A0A3Q0KJS0_SCHMA Loading...

Queuine tRNA-ribosyltransferase accessory subunit 2

Non-catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine).

AlphaFold DB , UniProt , Accession A0A3Q0KJS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 435 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
1M72Confident88Confident153 Ų15374.8 Ų74.875%0.75442%0.418SS*.  0132.30-87.5-161-65.400105.8K3 E21M1-K3 PolarHBondContact O-N 3.23Å; M1-E21 WeakPolarHBondContact CA-OE2 2.95Å; M1-E21 VanDerWaalsContact N-CD 3.29Å; M1-E21 PolarHBondContact N-OE1 2.67Å; M1-E21 PolarHBondContact N-OE2 3.21Å
2V85.3Confident87.2Confident18 Ų1881.6 Ų81.611%0.10944%0.444CS..  trans-65.5123.4-171.8179.30000108L19 E21 I141 V142 S191V2-L19 HydrophobicContact CG1-CD1 3.27Å; V2-L19 HydrophobicContact CG1-CD2 3.92Å; V2-L19 HydrophobicContact CG1-CG 3.51Å; V2-E21 WeakPolarHBondContact CA-OE2 3.4Å; V2-E21 HydrophobicContact CG2-CB 4.47Å; V2-E21 WeakPolarHBondContact CG2-OE2 3.49Å; V2-E21 PolarHBondContact N-OE2 2.94Å; V2-I141 HydrophobicContact CG2-CB 4.25Å; V2-I141 HydrophobicContact CG2-CD1 3.98Å; V2-I141 HydrophobicContact CG2-CG1 4.46Å; V2-V142 HydrophobicContact CG2-CB 4.17Å; V2-S191 PolarHBondContact N-OG 3.34Å
3K90.7Very high87Confident114 Ų11482 Ų8250%0.49644%0.435SS..EExtended strand (participates in β ladder)trans-102.8133.7179.1-172.1-176.1-177.1-132.30108.9M1 D5 L19 S20M1-K3 PolarHBondContact O-N 3.23Å; K3-D5 WeakPolarHBondContact CE-OD1 3.01Å; K3-D5 WeakPolarHBondContact CE-OD2 3.31Å; K3-D5 IonicContact NZ-OD1 3.92Å; K3-D5 PolarHBondContact NZ-OD1 3.41Å; K3-D5 IonicContact NZ-OD2 3.16Å; K3-D5 PolarHBondContact NZ-OD2 3.37Å; K3-L19 CarbonylContact O-C 3.51Å; K3-L19 WeakPolarHBondContact O-CA 3.29Å; K3-S20 PolarHBondContact N-O 3.32Å; K3-S20 PolarHBondContact O-N 2.91Å
4F95Very high87.3Confident20 Ų2077.5 Ų77.59%0.08841%0.411CS..EExtended strand (participates in β ladder)trans-117.8117.5172.5-173.7-136.5000110.4V6 K18 L19 T32 P266 D287F4-V6 HydrophobicContact CE1-CG2 4.27Å; F4-K18 WeakPolarHBondContact CD2-O 3.44Å; F4-L19 HydrophobicContact CB-CD1 4.06Å; F4-L19 HydrophobicContact CD2-CD1 4.13Å; F4-L19 HydrophobicContact CG-CD1 4.41Å; F4-T32 HydrophobicContact CE2-CG2 3.8Å; F4-T32 WeakPolarHBondContact CE2-OG1 3.39Å; F4-T32 HydrophobicContact CZ-CG2 4.39Å; F4-P266 HydrophobicContact CB-CB 4.2Å; F4-P266 HydrophobicContact CB-CG 4.02Å; F4-P266 VanDerWaalsContact CD1-CA 3.42Å; F4-P266 HydrophobicContact CD1-CB 3.58Å; F4-P266 HydrophobicContact CD1-CG 4.14Å; F4-P266 VanDerWaalsContact CD1-N 3.29Å; F4-P266 HydrophobicContact CD2-CB 4.15Å; F4-P266 VanDerWaalsContact CE1-CA 3.42Å; F4-P266 HydrophobicContact CE1-CB 3.78Å; F4-P266 HydrophobicContact CE2-CB 4.46Å; F4-P266 HydrophobicContact CG-CB 3.75Å; F4-P266 HydrophobicContact CG-CG 4.13Å; F4-P266 HydrophobicContact CZ-CB 4.29Å; F4-D287 WeakPolarHBondContact CE1-OD2 3.34Å; F4-D287 HydrophobicContact CZ-CB 3.93Å; F4-D287 VanDerWaalsContact CZ-CG 3.43Å; F4-D287 WeakPolarHBondContact CZ-OD1 3.28Å
5D95.1Very high87.9Confident51 Ų5173.1 Ų73.127%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-104.7120.1176.6-67.9-53.8000108.8K3 L7 G17 K18K3-D5 WeakPolarHBondContact CE-OD1 3.01Å; K3-D5 WeakPolarHBondContact CE-OD2 3.31Å; K3-D5 IonicContact NZ-OD1 3.92Å; K3-D5 PolarHBondContact NZ-OD1 3.41Å; K3-D5 IonicContact NZ-OD2 3.16Å; K3-D5 PolarHBondContact NZ-OD2 3.37Å; D5-L7 HydrophobicContact CB-CD2 4.36Å; D5-L7 PolarHBondContact O-N 2.91Å; D5-G17 CarbonylContact O-C 3.58Å; D5-G17 WeakPolarHBondContact O-CA 3.35Å; D5-K18 PolarHBondContact N-O 2.84Å; D5-K18 PolarHBondContact O-N 2.9Å
6V93.7Very high88.4Confident52 Ų5269.8 Ų69.832%0.31537%0.369SS..EExtended strand (participates in β ladder)trans-83.2113.2168.3-172.90000107.4F4 T9 R15F4-V6 HydrophobicContact CE1-CG2 4.27Å; V6-T9 HydrophobicContact CG1-CG2 3.68Å; V6-R15 HydrophobicContact CG1-CG 4.47Å
7L92.2Very high88.9Confident113 Ų11365.8 Ų65.859%0.59235%0.349SS*.EExtended strand (participates in β ladder)trans-84.8-44.2-176.3-58.4177.6000110.9D5 L16 K18D5-L7 HydrophobicContact CB-CD2 4.36Å; D5-L7 PolarHBondContact O-N 2.91Å; L7-L16 WeakPolarHBondContact CA-O 3.37Å; L7-L16 WeakPolarHBondContact CB-O 3.35Å; L7-L16 PolarHBondContact N-O 3.22Å; L7-K18 HydrophobicContact CD1-CB 4.33Å
8L90.6Very high89.4Confident93 Ų9365.8 Ų65.849%0.48735%0.345SS..EExtended strand (participates in β ladder)trans-145.3144.5179.8-67.9165000109.8F10 L16L8-F10 HydrophobicContact CB-CD2 4.28Å; L8-F10 HydrophobicContact CB-CE2 3.65Å; L8-F10 HydrophobicContact CB-CZ 4.35Å; L8-F10 HydrophobicContact CD1-CE2 4.02Å; L8-F10 HydrophobicContact CD1-CZ 4.09Å; L8-F10 HydrophobicContact CG-CE2 4.41Å; L8-L16 HydrophobicContact CB-CB 4.26Å; L8-L16 HydrophobicContact CD1-CD1 4.24Å; L8-L16 PolarHBondContact N-O 3.1Å; L8-L16 VanDerWaalsContact N-O 3.08Å; L8-L16 PolarHBondContact O-N 3.25Å
9T88.8Confident89.7Confident101 Ų10162.3 Ų62.362%0.6233%0.327SS*.EExtended strand (participates in β ladder)trans-117.1133.5168.752.30000109.2V6 M14 R15V6-T9 HydrophobicContact CG1-CG2 3.68Å; T9-M14 CarbonylContact C-O 3.58Å; T9-M14 VanDerWaalsContact CA-O 3.26Å; T9-M14 WeakPolarHBondContact CA-O 3.27Å; T9-R15 HydrophobicContact CG2-CG 4.37Å
10F84.4Confident90Very high41 Ų4159.7 Ų59.718%0.1831%0.314CS..EExtended strand (participates in β ladder)trans-120.3136.4177.3-68.1-93.1000110L8 M14 L16 I394 A395 N397L8-F10 HydrophobicContact CB-CD2 4.28Å; L8-F10 HydrophobicContact CB-CE2 3.65Å; L8-F10 HydrophobicContact CB-CZ 4.35Å; L8-F10 HydrophobicContact CD1-CE2 4.02Å; L8-F10 HydrophobicContact CD1-CZ 4.09Å; L8-F10 HydrophobicContact CG-CE2 4.41Å; F10-M14 HydrophobicContact CB-CB 4.16Å; F10-M14 HydrophobicContact CB-CE 3.86Å; F10-M14 PolarHBondContact N-O 3.25Å; F10-M14 WeakPolarHBondContact O-CB 3.24Å; F10-M14 WeakPolarHBondContact O-CE 3.35Å; F10-M14 PolarHBondContact O-N 3.03Å; F10-M14 VanDerWaalsContact O-N 3.16Å; F10-L16 HydrophobicContact CE2-CD1 3.93Å; F10-L16 HydrophobicContact CE2-CG 4.38Å; F10-I394 HydrophobicContact CD2-CG2 3.66Å; F10-I394 HydrophobicContact CE2-CG2 4.18Å; F10-I394 HydrophobicContact CG-CG2 4.35Å; F10-A395 WeakPolarHBondContact CZ-O 3.48Å; F10-N397 HydrophobicContact CD1-CB 4.08Å; F10-N397 HydrophobicContact CE1-CB 4.37Å
11G80.7Confident90Very high67 Ų6758 Ų5869%0.69131%0.305SS*.THydrogen-bonded Turntrans55.9-146.2-172.200000111.6
12E77.9Confident90.6Very high156 Ų15654.6 Ų54.673%0.72930%0.296SS*.THydrogen-bonded Turntrans-81.1-32.2179.7-67.5-174.7153.200113.5
