O-N 3.19Å; S520-T523 WeakPolarHBondContact CA-OG1 3.45Å; S520-T523 CarbonylContact O-C 3.51Å; S520-T523 PolarHBondContact O-N 3.3Å; S520-T523 VanDerWaalsContact O-N 3.15Å; S520-T523 PolarHBondContact O-OG1 3.13Å; S520-E524 WeakPolarHBondContact O-CB 3.33Å; S520-E524 WeakPolarHBondContact O-CG 3.48Å; S520-E524 PolarHBondContact O-N 3.3Å
521F39.9Very low56.2Low104 Ų10487.5 Ų87.546%0.45645%0.453SS..Hα-helixtrans-65.1-32.1175.7-172-119.8000113.2Q517 V519 R525Q517-F521 WeakPolarHBondContact O-CB 3.48Å; Q517-F521 PolarHBondContact O-N 2.82Å; V519-F521 VanDerWaalsContact C-N 3.34Å; V519-F521 PolarHBondContact O-N 3.36Å; F521-R525 VanDerWaalsContact O-CB 3.29Å; F521-R525 WeakPolarHBondContact O-CB 3.29Å; F521-R525 VanDerWaalsContact O-CG 3.3Å; F521-R525 WeakPolarHBondContact O-CG 3.4Å; F521-R525 PolarHBondContact O-N 2.57Å
522L42.2Very low54.5Low120 Ų12089.2 Ų89.263%0.62846%0.457SS*.Hα-helixtrans-69.9-42.1170.8-75.8166.6000111.6S518 V519 S520 R525 A526S518-L522 WeakPolarHBondContact O-CG 3.34Å; S518-L522 PolarHBondContact O-N 2.88Å; V519-L522 WeakPolarHBondContact O-CB 3.43Å; V519-L522 PolarHBondContact O-N 2.84Å; V519-L522 VanDerWaalsContact O-N 3.14Å; S520-L522 VanDerWaalsContact C-N 3.32Å; S520-L522 PolarHBondContact O-N 3.19Å; L522-R525 PolarHBondContact O-N 3.19Å; L522-A526 WeakPolarHBondContact O-CB 3.43Å; L522-A526 PolarHBondContact O-N 2.86Å
523T48.3Very low53Low85 Ų8596.8 Ų96.852%0.52148%0.483SS..Hα-helixtrans-70.7-34.1175.755.50000112.9V519 S520 A526 F527V519-T523 HydrophobicContact CG1-CG2 4.47Å; V519-T523 PolarHBondContact O-N 3.48Å; V519-T523 PolarHBondContact O-OG1 3.41Å; S520-T523 WeakPolarHBondContact CA-OG1 3.45Å; S520-T523 CarbonylContact O-C 3.51Å; S520-T523 PolarHBondContact O-N 3.3Å; S520-T523 VanDerWaalsContact O-N 3.15Å; S520-T523 PolarHBondContact O-OG1 3.13Å; T523-A526 PolarHBondContact O-N 3.44Å; T523-F527 WeakPolarHBondContact O-CB 3.12Å; T523-F527 PolarHBondContact O-N 2.97Å
524E44.8Very low51.5Low108 Ų108102.3 Ų102.351%0.50551%0.506SS..Hα-helixtrans-67.1-43.9171.1-79.5-171.3122.900110.5S520 A526 F527 I528S520-E524 WeakPolarHBondContact O-CB 3.33Å; S520-E524 WeakPolarHBondContact O-CG 3.48Å; S520-E524 PolarHBondContact O-N 3.3Å; E524-A526 VanDerWaalsContact C-N 3.31Å; E524-A526 PolarHBondContact O-N 2.95Å; E524-F527 PolarHBondContact O-N 2.85Å; E524-I528 HydrophobicContact CB-CD1 4.43Å; E524-I528 WeakPolarHBondContact O-CB 3.5Å; E524-I528 WeakPolarHBondContact O-CD1 3.26Å; E524-I528 WeakPolarHBondContact O-CG1 3.11Å; E524-I528 PolarHBondContact O-N 3.07Å
525R45.8Very low49.9Very low157 Ų15798.1 Ų98.159%0.59250%0.496SS*.Hα-helixtrans-63.6-37174.1-79.2177.8160.8-167.1-4.5112.1F521 L522 A529F521-R525 VanDerWaalsContact O-CB 3.29Å; F521-R525 WeakPolarHBondContact O-CB 3.29Å; F521-R525 VanDerWaalsContact O-CG 3.3Å; F521-R525 WeakPolarHBondContact O-CG 3.4Å; F521-R525 PolarHBondContact O-N 2.57Å; L522-R525 PolarHBondContact O-N 3.19Å; R525-A529 WeakPolarHBondContact O-CB 3.4Å; R525-A529 PolarHBondContact O-N 2.85Å
526A45.9Very low48.7Very low62 Ų6298.4 Ų98.451%0.51249%0.492SS..Hα-helixtrans-68.4-40.7172.800000112.4L522 T523 E524 A529 F530L522-A526 WeakPolarHBondContact O-CB 3.43Å; L522-A526 PolarHBondContact O-N 2.86Å; T523-A526 PolarHBondContact O-N 3.44Å; E524-A526 VanDerWaalsContact C-N 3.31Å; E524-A526 PolarHBondContact O-N 2.95Å; A526-A529 PolarHBondContact O-N 3.13Å; A526-F530 VanDerWaalsContact O-CB 3.26Å; A526-F530 WeakPolarHBondContact O-CB 3.42Å; A526-F530 PolarHBondContact O-N 3.36Å
527F46.3Very low47.6Very low125 Ų125101.1 Ų101.155%0.54850%0.5SS..Hα-helixtrans-72.7-41.4179.9-175.5-103.6000111.8T523 E524 F530 L531T523-F527 WeakPolarHBondContact O-CB 3.12Å; T523-F527 PolarHBondContact O-N 2.97Å; E524-F527 PolarHBondContact O-N 2.85Å; F527-F530 CarbonylContact O-C 3.54Å; F527-F530 WeakPolarHBondContact O-CB 3.38Å; F527-F530 PolarHBondContact O-N 3.19Å; F527-L531 HydrophobicContact CE1-CD1 4.2Å; F527-L531 HydrophobicContact CZ-CD1 4.11Å; F527-L531 VanDerWaalsContact O-CB 3.29Å; F527-L531 WeakPolarHBondContact O-CB 3.31Å; F527-L531 PolarHBondContact O-N 3.3Å
528I49Very low46.6Very low87 Ų8798.6 Ų98.645%0.44650%0.498SS..Hα-helixtrans-65.1-42.3171.4-68.5165.5000109.7E524 F530 L531 I532E524-I528 HydrophobicContact CB-CD1 4.43Å; E524-I528 WeakPolarHBondContact O-CB 3.5Å; E524-I528 WeakPolarHBondContact O-CD1 3.26Å; E524-I528 WeakPolarHBondContact O-CG1 3.11Å; E524-I528 PolarHBondContact O-N 3.07Å; I528-F530 VanDerWaalsContact C-N 3.3Å; I528-F530 PolarHBondContact O-N 3.44Å; I528-L531 PolarHBondContact O-N 3.22Å; I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.24Å; I528-I532 VanDerWaalsContact O-CB 3.26Å; I528-I532 WeakPolarHBondContact O-CB 3.18Å; I528-I532 WeakPolarHBondContact O-CG1 3.18Å; I528-I532 PolarHBondContact O-N 2.99Å
529A48.8Very low46.2Very low41 Ų4199.4 Ų99.434%0.33950%0.504SS..Hα-helixtrans-63.2-36.3172.400000112.3R525 A526 R533R525-A529 WeakPolarHBondContact O-CB 3.4Å; R525-A529 PolarHBondContact O-N 2.85Å; A526-A529 PolarHBondContact O-N 3.13Å; A529-R533 VanDerWaalsContact O-CB 3.27Å; A529-R533 WeakPolarHBondContact O-CB 3.21Å; A529-R533 WeakPolarHBondContact O-CD 3.27Å; A529-R533 WeakPolarHBondContact O-CG 3.26Å; A529-R533 PolarHBondContact O-N 2.9Å
530F54.2Low45.6Very low128 Ų12899.2 Ų99.256%0.56150%0.503SS*.Hα-helixtrans-68.2-42.8173178.3-92.6000112A526 F527 I528 R533 F534A526-F530 VanDerWaalsContact O-CB 3.26Å; A526-F530 WeakPolarHBondContact O-CB 3.42Å; A526-F530 PolarHBondContact O-N 3.36Å; F527-F530 CarbonylContact O-C 3.54Å; F527-F530 WeakPolarHBondContact O-CB 3.38Å; F527-F530 PolarHBondContact O-N 3.19Å; I528-F530 VanDerWaalsContact C-N 3.3Å; I528-F530 PolarHBondContact O-N 3.44Å; F530-R533 CarbonylContact O-C 3.48Å; F530-R533 PolarHBondContact O-N 2.98Å; F530-F534 VanDerWaalsContact O-CB 3.27Å; F530-F534 WeakPolarHBondContact O-CB 3.13Å; F530-F534 PolarHBondContact O-N 2.92Å
531L45.1Very low45.4Very low73 Ų73100.3 Ų100.338%0.38250%0.502SS..Hα-helixtrans-68.5-42.3179.6-150.783.1000111F527 I528 F534 I535F527-L531 HydrophobicContact CE1-CD1 4.2Å; F527-L531 HydrophobicContact CZ-CD1 4.11Å; F527-L531 VanDerWaalsContact O-CB 3.29Å; F527-L531 WeakPolarHBondContact O-CB 3.31Å; F527-L531 PolarHBondContact O-N 3.3Å; I528-L531 PolarHBondContact O-N 3.22Å; L531-F534 WeakPolarHBondContact O-CB 3.42Å; L531-F534 PolarHBondContact O-N 2.88Å; L531-I535 HydrophobicContact CD2-CD1 4.16Å; L531-I535 HydrophobicContact CG-CD1 4.06Å; L531-I535 WeakPolarHBondContact O-CB 3.32Å; L531-I535 WeakPolarHBondContact O-CD1 3.4Å; L531-I535 WeakPolarHBondContact O-CG1 3.21Å; L531-I535 PolarHBondContact O-N 2.87Å
532I49.2Very low45.3Very low88 Ų88102.5 Ų102.545%0.45152%0.517SS..Hα-helixtrans-61.7-46.2171.9-71.4170.4000109.8I528 F534 I535 I536I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.24Å; I528-I532 VanDerWaalsContact O-CB 3.26Å; I528-I532 WeakPolarHBondContact O-CB 3.18Å; I528-I532 WeakPolarHBondContact O-CG1 3.18Å; I528-I532 PolarHBondContact O-N 2.99Å; I532-F534 VanDerWaalsContact C-N 3.3Å; I532-F534 PolarHBondContact O-N 3.4Å; I532-I535 PolarHBondContact O-N 2.74Å; I532-I536 HydrophobicContact CG2-CD1 3.58Å; I532-I536 HydrophobicContact CG2-CG1 4.33Å; I532-I536 VanDerWaalsContact O-CB 3.28Å; I532-I536 WeakPolarHBondContact O-CB 3.39Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.24Å
533R50.3Low44.8Very low195 Ų195104.3 Ų104.374%0.73653%0.525SS*.Hα-helixtrans-60.3-38.6173.5-77168.8178.2-175.8-0.4112.2A529 F530 R537A529-R533 VanDerWaalsContact O-CB 3.27Å; A529-R533 WeakPolarHBondContact O-CB 3.21Å; A529-R533 WeakPolarHBondContact O-CD 3.27Å; A529-R533 WeakPolarHBondContact O-CG 3.26Å; A529-R533 PolarHBondContact O-N 2.9Å; F530-R533 CarbonylContact O-C 3.48Å; F530-R533 PolarHBondContact O-N 2.98Å; R533-R537 VanDerWaalsContact O-CB 3.31Å; R533-R537 WeakPolarHBondContact O-CB 3.28Å; R533-R537 PolarHBondContact O-N 2.71Å; R533-R537 VanDerWaalsContact O-N 3.13Å
534F48.7Very low44.3Very low134 Ų134105.5 Ų105.559%0.58853%0.534SS*.Hα-helixtrans-69.1-47.7178.8-175.1-94.5000111.9F530 L531 I532 R537 A538F530-F534 VanDerWaalsContact O-CB 3.27Å; F530-F534 WeakPolarHBondContact O-CB 3.13Å; F530-F534 PolarHBondContact O-N 2.92Å; L531-F534 WeakPolarHBondContact O-CB 3.42Å; L531-F534 PolarHBondContact O-N 2.88Å; I532-F534 VanDerWaalsContact C-N 3.3Å; I532-F534 PolarHBondContact O-N 3.4Å; F534-R537 PolarHBondContact O-N 3.48Å; F534-A538 PolarHBondContact O-N 2.79Å
535I45.1Very low43.8Very low86 Ų86108.2 Ų108.244%0.44155%0.552SS.*Hα-helixtrans-63.8-48177.7-68.6164000110.4L531 I532 R537 A538 S539L531-I535 HydrophobicContact CD2-CD1 4.16Å; L531-I535 HydrophobicContact CG-CD1 4.06Å; L531-I535 WeakPolarHBondContact O-CB 3.32Å; L531-I535 WeakPolarHBondContact O-CD1 3.4Å; L531-I535 WeakPolarHBondContact O-CG1 3.21Å; L531-I535 PolarHBondContact O-N 2.87Å; I532-I535 PolarHBondContact O-N 2.74Å; I535-R537 PolarHBondContact O-N 2.92Å; I535-A538 PolarHBondContact O-N 3.42Å; I535-S539 PolarHBondContact O-N 2.82Å; I535-S539 PolarHBondContact O-OG 3.22Å; I535-S539 VanDerWaalsContact O-OG 3.12Å