13W85.2Confident90.2Very high87 Ų8756.2 Ų56.233%0.3330%0.303SS..THydrogen-bonded Turntrans-127-26-161.9-47.4115.4000115.7P255 A259 G285W13-P255 HydrophobicContact CD2-CB 4.33Å; W13-P255 HydrophobicContact CG-CB 4.17Å; W13-A259 HydrophobicContact CE3-CB 4.27Å; W13-A259 HydrophobicContact CH2-CB 3.43Å; W13-A259 VanDerWaalsContact CH2-CB 3.43Å; W13-A259 HydrophobicContact CZ3-CB 3.29Å; W13-G285 WeakPolarHBondContact O-CA 3.45Å
14M91.3Very high89.3Confident19 Ų1957.1 Ų57.19%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-76.1140.4-169.7-61.6178.6-81.200111.6T9 F10 R283 I394 I399T9-M14 CarbonylContact C-O 3.58Å; T9-M14 VanDerWaalsContact CA-O 3.26Å; T9-M14 WeakPolarHBondContact CA-O 3.27Å; F10-M14 HydrophobicContact CB-CB 4.16Å; F10-M14 HydrophobicContact CB-CE 3.86Å; F10-M14 PolarHBondContact N-O 3.25Å; F10-M14 WeakPolarHBondContact O-CB 3.24Å; F10-M14 WeakPolarHBondContact O-CE 3.35Å; F10-M14 PolarHBondContact O-N 3.03Å; F10-M14 VanDerWaalsContact O-N 3.16Å; M14-R283 HydrophobicContact CG-CG 4.38Å; M14-R283 VanDerWaalsContact CG-O 3.28Å; M14-R283 WeakPolarHBondContact CG-O 3.36Å; M14-R283 HydrophobicContact SD-CG 4.21Å; M14-I394 HydrophobicContact CB-CG2 4.25Å; M14-I399 HydrophobicContact CE-CG2 4.16Å; M14-I399 HydrophobicContact SD-CB 4Å; M14-I399 HydrophobicContact SD-CG1 4.31Å; M14-I399 HydrophobicContact SD-CG2 3.48Å; M14-I399 WeakPolarHBondContact SD-CG2 3.45Å
15R95.1Very high88.4Confident11 Ų1165.6 Ų65.64%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-134.5124.9-172.5-66.5155.864.4104.713110.2V6 T9 P33 P263 D287V6-R15 HydrophobicContact CG1-CG 4.47Å; T9-R15 HydrophobicContact CG2-CG 4.37Å; R15-P33 WeakPolarHBondContact O-CD 3.41Å; R15-P263 PolarHBondContact NH1-O 3.17Å; R15-P263 PolarHBondContact NH2-O 3.23Å; R15-D287 IonicContact NE-OD1 3.34Å; R15-D287 PolarHBondContact NE-OD1 3.02Å; R15-D287 VanDerWaalsContact NE-OD1 3.16Å; R15-D287 IonicContact NE-OD2 3.66Å
16L97.2Very high87.8Confident20 Ų2067.6 Ų67.611%0.10536%0.363CS..EExtended strand (participates in β ladder)trans-96.6126.8156.9-67.9178.4000108L7 L8 F10 T32 R391 I394 A395L7-L16 WeakPolarHBondContact CA-O 3.37Å; L7-L16 WeakPolarHBondContact CB-O 3.35Å; L7-L16 PolarHBondContact N-O 3.22Å; L8-L16 HydrophobicContact CB-CB 4.26Å; L8-L16 HydrophobicContact CD1-CD1 4.24Å; L8-L16 PolarHBondContact N-O 3.1Å; L8-L16 VanDerWaalsContact N-O 3.08Å; L8-L16 PolarHBondContact O-N 3.25Å; F10-L16 HydrophobicContact CE2-CD1 3.93Å; F10-L16 HydrophobicContact CE2-CG 4.38Å; L16-T32 WeakPolarHBondContact CA-O 3.19Å; L16-R391 HydrophobicContact CD2-CB 4.15Å; L16-R391 HydrophobicContact CD2-CG 4.25Å; L16-I394 HydrophobicContact CD1-CG2 4.3Å; L16-I394 HydrophobicContact CD2-CB 4.03Å; L16-I394 HydrophobicContact CD2-CG2 3.95Å; L16-I394 HydrophobicContact CG-CB 4.34Å; L16-I394 HydrophobicContact CG-CG2 3.76Å; L16-A395 HydrophobicContact CD1-CB 3.69Å
17G97Very high87.7Confident3 Ų370.3 Ų70.33%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-146.7-175.5-176.500000112.6D5 T32D5-G17 CarbonylContact O-C 3.58Å; D5-G17 WeakPolarHBondContact O-CA 3.35Å; G17-T32 VanDerWaalsContact C-OG1 3.25Å; G17-T32 WeakPolarHBondContact CA-OG1 3.48Å; G17-T32 PolarHBondContact N-O 2.71Å; G17-T32 PolarHBondContact N-OG1 3.45Å; G17-T32 PolarHBondContact O-N 3.19Å; G17-T32 PolarHBondContact O-OG1 2.72Å
18K96.9Very high87.8Confident65 Ų6565 Ų6528%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-145.9119.2179.3-174.8-179.6177.6-169.90109.5F4 D5 L7 N29 L30F4-K18 WeakPolarHBondContact CD2-O 3.44Å; D5-K18 PolarHBondContact N-O 2.84Å; D5-K18 PolarHBondContact O-N 2.9Å; L7-K18 HydrophobicContact CD1-CB 4.33Å; K18-N29 VanDerWaalsContact CE-CB 3.42Å; K18-N29 WeakPolarHBondContact CE-OD1 3.35Å; K18-N29 PolarHBondContact NZ-OD1 2.78Å; K18-N29 VanDerWaalsContact NZ-OD1 3.13Å; K18-L30 CarbonylContact C-O 3.6Å; K18-L30 WeakPolarHBondContact CA-O 3.47Å
19L95.9Very high88Confident0 Ų062.7 Ų62.70%033%0.333CS..EExtended strand (participates in β ladder)trans-83.6134.4165.4-160.172.8000108.4V2 K3 F4 N29 L30 F61 P266 F268 I288V2-L19 HydrophobicContact CG1-CD1 3.27Å; V2-L19 HydrophobicContact CG1-CD2 3.92Å; V2-L19 HydrophobicContact CG1-CG 3.51Å; K3-L19 CarbonylContact O-C 3.51Å; K3-L19 WeakPolarHBondContact O-CA 3.29Å; F4-L19 HydrophobicContact CB-CD1 4.06Å; F4-L19 HydrophobicContact CD2-CD1 4.13Å; F4-L19 HydrophobicContact CG-CD1 4.41Å; L19-N29 CarbonylContact O-C 3.58Å; L19-N29 VanDerWaalsContact O-CA 3.28Å; L19-N29 WeakPolarHBondContact O-CA 3.26Å; L19-L30 HydrophobicContact CB-CB 4.22Å; L19-L30 PolarHBondContact N-O 2.89Å; L19-L30 PolarHBondContact O-N 2.98Å; L19-F61 HydrophobicContact CB-CZ 4.45Å; L19-F61 HydrophobicContact CD2-CD1 3.66Å; L19-F61 HydrophobicContact CD2-CE1 3.42Å; L19-F61 VanDerWaalsContact CD2-CE1 3.42Å; L19-F61 HydrophobicContact CD2-CG 4.37Å; L19-F61 HydrophobicContact CD2-CZ 3.95Å; L19-F61 HydrophobicContact CG-CE1 3.99Å; L19-F61 HydrophobicContact CG-CZ 4.08Å; L19-P266 HydrophobicContact CD1-CB 4.18Å; L19-P266 HydrophobicContact CD1-CG 3.98Å; L19-F268 HydrophobicContact CD2-CZ 4.22Å; L19-I288 HydrophobicContact CB-CD1 4.36Å; L19-I288 HydrophobicContact CD1-CD1 4.44Å; L19-I288 HydrophobicContact CD2-CD1 3.75Å; L19-I288 HydrophobicContact CG-CD1 4.42Å
20S94.9Very high88.4Confident10 Ų1058.5 Ų58.57%0.0731%0.307CS..EExtended strand (participates in β ladder)trans-144.1149.6177.460.80000112.2K3 I28 N29K3-S20 PolarHBondContact N-O 3.32Å; K3-S20 PolarHBondContact O-N 2.91Å; S20-I28 VanDerWaalsContact CA-O 3.3Å; S20-I28 WeakPolarHBondContact CA-O 3.11Å; S20-N29 VanDerWaalsContact CB-OD1 3.26Å; S20-N29 WeakPolarHBondContact CB-OD1 3.47Å
21E90.8Very high89.1Confident25 Ų2562 Ų6212%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-146.3148.6173.9179.862.5-94.700108.7M1 V2 I23 I28 F61 I141M1-E21 WeakPolarHBondContact CA-OE2 2.95Å; M1-E21 VanDerWaalsContact N-CD 3.29Å; M1-E21 PolarHBondContact N-OE1 2.67Å; M1-E21 PolarHBondContact N-OE2 3.21Å; V2-E21 WeakPolarHBondContact CA-OE2 3.4Å; V2-E21 HydrophobicContact CG2-CB 4.47Å; V2-E21 WeakPolarHBondContact CG2-OE2 3.49Å; V2-E21 PolarHBondContact N-OE2 2.94Å; E21-I23 HydrophobicContact CG-CG1 3.95Å; E21-I28 HydrophobicContact CB-CD1 4.34Å; E21-I28 HydrophobicContact CB-CG1 4.07Å; E21-I28 PolarHBondContact N-O 3.34Å; E21-I28 VanDerWaalsContact N-O 3.13Å; E21-I28 WeakPolarHBondContact O-CG1 3.34Å; E21-I28 PolarHBondContact O-N 3.47Å; E21-F61 HydrophobicContact CB-CZ 4.36Å; E21-I141 HydrophobicContact CG-CG2 4.27Å
22S85.1Confident89.9Confident81 Ų8158.9 Ų58.957%0.56629%0.291SS*.EExtended strand (participates in β ladder)trans-107.5113.6174.6-64.40000109.5L26S22-L26 WeakPolarHBondContact CA-O 3.39Å
23I75.5Confident90.9Very high51 Ų5151.5 Ų51.526%0.26226%0.256SS..EExtended strand (participates in β ladder)trans-115.5113.9179.8-53.3176.8000107.7E21 H25 L26 I28 I141E21-I23 HydrophobicContact CG-CG1 3.95Å; I23-H25 VanDerWaalsContact C-N 3.29Å; I23-H25 PolarHBondContact O-N 3.31Å; I23-L26 PolarHBondContact N-O 3.43Å; I23-L26 WeakPolarHBondContact O-CA 3.45Å; I23-L26 WeakPolarHBondContact O-CB 3.34Å; I23-L26 PolarHBondContact O-N 3.03Å; I23-I28 HydrophobicContact CD1-CD1 3.67Å; I23-I28 HydrophobicContact CD1-CG1 4.32Å; I23-I28 HydrophobicContact CG1-CD1 4.48Å; I23-I141 HydrophobicContact CD1-CG2 3.83Å; I23-I141 HydrophobicContact CG1-CG2 4.49Å
24N72.9Confident91.5Very high133 Ų13347.4 Ų47.471%0.71124%0.241SC*.THydrogen-bonded Turntrans48.747.3177.8-58.3-28000113.5L26N24-L26 PolarHBondContact O-N 2.95Å; N24-L26 VanDerWaalsContact O-N 3.16Å
25H76.1Confident91.8Very high199 Ų19946.7 Ų46.792%0.92124%0.238SC*.THydrogen-bonded Turntrans68.3-1.9-176.2-46.2-75.9000116.3I23I23-H25 VanDerWaalsContact C-N 3.29Å; I23-H25 PolarHBondContact O-N 3.31Å
26L81.9Confident92Very high93 Ų9346.1 Ų46.149%0.48724%0.236SC..EExtended strand (participates in β ladder)trans-89.1126.1167.4-93.1132.6000109.9S22 I23 N24 K91S22-L26 WeakPolarHBondContact CA-O 3.39Å; I23-L26 PolarHBondContact N-O 3.43Å; I23-L26 WeakPolarHBondContact O-CA 3.45Å; I23-L26 WeakPolarHBondContact O-CB 3.34Å; I23-L26 PolarHBondContact O-N 3.03Å; N24-L26 PolarHBondContact O-N 2.95Å; N24-L26 VanDerWaalsContact O-N 3.16Å; L26-K91 HydrophobicContact CD2-CD 4.1Å
27Q90.9Very high92Very high109 Ų10945.2 Ų45.251%0.50923%0.231SC..EExtended strand (participates in β ladder)trans-92.1120.8173.4-169.9176.53.500109.3N29Q27-N29 PolarHBondContact NE2-OD1 3.01Å
28I94.3Very high92Very high0 Ų045.3 Ų45.30%023%0.231CC..EExtended strand (participates in β ladder)trans-102.8148169.857.8169.2000110.2S20 E21 I23 E60 F61 K91 G93S20-I28 VanDerWaalsContact CA-O 3.3Å; S20-I28 WeakPolarHBondContact CA-O 3.11Å; E21-I28 HydrophobicContact CB-CD1 4.34Å; E21-I28 HydrophobicContact CB-CG1 4.07Å; E21-I28 PolarHBondContact N-O 3.34Å; E21-I28 VanDerWaalsContact N-O 3.13Å; E21-I28 WeakPolarHBondContact O-CG1 3.34Å; E21-I28 PolarHBondContact O-N 3.47Å; I23-I28 HydrophobicContact CD1-CD1 3.67Å; I23-I28 HydrophobicContact CD1-CG1 4.32Å; I23-I28 HydrophobicContact CG1-CD1 4.48Å; I28-E60 WeakPolarHBondContact CA-OE2 3.15Å; I28-E60 HydrophobicContact CB-CB 4.03Å; I28-E60 HydrophobicContact CG2-CB 4.28Å; I28-F61 HydrophobicContact CB-CE2 4.21Å; I28-F61 HydrophobicContact CD1-CD2 4.3Å; I28-F61 HydrophobicContact CD1-CE1 4.16Å; I28-F61 HydrophobicContact CD1-CE2 3.88Å; I28-F61 HydrophobicContact CD1-CZ 3.8Å; I28-F61 HydrophobicContact CG1-CE2 3.89Å; I28-F61 HydrophobicContact CG1-CZ 3.9Å; I28-K91 VanDerWaalsContact CG2-O 3.31Å; I28-K91 WeakPolarHBondContact CG2-O 3.22Å; I28-G93 VanDerWaalsContact CD1-N 3.3Å
29N95.9Very high92Very high45 Ų4542.3 Ų42.324%0.24122%0.218CC..EExtended strand (participates in β ladder)trans-141.6147.8-174.8-54.9-71.4000112.4K18 L19 S20 Q27 E60K18-N29 VanDerWaalsContact CE-CB 3.42Å; K18-N29 WeakPolarHBondContact CE-OD1 3.35Å; K18-N29 PolarHBondContact NZ-OD1 2.78Å; K18-N29 VanDerWaalsContact NZ-OD1 3.13Å; L19-N29 CarbonylContact O-C 3.58Å; L19-N29 VanDerWaalsContact O-CA 3.28Å; L19-N29 WeakPolarHBondContact O-CA 3.26Å; S20-N29 VanDerWaalsContact CB-OD1 3.26Å; S20-N29 WeakPolarHBondContact CB-OD1 3.47Å; Q27-N29 PolarHBondContact NE2-OD1 3.01Å; N29-E60 PolarHBondContact N-OE2 2.64Å
30L97.1Very high91.8Very high14 Ų1443.8 Ų43.87%0.07322%0.223CC..EExtended strand (participates in β ladder)trans-135.2120.8169.9178.666.1000109K18 L19 L36 P59 F61 I288K18-L30 CarbonylContact C-O 3.6Å; K18-L30 WeakPolarHBondContact CA-O 3.47Å; L19-L30 HydrophobicContact CB-CB 4.22Å; L19-L30 PolarHBondContact N-O 2.89Å; L19-L30 PolarHBondContact O-N 2.98Å; L30-L36 HydrophobicContact CD2-CD2 4.19Å; L30-P59 HydrophobicContact CD1-CB 4.4Å; L30-F61 HydrophobicContact CB-CD2 3.66Å; L30-F61 HydrophobicContact CB-CE2 4.01Å; L30-F61 HydrophobicContact CB-CG 4.36Å; L30-F61 HydrophobicContact CD2-CB 4.37Å; L30-I288 HydrophobicContact CD2-CD1 4.22Å; L30-I288 HydrophobicContact CD2-CG1 4.24Å; L30-I288 HydrophobicContact CD2-CG2 4.24Å
31Q97.8Very high91.3Very high115 Ų11546.1 Ų46.154%0.53723%0.231SC..EExtended strand (participates in β ladder)trans-74141.6172.4-64.6-178.1-22.500110.1
32T98Very high91Very high1 Ų145 Ų451%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-116.7142.5179.569.60000111.7F4 L16 G17 D287 I288F4-T32 HydrophobicContact CE2-CG2 3.8Å; F4-T32 WeakPolarHBondContact CE2-OG1 3.39Å; F4-T32 HydrophobicContact CZ-CG2 4.39Å; L16-T32 WeakPolarHBondContact CA-O 3.19Å; G17-T32 VanDerWaalsContact C-OG1 3.25Å; G17-T32 WeakPolarHBondContact CA-OG1 3.48Å; G17-T32 PolarHBondContact N-O 2.71Å; G17-T32 PolarHBondContact N-OG1 3.45Å; G17-T32 PolarHBondContact O-N 3.19Å; G17-T32 PolarHBondContact O-OG1 2.72Å; T32-D287 WeakPolarHBondContact CB-O 2.98Å; T32-D287 HydrophobicContact CG2-CB 4.11Å; T32-I288 HydrophobicContact CG2-CD1 4.21Å; T32-I288 HydrophobicContact CG2-CG1 3.81Å
33P98.2Very high91.3Very high0 Ų044 Ų440%022%0.22CC..SBendcis-64.7139.9-1.8-23.336000113.8R15 A282 D287 F289 L390 R391 I394R15-P33 WeakPolarHBondContact O-CD 3.41Å; P33-A282 HydrophobicContact CB-CB 4.11Å; P33-A282 HydrophobicContact CG-CB 3.95Å; P33-D287 VanDerWaalsContact CA-O 3.23Å; P33-D287 WeakPolarHBondContact CA-O 2.97Å; P33-F289 HydrophobicContact CB-CE2 4.46Å; P33-L390 HydrophobicContact CB-CD2 3.93Å; P33-L390 HydrophobicContact CB-CG 4.39Å; P33-R391 WeakPolarHBondContact O-CD 3.42Å; P33-R391 VanDerWaalsContact O-CG 3.26Å; P33-R391 WeakPolarHBondContact O-CG 3.44Å; P33-R391 PolarHBondContact O-NH1 2.81Å; P33-R391 VanDerWaalsContact O-NH1 3.16Å; P33-I394 HydrophobicContact CG-CD1 3.54Å
34G98Very high92.3Very high1 Ų141.9 Ų41.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-153.2170.3-174.800000112.5D287 I288 F289 F387G34-D287 PolarHBondContact N-O 3.23Å; G34-I288 CarbonylContact O-C 3.55Å; G34-I288 WeakPolarHBondContact O-CA 3.39Å; G34-F289 WeakPolarHBondContact O-CD2 3.46Å; G34-F289 PolarHBondContact O-N 3.08Å; G34-F387 VanDerWaalsContact C-CE1 3.49Å; G34-F387 VanDerWaalsContact CA-CD1 3.45Å