536I47.1Very low43Very low69 Ų69111.6 Ų111.635%0.35457%0.565SS.*Hα-helixtrans-58.2-34.7175.6-70.6172000111.2I532 V540I532-I536 HydrophobicContact CG2-CD1 3.58Å; I532-I536 HydrophobicContact CG2-CG1 4.33Å; I532-I536 VanDerWaalsContact O-CB 3.28Å; I532-I536 WeakPolarHBondContact O-CB 3.39Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.24Å; I536-V540 VanDerWaalsContact O-CG2 3.32Å; I536-V540 WeakPolarHBondContact O-CG2 3.25Å
537R42.8Very low42.2Very low141 Ų141117.1 Ų117.153%0.53258%0.584SS.*Hα-helixtrans-75.6-30176.9-148.8169.4-156.5170.54.2113.1R533 F534 I535 L563R533-R537 VanDerWaalsContact O-CB 3.31Å; R533-R537 WeakPolarHBondContact O-CB 3.28Å; R533-R537 PolarHBondContact O-N 2.71Å; R533-R537 VanDerWaalsContact O-N 3.13Å; F534-R537 PolarHBondContact O-N 3.48Å; I535-R537 PolarHBondContact O-N 2.92Å; R537-L563 VanDerWaalsContact CZ-O 3.31Å; R537-L563 PolarHBondContact NE-O 3.02Å; R537-L563 PolarHBondContact NH2-O 3.29Å
538A38.5Very low41.3Very low59 Ų59115 Ų11549%0.48859%0.591SS.*Hα-helixtrans-76.3-39.4175.600000113F534 I535 V540F534-A538 PolarHBondContact O-N 2.79Å; I535-A538 PolarHBondContact O-N 3.42Å; A538-V540 PolarHBondContact O-N 2.99Å; A538-V540 VanDerWaalsContact O-N 3.15Å
539S41.1Very low40.3Very low86 Ų86122 Ų12260%0.60161%0.611SS**THydrogen-bonded Turntrans-70.5-6-175.7-60.90000115.4I535I535-S539 PolarHBondContact O-N 2.82Å; I535-S539 PolarHBondContact O-OG 3.22Å; I535-S539 VanDerWaalsContact O-OG 3.12Å
540V40.7Very low39.4Very low83 Ų83127.3 Ų127.350%0.50363%0.633SS.*THydrogen-bonded Turntrans-96.3-15.5-174.3172.20000113.4I536 A538I536-V540 VanDerWaalsContact O-CG2 3.32Å; I536-V540 WeakPolarHBondContact O-CG2 3.25Å; A538-V540 PolarHBondContact O-N 2.99Å; A538-V540 VanDerWaalsContact O-N 3.15Å
541E39.7Very low38.3Very low75 Ų75127.4 Ų127.435%0.3564%0.644SS.*SBendtrans-100.1-6.2-173.2-70.7-167.9-175.600116.1T564 K566E541-T564 HydrophobicContact CG-CG2 4.37Å; E541-K566 WeakPolarHBondContact OE2-CE 3.22Å; E541-K566 WeakPolarHBondContact OE2-CG 3.3Å; E541-K566 IonicContact OE2-NZ 3.83Å
542I36.8Very low37.6Very low151 Ų151133.2 Ų133.277%0.77467%0.669SS**  trans-141.392.6-169.4-46.7179.9000114.3
543I32.4Very low36.7Very low157 Ų157132.6 Ų132.681%0.80569%0.685SS**  trans-148145.5162.2-65.3-174.6000107.4
544P39.1Very low35.9Very low110 Ų110127.8 Ų127.871%0.71469%0.687SS**  cis-117.8162.7-8.536.8-24.5000113.7
545L33.5Very low35.2Very low166 Ų166128 Ų12887%0.86970%0.699SS**  trans-164.7149.3132.2-110.7166.7000112.5
546R28.1Very low34.5Very low228 Ų228131 Ų13186%0.8672%0.715SS**  trans-57.5136.9-169.9-60.1164.5174173.5-4.4114.4
547L29.4Very low33.7Very low177 Ų177135 Ų13593%0.92773%0.732SS**  -166.3142.9119-104.3157.9000109.8
548A27Very low33.2Very low82 Ų82135.2 Ų135.268%0.67874%0.744SS**  trans-103.9166.8178.400000111.1
549W29.4Very low32.9Very low233 Ų233138.4 Ų138.488%0.88375%0.751SS**  trans146.9114.9146.2-90.194.7000111.3
550L28.3Very low32.4Very low152 Ų152142.7 Ų142.780%0.79676%0.759SS**  trans58.1139.6174.3-93.675.8000116
551V32.4Very low32Very low131 Ų131144 Ų14479%0.79477%0.767SS**  cis-139.515618.3175.30000109.7
552E29.2Very low31.6Very low194 Ų194142.5 Ų142.591%0.90777%0.772SS**  trans-87.7140.3175-60.9171.9113.900112.6
553G30.4Very low31.4Very low76 Ų76141.2 Ų141.278%0.78477%0.766SS**  trans165.8104.8171.300000117
554A33.6Very low31.4Very low94 Ų94136.2 Ų136.278%0.77774%0.743SS**  trans58.897.6155.200000121.2
555T33.6Very low31.1Very low137 Ų137137 Ų13784%0.8475%0.746SS**  90.7124.6126.8-49.70000120.4
556L31.3Very low31Very low149 Ų149136.9 Ų136.978%0.7874%0.738SS**  trans-89.2-176.6173.3-62.696.5000110.7
557Q30.9Very low31.2Very low153 Ų153138.1 Ų138.172%0.71574%0.743SS**  cis-169179.330.1-152.6170.531.100112.1
558L31.8Very low31.2Very low147 Ų147134.9 Ų134.977%0.7774%0.735SS**  trans85.2115175.3-55.7164.6000115.2
559I33Very low31.3Very low125 Ų125139.4 Ų139.464%0.64175%0.747SS**  cis72.5116.332.8-48.8169.5000110.2
560K29.2Very low31.4Very low176 Ų176140 Ų14077%0.76575%0.749SS**  cis-159.7176.84.7-105.8169.3-174.8171.50106.8
561T33.7Very low31.3Very low112 Ų112142.2 Ų142.269%0.68775%0.752SS**  cis-160.9179.34.9-4.40000108.7
562G30.8Very low30.9Very low43 Ų43142.7 Ų142.744%0.44376%0.755SS.*  trans127.782140.600000121
563L31.8Very low30.6Very low123 Ų123144.8 Ų144.864%0.64476%0.755SS**  trans6196144.6-66.3166.5000121.6R537R537-L563 VanDerWaalsContact CZ-O 3.31Å; R537-L563 PolarHBondContact NE-O 3.02Å; R537-L563 PolarHBondContact NH2-O 3.29Å
564T32.1Very low30.3Very low53 Ų53147.4 Ų147.433%0.32576%0.755SS.*  49124.6119.258.40000121.6E541E541-T564 HydrophobicContact CG-CG2 4.37Å
565T33.3Very low29.8Very low127 Ų127150.7 Ų150.778%0.77976%0.759SS**  172.1147.3109.4-610000110.1
566K31.8Very low29.4Very low163 Ų163150.4 Ų150.471%0.70976%0.757SS**  trans-96.5149.8-156-58.2166.8178.6172.50116.3E541E541-K566 WeakPolarHBondContact OE2-CE 3.22Å; E541-K566 WeakPolarHBondContact OE2-CG 3.3Å; E541-K566 IonicContact OE2-NZ 3.83Å
567R32.4Very low29.1Very low253 Ų253149.4 Ų149.496%0.95576%0.757SS**  -161.8142.6129.6-112170.5-175.1-178.11.3115
568S30Very low28.9Very low110 Ų110149.7 Ų149.777%0.76977%0.769SS**  trans-54.7144.3-169.8-175.30000119.1
569L29.2Very low28.6Very low177 Ų177146 Ų14693%0.92777%0.767SS**  trans-138.3155.7151.5-89.8174000110.6
570R30.8Very low28.4Very low245 Ų245145.4 Ų145.493%0.92577%0.769SS**  trans-93.2155.9-174.8-74.7-178.4172.9173.4-2.2113
571K25.3Very low28.3Very low198 Ų198144.6 Ų144.686%0.86177%0.772SS**  trans-84.5149.2-178.2-63.9176.2178175.20113.1
572V25.1Very low28.1Very low141 Ų141147.9 Ų147.986%0.85578%0.782SS**  trans-127.9156.7150.1-179.70000107.5
573R22.6Very low28.1Very low238 Ų238149.4 Ų149.490%0.89878%0.782SS**  trans-126.4147.4173.5-86.2179.9165.2173.8-7.1109.1
574V24.3Very low28Very low132 Ų132148.1 Ų148.180%0.878%0.775SS**  trans-122.9152167.5-179.50000108.1
575L22.8Very low27.8Very low163 Ų163152 Ų15285%0.85379%0.794SS**  trans-124.3144.7179.3-156.182.7000108.5
576V24.8Very low27.7Very low130 Ų130150.9 Ų150.979%0.78879%0.79SS**  trans-133.3137.9-179.5-178.90000109.5
577T24.9Very low27.5Very low129 Ų129148.8 Ų148.879%0.79179%0.786SS**  trans-112.6149.6171.539.10000110.6
578V26.6Very low27.3Very low159 Ų159141.2 Ų141.296%0.96476%0.764SS**  trans-85.3123.3-170.2-173.80000110.2
579G26.1Very low27.2Very low70 Ų70140.9 Ų140.972%0.72276%0.76SS**  trans-161.3-15.5-174.500000118.6
580T28.3Very low27.1Very low112 Ų112136.4 Ų136.469%0.68774%0.743SS**  trans-153.9137.9175.711.60000110.5
581L27Very low26.9Very low158 Ų158133.5 Ų133.583%0.82774%0.741SS**SBendtrans-117.816.4-170.1-126.8167.7000113.9
582M30.9Very low27Very low181 Ų181128.8 Ų128.889%0.89272%0.724SS**SBendtrans-135.89.5-179.5-58.5-165.785.800114.6
583T30.5Very low27Very low75 Ų75126.5 Ų126.546%0.4673%0.728SS.*SBendtrans-94.5-0.8179330000114.2
584I29Very low27.2Very low97 Ų97118.5 Ų118.550%0.49771%0.709SS.*Hα-helixtrans-78.5-41.2-167-68.7173000112.7C586 L587 I588I584-C586 PolarHBondContact O-N 2.78Å; I584-L587 PolarHBondContact O-N 3.03Å; I584-I588 HydrophobicContact CG2-CD1 3.65Å; I584-I588 HydrophobicContact CG2-CG1 4.34Å; I584-I588 WeakPolarHBondContact O-CG1 3.47Å; I584-I588 PolarHBondContact O-N 3.29Å
585D28.6Very low28Very low133 Ų133116.2 Ų116.271%0.71170%0.699SS**Hα-helixtrans-62.8-31.2179.9-62.4-44.6000112.7C589D585-C589 PolarHBondContact O-SG 2.95Å
586C30.2Very low29.3Very low104 Ų104116 Ų11670%0.70369%0.693SS**Hα-helixtrans-74-29.8-179.6-161.60000113.1I584I584-C586 PolarHBondContact O-N 2.78Å
587L27.9Very low31.1Very low120 Ų120111.2 Ų111.263%0.62867%0.666SS**Hα-helixtrans-87.7-29.7179.8-91.4158.4000113.4I584 C589 S590I584-L587 PolarHBondContact O-N 3.03Å; L587-C589 PolarHBondContact O-N 2.72Å; L587-S590 PolarHBondContact O-N 3.08Å; L587-S590 PolarHBondContact O-OG 3.08Å
588I28Very low33.4Very low94 Ų94106.1 Ų106.148%0.48263%0.634SS.*Hα-helixtrans-64.2-27.9174.7-68.6172000111.1I584 S590 I592I584-I588 HydrophobicContact CG2-CD1 3.65Å; I584-I588 HydrophobicContact CG2-CG1 4.34Å; I584-I588 WeakPolarHBondContact O-CG1 3.47Å; I584-I588 PolarHBondContact O-N 3.29Å; I588-S590 VanDerWaalsContact C-N 3.34Å; I588-S590 PolarHBondContact O-N 2.75Å; I588-I592 HydrophobicContact CG2-CD1 3.88Å
589C28.3Very low36.2Very low102 Ų102101.3 Ų101.369%0.68960%0.603SS**Hα-helixtrans-74.7-14.3177.4-64.60000114.8D585 L587D585-C589 PolarHBondContact O-SG 2.95Å; L587-C589 PolarHBondContact O-N 2.72Å
590S27.8Very low39Very low83 Ų8398 Ų9858%0.5857%0.569SS**Hα-helixtrans-97.3-26.6-174.758.60000115.4L587 I588L587-S590 PolarHBondContact O-N 3.08Å; L587-S590 PolarHBondContact O-OG 3.08Å; I588-S590 VanDerWaalsContact C-N 3.34Å; I588-S590 PolarHBondContact O-N 2.75Å
591E26.1Very low41.7Very low185 Ų18597.4 Ų97.486%0.86456%0.558SS**Hα-helixtrans-101-8.2-179.9-68.3-163.513100114.2
592I26.8Very low44.3Very low99 Ų9993.1 Ų93.151%0.50854%0.539SS..  trans-100.686.3176.8-51.1-179.5000110I588 S594I588-I592 HydrophobicContact CG2-CD1 3.88Å; I592-S594 WeakPolarHBondContact CG2-OG 3.37Å; I592-S594 PolarHBondContact O-N 2.85Å