35C98.5Very high93.3Very high4 Ų436 Ų363%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-116159.1171.657.50000111.5P59 F289 Y383 F387C35-P59 WeakPolarHBondContact O-CB 3.41Å; C35-P59 WeakPolarHBondContact O-CG 3.15Å; C35-F289 WeakPolarHBondContact CA-O 3.46Å; C35-F289 HydrophobicContact CB-CB 4.41Å; C35-Y383 HydrophobicContact CB-CE1 3.77Å; C35-Y383 WeakPolarHBondContact SG-CE1 3.39Å; C35-F387 HydrophobicContact CB-CD2 3.98Å; C35-F387 HydrophobicContact CB-CE2 3.41Å; C35-F387 VanDerWaalsContact CB-CE2 3.41Å; C35-F387 HydrophobicContact CB-CZ 3.79Å; C35-F387 VanDerWaalsContact SG-CD2 3.53Å; C35-F387 VanDerWaalsContact SG-CE2 3.57Å
36L98.2Very high94.2Very high0 Ų028.2 Ų28.20%014%0.142CC..  trans-79.1154.2167.4-58.2175.7000110.4L30 Y38 F61 F63 V95 F97 I288 F289 G291L30-L36 HydrophobicContact CD2-CD2 4.19Å; L36-Y38 PolarHBondContact O-N 3.37Å; L36-Y38 VanDerWaalsContact O-N 3.12Å; L36-F61 CarbonylContact C-O 3.58Å; L36-F61 WeakPolarHBondContact CA-O 3.4Å; L36-F61 HydrophobicContact CD2-CB 3.59Å; L36-F63 HydrophobicContact CB-CB 4.04Å; L36-F63 HydrophobicContact CD1-CB 4.13Å; L36-F63 HydrophobicContact CD1-CD2 4.12Å; L36-V95 HydrophobicContact CD1-CB 4.08Å; L36-V95 HydrophobicContact CD1-CG1 4.25Å; L36-V95 HydrophobicContact CD1-CG2 4.36Å; L36-V95 HydrophobicContact CD2-CG2 4Å; L36-F97 HydrophobicContact CD1-CE2 3.44Å; L36-F97 VanDerWaalsContact CD1-CE2 3.44Å; L36-F97 HydrophobicContact CD1-CZ 3.76Å; L36-I288 HydrophobicContact CD1-CG2 4.46Å; L36-I288 HydrophobicContact CD2-CG2 3.93Å; L36-I288 HydrophobicContact CG-CG2 3.85Å; L36-F289 PolarHBondContact N-O 2.89Å; L36-G291 WeakPolarHBondContact O-CA 3.22Å
37L97.8Very high94.9Very high1 Ų124.2 Ų24.21%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-69.5105.6164.4174.958.8000107.9T39 V44 L58 P59 F61 S62 F63 Y384L37-T39 PolarHBondContact O-N 3.22Å; L37-V44 HydrophobicContact CD1-CG1 4.27Å; L37-V44 HydrophobicContact CD1-CG2 3.81Å; L37-V44 HydrophobicContact CD2-CG2 3.7Å; L37-V44 HydrophobicContact CG-CG2 3.86Å; L37-L58 HydrophobicContact CD1-CD1 3.76Å; L37-L58 HydrophobicContact CD2-CD1 4.29Å; L37-P59 HydrophobicContact CB-CB 4.1Å; L37-P59 HydrophobicContact CB-CG 4.4Å; L37-F61 PolarHBondContact N-O 3.17Å; L37-S62 CarbonylContact O-C 3.58Å; L37-S62 VanDerWaalsContact O-CA 3.3Å; L37-S62 WeakPolarHBondContact O-CA 3.2Å; L37-F63 PolarHBondContact O-N 2.8Å; L37-Y384 WeakPolarHBondContact CD1-OH 3.49Å
38Y98Very high95.1Very high4 Ų421.7 Ų21.72%0.01611%0.114CC..EExtended strand (participates in β ladder)trans-64.9126.5179.1177.1-104.8000110.6L36 R40 P45 F63 D100 P101 T102 G291 Y295L36-Y38 PolarHBondContact O-N 3.37Å; L36-Y38 VanDerWaalsContact O-N 3.12Å; Y38-R40 HydrophobicContact CE1-CB 4.11Å; Y38-P45 HydrophobicContact CD1-CG 3.87Å; Y38-P45 HydrophobicContact CE1-CG 3.8Å; Y38-P45 WeakPolarHBondContact O-CD 3.31Å; Y38-F63 HydrophobicContact CD2-CD1 4.08Å; Y38-F63 HydrophobicContact CD2-CG 4.33Å; Y38-F63 HydrophobicContact CE2-CD1 4.21Å; Y38-F63 HydrophobicContact CE2-CE1 4.46Å; Y38-D100 VanDerWaalsContact OH-CG 3.24Å; Y38-D100 PolarHBondContact OH-OD1 3.03Å; Y38-D100 PolarHBondContact OH-OD2 3.06Å; Y38-P101 HydrophobicContact CD2-CG 4.27Å; Y38-P101 HydrophobicContact CE2-CG 3.87Å; Y38-T102 HydrophobicContact CE1-CG2 4.09Å; Y38-T102 HydrophobicContact CE2-CG2 4.03Å; Y38-T102 VanDerWaalsContact OH-CG2 3.27Å; Y38-T102 WeakPolarHBondContact OH-CG2 3.49Å; Y38-T102 PolarHBondContact OH-OG1 3.04Å; Y38-G291 WeakPolarHBondContact CB-O 3.42Å; Y38-Y295 HydrophobicContact CD1-CG 4.23Å; Y38-Y295 AromaticContact CE1-CD1 3.72Å; Y38-Y295 HydrophobicContact CE1-CD1 3.72Å; Y38-Y295 HydrophobicContact CE1-CD2 4.46Å; Y38-Y295 HydrophobicContact CE1-CE1 4.43Å; Y38-Y295 AromaticContact CE1-CG 3.72Å; Y38-Y295 HydrophobicContact CE1-CG 3.72Å
39T96.4Very high95.1Very high2 Ų224.5 Ų24.51%0.01213%0.132CC..  trans-119.6141.517179.20000109.4L37 S43 F63 L89L37-T39 PolarHBondContact O-N 3.22Å; T39-S43 CarbonylContact C-O 3.52Å; T39-S43 WeakPolarHBondContact CA-O 3.49Å; T39-S43 VanDerWaalsContact CB-O 3.31Å; T39-S43 WeakPolarHBondContact CB-O 3.11Å; T39-F63 WeakPolarHBondContact CB-O 3.3Å; T39-F63 PolarHBondContact OG1-O 3.33Å; T39-L89 HydrophobicContact CG2-CD1 4.33Å; T39-L89 HydrophobicContact CG2-CD2 3.93Å
40R90.5Very high95Very high31 Ų3127.2 Ų27.212%0.11715%0.146CC..BIsolated β-bridgetrans-114.8124.2171.6-165.6176174.3-145.1-5.3107.3Y38 G42 S43 P45 H103 Y295 E423Y38-R40 HydrophobicContact CE1-CB 4.11Å; R40-G42 PolarHBondContact O-N 3.43Å; R40-S43 PolarHBondContact N-O 3.38Å; R40-S43 PolarHBondContact O-N 2.84Å; R40-P45 HydrophobicContact CB-CG 3.95Å; R40-H103 PolarHBondContact NH2-NE2 3.36Å; R40-H103 VanDerWaalsContact NH2-NE2 3.19Å; R40-Y295 VanDerWaalsContact CZ-OH 3.3Å; R40-Y295 PolarHBondContact NH1-OH 2.99Å; R40-E423 IonicContact CZ-OE2 3.45Å; R40-E423 IonicContact NH1-OE1 3.4Å; R40-E423 IonicContact NH1-OE2 2.72Å; R40-E423 PolarHBondContact NH1-OE2 3.11Å
41Y85.9Confident95Very high60 Ų6028.6 Ų28.624%0.23516%0.155CC..THydrogen-bonded Turntrans52.838.4-171.7-48.8-64.2000113.5S43 Y68 H103 T120Y41-S43 VanDerWaalsContact C-N 3.28Å; Y41-S43 PolarHBondContact O-N 3.28Å; Y41-Y68 VanDerWaalsContact C-CE1 3.45Å; Y41-Y68 VanDerWaalsContact C-CE2 3.45Å; Y41-Y68 AromaticContact CD1-CD2 3.85Å; Y41-Y68 HydrophobicContact CD1-CD2 3.85Å; Y41-Y68 HydrophobicContact CD1-CG 4.49Å; Y41-Y68 HydrophobicContact CG-CD2 4.23Å; Y41-Y68 WeakPolarHBondContact O-CE1 3.43Å; Y41-Y68 WeakPolarHBondContact O-CE2 3.1Å; Y41-Y68 PolarHBondContact O-OH 3.13Å; Y41-H103 PolarHBondContact OH-CE1 2.86Å; Y41-T120 HydrophobicContact CE1-CG2 3.67Å; Y41-T120 HydrophobicContact CE2-CG2 4.1Å; Y41-T120 WeakPolarHBondContact OH-CG2 3.45Å
42G83.8Confident94.9Very high2 Ų223.3 Ų23.32%0.02113%0.13CC..THydrogen-bonded Turntrans84.1-14.5176.200000115.4R40 A87R40-G42 PolarHBondContact O-N 3.43Å; G42-A87 WeakPolarHBondContact O-CB 3.48Å
43S92.3Very high94.8Very high60 Ų6027.4 Ų27.442%0.4215%0.15SC..BIsolated β-bridgetrans-109.3151.3179.7-610000111.5T39 R40 Y41 P45T39-S43 CarbonylContact C-O 3.52Å; T39-S43 WeakPolarHBondContact CA-O 3.49Å; T39-S43 VanDerWaalsContact CB-O 3.31Å; T39-S43 WeakPolarHBondContact CB-O 3.11Å; R40-S43 PolarHBondContact N-O 3.38Å; R40-S43 PolarHBondContact O-N 2.84Å; Y41-S43 VanDerWaalsContact C-N 3.28Å; Y41-S43 PolarHBondContact O-N 3.28Å; S43-P45 WeakPolarHBondContact O-CD 3.49Å