593G24.8Very low46.9Very low92 Ų9285.4 Ų85.495%0.94850%0.5SS*.  trans-69.841.8172.700000114.8
594S28.5Very low49.5Very low70 Ų7083.3 Ų83.349%0.4948%0.484SS..  trans-98.9135.3176.976.80000111.2I592 Q596I592-S594 WeakPolarHBondContact CG2-OG 3.37Å; I592-S594 PolarHBondContact O-N 2.85Å; S594-Q596 VanDerWaalsContact C-N 3.29Å; S594-Q596 PolarHBondContact O-N 3.34Å
595S40.6Very low52Low84 Ų8481 Ų8159%0.58747%0.474SS*.  trans-78.872.4-172.850.90000113K516 S597K516-S595 PolarHBondContact NZ-O 3.09Å; K516-S595 VanDerWaalsContact NZ-O 3.11Å; S595-S597 PolarHBondContact O-N 3.03Å; S595-S597 VanDerWaalsContact O-N 3.16Å
596Q50.1Low54.4Low159 Ų15975.8 Ų75.874%0.74345%0.446SS*.PPolyproline II helixtrans-52.6118.8167.8-66.7-168.55.400109.4N328 S594N328-Q596 PolarHBondContact ND2-O 3.24Å; N328-Q596 PolarHBondContact OD1-O 3.03Å; S594-Q596 VanDerWaalsContact C-N 3.29Å; S594-Q596 PolarHBondContact O-N 3.34Å
597S62.3Low56.8Low30 Ų3071.4 Ų71.421%0.2142%0.415CS..PPolyproline II helixtrans-81.4129.8176.744.90000110.9T513 S595 D599T513-S597 WeakPolarHBondContact CA-OG 3.33Å; T513-S597 WeakPolarHBondContact OG1-CB 3.5Å; T513-S597 PolarHBondContact OG1-O 2.85Å; T513-S597 PolarHBondContact OG1-OG 3.43Å; S595-S597 PolarHBondContact O-N 3.03Å; S595-S597 VanDerWaalsContact O-N 3.16Å; S597-D599 PolarHBondContact O-N 2.87Å
598V73Confident59.3Low21 Ų2165.7 Ų65.713%0.12739%0.385CS..PPolyproline II helixtrans-58.2123.6171.1-167.60000108.8S325 N328 T602 W603 L606S325-V598 WeakPolarHBondContact OG-CG2 3.39Å; N328-V598 HydrophobicContact CB-CG2 4.39Å; V598-T602 HydrophobicContact CG1-CG2 3.89Å; V598-W603 HydrophobicContact CG1-CB 3.81Å; V598-L606 HydrophobicContact CG1-CD1 3.98Å
599D84.5Confident61.8Low58 Ų5861.9 Ų61.931%0.3137%0.367SS..  trans-84.3174.3173.277.91.4000111.6S597 E601 T602 W603S597-D599 PolarHBondContact O-N 2.87Å; D599-E601 VanDerWaalsContact C-N 3.27Å; D599-E601 PolarHBondContact O-N 3.45Å; D599-E601 PolarHBondContact OD1-N 2.91Å; D599-T602 PolarHBondContact O-N 2.82Å; D599-T602 VanDerWaalsContact OD1-CB 3.24Å; D599-T602 WeakPolarHBondContact OD1-CB 3.47Å; D599-T602 PolarHBondContact OD1-N 2.73Å; D599-T602 PolarHBondContact OD1-OG1 3.27Å; D599-W603 WeakPolarHBondContact O-CB 3.16Å; D599-W603 PolarHBondContact O-N 2.75Å
600G85.4Confident64.1Low0 Ų057.8 Ų57.80%034%0.336CS..Hα-helixtrans-62.8-31.2-175.800000113.8K506 N510 Y604K506-G600 WeakPolarHBondContact CE-O 3.49Å; K506-G600 WeakPolarHBondContact CG-O 3.35Å; N510-G600 PolarHBondContact OD1-N 2.91Å; G600-Y604 VanDerWaalsContact O-CB 3.24Å; G600-Y604 WeakPolarHBondContact O-CB 3.38Å; G600-Y604 PolarHBondContact O-N 2.97Å
601E85.6Confident66.6Low100 Ų10053.9 Ų53.947%0.46731%0.309SS..Hα-helixtrans-79.4-42.4180-155.959.9-117.500111.3K506 D599 W603 Y604 V605K506-E601 WeakPolarHBondContact CE-OE2 3.37Å; K506-E601 IonicContact NZ-OE1 3.75Å; K506-E601 PolarHBondContact NZ-OE1 3.47Å; K506-E601 IonicContact NZ-OE2 2.68Å; K506-E601 PolarHBondContact NZ-OE2 2.92Å; D599-E601 VanDerWaalsContact C-N 3.27Å; D599-E601 PolarHBondContact O-N 3.45Å; D599-E601 PolarHBondContact OD1-N 2.91Å; E601-W603 PolarHBondContact O-N 2.83Å; E601-Y604 PolarHBondContact O-N 3.14Å; E601-Y604 VanDerWaalsContact OE1-CD1 3.27Å; E601-Y604 WeakPolarHBondContact OE1-CD1 3.45Å; E601-V605 WeakPolarHBondContact O-CG2 3.4Å; E601-V605 PolarHBondContact O-N 3.05Å
602T81.9Confident69.3Low68 Ų6845.5 Ų45.542%0.41727%0.271SS..Hα-helixtrans-60.1-45.2175.7-49.90000110.8V598 D599 V605 L606V598-T602 HydrophobicContact CG1-CG2 3.89Å; D599-T602 PolarHBondContact O-N 2.82Å; D599-T602 VanDerWaalsContact OD1-CB 3.24Å; D599-T602 WeakPolarHBondContact OD1-CB 3.47Å; D599-T602 PolarHBondContact OD1-N 2.73Å; D599-T602 PolarHBondContact OD1-OG1 3.27Å; T602-V605 PolarHBondContact O-N 2.96Å; T602-L606 HydrophobicContact CG2-CD1 3.92Å; T602-L606 HydrophobicContact CG2-CG 4.49Å; T602-L606 WeakPolarHBondContact O-CB 3.37Å; T602-L606 WeakPolarHBondContact O-CD1 2.93Å; T602-L606 VanDerWaalsContact O-CG 3.24Å; T602-L606 WeakPolarHBondContact O-CG 3.23Å; T602-L606 PolarHBondContact O-N 2.85Å
603W84.5Confident71.8Confident20 Ų2040.9 Ų40.98%0.07625%0.247CC..Hα-helixtrans-61.6-43.7174.717185.7000112.3E77 V502 K505 K506 L509 V598 D599 E601 V605 L606 E607E77-W603 PolarHBondContact OE2-NE1 3.4Å; V502-W603 HydrophobicContact CG1-CZ3 4.3Å; K505-W603 HydrophobicContact CB-CH2 4.08Å; K505-W603 HydrophobicContact CB-CZ3 4.19Å; K505-W603 HydrophobicContact CD-CZ2 4.42Å; K505-W603 HydrophobicContact CG-CD2 4.04Å; K505-W603 HydrophobicContact CG-CE3 3.99Å; K505-W603 HydrophobicContact CG-CH2 3.55Å; K505-W603 HydrophobicContact CG-CZ2 3.56Å; K505-W603 HydrophobicContact CG-CZ3 3.75Å; K506-W603 HydrophobicContact CG-CE3 4.03Å; K506-W603 HydrophobicContact CG-CZ3 4.02Å; L509-W603 HydrophobicContact CD1-CB 3.32Å; L509-W603 HydrophobicContact CD1-CD2 3.88Å; L509-W603 HydrophobicContact CD1-CE3 4.36Å; L509-W603 HydrophobicContact CD1-CG 3.38Å; V598-W603 HydrophobicContact CG1-CB 3.81Å; D599-W603 WeakPolarHBondContact O-CB 3.16Å; D599-W603 PolarHBondContact O-N 2.75Å; E601-W603 PolarHBondContact O-N 2.83Å; W603-V605 VanDerWaalsContact C-N 3.28Å; W603-V605 PolarHBondContact O-N 2.99Å; W603-L606 PolarHBondContact O-N 3.06Å; W603-E607 HydrophobicContact CD2-CG 4.25Å; W603-E607 HydrophobicContact CH2-CG 4.34Å; W603-E607 HydrophobicContact CZ2-CG 3.72Å; W603-E607 WeakPolarHBondContact O-CB 3.2Å; W603-E607 PolarHBondContact O-N 3.13Å
604Y85.2Confident74.4Confident31 Ų3136.8 Ų36.812%0.12220%0.203CC..Hα-helixtrans-63.6-33179.5177.1-99.4000112.9F494 P495 A497 V502 K506 G600 E601F494-Y604 HydrophobicContact CB-CE1 4.38Å; F494-Y604 AromaticContact CD1-CD1 3.94Å; F494-Y604 HydrophobicContact CD1-CD1 3.94Å; F494-Y604 AromaticContact CD1-CE1 3.45Å; F494-Y604 HydrophobicContact CD1-CE1 3.45Å; F494-Y604 VanDerWaalsContact CD1-CE1 3.45Å; F494-Y604 AromaticContact CD1-CZ 3.87Å; F494-Y604 HydrophobicContact CE1-CD1 4.22Å; F494-Y604 AromaticContact CE1-CE1 3.94Å; F494-Y604 HydrophobicContact CE1-CE1 3.94Å; F494-Y604 HydrophobicContact CG-CE1 4.11Å; P495-Y604 HydrophobicContact CB-CD2 4.31Å; P495-Y604 HydrophobicContact CB-CE2 4.13Å; P495-Y604 HydrophobicContact CG-CD2 4.26Å; P495-Y604 HydrophobicContact CG-CE2 4.39Å; P495-Y604 VanDerWaalsContact O-CE2 3.29Å; P495-Y604 WeakPolarHBondContact O-CE2 3.47Å; P495-Y604 PolarHBondContact O-OH 3.34Å; A497-Y604 HydrophobicContact CB-CE2 4.47Å; V502-Y604 HydrophobicContact CG1-CD2 4.01Å; V502-Y604 HydrophobicContact CG1-CE2 4.11Å; K506-Y604 HydrophobicContact CD-CD2 4.05Å; K506-Y604 HydrophobicContact CD-CG 4.12Å; G600-Y604 VanDerWaalsContact O-CB 3.24Å; G600-Y604 WeakPolarHBondContact O-CB 3.38Å; G600-Y604 PolarHBondContact O-N 2.97Å; E601-Y604 PolarHBondContact O-N 3.14Å; E601-Y604 VanDerWaalsContact OE1-CD1 3.27Å; E601-Y604 WeakPolarHBondContact OE1-CD1 3.45Å
605V82Confident77.1Confident48 Ų4833.4 Ų33.429%0.29118%0.18SC..Hα-helixtrans-72.9-47.9171.1172.50000111.4F494 E601 T602 W603 E607 A608 V609 L640F494-V605 HydrophobicContact CE1-CG2 4.36Å; E601-V605 WeakPolarHBondContact O-CG2 3.4Å; E601-V605 PolarHBondContact O-N 3.05Å; T602-V605 PolarHBondContact O-N 2.96Å; W603-V605 VanDerWaalsContact C-N 3.28Å; W603-V605 PolarHBondContact O-N 2.99Å; V605-E607 VanDerWaalsContact C-N 3.28Å; V605-E607 PolarHBondContact O-N 2.95Å; V605-A608 WeakPolarHBondContact O-CB 3.42Å; V605-A608 PolarHBondContact O-N 2.8Å; V605-V609 HydrophobicContact CG1-CG2 4.32Å; V605-V609 WeakPolarHBondContact O-CG2 3.46Å; V605-V609 PolarHBondContact O-N 2.85Å; V605-L640 HydrophobicContact CG1-CD2 3.39Å
606L79Confident79.1Confident24 Ų2429.5 Ų29.513%0.12615%0.152CC..Hα-helixtrans-59.3-37.9179.9-75165.5000112.5P322 S325 V598 T602 W603 A608 V609 R610P322-L606 HydrophobicContact CG-CD2 4.04Å; S325-L606 VanDerWaalsContact OG-CD1 3.26Å; S325-L606 WeakPolarHBondContact OG-CD1 3.27Å; V598-L606 HydrophobicContact CG1-CD1 3.98Å; T602-L606 HydrophobicContact CG2-CD1 3.92Å; T602-L606 HydrophobicContact CG2-CG 4.49Å; T602-L606 WeakPolarHBondContact O-CB 3.37Å; T602-L606 WeakPolarHBondContact O-CD1 2.93Å; T602-L606 VanDerWaalsContact O-CG 3.24Å; T602-L606 WeakPolarHBondContact O-CG 3.23Å; T602-L606 PolarHBondContact O-N 2.85Å; W603-L606 PolarHBondContact O-N 3.06Å; L606-A608 VanDerWaalsContact C-N 3.27Å; L606-A608 PolarHBondContact O-N 2.85Å; L606-V609 PolarHBondContact O-N 2.7Å; L606-R610 VanDerWaalsContact O-CG 3.25Å; L606-R610 WeakPolarHBondContact O-CG 3.21Å; L606-R610 PolarHBondContact O-N 3.36Å
607E80.1Confident80.4Confident12 Ų1222.9 Ų22.96%0.05613%0.127CC..Hα-helixtrans-58.2-37.8173.4-87.5-58.5103.400113I75 R470 P495 W603 V605 R610I75-E607 WeakPolarHBondContact CD1-OE1 3.29Å; R470-E607 IonicContact CZ-OE2 2.99Å; R470-E607 IonicContact NH1-OE2 2.67Å; R470-E607 PolarHBondContact NH1-OE2 3.38Å; R470-E607 PolarHBondContact NH2-O 2.61Å; R470-E607 IonicContact NH2-OE2 3.31Å; R470-E607 PolarHBondContact NH2-OE2 3.09Å; P495-E607 HydrophobicContact CG-CB 3.76Å; P495-E607 HydrophobicContact CG-CG 4.38Å; W603-E607 HydrophobicContact CD2-CG 4.25Å; W603-E607 HydrophobicContact CH2-CG 4.34Å; W603-E607 HydrophobicContact CZ2-CG 3.72Å; W603-E607 WeakPolarHBondContact O-CB 3.2Å; W603-E607 PolarHBondContact O-N 3.13Å; V605-E607 VanDerWaalsContact C-N 3.28Å; V605-E607 PolarHBondContact O-N 2.95Å; E607-R610 WeakPolarHBondContact OE1-CD 3.27Å; E607-R610 IonicContact OE1-CZ 2.99Å; E607-R610 IonicContact OE1-NH1 3.91Å; E607-R610 PolarHBondContact OE1-NH1 3.35Å