44V95.5Very high94.7Very high5 Ų535.3 Ų35.33%0.0318%0.184CC..  trans-63124.5169-178.50000107.4L37 F46 L47 Y52 M376L37-V44 HydrophobicContact CD1-CG1 4.27Å; L37-V44 HydrophobicContact CD1-CG2 3.81Å; L37-V44 HydrophobicContact CD2-CG2 3.7Å; L37-V44 HydrophobicContact CG-CG2 3.86Å; V44-F46 PolarHBondContact O-N 3.27Å; V44-L47 HydrophobicContact CG1-CB 4.12Å; V44-L47 HydrophobicContact CG1-CD1 4.32Å; V44-L47 HydrophobicContact CG1-CG 4.49Å; V44-L47 PolarHBondContact O-N 2.86Å; V44-Y52 HydrophobicContact CB-CD1 3.61Å; V44-Y52 HydrophobicContact CB-CE1 3.99Å; V44-Y52 HydrophobicContact CB-CG 4.29Å; V44-Y52 HydrophobicContact CG1-CD1 4.22Å; V44-Y52 HydrophobicContact CG1-CG 4.5Å; V44-Y52 HydrophobicContact CG2-CD1 3.47Å; V44-Y52 VanDerWaalsContact CG2-CD1 3.47Å; V44-Y52 HydrophobicContact CG2-CD2 4.41Å; V44-Y52 HydrophobicContact CG2-CE1 3.54Å; V44-Y52 HydrophobicContact CG2-CG 3.94Å; V44-M376 HydrophobicContact CG1-CE 4.2Å
45P95Very high94.7Very high11 Ų1135.9 Ų35.97%0.07119%0.187CC..THydrogen-bonded Turntrans-53.8134.4-177-27.434.6000111.6Y38 R40 S43 L47 Y295 M376Y38-P45 HydrophobicContact CD1-CG 3.87Å; Y38-P45 HydrophobicContact CE1-CG 3.8Å; Y38-P45 WeakPolarHBondContact O-CD 3.31Å; R40-P45 HydrophobicContact CB-CG 3.95Å; S43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-L47 PolarHBondContact O-N 3.48Å; P45-Y295 HydrophobicContact CB-CD2 3.49Å; P45-Y295 VanDerWaalsContact CB-CD2 3.49Å; P45-Y295 HydrophobicContact CB-CE2 4.15Å; P45-Y295 HydrophobicContact CB-CG 4.32Å; P45-Y295 HydrophobicContact CG-CD2 3.69Å; P45-Y295 HydrophobicContact CG-CE2 4.42Å; P45-Y295 HydrophobicContact CG-CG 4.09Å; P45-M376 HydrophobicContact CB-CE 4.34Å; P45-M376 HydrophobicContact CG-CE 4.34Å; P45-M376 WeakPolarHBondContact O-CG 3.43Å
46F95Very high94.6Very high35 Ų3540.4 Ų40.415%0.15421%0.207CC..THydrogen-bonded Turntrans63.6-15.8178.2-40-55.1000116.9V44 Y295 M369 P372 M373 M376 T421 E423V44-F46 PolarHBondContact O-N 3.27Å; F46-Y295 AromaticContact CE2-CD2 3.95Å; F46-Y295 HydrophobicContact CE2-CD2 3.95Å; F46-Y295 HydrophobicContact CE2-CE2 4.25Å; F46-Y295 HydrophobicContact CZ-CD2 4.14Å; F46-Y295 AromaticContact CZ-CE2 3.96Å; F46-Y295 HydrophobicContact CZ-CE2 3.96Å; F46-M369 HydrophobicContact CD1-CE 4.16Å; F46-M369 HydrophobicContact CE1-CE 4.3Å; F46-P372 HydrophobicContact CD1-CB 4.41Å; F46-P372 HydrophobicContact CD2-CB 4.07Å; F46-P372 HydrophobicContact CE1-CB 4.37Å; F46-P372 HydrophobicContact CE2-CB 4.01Å; F46-P372 HydrophobicContact CG-CB 4.27Å; F46-P372 HydrophobicContact CZ-CB 4.17Å; F46-M373 HydrophobicContact CB-CG 3.78Å; F46-M373 VanDerWaalsContact O-CG 3.27Å; F46-M373 WeakPolarHBondContact O-CG 3.26Å; F46-M373 VanDerWaalsContact O-SD 3.4Å; F46-M376 HydrophobicContact CD2-CB 3.96Å; F46-M376 HydrophobicContact CD2-CG 4.18Å; F46-T421 HydrophobicContact CE1-CG2 4.23Å; F46-T421 HydrophobicContact CZ-CG2 3.92Å; F46-E423 VanDerWaalsContact CE1-OE1 3.3Å; F46-E423 WeakPolarHBondContact CE1-OE1 3.43Å
47L96Very high94.4Very high8 Ų845.1 Ų45.14%0.04223%0.232CC..  trans-113.4121.6-169-55.6-176.4000111.8V44 P45 V51 Y52 I55 M373 M376 I377V44-L47 HydrophobicContact CG1-CB 4.12Å; V44-L47 HydrophobicContact CG1-CD1 4.32Å; V44-L47 HydrophobicContact CG1-CG 4.49Å; V44-L47 PolarHBondContact O-N 2.86Å; P45-L47 PolarHBondContact O-N 3.48Å; L47-V51 HydrophobicContact CD2-CG1 3.98Å; L47-Y52 HydrophobicContact CB-CD1 4.31Å; L47-Y52 WeakPolarHBondContact O-CD1 3.45Å; L47-I55 HydrophobicContact CD1-CD1 3.77Å; L47-M373 HydrophobicContact CD2-CB 4.32Å; L47-M376 HydrophobicContact CD1-CB 4.22Å; L47-M376 HydrophobicContact CD1-CG 3.74Å; L47-M376 HydrophobicContact CD2-CB 4.32Å; L47-M376 HydrophobicContact CG-CB 4.23Å; L47-M376 HydrophobicContact CG-CG 3.89Å; L47-I377 HydrophobicContact CD1-CG1 4.01Å; L47-I377 HydrophobicContact CD2-CD1 4.24Å; L47-I377 HydrophobicContact CD2-CG1 3.7Å
48P94.6Very high94.4Very high57 Ų5746.3 Ų46.337%0.3724%0.238SC..  trans-71.6162168.532.2-35.5000111.1D50 V51 Y52P48-D50 WeakPolarHBondContact CB-OD1 3.35Å; P48-D50 WeakPolarHBondContact CG-OD1 3.34Å; P48-D50 PolarHBondContact O-N 3.48Å; P48-V51 HydrophobicContact CG-CB 4.09Å; P48-V51 HydrophobicContact CG-CG2 3.68Å; P48-V51 PolarHBondContact O-N 3.17Å; P48-Y52 WeakPolarHBondContact O-CD1 3.38Å; P48-Y52 PolarHBondContact O-N 3Å; P48-Y52 VanDerWaalsContact O-N 3.08Å
49P94.1Very high94.4Very high58 Ų5846.4 Ų46.438%0.37724%0.239SC..Hα-helixtrans-53-44.9-176.5-29.236.5000115.9V51 Y52 E53P49-V51 PolarHBondContact O-N 3.23Å; P49-V51 VanDerWaalsContact O-N 3.16Å; P49-Y52 VanDerWaalsContact CA-CZ 3.49Å; P49-Y52 HydrophobicContact CB-CE1 3.99Å; P49-Y52 HydrophobicContact CG-CE1 3.97Å; P49-Y52 PolarHBondContact O-N 3.16Å; P49-E53 VanDerWaalsContact O-CB 3.27Å; P49-E53 WeakPolarHBondContact O-CB 3.42Å; P49-E53 WeakPolarHBondContact O-CG 3.18Å; P49-E53 PolarHBondContact O-N 2.98Å
50D94.6Very high94.3Very high103 Ų10348.3 Ų48.355%0.55125%0.248SC*.Hα-helixtrans-64.4-19.9-18064.7-54.1000113.8P48 K54P48-D50 WeakPolarHBondContact CB-OD1 3.35Å; P48-D50 WeakPolarHBondContact CG-OD1 3.34Å; P48-D50 PolarHBondContact O-N 3.48Å; D50-K54 VanDerWaalsContact O-CE 3.23Å; D50-K54 WeakPolarHBondContact O-CE 3.01Å
51V96.2Very high94.6Very high43 Ų4346.8 Ų46.826%0.26124%0.242SC..Hα-helixtrans-89.7-54.3175.7175.80000110.8L47 P48 P49 E53 K54 I377L47-V51 HydrophobicContact CD2-CG1 3.98Å; P48-V51 HydrophobicContact CG-CB 4.09Å; P48-V51 HydrophobicContact CG-CG2 3.68Å; P48-V51 PolarHBondContact O-N 3.17Å; P49-V51 PolarHBondContact O-N 3.23Å; P49-V51 VanDerWaalsContact O-N 3.16Å; V51-E53 VanDerWaalsContact C-N 3.27Å; V51-E53 PolarHBondContact O-N 3.14Å; V51-K54 WeakPolarHBondContact O-CB 3.25Å; V51-K54 PolarHBondContact O-N 3.06Å; V51-K54 VanDerWaalsContact O-N 3.15Å; V51-I377 HydrophobicContact CG1-CD1 3.74Å; V51-I377 HydrophobicContact CG1-CG1 4.04Å
52Y95.9Very high95.2Very high4 Ų444 Ų442%0.01623%0.231CC..Hα-helixtrans-66.3-30.8-175.769.4-117.9000112V44 L47 P48 P49 K54 I55 L58 G88V44-Y52 HydrophobicContact CB-CD1 3.61Å; V44-Y52 HydrophobicContact CB-CE1 3.99Å; V44-Y52 HydrophobicContact CB-CG 4.29Å; V44-Y52 HydrophobicContact CG1-CD1 4.22Å; V44-Y52 HydrophobicContact CG1-CG 4.5Å; V44-Y52 HydrophobicContact CG2-CD1 3.47Å; V44-Y52 VanDerWaalsContact CG2-CD1 3.47Å; V44-Y52 HydrophobicContact CG2-CD2 4.41Å; V44-Y52 HydrophobicContact CG2-CE1 3.54Å; V44-Y52 HydrophobicContact CG2-CG 3.94Å; L47-Y52 HydrophobicContact CB-CD1 4.31Å; L47-Y52 WeakPolarHBondContact O-CD1 3.45Å; P48-Y52 WeakPolarHBondContact O-CD1 3.38Å; P48-Y52 PolarHBondContact O-N 3Å; P48-Y52 VanDerWaalsContact O-N 3.08Å; P49-Y52 VanDerWaalsContact CA-CZ 3.49Å; P49-Y52 HydrophobicContact CB-CE1 3.99Å; P49-Y52 HydrophobicContact CG-CE1 3.97Å; P49-Y52 PolarHBondContact O-N 3.16Å; Y52-K54 PolarHBondContact O-N 2.96Å; Y52-I55 VanDerWaalsContact O-CB 3.29Å; Y52-I55 WeakPolarHBondContact O-CB 3.33Å; Y52-I55 WeakPolarHBondContact O-CG1 3.39Å; Y52-I55 PolarHBondContact O-N 3.41Å; Y52-L58 HydrophobicContact CD2-CD2 3.71Å; Y52-L58 HydrophobicContact CE2-CD2 4.34Å; Y52-L58 WeakPolarHBondContact O-CD2 3.47Å; Y52-G88 PolarHBondContact OH-O 3.33Å