608A81.8Confident81.2Confident0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-72.9-41.9175.200000111.7I492 F494 V605 L606 R610 A611 V612I492-A608 HydrophobicContact CG2-CB 3.5Å; I492-A608 VanDerWaalsContact CG2-CB 3.5Å; F494-A608 HydrophobicContact CD1-CB 3.71Å; F494-A608 HydrophobicContact CE1-CB 4Å; F494-A608 HydrophobicContact CG-CB 4.15Å; V605-A608 WeakPolarHBondContact O-CB 3.42Å; V605-A608 PolarHBondContact O-N 2.8Å; L606-A608 VanDerWaalsContact C-N 3.27Å; L606-A608 PolarHBondContact O-N 2.85Å; A608-R610 PolarHBondContact O-N 3.15Å; A608-A611 PolarHBondContact O-N 3.2Å; A608-V612 WeakPolarHBondContact O-CG2 3.21Å; A608-V612 PolarHBondContact O-N 3.05Å
609V78.6Confident81.5Confident14 Ų1421.1 Ų21.19%0.08511%0.113CC..Hα-helixtrans-59.9-42.1176.8172.70000111.7V605 L606 A611 V612 N613 L640V605-V609 HydrophobicContact CG1-CG2 4.32Å; V605-V609 WeakPolarHBondContact O-CG2 3.46Å; V605-V609 PolarHBondContact O-N 2.85Å; L606-V609 PolarHBondContact O-N 2.7Å; V609-A611 PolarHBondContact O-N 3.32Å; V609-V612 PolarHBondContact O-N 3.27Å; V609-N613 WeakPolarHBondContact O-CB 3.35Å; V609-N613 VanDerWaalsContact O-CG 3.32Å; V609-N613 PolarHBondContact O-N 2.71Å; V609-L640 HydrophobicContact CG2-CB 4.07Å; V609-L640 HydrophobicContact CG2-CD2 3.58Å; V609-L640 HydrophobicContact CG2-CG 4.45Å
610R77.5Confident80.9Confident15 Ų1519.6 Ų19.66%0.05711%0.105CC..Hα-helixtrans-57.5-47.9176.5-73.5165.6179.4176.9-6.2112E77 E329 L606 E607 A608 V612 N613 Q614E77-R610 IonicContact OE2-NH1 3.15Å; E329-R610 IonicContact OE1-CZ 3.58Å; E329-R610 IonicContact OE1-NH1 3.54Å; E329-R610 IonicContact OE1-NH2 2.64Å; E329-R610 PolarHBondContact OE1-NH2 2.82Å; E329-R610 IonicContact OE2-CZ 3.83Å; E329-R610 IonicContact OE2-NH1 2.63Å; E329-R610 PolarHBondContact OE2-NH1 2.78Å; E329-R610 VanDerWaalsContact OE2-NH1 3.11Å; E329-R610 IonicContact OE2-NH2 2.66Å; E329-R610 PolarHBondContact OE2-NH2 2.97Å; L606-R610 VanDerWaalsContact O-CG 3.25Å; L606-R610 WeakPolarHBondContact O-CG 3.21Å; L606-R610 PolarHBondContact O-N 3.36Å; E607-R610 WeakPolarHBondContact OE1-CD 3.27Å; E607-R610 IonicContact OE1-CZ 2.99Å; E607-R610 IonicContact OE1-NH1 3.91Å; E607-R610 PolarHBondContact OE1-NH1 3.35Å; A608-R610 PolarHBondContact O-N 3.15Å; R610-V612 VanDerWaalsContact C-N 3.34Å; R610-V612 PolarHBondContact O-N 2.82Å; R610-N613 PolarHBondContact O-N 3.32Å; R610-Q614 WeakPolarHBondContact O-CG 3.31Å; R610-Q614 PolarHBondContact O-N 3.47Å
611A80.5Confident80.4Confident1 Ų122.7 Ų22.71%0.00812%0.117CC..Hα-helixtrans-68.9-29.8178.700000113.2R470 P493 A608 V609 A615R470-A611 HydrophobicContact CG-CB 3.75Å; P493-A611 HydrophobicContact CB-CB 4.38Å; P493-A611 HydrophobicContact CG-CB 3.68Å; A608-A611 PolarHBondContact O-N 3.2Å; V609-A611 PolarHBondContact O-N 3.32Å; A611-A615 PolarHBondContact O-N 3.13Å
612V82.2Confident80Confident10 Ų1021.2 Ų21.26%0.06111%0.109CC..Hα-helixtrans-68.8-46.7170.2170.10000110.7M469 I489 P493 A608 V609 R610 Q614 A615 I616M469-V612 HydrophobicContact SD-CG2 3.99Å; I489-V612 HydrophobicContact CG1-CG1 4.43Å; I489-V612 HydrophobicContact CG2-CG1 4.31Å; I489-V612 HydrophobicContact CG2-CG2 4.2Å; P493-V612 HydrophobicContact CG-CG2 3.98Å; A608-V612 WeakPolarHBondContact O-CG2 3.21Å; A608-V612 PolarHBondContact O-N 3.05Å; V609-V612 PolarHBondContact O-N 3.27Å; R610-V612 VanDerWaalsContact C-N 3.34Å; R610-V612 PolarHBondContact O-N 2.82Å; V612-Q614 VanDerWaalsContact C-N 3.33Å; V612-Q614 PolarHBondContact O-N 3.4Å; V612-A615 PolarHBondContact O-N 2.86Å; V612-A615 VanDerWaalsContact O-N 3.11Å; V612-I616 HydrophobicContact CG1-CD1 3.59Å; V612-I616 HydrophobicContact CG1-CG1 4.29Å; V612-I616 WeakPolarHBondContact O-CG1 3.28Å; V612-I616 PolarHBondContact O-N 3.17Å
613N79.6Confident79.8Confident1 Ų124.3 Ų24.31%0.00512%0.117CC..Hα-helixtrans-60.5-39.3177-72.7-13.8000112V609 R610 A615 I616 G617 G642 W644 I645V609-N613 WeakPolarHBondContact O-CB 3.35Å; V609-N613 VanDerWaalsContact O-CG 3.32Å; V609-N613 PolarHBondContact O-N 2.71Å; R610-N613 PolarHBondContact O-N 3.32Å; N613-A615 VanDerWaalsContact C-N 3.32Å; N613-A615 PolarHBondContact O-N 2.78Å; N613-I616 PolarHBondContact O-N 3.25Å; N613-G617 PolarHBondContact O-N 2.78Å; N613-G642 PolarHBondContact OD1-N 2.88Å; N613-W644 HydrophobicContact CB-CZ2 4.25Å; N613-I645 WeakPolarHBondContact OD1-CD1 3.48Å
614Q80.3Confident79.4Confident6 Ų628.1 Ų28.13%0.02814%0.139CC..Hα-helixtrans-61.1-36.3173.5-75.8172.8-5.900113.3H64 R610 V612H64-Q614 PolarHBondContact CD2-NE2 3.22Å; H64-Q614 PolarHBondContact O-NE2 2.79Å; R610-Q614 WeakPolarHBondContact O-CG 3.31Å; R610-Q614 PolarHBondContact O-N 3.47Å; V612-Q614 VanDerWaalsContact C-N 3.33Å; V612-Q614 PolarHBondContact O-N 3.4Å
615A84.2Confident79.1Confident0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-76.5-37.8175.400000112.1F397 M469 I489 A611 V612 N613 R618F397-A615 HydrophobicContact CB-CB 4.47Å; F397-A615 HydrophobicContact CD1-CB 4.04Å; F397-A615 HydrophobicContact CD2-CB 3.97Å; F397-A615 HydrophobicContact CE1-CB 4.21Å; F397-A615 HydrophobicContact CE2-CB 4.11Å; F397-A615 HydrophobicContact CG-CB 3.92Å; F397-A615 HydrophobicContact CZ-CB 4.23Å; M469-A615 HydrophobicContact CG-CB 4.36Å; I489-A615 HydrophobicContact CD1-CB 3.6Å; A611-A615 PolarHBondContact O-N 3.13Å; V612-A615 PolarHBondContact O-N 2.86Å; V612-A615 VanDerWaalsContact O-N 3.11Å; N613-A615 VanDerWaalsContact C-N 3.32Å; N613-A615 PolarHBondContact O-N 2.78Å; A615-R618 WeakPolarHBondContact O-CB 3.09Å; A615-R618 PolarHBondContact O-N 2.92Å
616I81.9Confident79.2Confident1 Ų124.9 Ų24.91%0.00512%0.122CC..Hα-helixtrans-66.6-39.6176.2-69.8171000111.7F349 I489 V612 N613 R618 V619 V629 L631 W644 I645F349-I616 HydrophobicContact CZ-CG2 4.28Å; I489-I616 HydrophobicContact CD1-CG1 4.3Å; I489-I616 HydrophobicContact CG1-CG1 4.13Å; V612-I616 HydrophobicContact CG1-CD1 3.59Å; V612-I616 HydrophobicContact CG1-CG1 4.29Å; V612-I616 WeakPolarHBondContact O-CG1 3.28Å; V612-I616 PolarHBondContact O-N 3.17Å; N613-I616 PolarHBondContact O-N 3.25Å; I616-R618 PolarHBondContact O-N 3.16Å; I616-V619 PolarHBondContact O-N 3.35Å; I616-V629 HydrophobicContact CB-CG2 4.41Å; I616-V629 HydrophobicContact CD1-CG1 3.98Å; I616-V629 HydrophobicContact CG1-CG1 3.82Å; I616-V629 HydrophobicContact CG1-CG2 4.24Å; I616-V629 HydrophobicContact CG2-CG2 3.67Å; I616-L631 HydrophobicContact CD1-CD2 4.04Å; I616-W644 HydrophobicContact CG2-CH2 4.01Å; I616-I645 HydrophobicContact CB-CD1 4.2Å; I616-I645 HydrophobicContact CD1-CD1 3.83Å; I616-I645 HydrophobicContact CG2-CD1 3.63Å; I616-I645 HydrophobicContact CG2-CG1 4.07Å
617G78.9Confident79.5Confident20 Ų2023.8 Ų23.821%0.20612%0.116CC..THydrogen-bonded Turntrans-60.83.7171.700000114.5N613 R621N613-G617 PolarHBondContact O-N 2.78Å; G617-R621 PolarHBondContact O-NH1 2.89Å
618R79.2Confident80Confident12 Ų1223.2 Ų23.25%0.04511%0.113CC..THydrogen-bonded Turntrans-92.90.2170.1-52.8-65164.9-157.7-11.4114.7L395 F397 S474 F477 D478 F479 A484 A615 I616 R621L395-R618 HydrophobicContact CD1-CB 4.09Å; F397-R618 HydrophobicContact CZ-CG 4.4Å; S474-R618 PolarHBondContact O-NE 3.49Å; S474-R618 VanDerWaalsContact O-NE 3.07Å; S474-R618 PolarHBondContact O-NH2 2.98Å; F477-R618 PolarHBondContact O-NH1 3.42Å; D478-R618 IonicContact OD1-NH1 3.69Å; F479-R618 HydrophobicContact CD2-CB 4.44Å; A484-R618 VanDerWaalsContact CB-O 3.3Å; A484-R618 WeakPolarHBondContact CB-O 3.43Å; A615-R618 WeakPolarHBondContact O-CB 3.09Å; A615-R618 PolarHBondContact O-N 2.92Å; I616-R618 PolarHBondContact O-N 3.16Å; R618-R621 PolarHBondContact O-NH2 2.7Å
619V78.8Confident80.3Confident2 Ų223.2 Ų23.21%0.01211%0.113CC..SBendtrans-86.1-34.8176.2-176.90000114F349 V487 I616 V629F349-V619 HydrophobicContact CD2-CG1 4.21Å; F349-V619 HydrophobicContact CE2-CB 4.15Å; F349-V619 HydrophobicContact CE2-CG1 3.98Å; V487-V619 HydrophobicContact CB-CG2 3.48Å; V487-V619 VanDerWaalsContact CB-CG2 3.48Å; V487-V619 HydrophobicContact CG2-CG2 3.35Å; I616-V619 PolarHBondContact O-N 3.35Å; V619-V629 HydrophobicContact CG2-CG2 3.98Å
620I71.8Confident80.9Confident26 Ų2622.5 Ų22.513%0.13311%0.109CC..  trans-119.9138.8-165.5-63.6149.9000110.9H342 V344 F349H342-I620 VanDerWaalsContact CE1-CD1 3.45Å; H342-I620 WeakPolarHBondContact CE1-CD1 3.36Å; H342-I620 VanDerWaalsContact NE2-CD1 3.33Å; H342-I620 WeakPolarHBondContact NE2-CD1 3.47Å; V344-I620 HydrophobicContact CG2-CG2 3.52Å; F349-I620 HydrophobicContact CB-CD1 4.39Å; F349-I620 HydrophobicContact CD1-CD1 3.94Å; F349-I620 HydrophobicContact CD2-CD1 3.48Å; F349-I620 VanDerWaalsContact CD2-CD1 3.48Å; F349-I620 HydrophobicContact CD2-CG1 3.89Å; F349-I620 HydrophobicContact CE1-CD1 3.96Å; F349-I620 HydrophobicContact CE2-CD1 3.51Å; F349-I620 HydrophobicContact CE2-CG1 4.1Å; F349-I620 HydrophobicContact CG-CD1 3.68Å; F349-I620 HydrophobicContact CG-CG1 4.37Å; F349-I620 HydrophobicContact CZ-CD1 3.75Å
621R74.4Confident81.5Confident66 Ų6621.9 Ų21.925%0.24911%0.107CC..  trans-119.9-34.6168.1-55.5-59.4163.8-142.3-23.2115.8D478 F479 A480 G617 R618 D625D478-R621 IonicContact OD1-CZ 2.68Å; D478-R621 IonicContact OD1-NE 2.6Å; D478-R621 PolarHBondContact OD1-NE 2.82Å; D478-R621 IonicContact OD1-NH1 3.77Å; D478-R621 PolarHBondContact OD1-NH1 3.29Å; F479-R621 VanDerWaalsContact N-NH2 3.12Å; F479-R621 VanDerWaalsContact O-CZ 3.31Å; F479-R621 PolarHBondContact O-NE 2.68Å; F479-R621 PolarHBondContact O-NH2 2.85Å; A480-R621 HydrophobicContact CB-CG 4.02Å; G617-R621 PolarHBondContact O-NH1 2.89Å; R618-R621 PolarHBondContact O-NH2 2.7Å; R621-D625 PolarHBondContact N-OD2 3.01Å
622H77.6Confident82Confident68 Ų6822 Ų2232%0.31511%0.108SC..SBendtrans-147.3163.5-174.150.673.4000112.1V344 D481 D624 D625V344-H622 WeakPolarHBondContact CG2-O 3.5Å; D481-H622 IonicContact OD2-NE2 2.82Å; H622-D624 PolarHBondContact O-N 3.36Å; H622-D625 PolarHBondContact ND1-N 3.24Å; H622-D625 VanDerWaalsContact ND1-N 3.18Å; H622-D625 WeakPolarHBondContact O-CB 3.23Å; H622-D625 PolarHBondContact O-N 3.06Å
623K77.2Confident82.2Confident133 Ų13321.6 Ų21.658%0.57811%0.105SC*.THydrogen-bonded Turntrans-50.2-32.4-177.473-176.3-174.2171.80114.9V343V343-K623 HydrophobicContact CG1-CB 4.21Å; V343-K623 WeakPolarHBondContact O-CA 3Å; V343-K623 VanDerWaalsContact O-CB 3.26Å; V343-K623 WeakPolarHBondContact O-CB 3.25Å
624D76.1Confident82.4Confident101 Ų10123.8 Ų23.854%0.5412%0.12SC..THydrogen-bonded Turntrans-92.61.3-177.2-45.3-77.9000113H622H622-D624 PolarHBondContact O-N 3.36Å
625D79.9Confident82.2Confident0 Ų026 Ų260%014%0.137CC..  trans-81.5158.3179.8-157.5-0.7000111H348 R485 R621 H622H348-D625 WeakPolarHBondContact CB-O 3.44Å; R485-D625 IonicContact CZ-OD1 3.12Å; R485-D625 IonicContact NH1-OD1 2.66Å; R485-D625 PolarHBondContact NH1-OD1 2.93Å; R621-D625 PolarHBondContact N-OD2 3.01Å; H622-D625 PolarHBondContact ND1-N 3.24Å; H622-D625 VanDerWaalsContact ND1-N 3.18Å; H622-D625 WeakPolarHBondContact O-CB 3.23Å; H622-D625 PolarHBondContact O-N 3.06Å
626F82.7Confident81.6Confident11 Ų1126.5 Ų26.55%0.04814%0.139CC..  trans-148.3146.5-178.372.4-77.3000113H348 R485 Y668 S671 I675H348-F626 HydrophobicContact CB-CB 3.97Å; H348-F626 WeakPolarHBondContact O-CA 3.45Å; H348-F626 VanDerWaalsContact O-CB 3.27Å; H348-F626 WeakPolarHBondContact O-CB 3.33Å; R485-F626 WeakPolarHBondContact CD-O 3.34Å; R485-F626 VanDerWaalsContact CZ-CZ 3.49Å; R485-F626 VanDerWaalsContact NE-CZ 3.3Å; R485-F626 VanDerWaalsContact NH1-CE1 3.34Å; R485-F626 PolarHBondContact NH1-O 3.14Å; F626-Y668 HydrophobicContact CD2-CD1 4.43Å; F626-Y668 HydrophobicContact CE2-CD1 4.02Å; F626-Y668 HydrophobicContact CE2-CE1 4.36Å; F626-S671 VanDerWaalsContact CD2-CB 3.48Å; F626-S671 WeakPolarHBondContact CD2-OG 3.17Å; F626-I675 HydrophobicContact CD1-CD1 4.26Å; F626-I675 HydrophobicContact CE1-CD1 3.26Å; F626-I675 HydrophobicContact CE1-CG1 4.29Å; F626-I675 HydrophobicContact CE2-CD1 4.41Å; F626-I675 HydrophobicContact CZ-CD1 3.34Å
627G87.1Confident80.6Confident0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans175.5-175.5178.400000112.2H348 F349 E350 R485H348-G627 PolarHBondContact O-N 2.96Å; F349-G627 WeakPolarHBondContact CA-O 3.35Å; E350-G627 PolarHBondContact N-O 2.9Å; R485-G627 VanDerWaalsContact O-CA 3.25Å; R485-G627 WeakPolarHBondContact O-CA 2.79Å
628A89.2Confident79.5Confident0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-138.3154.3-177.800000113.7E350 R485 A486 V487 I630 L664 L667E350-A628 CarbonylContact O-C 3.57Å; E350-A628 VanDerWaalsContact O-CA 3.23Å; E350-A628 WeakPolarHBondContact O-CA 3.18Å; R485-A628 PolarHBondContact O-N 3.4Å; A486-A628 CarbonylContact C-O 3.58Å; A486-A628 WeakPolarHBondContact CA-O 3.36Å; A486-A628 WeakPolarHBondContact CB-O 3.28Å; V487-A628 PolarHBondContact N-O 3.4Å; A628-I630 HydrophobicContact CB-CD1 4.41Å; A628-L664 HydrophobicContact CB-CD2 3.27Å; A628-L667 HydrophobicContact CB-CD2 4.09Å
629V89.3Confident78.4Confident0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-112.2129.4173.6176.90000109.5F349 E350 V351 Y352 V487 I616 V619 L631F349-V629 HydrophobicContact CE2-CG2 3.66Å; F349-V629 HydrophobicContact CZ-CG2 3.62Å; E350-V629 PolarHBondContact O-N 3.48Å; V351-V629 WeakPolarHBondContact CA-O 3.46Å; V351-V629 HydrophobicContact CB-CB 4.39Å; V351-V629 HydrophobicContact CG1-CB 4.07Å; V351-V629 HydrophobicContact CG1-CG1 4.16Å; V351-V629 HydrophobicContact CG2-CB 4.11Å; V351-V629 HydrophobicContact CG2-CG2 4.39Å; Y352-V629 PolarHBondContact N-O 2.89Å; V487-V629 CarbonylContact O-C 3.52Å; V487-V629 WeakPolarHBondContact O-CA 3.4Å; I616-V629 HydrophobicContact CB-CG2 4.41Å; I616-V629 HydrophobicContact CD1-CG1 3.98Å; I616-V629 HydrophobicContact CG1-CG1 3.82Å; I616-V629 HydrophobicContact CG1-CG2 4.24Å; I616-V629 HydrophobicContact CG2-CG2 3.67Å; V619-V629 HydrophobicContact CG2-CG2 3.98Å; V629-L631 HydrophobicContact CG1-CD2 3.44Å; V629-L631 VanDerWaalsContact CG1-CD2 3.44Å; V629-L631 HydrophobicContact CG1-CG 3.89Å
630I91.2Very high77.4Confident0 Ų037.3 Ų37.30%021%0.214CC..EExtended strand (participates in β ladder)trans-117.8107.2175.9-57.588.6000108.9Y352 C354 L386 A486 V487 V488 I489 A628 A632 T660 L664Y352-I630 CarbonylContact O-C 3.58Å; Y352-I630 WeakPolarHBondContact O-CA 3.39Å; C354-I630 HydrophobicContact CB-CG2 4.21Å; L386-I630 HydrophobicContact CD1-CG2 4.27Å; L386-I630 HydrophobicContact CD2-CD1 4.3Å; L386-I630 HydrophobicContact CD2-CG1 4.08Å; A486-I630 HydrophobicContact CB-CD1 3.85Å; V487-I630 PolarHBondContact O-N 3.21Å; V488-I630 CarbonylContact C-O 3.45Å; V488-I630 VanDerWaalsContact CA-O 3.32Å; V488-I630 WeakPolarHBondContact CA-O 3.27Å; V488-I630 HydrophobicContact CG1-CB 4.41Å; V488-I630 HydrophobicContact CG2-CB 4.36Å; V488-I630 HydrophobicContact CG2-CD1 4.46Å; I489-I630 PolarHBondContact N-O 2.9Å; A628-I630 HydrophobicContact CB-CD1 4.41Å; I630-A632 PolarHBondContact O-N 3.22Å; I630-T660 HydrophobicContact CG1-CG2 4.25Å; I630-L664 HydrophobicContact CD1-CD1 4.14Å; I630-L664 HydrophobicContact CD1-CD2 4.45Å; I630-L664 HydrophobicContact CG1-CD1 4.21Å
631L90.1Very high76.9Confident1 Ų136.8 Ų36.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-89.293.8179.1-54.4-178.9000108.3V351 Y352 V353 C354 I489 I616 V629 D633 I636 I641V351-L631 HydrophobicContact CG1-CD1 4.04Å; V351-L631 HydrophobicContact CG1-CG 4.43Å; Y352-L631 PolarHBondContact O-N 3.42Å; V353-L631 HydrophobicContact CG2-CB 4.24Å; V353-L631 HydrophobicContact CG2-CD1 4.13Å; C354-L631 PolarHBondContact N-O 3.45Å; I489-L631 HydrophobicContact CB-CD2 3.67Å; I489-L631 HydrophobicContact CG1-CD2 3.53Å; I489-L631 HydrophobicContact CG2-CD2 4.35Å; I616-L631 HydrophobicContact CD1-CD2 4.04Å; V629-L631 HydrophobicContact CG1-CD2 3.44Å; V629-L631 VanDerWaalsContact CG1-CD2 3.44Å; V629-L631 HydrophobicContact CG1-CG 3.89Å; L631-D633 VanDerWaalsContact C-N 3.3Å; L631-D633 PolarHBondContact O-N 3.2Å; L631-I636 HydrophobicContact CB-CD1 3.88Å; L631-I636 HydrophobicContact CB-CG2 4.16Å; L631-I636 HydrophobicContact CD1-CG2 3.86Å; L631-I641 HydrophobicContact CD1-CD1 3.52Å; L631-I641 HydrophobicContact CD1-CG1 3.87Å
632A91Very high76.1Confident4 Ų434 Ų343%0.03320%0.202CC..  trans-91.348.8-168.600000113L363 V488 I489 I630L363-A632 HydrophobicContact CD1-CB 4.19Å; V488-A632 HydrophobicContact CG1-CB 4.05Å; I489-A632 WeakPolarHBondContact O-CB 3.29Å; I489-A632 PolarHBondContact O-N 2.92Å; I630-A632 PolarHBondContact O-N 3.22Å
633D86.4Confident75Confident1 Ų136.2 Ų36.21%0.00522%0.216CC..  trans-147138.9172.4-160.4-71.3000112L363 G365 G491 L631 S635 I636L363-D633 CarbonylContact O-C 3.59Å; L363-D633 VanDerWaalsContact O-CA 3.29Å; L363-D633 WeakPolarHBondContact O-CA 3.41Å; G365-D633 WeakPolarHBondContact CA-OD2 3.49Å; G365-D633 PolarHBondContact N-OD2 2.97Å; G491-D633 WeakPolarHBondContact CA-OD2 3.48Å; L631-D633 VanDerWaalsContact C-N 3.3Å; L631-D633 PolarHBondContact O-N 3.2Å; D633-S635 VanDerWaalsContact C-N 3.29Å; D633-S635 PolarHBondContact O-N 3.47Å; D633-S635 WeakPolarHBondContact OD1-CB 3.43Å; D633-S635 PolarHBondContact OD1-N 2.93Å; D633-S635 PolarHBondContact OD1-OG 2.87Å; D633-I636 HydrophobicContact CB-CD1 3.9Å; D633-I636 HydrophobicContact CB-CG1 4.12Å; D633-I636 PolarHBondContact O-N 3.26Å
634C83.2Confident73.8Confident47 Ų4731.8 Ų31.832%0.31820%0.196SC..THydrogen-bonded Turntrans-76.8-11.2-179.373.80000114.3P355 S362 L363 I636P355-C634 HydrophobicContact CB-CB 3.68Å; S362-C634 PolarHBondContact OG-SG 3.4Å; L363-C634 PolarHBondContact O-N 2.94Å; L363-C634 PolarHBondContact O-SG 2.97Å; C634-I636 VanDerWaalsContact C-N 3.3Å