53E95.9Very high95.8Very high87 Ų8743.9 Ų43.941%0.40723%0.23SC..THydrogen-bonded Turntrans-63-14.8178.3-69.8-73.5-175.700113.3P49 V51 R92P49-E53 VanDerWaalsContact O-CB 3.27Å; P49-E53 WeakPolarHBondContact O-CB 3.42Å; P49-E53 WeakPolarHBondContact O-CG 3.18Å; P49-E53 PolarHBondContact O-N 2.98Å; V51-E53 VanDerWaalsContact C-N 3.27Å; V51-E53 PolarHBondContact O-N 3.14Å; E53-R92 IonicContact OE1-CZ 3.55Å; E53-R92 IonicContact OE1-NH1 3.93Å; E53-R92 PolarHBondContact OE1-NH1 3.44Å; E53-R92 IonicContact OE1-NH2 2.69Å; E53-R92 PolarHBondContact OE1-NH2 3.32Å; E53-R92 VanDerWaalsContact OE1-NH2 3.17Å; E53-R92 IonicContact OE2-CZ 2.77Å; E53-R92 IonicContact OE2-NH1 2.65Å; E53-R92 IonicContact OE2-NH2 3.41Å; E53-R92 PolarHBondContact OE2-NH2 3.44Å
54K96.4Very high96Very high165 Ų16541.1 Ų41.172%0.71721%0.211SC*.THydrogen-bonded Turntrans-86.2-9174.6-61.9175.4-178.3169.40113.1D50 V51 Y52 E56D50-K54 VanDerWaalsContact O-CE 3.23Å; D50-K54 WeakPolarHBondContact O-CE 3.01Å; V51-K54 WeakPolarHBondContact O-CB 3.25Å; V51-K54 PolarHBondContact O-N 3.06Å; V51-K54 VanDerWaalsContact O-N 3.15Å; Y52-K54 PolarHBondContact O-N 2.96Å; K54-E56 PolarHBondContact O-N 2.85Å
55I97.3Very high96Very high14 Ų1441.4 Ų41.47%0.07221%0.213CC..SBendtrans-73.4124.2178.6-60.2173.4000108.5L47 Y52 L58 I377 H381 Y384L47-I55 HydrophobicContact CD1-CD1 3.77Å; Y52-I55 VanDerWaalsContact O-CB 3.29Å; Y52-I55 WeakPolarHBondContact O-CB 3.33Å; Y52-I55 WeakPolarHBondContact O-CG1 3.39Å; Y52-I55 PolarHBondContact O-N 3.41Å; I55-L58 WeakPolarHBondContact O-CB 3.28Å; I55-I377 HydrophobicContact CG1-CG2 4.42Å; I55-H381 HydrophobicContact CG2-CB 4.19Å; I55-Y384 HydrophobicContact CG2-CD2 3.91Å; I55-Y384 HydrophobicContact CG2-CE2 3.84Å
56E96.4Very high96.1Very high99 Ų9940.9 Ų40.946%0.46321%0.21SC..THydrogen-bonded Turntrans-61.7146.9176.1-63-177.4169.100111.7K54 L58 N348 H381K54-E56 PolarHBondContact O-N 2.85Å; E56-L58 PolarHBondContact O-N 3.46Å; E56-N348 VanDerWaalsContact CD-ND2 3.32Å; E56-N348 PolarHBondContact OE1-ND2 3.4Å; E56-N348 PolarHBondContact OE2-ND2 2.87Å; E56-H381 IonicContact OE2-CE1 3.51Å; E56-H381 PolarHBondContact OE2-CE1 3.38Å
57L96Very high96Very high99 Ų9939.2 Ų39.252%0.51820%0.203SC..THydrogen-bonded Turntrans60.521177.3-53.7175.1000115.1R385L57-R385 HydrophobicContact CD1-CG 4.27Å
58L96.4Very high95.9Very high25 Ų2539.7 Ų39.713%0.13120%0.204CC..  trans-57.7130.9-179.8-173.371.1000112.8L37 Y52 I55 E56 Y384L37-L58 HydrophobicContact CD1-CD1 3.76Å; L37-L58 HydrophobicContact CD2-CD1 4.29Å; Y52-L58 HydrophobicContact CD2-CD2 3.71Å; Y52-L58 HydrophobicContact CE2-CD2 4.34Å; Y52-L58 WeakPolarHBondContact O-CD2 3.47Å; I55-L58 WeakPolarHBondContact O-CB 3.28Å; E56-L58 PolarHBondContact O-N 3.46Å; L58-Y384 HydrophobicContact CB-CE2 4.48Å; L58-Y384 HydrophobicContact CD1-CE2 3.64Å
59P97.4Very high95.9Very high7 Ų737 Ų375%0.04519%0.186CC..  trans-63.8139.4179.1-23.833.5000113.9L30 C35 L37 F61 R92 Y384L30-P59 HydrophobicContact CD1-CB 4.4Å; C35-P59 WeakPolarHBondContact O-CB 3.41Å; C35-P59 WeakPolarHBondContact O-CG 3.15Å; L37-P59 HydrophobicContact CB-CB 4.1Å; L37-P59 HydrophobicContact CB-CG 4.4Å; P59-F61 VanDerWaalsContact C-N 3.33Å; P59-R92 PolarHBondContact O-NE 2.86Å; P59-R92 VanDerWaalsContact O-NE 3.13Å; P59-Y384 VanDerWaalsContact CD-CE1 3.48Å; P59-Y384 HydrophobicContact CG-CD1 4.09Å; P59-Y384 HydrophobicContact CG-CE1 3.68Å
60E96.1Very high96Very high41 Ų4134.8 Ų34.819%0.19217%0.173CC..SBendtrans-86.4-6.2175.5-59.6-166.2126.500113.4I28 N29 K91 R92 G93I28-E60 WeakPolarHBondContact CA-OE2 3.15Å; I28-E60 HydrophobicContact CB-CB 4.03Å; I28-E60 HydrophobicContact CG2-CB 4.28Å; N29-E60 PolarHBondContact N-OE2 2.64Å; E60-K91 WeakPolarHBondContact OE1-CE 3.39Å; E60-K91 IonicContact OE1-NZ 3.8Å; E60-K91 PolarHBondContact OE1-NZ 2.71Å; E60-R92 VanDerWaalsContact O-CA 3.24Å; E60-R92 WeakPolarHBondContact O-CA 3.49Å; E60-R92 VanDerWaalsContact O-CB 3.27Å; E60-R92 WeakPolarHBondContact O-CB 3.38Å; E60-R92 WeakPolarHBondContact O-CG 3.31Å; E60-G93 PolarHBondContact O-N 3.14Å; E60-G93 VanDerWaalsContact O-N 3.09Å
61F96.7Very high96Very high0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-112.7131175-71.4-112.5000108.5L19 E21 I28 L30 L36 L37 P59 G93 V95 I141L19-F61 HydrophobicContact CB-CZ 4.45Å; L19-F61 HydrophobicContact CD2-CD1 3.66Å; L19-F61 HydrophobicContact CD2-CE1 3.42Å; L19-F61 VanDerWaalsContact CD2-CE1 3.42Å; L19-F61 HydrophobicContact CD2-CG 4.37Å; L19-F61 HydrophobicContact CD2-CZ 3.95Å; L19-F61 HydrophobicContact CG-CE1 3.99Å; L19-F61 HydrophobicContact CG-CZ 4.08Å; E21-F61 HydrophobicContact CB-CZ 4.36Å; I28-F61 HydrophobicContact CB-CE2 4.21Å; I28-F61 HydrophobicContact CD1-CD2 4.3Å; I28-F61 HydrophobicContact CD1-CE1 4.16Å; I28-F61 HydrophobicContact CD1-CE2 3.88Å; I28-F61 HydrophobicContact CD1-CZ 3.8Å; I28-F61 HydrophobicContact CG1-CE2 3.89Å; I28-F61 HydrophobicContact CG1-CZ 3.9Å; L30-F61 HydrophobicContact CB-CD2 3.66Å; L30-F61 HydrophobicContact CB-CE2 4.01Å; L30-F61 HydrophobicContact CB-CG 4.36Å; L30-F61 HydrophobicContact CD2-CB 4.37Å; L36-F61 CarbonylContact C-O 3.58Å; L36-F61 WeakPolarHBondContact CA-O 3.4Å; L36-F61 HydrophobicContact CD2-CB 3.59Å; L37-F61 PolarHBondContact N-O 3.17Å; P59-F61 VanDerWaalsContact C-N 3.33Å; F61-G93 CarbonylContact C-O 3.59Å; F61-G93 WeakPolarHBondContact CA-O 3.39Å; F61-V95 HydrophobicContact CB-CG2 4.49Å; F61-V95 HydrophobicContact CD1-CG2 4.15Å; F61-I141 HydrophobicContact CD1-CD1 3.33Å; F61-I141 HydrophobicContact CE1-CD1 3.2Å; F61-I141 HydrophobicContact CZ-CD1 4.37Å
62S97Very high95.9Very high0 Ų034.1 Ų34.10%016%0.161CC..EExtended strand (participates in β ladder)trans-109.8140.8-176.355.40000111.3L37 G93 A94 V95L37-S62 CarbonylContact O-C 3.58Å; L37-S62 VanDerWaalsContact O-CA 3.3Å; L37-S62 WeakPolarHBondContact O-CA 3.2Å; S62-G93 PolarHBondContact N-O 3.41Å; S62-G93 PolarHBondContact OG-O 3.34Å; S62-A94 WeakPolarHBondContact OG-CA 3.5Å; S62-V95 PolarHBondContact O-N 3.22Å