635S75.9Confident73Confident54 Ų5427 Ų2738%0.37817%0.17SC..THydrogen-bonded Turntrans-83-7.1172.661.70000113.2I492 D633 V637I492-S635 WeakPolarHBondContact CD1-OG 2.99Å; D633-S635 VanDerWaalsContact C-N 3.29Å; D633-S635 PolarHBondContact O-N 3.47Å; D633-S635 WeakPolarHBondContact OD1-CB 3.43Å; D633-S635 PolarHBondContact OD1-N 2.93Å; D633-S635 PolarHBondContact OD1-OG 2.87Å; S635-V637 PolarHBondContact O-N 3.13Å
636I70.6Confident71.8Confident10 Ų1028.6 Ų28.65%0.05118%0.184CC..  trans-80.699.8177.5-63.5172000109.8V353 I492 L631 D633 C634V353-I636 HydrophobicContact CG1-CB 4.49Å; V353-I636 HydrophobicContact CG2-CG2 4.27Å; I492-I636 HydrophobicContact CD1-CG1 3.84Å; I492-I636 HydrophobicContact CG1-CD1 4.26Å; I492-I636 HydrophobicContact CG1-CG1 3.81Å; L631-I636 HydrophobicContact CB-CD1 3.88Å; L631-I636 HydrophobicContact CB-CG2 4.16Å; L631-I636 HydrophobicContact CD1-CG2 3.86Å; D633-I636 HydrophobicContact CB-CD1 3.9Å; D633-I636 HydrophobicContact CB-CG1 4.12Å; D633-I636 PolarHBondContact O-N 3.26Å; C634-I636 VanDerWaalsContact C-N 3.3Å
637V62.6Low70.4Confident93 Ų9336.5 Ų36.556%0.56422%0.218SC*.  trans-91.7152.9169-174.20000108.9S635 S639 L640S635-V637 PolarHBondContact O-N 3.13Å; V637-S639 PolarHBondContact O-N 3.29Å; V637-L640 WeakPolarHBondContact O-CB 3.23Å; V637-L640 PolarHBondContact O-N 3.23Å
638G55.6Low68.7Low40 Ų4038.3 Ų38.341%0.41223%0.23SC..G310 helixtrans-56.4-19.9-176.500000115.9L640 I641G638-L640 PolarHBondContact O-N 3.21Å; G638-I641 PolarHBondContact O-N 3.46Å
639S54.9Low67.1Low102 Ų10240.4 Ų40.471%0.71324%0.243SC*.G310 helixtrans-68.7-11.6172.250.60000114.7V637 I641V637-S639 PolarHBondContact O-N 3.29Å; S639-I641 VanDerWaalsContact C-N 3.35Å
640L57.7Low65.3Low27 Ų2741.9 Ų41.914%0.14126%0.258CS..G310 helixtrans-93.26.7176.3-64.1169.4000113.1I492 V605 V609 V637 G638I492-L640 HydrophobicContact CD1-CD1 3.84Å; V605-L640 HydrophobicContact CG1-CD2 3.39Å; V609-L640 HydrophobicContact CG2-CB 4.07Å; V609-L640 HydrophobicContact CG2-CD2 3.58Å; V609-L640 HydrophobicContact CG2-CG 4.45Å; V637-L640 WeakPolarHBondContact O-CB 3.23Å; V637-L640 PolarHBondContact O-N 3.23Å; G638-L640 PolarHBondContact O-N 3.21Å
641I61.7Low63.5Low14 Ų1452 Ų527%0.07230%0.302CS..SBendtrans-112.2128.6-177.2-61.6173.5000107.6L631 G638 S639 I645 A646 L653L631-I641 HydrophobicContact CD1-CD1 3.52Å; L631-I641 HydrophobicContact CD1-CG1 3.87Å; G638-I641 PolarHBondContact O-N 3.46Å; S639-I641 VanDerWaalsContact C-N 3.35Å; I641-I645 HydrophobicContact CG2-CB 3.55Å; I641-I645 HydrophobicContact CG2-CD1 4.13Å; I641-I645 HydrophobicContact CG2-CG1 4.46Å; I641-I645 HydrophobicContact CG2-CG2 3.44Å; I641-I645 VanDerWaalsContact CG2-CG2 3.44Å; I641-A646 HydrophobicContact CG2-CB 4.34Å; I641-L653 HydrophobicContact CD1-CD1 3.73Å
642G58.2Low62Low7 Ų758.5 Ų58.57%0.07234%0.337CS..  trans-59.5146.1179.400000112.5N613 W644 I645 A646N613-G642 PolarHBondContact OD1-N 2.88Å; G642-W644 PolarHBondContact O-N 2.97Å; G642-I645 WeakPolarHBondContact O-CA 3.38Å; G642-I645 WeakPolarHBondContact O-CB 3.46Å; G642-I645 PolarHBondContact O-N 2.89Å; G642-A646 PolarHBondContact O-N 3.18Å
643L53.6Low61Low115 Ų11559 Ų5960%0.60234%0.339SS*.Hα-helixtrans-55.7-38.3-177.6-78.7115.7000112.8I645 A646 F647L643-I645 PolarHBondContact O-N 3.04Å; L643-A646 PolarHBondContact O-N 3.23Å; L643-A646 VanDerWaalsContact O-N 3.13Å; L643-F647 WeakPolarHBondContact O-CB 3.42Å; L643-F647 PolarHBondContact O-N 3.21Å
644W53.3Low60.3Low40 Ų4064.8 Ų64.815%0.15237%0.37CS..Hα-helixtrans-56.2-30.7174.769-85.3000113.5H342 N613 I616 G642 P648H342-W644 AromaticContact CD2-CE3 3.78Å; H342-W644 PolarHBondContact CD2-O 3.12Å; N613-W644 HydrophobicContact CB-CZ2 4.25Å; I616-W644 HydrophobicContact CG2-CH2 4.01Å; G642-W644 PolarHBondContact O-N 2.97Å; W644-P648 WeakPolarHBondContact O-CD 3.01Å
645I58.7Low59.9Low0 Ų065 Ų650%036%0.364CS..Hα-helixtrans-84.6-46172.8-60.3159.1000110.6F349 V351 N613 I616 I641 G642 L643 F647 P648 V649F349-I645 HydrophobicContact CE1-CG2 4.26Å; V351-I645 HydrophobicContact CG1-CG2 4.38Å; V351-I645 HydrophobicContact CG2-CG2 3.66Å; N613-I645 WeakPolarHBondContact OD1-CD1 3.48Å; I616-I645 HydrophobicContact CB-CD1 4.2Å; I616-I645 HydrophobicContact CD1-CD1 3.83Å; I616-I645 HydrophobicContact CG2-CD1 3.63Å; I616-I645 HydrophobicContact CG2-CG1 4.07Å; I641-I645 HydrophobicContact CG2-CB 3.55Å; I641-I645 HydrophobicContact CG2-CD1 4.13Å; I641-I645 HydrophobicContact CG2-CG1 4.46Å; I641-I645 HydrophobicContact CG2-CG2 3.44Å; I641-I645 VanDerWaalsContact CG2-CG2 3.44Å; G642-I645 WeakPolarHBondContact O-CA 3.38Å; G642-I645 WeakPolarHBondContact O-CB 3.46Å; G642-I645 PolarHBondContact O-N 2.89Å; L643-I645 PolarHBondContact O-N 3.04Å; I645-F647 VanDerWaalsContact C-N 3.35Å; I645-F647 PolarHBondContact O-N 2.9Å; I645-P648 VanDerWaalsContact O-CD 3.23Å; I645-P648 WeakPolarHBondContact O-CD 3.5Å; I645-P648 WeakPolarHBondContact O-CG 3.32Å; I645-V649 WeakPolarHBondContact O-CG2 3.3Å
646A54.2Low60.2Low35 Ų3566.2 Ų66.229%0.28937%0.37SS..Hα-helixtrans-67.2-32.6-171.300000113.6I641 G642 L643 G650I641-A646 HydrophobicContact CG2-CB 4.34Å; G642-A646 PolarHBondContact O-N 3.18Å; L643-A646 PolarHBondContact O-N 3.23Å; L643-A646 VanDerWaalsContact O-N 3.13Å; A646-G650 PolarHBondContact O-N 2.94Å
647F54.3Low60.8Low176 Ų17666.1 Ų66.177%0.77237%0.37SS*.Hα-helixtrans-63.3-47.9-176.4-154.1-98.4000114.2L643 I645L643-F647 WeakPolarHBondContact O-CB 3.42Å; L643-F647 PolarHBondContact O-N 3.21Å; I645-F647 VanDerWaalsContact C-N 3.35Å; I645-F647 PolarHBondContact O-N 2.9Å
648P51.6Low61.8Low38 Ų3865 Ų6525%0.24737%0.366CS..Hα-helixtrans-72-22.7179.425.4-36.2000116.3H342 W644 I645H342-P648 HydrophobicContact CB-CG 4.24Å; W644-P648 WeakPolarHBondContact O-CD 3.01Å; I645-P648 VanDerWaalsContact O-CD 3.23Å; I645-P648 WeakPolarHBondContact O-CD 3.5Å; I645-P648 WeakPolarHBondContact O-CG 3.32Å
649V54.9Low63.2Low44 Ų4463.8 Ų63.827%0.26735%0.354SS..Hα-helixtrans-92.6-24-174.5-116.60000114.9V351 I645 L653V351-V649 HydrophobicContact CB-CG1 4.01Å; V351-V649 HydrophobicContact CB-CG2 4.08Å; V351-V649 HydrophobicContact CG2-CG1 4.22Å; V351-V649 HydrophobicContact CG2-CG2 3.98Å; I645-V649 WeakPolarHBondContact O-CG2 3.3Å; V649-L653 HydrophobicContact CB-CD2 3.81Å; V649-L653 HydrophobicContact CG1-CD2 4.18Å; V649-L653 HydrophobicContact CG2-CD2 3.97Å
650G52.2Low64.6Low32 Ų3258.9 Ų58.933%0.3332%0.32SS..  trans74.6-178.2-168.600000113.6A646A646-G650 PolarHBondContact O-N 2.94Å
651F51.9Low66Low211 Ų21158.9 Ų58.993%0.92532%0.32SS*.SBendtrans-86.3-21.3-167-65.7-78.9000115.2L653F651-L653 PolarHBondContact O-N 2.82Å
652D59Low67.2Low138 Ų13864.9 Ų64.974%0.73835%0.347SS*.  trans-78.968-179.8-70.1-38.9000111.2Y655D652-Y655 WeakPolarHBondContact O-CE2 3.14Å; D652-Y655 PolarHBondContact O-OH 3.18Å
653L70.6Confident68.5Low14 Ų1468.6 Ų68.67%0.07336%0.362CS..  trans-90-18.6-177.3-64.5172.7000114.2V351 V353 I641 V649 F651 Y655V351-L653 HydrophobicContact CB-CD2 4.24Å; V351-L653 HydrophobicContact CG1-CD2 4.48Å; V351-L653 WeakPolarHBondContact O-CD2 3.44Å; V353-L653 HydrophobicContact CG2-CB 4.16Å; V353-L653 PolarHBondContact N-O 3.41Å; I641-L653 HydrophobicContact CD1-CD1 3.73Å; V649-L653 HydrophobicContact CB-CD2 3.81Å; V649-L653 HydrophobicContact CG1-CD2 4.18Å; V649-L653 HydrophobicContact CG2-CD2 3.97Å; F651-L653 PolarHBondContact O-N 2.82Å; L653-Y655 WeakPolarHBondContact O-CD2 3.41Å
654L72.1Confident70.1Confident124 Ų12463.1 Ų63.165%0.64933%0.333SS*.BIsolated β-bridgetrans-86.8115.8-171.9-79163.3000111.8V353 P355V353-L654 HydrophobicContact CB-CD2 3.86Å; V353-L654 HydrophobicContact CB-CG 4.43Å; V353-L654 HydrophobicContact CG1-CD2 3.59Å; P355-L654 HydrophobicContact CG-CD2 4.11Å
655Y75.2Confident71.6Confident52 Ų5262.9 Ų62.920%0.20434%0.338CS..  trans-134.8144.4175.5-61-91.3000112Y352 V353 D652 L653 T660 K663Y352-Y655 AromaticContact CD1-CD2 3.52Å; Y352-Y655 HydrophobicContact CD1-CD2 3.52Å; Y352-Y655 AromaticContact CD1-CE2 3.78Å; Y352-Y655 HydrophobicContact CD1-CE2 3.78Å; Y352-Y655 HydrophobicContact CD1-CG 4.38Å; Y352-Y655 AromaticContact CE1-CD2 3.99Å; Y352-Y655 HydrophobicContact CE1-CD2 3.99Å; Y352-Y655 AromaticContact CE1-CE2 3.88Å; Y352-Y655 HydrophobicContact CE1-CE2 3.88Å; V353-Y655 PolarHBondContact O-N 2.95Å; D652-Y655 WeakPolarHBondContact O-CE2 3.14Å; D652-Y655 PolarHBondContact O-OH 3.18Å; L653-Y655 WeakPolarHBondContact O-CD2 3.41Å; Y655-T660 WeakPolarHBondContact CB-OG1 3.49Å; Y655-K663 HydrophobicContact CE1-CD 4.37Å; Y655-K663 PolarHBondContact OH-NZ 2.97Å
656P80.6Confident72.8Confident78 Ų7864.2 Ų64.251%0.50635%0.351SS..  trans-63.4148.2161.830.7-34.3000109S658 G659 T660P656-S658 PolarHBondContact O-N 2.9Å; P656-G659 PolarHBondContact O-N 3.04Å; P656-T660 PolarHBondContact O-N 3.04Å
657L84.1Confident74.1Confident8 Ų862.9 Ų62.94%0.04234%0.339CS..Hα-helixtrans-51.3-32.5-175.3179.767.6000114P358 T660 L661P358-L657 HydrophobicContact CB-CD2 4.11Å; P358-L657 HydrophobicContact CG-CD2 4.19Å; L657-T660 PolarHBondContact O-N 3Å; L657-L661 HydrophobicContact CD1-CD1 4.27Å; L657-L661 HydrophobicContact CD1-CG 4.24Å; L657-L661 HydrophobicContact CD2-CD1 4.4Å; L657-L661 HydrophobicContact CG-CD1 3.84Å; L657-L661 HydrophobicContact CG-CG 4.3Å; L657-L661 WeakPolarHBondContact O-CD1 3.08Å; L657-L661 WeakPolarHBondContact O-CG 3.34Å; L657-L661 PolarHBondContact O-N 2.88Å
658S83.8Confident75.5Confident69 Ų6954.8 Ų54.848%0.48330%0.304SS..Hα-helixtrans-60.4-50.1174.649.20000112.7P656 T660 L661 E662P656-S658 PolarHBondContact O-N 2.9Å; S658-T660 VanDerWaalsContact C-N 3.31Å; S658-T660 PolarHBondContact O-N 3.47Å; S658-L661 PolarHBondContact O-N 2.8Å; S658-L661 VanDerWaalsContact O-N 3.14Å; S658-E662 WeakPolarHBondContact O-CG 3.46Å; S658-E662 PolarHBondContact O-N 3.15Å
659G84.6Confident76.8Confident15 Ų1559.2 Ų59.216%0.15532%0.321CS..Hα-helixtrans-64.1-36177.900000112.4P656 E662 K663P656-G659 PolarHBondContact O-N 3.04Å; G659-E662 PolarHBondContact O-N 3.31Å; G659-K663 WeakPolarHBondContact O-CG 3.27Å; G659-K663 PolarHBondContact O-N 3.11Å
660T84.1Confident77.6Confident0 Ų062.9 Ų62.90%034%0.338CS..Hα-helixtrans-61.1-46.7171.1-53.20000111.6Y352 C354 I630 Y655 P656 L657 S658 E662 K663 L664Y352-T660 HydrophobicContact CD1-CG2 4.48Å; Y352-T660 HydrophobicContact CD2-CG2 3.86Å; Y352-T660 HydrophobicContact CG-CG2 3.74Å; C354-T660 PolarHBondContact SG-OG1 2.94Å; I630-T660 HydrophobicContact CG1-CG2 4.25Å; Y655-T660 WeakPolarHBondContact CB-OG1 3.49Å; P656-T660 PolarHBondContact O-N 3.04Å; L657-T660 PolarHBondContact O-N 3Å; S658-T660 VanDerWaalsContact C-N 3.31Å; S658-T660 PolarHBondContact O-N 3.47Å; T660-E662 VanDerWaalsContact C-N 3.35Å; T660-E662 PolarHBondContact O-N 3Å; T660-K663 PolarHBondContact O-N 3.39Å; T660-L664 HydrophobicContact CG2-CD1 3.88Å; T660-L664 HydrophobicContact CG2-CG 4.28Å; T660-L664 WeakPolarHBondContact O-CB 3.35Å; T660-L664 WeakPolarHBondContact O-CG 3.18Å; T660-L664 PolarHBondContact O-N 3.37Å
661L87.2Confident78.4Confident26 Ų2661.8 Ų61.814%0.13633%0.326CS..Hα-helixtrans-66.2-36.1179.5-68.2161.9000112.4N385 L386 I389 L657 S658 S665N385-L661 HydrophobicContact CB-CD1 3.75Å; N385-L661 HydrophobicContact CB-CD2 4.18Å; L386-L661 HydrophobicContact CD2-CD2 3.97Å; L386-L661 HydrophobicContact CG-CD2 4.45Å; I389-L661 HydrophobicContact CB-CD2 4.27Å; I389-L661 HydrophobicContact CG1-CB 4.44Å; I389-L661 HydrophobicContact CG1-CD2 3.72Å; L657-L661 HydrophobicContact CD1-CD1 4.27Å; L657-L661 HydrophobicContact CD1-CG 4.24Å; L657-L661 HydrophobicContact CD2-CD1 4.4Å; L657-L661 HydrophobicContact CG-CD1 3.84Å; L657-L661 HydrophobicContact CG-CG 4.3Å; L657-L661 WeakPolarHBondContact O-CD1 3.08Å; L657-L661 WeakPolarHBondContact O-CG 3.34Å; L657-L661 PolarHBondContact O-N 2.88Å; S658-L661 PolarHBondContact O-N 2.8Å; S658-L661 VanDerWaalsContact O-N 3.14Å; L661-S665 WeakPolarHBondContact O-CB 3.11Å; L661-S665 PolarHBondContact O-N 3.42Å
662E87Confident79Confident140 Ų14055.2 Ų55.265%0.65430%0.3SS*.Hα-helixtrans-63.5-49.4173.9-74.2164.2-159.300111.4S658 G659 T660 S665 G666S658-E662 WeakPolarHBondContact O-CG 3.46Å; S658-E662 PolarHBondContact O-N 3.15Å; G659-E662 PolarHBondContact O-N 3.31Å; T660-E662 VanDerWaalsContact C-N 3.35Å; T660-E662 PolarHBondContact O-N 3Å; E662-S665 WeakPolarHBondContact O-CB 3.36Å; E662-S665 PolarHBondContact O-N 3.45Å; E662-G666 PolarHBondContact O-N 2.86Å; E662-G666 VanDerWaalsContact O-N 3.11Å
663K85.3Confident79.1Confident85 Ų8551.1 Ų51.137%0.3728%0.282SS..Hα-helixtrans-64-45.7177.1-72.1-168.7171-163.20112.8Y352 Y655 G659 T660 S665 G666 L667Y352-K663 HydrophobicContact CE1-CB 4.35Å; Y352-K663 HydrophobicContact CE1-CD 3.61Å; Y352-K663 VanDerWaalsContact OH-CB 3.31Å; Y352-K663 WeakPolarHBondContact OH-CB 3.14Å; Y352-K663 VanDerWaalsContact OH-CD 3.26Å; Y352-K663 WeakPolarHBondContact OH-CD 3.42Å; Y655-K663 HydrophobicContact CE1-CD 4.37Å; Y655-K663 PolarHBondContact OH-NZ 2.97Å; G659-K663 WeakPolarHBondContact O-CG 3.27Å; G659-K663 PolarHBondContact O-N 3.11Å; T660-K663 PolarHBondContact O-N 3.39Å; K663-S665 VanDerWaalsContact C-N 3.27Å; K663-S665 PolarHBondContact O-N 2.94Å; K663-G666 CarbonylContact O-C 3.49Å; K663-G666 WeakPolarHBondContact O-CA 3.32Å; K663-G666 PolarHBondContact O-N 2.71Å; K663-L667 PolarHBondContact O-N 3.15Å
664L86.7Confident78.5Confident0 Ų053.8 Ų53.80%030%0.299CS..Hα-helixtrans-56.5-40.5174.4-73.1173.4000112.1Y352 L386 I389 A628 I630 T660 G666 L667 Y668Y352-L664 HydrophobicContact CD2-CD2 4.29Å; Y352-L664 HydrophobicContact CE2-CD2 4.11Å; Y352-L664 HydrophobicContact CE2-CG 4.37Å; L386-L664 HydrophobicContact CD2-CD1 3.76Å; I389-L664 HydrophobicContact CG2-CB 3.89Å; A628-L664 HydrophobicContact CB-CD2 3.27Å; I630-L664 HydrophobicContact CD1-CD1 4.14Å; I630-L664 HydrophobicContact CD1-CD2 4.45Å; I630-L664 HydrophobicContact CG1-CD1 4.21Å; T660-L664 HydrophobicContact CG2-CD1 3.88Å; T660-L664 HydrophobicContact CG2-CG 4.28Å; T660-L664 WeakPolarHBondContact O-CB 3.35Å; T660-L664 WeakPolarHBondContact O-CG 3.18Å; T660-L664 PolarHBondContact O-N 3.37Å; L664-G666 VanDerWaalsContact C-N 3.31Å; L664-G666 PolarHBondContact O-N 3.3Å; L664-L667 PolarHBondContact O-N 3.31Å; L664-Y668 HydrophobicContact CB-CD2 4.45Å; L664-Y668 HydrophobicContact CB-CE2 4.08Å; L664-Y668 HydrophobicContact CD2-CE2 4.18Å; L664-Y668 WeakPolarHBondContact O-CD2 3.31Å; L664-Y668 PolarHBondContact O-N 3Å
665S85.6Confident77.9Confident36 Ų3649.8 Ų49.825%0.25228%0.278SS..Hα-helixtrans-61.7-40174.4-1700000111.5L661 E662 K663 Q669L661-S665 WeakPolarHBondContact O-CB 3.11Å; L661-S665 PolarHBondContact O-N 3.42Å; E662-S665 WeakPolarHBondContact O-CB 3.36Å; E662-S665 PolarHBondContact O-N 3.45Å; K663-S665 VanDerWaalsContact C-N 3.27Å; K663-S665 PolarHBondContact O-N 2.94Å; S665-Q669 VanDerWaalsContact O-CB 3.32Å; S665-Q669 WeakPolarHBondContact O-CB 3.49Å; S665-Q669 WeakPolarHBondContact O-CG 3.26Å; S665-Q669 PolarHBondContact O-N 2.57Å; S665-Q669 PolarHBondContact OG-NE2 3.33Å
666G83.7Confident76.9Confident28 Ų2850.4 Ų50.429%0.28929%0.289SS..Hα-helixtrans-61.3-52.917200000113.1E662 K663 L664 Y668 Q669 L670E662-G666 PolarHBondContact O-N 2.86Å; E662-G666 VanDerWaalsContact O-N 3.11Å; K663-G666 CarbonylContact O-C 3.49Å; K663-G666 WeakPolarHBondContact O-CA 3.32Å; K663-G666 PolarHBondContact O-N 2.71Å; L664-G666 VanDerWaalsContact C-N 3.31Å; L664-G666 PolarHBondContact O-N 3.3Å; G666-Y668 VanDerWaalsContact C-N 3.34Å; G666-Y668 PolarHBondContact O-N 3.28Å; G666-Q669 PolarHBondContact O-N 3.46Å; G666-L670 WeakPolarHBondContact O-CB 2.74Å; G666-L670 WeakPolarHBondContact O-CG 3.37Å; G666-L670 PolarHBondContact O-N 3.14Å
667L82.4Confident75.6Confident6 Ų653 Ų533%0.03129%0.293CS..Hα-helixtrans-53.1-49.5178.1179.167.4000111.5E350 A628 K663 L664 L670 S671E350-L667 HydrophobicContact CB-CD2 4.39Å; E350-L667 HydrophobicContact CG-CD1 4.21Å; E350-L667 HydrophobicContact CG-CD2 4.11Å; A628-L667 HydrophobicContact CB-CD2 4.09Å; K663-L667 PolarHBondContact O-N 3.15Å; L664-L667 PolarHBondContact O-N 3.31Å; L667-L670 PolarHBondContact O-N 3.47Å; L667-S671 WeakPolarHBondContact O-CB 3.22Å; L667-S671 PolarHBondContact O-N 3.18Å; L667-S671 PolarHBondContact O-OG 3.1Å
668Y83.1Confident74Confident7 Ų757.7 Ų57.73%0.02731%0.314CS..Hα-helixtrans-72.2-35-179.1-60.8-48.5000113.1I389 V390 P391 R485 F626 L664 G666 L672I389-Y668 HydrophobicContact CG2-CD2 4.24Å; I389-Y668 WeakPolarHBondContact O-CD2 3.24Å; V390-Y668 HydrophobicContact CB-CE2 4.27Å; V390-Y668 HydrophobicContact CG1-CE2 4.49Å; V390-Y668 HydrophobicContact CG2-CE2 3.99Å; P391-Y668 VanDerWaalsContact CD-CD2 3.49Å; P391-Y668 HydrophobicContact CG-CD1 3.88Å; P391-Y668 HydrophobicContact CG-CD2 4.44Å; P391-Y668 HydrophobicContact CG-CE1 4.22Å; P391-Y668 HydrophobicContact CG-CG 4.01Å; R485-Y668 HydrophobicContact CB-CE1 4.26Å; R485-Y668 PolarHBondContact O-OH 2.95Å; F626-Y668 HydrophobicContact CD2-CD1 4.43Å; F626-Y668 HydrophobicContact CE2-CD1 4.02Å; F626-Y668 HydrophobicContact CE2-CE1 4.36Å; L664-Y668 HydrophobicContact CB-CD2 4.45Å; L664-Y668 HydrophobicContact CB-CE2 4.08Å; L664-Y668 HydrophobicContact CD2-CE2 4.18Å; L664-Y668 WeakPolarHBondContact O-CD2 3.31Å; L664-Y668 PolarHBondContact O-N 3Å; G666-Y668 VanDerWaalsContact C-N 3.34Å; G666-Y668 PolarHBondContact O-N 3.28Å; Y668-L672 WeakPolarHBondContact O-CB 3.19Å; Y668-L672 WeakPolarHBondContact O-CD1 3.46Å; Y668-L672 WeakPolarHBondContact O-CG 3.49Å; Y668-L672 PolarHBondContact O-N 3.46Å
669Q78.6Confident72.6Confident131 Ų13160.9 Ų60.961%0.61232%0.319SS*.Hα-helixtrans-62.9-42.8172.9-75.6172.732.200111.8S665 G666 S673S665-Q669 VanDerWaalsContact O-CB 3.32Å; S665-Q669 WeakPolarHBondContact O-CB 3.49Å; S665-Q669 WeakPolarHBondContact O-CG 3.26Å; S665-Q669 PolarHBondContact O-N 2.57Å; S665-Q669 PolarHBondContact OG-NE2 3.33Å; G666-Q669 PolarHBondContact O-N 3.46Å; Q669-S673 WeakPolarHBondContact O-CB 3.39Å; Q669-S673 PolarHBondContact O-N 3.34Å
670L71.6Confident70.9Confident120 Ų12064.4 Ų64.463%0.62834%0.335SS*.Hα-helixtrans-63.1-55.6176.8-71.9168.6000111G666 L667 L672 S673 V674G666-L670 WeakPolarHBondContact O-CB 2.74Å; G666-L670 WeakPolarHBondContact O-CG 3.37Å; G666-L670 PolarHBondContact O-N 3.14Å; L667-L670 PolarHBondContact O-N 3.47Å; L670-L672 PolarHBondContact O-N 2.92Å; L670-S673 WeakPolarHBondContact O-CB 3.43Å; L670-S673 PolarHBondContact O-N 2.97Å; L670-S673 VanDerWaalsContact O-N 3.1Å; L670-S673 PolarHBondContact O-OG 2.94Å; L670-V674 PolarHBondContact O-N 3.41Å