63F97.6Very high95.8Very high0 Ų039 Ų390%018%0.179CC..EExtended strand (participates in β ladder)trans-76.6132.3169.4-178.1-80.1000108.9L36 L37 Y38 T39 C65 F97 S99 P101 T270 D290L36-F63 HydrophobicContact CB-CB 4.04Å; L36-F63 HydrophobicContact CD1-CB 4.13Å; L36-F63 HydrophobicContact CD1-CD2 4.12Å; L37-F63 PolarHBondContact O-N 2.8Å; Y38-F63 HydrophobicContact CD2-CD1 4.08Å; Y38-F63 HydrophobicContact CD2-CG 4.33Å; Y38-F63 HydrophobicContact CE2-CD1 4.21Å; Y38-F63 HydrophobicContact CE2-CE1 4.46Å; T39-F63 WeakPolarHBondContact CB-O 3.3Å; T39-F63 PolarHBondContact OG1-O 3.33Å; F63-C65 HydrophobicContact CE1-CB 4.17Å; F63-F97 AromaticContact CD2-CD2 3.32Å; F63-F97 HydrophobicContact CD2-CD2 3.32Å; F63-F97 AromaticContact CD2-CE2 3.47Å; F63-F97 HydrophobicContact CD2-CE2 3.47Å; F63-F97 VanDerWaalsContact CD2-CE2 3.47Å; F63-F97 HydrophobicContact CD2-CG 4.11Å; F63-F97 HydrophobicContact CD2-CZ 4.36Å; F63-F97 HydrophobicContact CE2-CB 3.75Å; F63-F97 HydrophobicContact CE2-CD1 4.2Å; F63-F97 AromaticContact CE2-CD2 3.13Å; F63-F97 HydrophobicContact CE2-CD2 3.13Å; F63-F97 AromaticContact CE2-CE2 3.67Å; F63-F97 HydrophobicContact CE2-CE2 3.67Å; F63-F97 AromaticContact CE2-CG 3.43Å; F63-F97 HydrophobicContact CE2-CG 3.43Å; F63-F97 VanDerWaalsContact CE2-CG 3.43Å; F63-F97 HydrophobicContact CE2-CZ 4.39Å; F63-F97 HydrophobicContact CG-CD2 4.11Å; F63-F97 HydrophobicContact CG-CE2 4.36Å; F63-F97 HydrophobicContact CZ-CB 3.63Å; F63-F97 AromaticContact CZ-CD2 3.77Å; F63-F97 HydrophobicContact CZ-CD2 3.77Å; F63-F97 AromaticContact CZ-CG 3.88Å; F63-F97 HydrophobicContact CZ-CG 3.88Å; F63-S99 WeakPolarHBondContact CZ-O 3.34Å; F63-P101 HydrophobicContact CE2-CG 4.38Å; F63-P101 HydrophobicContact CZ-CG 4.18Å; F63-T270 HydrophobicContact CE2-CG2 4.41Å; F63-D290 HydrophobicContact CD2-CB 4.06Å; F63-D290 HydrophobicContact CE2-CB 4.15Å
64A96.2Very high95.7Very high2 Ų241.9 Ų41.92%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-128.8146.817000000110.2A94 V95 L96 F97A64-A94 HydrophobicContact CB-CB 4.47Å; A64-V95 PolarHBondContact N-O 3.07Å; A64-L96 HydrophobicContact CB-CD1 3.98Å; A64-L96 CarbonylContact O-C 3.59Å; A64-L96 WeakPolarHBondContact O-CA 3.49Å; A64-F97 PolarHBondContact O-N 2.88Å
65C95.5Very high95.7Very high12 Ų1236 Ų368%0.08117%0.173CC..EExtended strand (participates in β ladder)trans-105.6137.2-179.5177.40000111.9F63 G67 Y68 V69 D100F63-C65 HydrophobicContact CE1-CB 4.17Å; C65-G67 VanDerWaalsContact C-N 3.28Å; C65-G67 PolarHBondContact O-N 3.12Å; C65-G67 PolarHBondContact SG-N 3.38Å; C65-Y68 WeakPolarHBondContact O-CB 3.48Å; C65-Y68 PolarHBondContact O-N 2.89Å; C65-V69 PolarHBondContact O-N 2.71Å; C65-D100 HydrophobicContact CB-CB 4.26Å; C65-D100 PolarHBondContact SG-N 2.92Å; C65-D100 VanDerWaalsContact SG-N 3.35Å
66M95.8Very high95.6Very high0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-61.5-35.2176.2-17658.78000112.3Y68 V69 A70 L96 F97 V117 L126 Y131 C134 S135M66-Y68 VanDerWaalsContact C-N 3.28Å; M66-Y68 PolarHBondContact O-N 3.21Å; M66-V69 PolarHBondContact O-N 3.29Å; M66-V69 VanDerWaalsContact O-N 3.13Å; M66-V69 HydrophobicContact SD-CB 4.28Å; M66-V69 HydrophobicContact SD-CG1 4.42Å; M66-A70 WeakPolarHBondContact O-CB 3.39Å; M66-A70 PolarHBondContact O-N 2.73Å; M66-L96 HydrophobicContact CE-CD2 3.5Å; M66-L96 HydrophobicContact CE-CG 4.15Å; M66-L96 HydrophobicContact SD-CD2 4.19Å; M66-F97 WeakPolarHBondContact CB-O 3.29Å; M66-F97 PolarHBondContact N-O 3.3Å; M66-V117 HydrophobicContact CB-CG1 4.12Å; M66-V117 HydrophobicContact CG-CG1 3.87Å; M66-L126 HydrophobicContact CG-CD1 3.89Å; M66-Y131 HydrophobicContact CB-CE2 4.4Å; M66-Y131 HydrophobicContact CE-CD1 3.7Å; M66-Y131 HydrophobicContact CE-CD2 4.05Å; M66-Y131 HydrophobicContact CE-CE1 3.38Å; M66-Y131 HydrophobicContact CE-CE2 3.77Å; M66-Y131 HydrophobicContact CE-CG 4.02Å; M66-Y131 VanDerWaalsContact CE-CZ 3.41Å; M66-Y131 HydrophobicContact CG-CD2 4.14Å; M66-Y131 HydrophobicContact CG-CE2 3.81Å; M66-C134 HydrophobicContact CE-CB 4.19Å; M66-C134 HydrophobicContact SD-CB 3.34Å; M66-C134 WeakPolarHBondContact SD-CB 3.43Å; M66-S135 VanDerWaalsContact CE-OG 3.26Å; M66-S135 WeakPolarHBondContact CE-OG 3.46Å
67G94Very high95.6Very high0 Ų034.1 Ų34.10%017%0.169CC..Hα-helixtrans-54.4-44.5176.100000112.5C65 V69 A70 E71 T119C65-G67 VanDerWaalsContact C-N 3.28Å; C65-G67 PolarHBondContact O-N 3.12Å; C65-G67 PolarHBondContact SG-N 3.38Å; G67-V69 PolarHBondContact O-N 2.84Å; G67-A70 PolarHBondContact O-N 2.78Å; G67-E71 WeakPolarHBondContact O-CB 3.19Å; G67-E71 PolarHBondContact O-N 3.05Å; G67-T119 WeakPolarHBondContact O-CG2 3.47Å
68Y93.2Very high95.6Very high17 Ų1737 Ų377%0.06718%0.177CC..Hα-helixtrans-62-44.7176.8173.6-122.1000112.6Y41 C65 M66 R72 I83 F86Y41-Y68 VanDerWaalsContact C-CE1 3.45Å; Y41-Y68 VanDerWaalsContact C-CE2 3.45Å; Y41-Y68 AromaticContact CD1-CD2 3.85Å; Y41-Y68 HydrophobicContact CD1-CD2 3.85Å; Y41-Y68 HydrophobicContact CD1-CG 4.49Å; Y41-Y68 HydrophobicContact CG-CD2 4.23Å; Y41-Y68 WeakPolarHBondContact O-CE1 3.43Å; Y41-Y68 WeakPolarHBondContact O-CE2 3.1Å; Y41-Y68 PolarHBondContact O-OH 3.13Å; C65-Y68 WeakPolarHBondContact O-CB 3.48Å; C65-Y68 PolarHBondContact O-N 2.89Å; M66-Y68 VanDerWaalsContact C-N 3.28Å; M66-Y68 PolarHBondContact O-N 3.21Å; Y68-R72 VanDerWaalsContact CD2-NH1 3.27Å; Y68-R72 VanDerWaalsContact CE2-NE 3.27Å; Y68-R72 PolarHBondContact O-N 2.95Å; Y68-I83 HydrophobicContact CD1-CD1 3.68Å; Y68-I83 HydrophobicContact CD1-CG1 4.35Å; Y68-I83 HydrophobicContact CE1-CD1 3.29Å; Y68-I83 HydrophobicContact CE1-CG1 4.11Å; Y68-F86 WeakPolarHBondContact OH-CD1 3.48Å; Y68-F86 VanDerWaalsContact OH-CE1 3.3Å; Y68-F86 WeakPolarHBondContact OH-CE1 3.48Å
69V95.8Very high95.6Very high0 Ų040.6 Ų40.60%019%0.192CC..Hα-helixtrans-65-44.7179.3175.30000110.7C65 M66 G67 R72 R73 L76 I83 L96 C134 A138C65-V69 PolarHBondContact O-N 2.71Å; M66-V69 PolarHBondContact O-N 3.29Å; M66-V69 VanDerWaalsContact O-N 3.13Å; M66-V69 HydrophobicContact SD-CB 4.28Å; M66-V69 HydrophobicContact SD-CG1 4.42Å; G67-V69 PolarHBondContact O-N 2.84Å; V69-R72 CarbonylContact O-C 3.56Å; V69-R72 PolarHBondContact O-N 2.84Å; V69-R73 VanDerWaalsContact O-CA 3.26Å; V69-R73 WeakPolarHBondContact O-CA 3.24Å; V69-R73 PolarHBondContact O-N 3.35Å; V69-L76 HydrophobicContact CB-CD1 4.36Å; V69-L76 HydrophobicContact CG1-CD1 4.06Å; V69-L76 HydrophobicContact CG2-CD1 4.47Å; V69-I83 HydrophobicContact CG2-CD1 4.19Å; V69-L96 HydrophobicContact CG2-CD1 3.87Å; V69-C134 HydrophobicContact CG1-CB 3.83Å; V69-C134 VanDerWaalsContact CG1-O 3.31Å; V69-C134 WeakPolarHBondContact CG1-O 3.04Å; V69-A138 HydrophobicContact CB-CB 4.38Å; V69-A138 HydrophobicContact CG1-CB 3.74Å; V69-A138 HydrophobicContact CG2-CB 3.7Å