671S68.9Low69.4Low10 Ų1069.2 Ų69.27%0.0736%0.36CS..Hα-helixtrans-62.4-42.7-178.4-64.50000113F626 L667 S673 V674 I675F626-S671 VanDerWaalsContact CD2-CB 3.48Å; F626-S671 WeakPolarHBondContact CD2-OG 3.17Å; L667-S671 WeakPolarHBondContact O-CB 3.22Å; L667-S671 PolarHBondContact O-N 3.18Å; L667-S671 PolarHBondContact O-OG 3.1Å; S671-S673 PolarHBondContact O-N 3.27Å; S671-V674 PolarHBondContact O-N 3.29Å; S671-I675 VanDerWaalsContact O-CD1 3.3Å; S671-I675 WeakPolarHBondContact O-CD1 3.47Å; S671-I675 VanDerWaalsContact O-CG1 3.22Å; S671-I675 WeakPolarHBondContact O-CG1 3.33Å; S671-I675 PolarHBondContact O-N 2.7Å
672L65.2Low67.5Low72 Ų7272.7 Ų72.738%0.37738%0.375SS..Hα-helixtrans-60.4-34.8174.7-71.9169.4000112Y668 L670 V674 I675 C676Y668-L672 WeakPolarHBondContact O-CB 3.19Å; Y668-L672 WeakPolarHBondContact O-CD1 3.46Å; Y668-L672 WeakPolarHBondContact O-CG 3.49Å; Y668-L672 PolarHBondContact O-N 3.46Å; L670-L672 PolarHBondContact O-N 2.92Å; L672-V674 VanDerWaalsContact C-N 3.29Å; L672-V674 PolarHBondContact O-N 3.05Å; L672-I675 PolarHBondContact O-N 3.23Å; L672-C676 WeakPolarHBondContact O-CB 3.39Å; L672-C676 PolarHBondContact O-N 2.93Å; L672-C676 PolarHBondContact O-SG 3.41Å
673S60.8Low65.7Low52 Ų5274.2 Ų74.236%0.36438%0.375SS..Hα-helixtrans-67.8-26.5175.786.40000113.8Q669 L670 S671 K677Q669-S673 WeakPolarHBondContact O-CB 3.39Å; Q669-S673 PolarHBondContact O-N 3.34Å; L670-S673 WeakPolarHBondContact O-CB 3.43Å; L670-S673 PolarHBondContact O-N 2.97Å; L670-S673 VanDerWaalsContact O-N 3.1Å; L670-S673 PolarHBondContact O-OG 2.94Å; S671-S673 PolarHBondContact O-N 3.27Å; S673-K677 VanDerWaalsContact O-CD 3.26Å; S673-K677 WeakPolarHBondContact O-CD 3.42Å; S673-K677 WeakPolarHBondContact O-CE 3.26Å; S673-K677 VanDerWaalsContact O-CG 3.27Å; S673-K677 WeakPolarHBondContact O-CG 3.44Å
674V58.5Low64.3Low71 Ų7177.3 Ų77.343%0.4339%0.389SS..Hα-helixtrans-79.6-47.5174.7177.10000110.1L670 S671 L672 C676 K677 Q678L670-V674 PolarHBondContact O-N 3.41Å; S671-V674 PolarHBondContact O-N 3.29Å; L672-V674 VanDerWaalsContact C-N 3.29Å; L672-V674 PolarHBondContact O-N 3.05Å; V674-C676 PolarHBondContact O-N 3Å; V674-K677 WeakPolarHBondContact O-CB 3.27Å; V674-K677 PolarHBondContact O-N 3.22Å; V674-K677 VanDerWaalsContact O-N 3.13Å; V674-Q678 PolarHBondContact O-N 3.1Å
675I58.2Low62.8Low39 Ų3984.6 Ų84.620%0.242%0.423CS..Hα-helixtrans-60.3-46.7-179.7-65.3157.8000111F626 S671 L672 K677 Q678 F679F626-I675 HydrophobicContact CD1-CD1 4.26Å; F626-I675 HydrophobicContact CE1-CD1 3.26Å; F626-I675 HydrophobicContact CE1-CG1 4.29Å; F626-I675 HydrophobicContact CE2-CD1 4.41Å; F626-I675 HydrophobicContact CZ-CD1 3.34Å; S671-I675 VanDerWaalsContact O-CD1 3.3Å; S671-I675 WeakPolarHBondContact O-CD1 3.47Å; S671-I675 VanDerWaalsContact O-CG1 3.22Å; S671-I675 WeakPolarHBondContact O-CG1 3.33Å; S671-I675 PolarHBondContact O-N 2.7Å; L672-I675 PolarHBondContact O-N 3.23Å; I675-K677 VanDerWaalsContact C-N 3.29Å; I675-K677 PolarHBondContact O-N 3.24Å; I675-Q678 PolarHBondContact O-N 3.45Å; I675-Q678 VanDerWaalsContact O-N 3.14Å; I675-F679 HydrophobicContact CG2-CD2 3.61Å; I675-F679 HydrophobicContact CG2-CE2 3.7Å; I675-F679 WeakPolarHBondContact O-CD2 3.14Å; I675-F679 PolarHBondContact O-N 2.92Å
676C55.5Low61.3Low66 Ų6691.1 Ų91.145%0.44645%0.446SS..Hα-helixtrans-59.8-38.6176.6-71.20000112.1L672 V674 F679 D680L672-C676 WeakPolarHBondContact O-CB 3.39Å; L672-C676 PolarHBondContact O-N 2.93Å; L672-C676 PolarHBondContact O-SG 3.41Å; V674-C676 PolarHBondContact O-N 3Å; C676-F679 PolarHBondContact O-N 2.87Å; C676-D680 WeakPolarHBondContact O-CB 3.42Å; C676-D680 PolarHBondContact O-N 3.14Å
677K52.8Low59.6Low133 Ų13398.9 Ų98.958%0.57848%0.48SS*.Hα-helixtrans-66.2-40.4174.8-70.6167.8-172.1166.30112.1S673 V674 I675 D680 L681S673-K677 VanDerWaalsContact O-CD 3.26Å; S673-K677 WeakPolarHBondContact O-CD 3.42Å; S673-K677 WeakPolarHBondContact O-CE 3.26Å; S673-K677 VanDerWaalsContact O-CG 3.27Å; S673-K677 WeakPolarHBondContact O-CG 3.44Å; V674-K677 WeakPolarHBondContact O-CB 3.27Å; V674-K677 PolarHBondContact O-N 3.22Å; V674-K677 VanDerWaalsContact O-N 3.13Å; I675-K677 VanDerWaalsContact C-N 3.29Å; I675-K677 PolarHBondContact O-N 3.24Å; K677-D680 PolarHBondContact O-N 2.91Å; K677-L681 WeakPolarHBondContact O-CB 3.44Å; K677-L681 VanDerWaalsContact O-CG 3.26Å; K677-L681 WeakPolarHBondContact O-CG 3.35Å; K677-L681 PolarHBondContact O-N 2.9Å
678Q51.5Low58.5Low105 Ų105103.5 Ų103.549%0.49150%0.503SS..Hα-helixtrans-66.9-41.2176.2-74.9175.6-48.400112.1V674 I675 L681 Q682V674-Q678 PolarHBondContact O-N 3.1Å; I675-Q678 PolarHBondContact O-N 3.45Å; I675-Q678 VanDerWaalsContact O-N 3.14Å; Q678-L681 PolarHBondContact O-N 2.94Å; Q678-Q682 PolarHBondContact O-N 3.48Å
679F52.7Low57.2Low136 Ų136108.6 Ų108.660%0.59653%0.528SS*.Hα-helixtrans-66.4-40.6173.8-87.2-74.5000112.4I675 C676 L681 Q682 R683I675-F679 HydrophobicContact CG2-CD2 3.61Å; I675-F679 HydrophobicContact CG2-CE2 3.7Å; I675-F679 WeakPolarHBondContact O-CD2 3.14Å; I675-F679 PolarHBondContact O-N 2.92Å; C676-F679 PolarHBondContact O-N 2.87Å; F679-L681 VanDerWaalsContact C-N 3.31Å; F679-L681 PolarHBondContact O-N 3.46Å; F679-Q682 PolarHBondContact O-N 2.86Å; F679-R683 WeakPolarHBondContact O-CB 3.26Å; F679-R683 PolarHBondContact O-N 3.47Å
680D50.3Low56Low89 Ų89107.3 Ų107.348%0.47652%0.523SS..Hα-helixtrans-65.1-33.2174.2-86.2-17.7000112.5C676 K677 K684C676-D680 WeakPolarHBondContact O-CB 3.42Å; C676-D680 PolarHBondContact O-N 3.14Å; K677-D680 PolarHBondContact O-N 2.91Å; D680-K684 WeakPolarHBondContact O-CB 3.22Å; D680-K684 WeakPolarHBondContact O-CD 3.48Å; D680-K684 VanDerWaalsContact O-CG 3.22Å; D680-K684 WeakPolarHBondContact O-CG 3.45Å; D680-K684 PolarHBondContact O-N 2.87Å; D680-K684 VanDerWaalsContact O-N 3.1Å
681L51.5Low55Low101 Ų101106.6 Ų106.653%0.52952%0.517SS..Hα-helixtrans-67.8-55.2172.1-75.8165.7000111.1K677 Q678 F679 R683 K684 E685K677-L681 WeakPolarHBondContact O-CB 3.44Å; K677-L681 VanDerWaalsContact O-CG 3.26Å; K677-L681 WeakPolarHBondContact O-CG 3.35Å; K677-L681 PolarHBondContact O-N 2.9Å; Q678-L681 PolarHBondContact O-N 2.94Å; F679-L681 VanDerWaalsContact C-N 3.31Å; F679-L681 PolarHBondContact O-N 3.46Å; L681-R683 PolarHBondContact O-N 2.89Å; L681-R683 VanDerWaalsContact O-N 3.14Å; L681-K684 CarbonylContact O-C 3.54Å; L681-K684 WeakPolarHBondContact O-CA 3.47Å; L681-K684 WeakPolarHBondContact O-CB 3.42Å; L681-K684 PolarHBondContact O-N 3.13Å; L681-E685 WeakPolarHBondContact O-CG 3.38Å; L681-E685 PolarHBondContact O-N 3.35Å
682Q48.7Very low54.2Low99 Ų99112.6 Ų112.646%0.46355%0.545SS..Hα-helixtrans-60-28.1177.7-73.1-169.65.800113.3Q678 F679 K686Q678-Q682 PolarHBondContact O-N 3.48Å; F679-Q682 PolarHBondContact O-N 2.86Å; Q682-K686 WeakPolarHBondContact O-CB 3.27Å; Q682-K686 WeakPolarHBondContact O-CG 3.44Å; Q682-K686 PolarHBondContact O-N 2.97Å
683R48.8Very low53.4Low173 Ų173115.3 Ų115.365%0.65356%0.556SS**Hα-helixtrans-76.2-29.7174.6-166.3175.4-171.2-1783.6112.4F679 L681 L687F679-R683 WeakPolarHBondContact O-CB 3.26Å; F679-R683 PolarHBondContact O-N 3.47Å; L681-R683 PolarHBondContact O-N 2.89Å; L681-R683 VanDerWaalsContact O-N 3.14Å; R683-L687 HydrophobicContact CG-CD1 4.25Å; R683-L687 WeakPolarHBondContact O-CB 3.42Å; R683-L687 WeakPolarHBondContact O-CD1 3.49Å; R683-L687 VanDerWaalsContact O-CG 3.27Å; R683-L687 WeakPolarHBondContact O-CG 3.26Å; R683-L687 PolarHBondContact O-N 3.49Å
684K54.8Low52.9Low150 Ų150119.9 Ų119.965%0.65257%0.57SS**Hα-helixtrans-79.7-17.1170-73168.3-176.4172.20113.7D680 L681D680-K684 WeakPolarHBondContact O-CB 3.22Å; D680-K684 WeakPolarHBondContact O-CD 3.48Å; D680-K684 VanDerWaalsContact O-CG 3.22Å; D680-K684 WeakPolarHBondContact O-CG 3.45Å; D680-K684 PolarHBondContact O-N 2.87Å; D680-K684 VanDerWaalsContact O-N 3.1Å; L681-K684 CarbonylContact O-C 3.54Å; L681-K684 WeakPolarHBondContact O-CA 3.47Å; L681-K684 WeakPolarHBondContact O-CB 3.42Å; L681-K684 PolarHBondContact O-N 3.13Å
685E55.3Low52.5Low153 Ų153123.6 Ų123.672%0.71558%0.58SS**SBendtrans-87.6-12170.6-68174.4150.400112.7L681L681-E685 WeakPolarHBondContact O-CG 3.38Å; L681-E685 PolarHBondContact O-N 3.35Å
686K53.6Low52Low172 Ų172130.7 Ų130.775%0.74861%0.612SS**  trans-108.86.8176.8-73.6177.5177.8172.20113.8Q682Q682-K686 WeakPolarHBondContact O-CB 3.27Å; Q682-K686 WeakPolarHBondContact O-CG 3.44Å; Q682-K686 PolarHBondContact O-N 2.97Å
687L48.7Very low51.7Low191 Ų191136.5 Ų136.5100%163%0.627SS**  trans-120.50177-78.5172.6000109.9R683R683-L687 HydrophobicContact CG-CD1 4.25Å; R683-L687 WeakPolarHBondContact O-CB 3.42Å; R683-L687 WeakPolarHBondContact O-CD1 3.49Å; R683-L687 VanDerWaalsContact O-CG 3.27Å; R683-L687 WeakPolarHBondContact O-CG 3.26Å; R683-L687 PolarHBondContact O-N 3.49Å

Retrieved 687 of 687 residues in 670.2 ms (Link to these results)

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