70A95.9Very high95.4Very high12 Ų1243.5 Ų43.510%0.09922%0.223CC..Hα-helixtrans-63-46.8-178.600000111.4M66 G67 R72 R73 V117 L124 L126M66-A70 WeakPolarHBondContact O-CB 3.39Å; M66-A70 PolarHBondContact O-N 2.73Å; G67-A70 PolarHBondContact O-N 2.78Å; A70-R72 VanDerWaalsContact C-N 3.26Å; A70-R72 PolarHBondContact O-N 3.09Å; A70-R73 WeakPolarHBondContact O-CB 3.17Å; A70-R73 PolarHBondContact O-N 2.81Å; A70-V117 HydrophobicContact CB-CG2 4.01Å; A70-L124 HydrophobicContact CB-CD1 4.08Å; A70-L126 HydrophobicContact CB-CD1 3.98Å; A70-L126 HydrophobicContact CB-CD2 4.15Å
71E94.1Very high95.2Very high59 Ų5942.8 Ų42.828%0.27623%0.226SC..Hα-helixtrans-60.9-34.9178.1-169.7171.4-143.600112.4G67 T119 T120 G121G67-E71 WeakPolarHBondContact O-CB 3.19Å; G67-E71 PolarHBondContact O-N 3.05Å; E71-T119 HydrophobicContact CB-CG2 4.03Å; E71-T120 PolarHBondContact OE1-N 2.48Å; E71-T120 PolarHBondContact OE1-OG1 3.17Å; E71-T120 PolarHBondContact OE2-OG1 3.37Å; E71-T120 VanDerWaalsContact OE2-OG1 3.07Å; E71-G121 PolarHBondContact OE1-N 3.48Å
72R93.2Very high95Very high74 Ų7442.9 Ų42.928%0.27923%0.228SC..THydrogen-bonded Turntrans-108.618.5-177.5-70.7164.1-170.671.6-0.3113.8Y68 V69 A70 F74 A75 L76Y68-R72 VanDerWaalsContact CD2-NH1 3.27Å; Y68-R72 VanDerWaalsContact CE2-NE 3.27Å; Y68-R72 PolarHBondContact O-N 2.95Å; V69-R72 CarbonylContact O-C 3.56Å; V69-R72 PolarHBondContact O-N 2.84Å; A70-R72 VanDerWaalsContact C-N 3.26Å; A70-R72 PolarHBondContact O-N 3.09Å; R72-F74 PolarHBondContact O-N 3.19Å; R72-F74 VanDerWaalsContact O-N 3.11Å; R72-A75 PolarHBondContact O-N 2.88Å; R72-L76 HydrophobicContact CB-CD1 4.45Å; R72-L76 PolarHBondContact O-N 3.21Å
73R94.1Very high94.8Very high107 Ų10743 Ų4340%0.40423%0.228SC..Hα-helixtrans-52.5-42.8-173.5-177.8176.26591.8-4.4112V69 A70 T77V69-R73 VanDerWaalsContact O-CA 3.26Å; V69-R73 WeakPolarHBondContact O-CA 3.24Å; V69-R73 PolarHBondContact O-N 3.35Å; A70-R73 WeakPolarHBondContact O-CB 3.17Å; A70-R73 PolarHBondContact O-N 2.81Å; R73-T77 VanDerWaalsContact O-CB 3.31Å; R73-T77 WeakPolarHBondContact O-CB 3.33Å; R73-T77 PolarHBondContact O-N 3.08Å; R73-T77 PolarHBondContact O-OG1 2.88Å
74F94.8Very high94.6Very high146 Ų14644.3 Ų44.364%0.6424%0.237SC*.Hα-helixtrans-62.4-47.9179-179.7-100.1000112.6R72 T77 K78R72-F74 PolarHBondContact O-N 3.19Å; R72-F74 VanDerWaalsContact O-N 3.11Å; F74-T77 PolarHBondContact O-N 3.45Å; F74-K78 HydrophobicContact CD1-CD 4.42Å; F74-K78 HydrophobicContact CE1-CD 3.77Å; F74-K78 HydrophobicContact CZ-CD 3.88Å; F74-K78 PolarHBondContact O-N 3.32Å
75A95.8Very high94.5Very high42 Ų4251.1 Ų51.135%0.34727%0.266SS..Hα-helixtrans-63.9-45.5179.300000111.4R72 T77 K78 F79 F86R72-A75 PolarHBondContact O-N 2.88Å; A75-T77 VanDerWaalsContact C-N 3.33Å; A75-T77 PolarHBondContact O-N 2.91Å; A75-K78 PolarHBondContact O-N 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.12Å; A75-F79 PolarHBondContact O-N 3.48Å; A75-F86 HydrophobicContact CB-CZ 4.49Å
76L95.4Very high94.5Very high1 Ų154 Ų541%0.00528%0.277CS..Hα-helixtrans-63.2-38.5176.7-73.6166.2000112.3V69 R72 F79 G80 I83 F86 V137V69-L76 HydrophobicContact CB-CD1 4.36Å; V69-L76 HydrophobicContact CG1-CD1 4.06Å; V69-L76 HydrophobicContact CG2-CD1 4.47Å; R72-L76 HydrophobicContact CB-CD1 4.45Å; R72-L76 PolarHBondContact O-N 3.21Å; L76-F79 PolarHBondContact O-N 3.13Å; L76-G80 PolarHBondContact O-N 3.21Å; L76-I83 HydrophobicContact CD1-CD1 3.81Å; L76-I83 HydrophobicContact CD2-CD1 3.75Å; L76-I83 HydrophobicContact CG-CD1 4.42Å; L76-F86 HydrophobicContact CD2-CB 3.56Å; L76-F86 HydrophobicContact CD2-CD1 3.65Å; L76-F86 HydrophobicContact CD2-CD2 3.82Å; L76-F86 HydrophobicContact CD2-CE1 4.28Å; L76-F86 HydrophobicContact CD2-CE2 4.42Å; L76-F86 HydrophobicContact CD2-CG 3.38Å; L76-F86 HydrophobicContact CG-CG 4.49Å; L76-V137 HydrophobicContact CB-CG1 3.3Å
77T95.7Very high94.3Very high73 Ų7354.8 Ų54.845%0.44828%0.283SS..Hα-helixtrans-63.3-45.7177.1-57.20000110.6R73 F74 A75 F79 G80 V137R73-T77 VanDerWaalsContact O-CB 3.31Å; R73-T77 WeakPolarHBondContact O-CB 3.33Å; R73-T77 PolarHBondContact O-N 3.08Å; R73-T77 PolarHBondContact O-OG1 2.88Å; F74-T77 PolarHBondContact O-N 3.45Å; A75-T77 VanDerWaalsContact C-N 3.33Å; A75-T77 PolarHBondContact O-N 2.91Å; T77-F79 VanDerWaalsContact C-N 3.33Å; T77-G80 PolarHBondContact O-N 2.89Å; T77-V137 WeakPolarHBondContact OG1-CG2 3.45Å
78K96.9Very high94.2Very high159 Ų15956.6 Ų56.669%0.69130%0.302SS*.Hα-helixtrans-65-37.1176.3-79.6-168.7167.2-176.80112.6F74 A75F74-K78 HydrophobicContact CD1-CD 4.42Å; F74-K78 HydrophobicContact CE1-CD 3.77Å; F74-K78 HydrophobicContact CZ-CD 3.88Å; F74-K78 PolarHBondContact O-N 3.32Å; A75-K78 PolarHBondContact O-N 3.32Å
79F96.7Very high94.2Very high101 Ų10155.9 Ų55.944%0.44330%0.299SS..Hα-helixtrans-68.7-38.4178.6177.8-108.6000112.6A75 L76 T77 G81 K85 F86A75-F79 WeakPolarHBondContact O-CB 3.12Å; A75-F79 PolarHBondContact O-N 3.48Å; L76-F79 PolarHBondContact O-N 3.13Å; T77-F79 VanDerWaalsContact C-N 3.33Å; F79-G81 VanDerWaalsContact CD1-N 3.32Å; F79-G81 PolarHBondContact O-N 3.48Å; F79-K85 HydrophobicContact CE1-CB 3.79Å; F79-K85 HydrophobicContact CZ-CB 4.02Å; F79-F86 HydrophobicContact CB-CD2 4.02Å; F79-F86 HydrophobicContact CB-CE2 4.41Å; F79-F86 HydrophobicContact CD1-CB 3.89Å; F79-F86 AromaticContact CD1-CD2 3.74Å; F79-F86 HydrophobicContact CD1-CD2 3.74Å; F79-F86 HydrophobicContact CD1-CG 4.32Å; F79-F86 HydrophobicContact CD2-CD2 4.31Å; F79-F86 HydrophobicContact CE1-CB 3.82Å; F79-F86 HydrophobicContact CE1-CD2 4.26Å; F79-F86 AromaticContact CG-CD2 3.76Å; F79-F86 HydrophobicContact CG-CD2 3.76Å
80G93.6Very high93.9Very high67 Ų6758.4 Ų58.469%0.69133%0.325SS*.  trans70.4-7.7173.900000116.1L76 T77L76-G80 PolarHBondContact O-N 3.21Å; T77-G80 PolarHBondContact O-N 2.89Å
81G91.8Very high93.6Very high26 Ų2662.6 Ų62.627%0.26834%0.341SS..SBendtrans-88.5-3.7-177.900000116.1F79 K85F79-G81 VanDerWaalsContact CD1-N 3.32Å; F79-G81 PolarHBondContact O-N 3.48Å; G81-K85 WeakPolarHBondContact O-CB 3.37Å
82G92.4Very high93.5Very high3 Ų360.2 Ų60.23%0.03133%0.33CS..Hα-helixtrans73.4176.2-174.600000114V84 F86 A138G82-V84 PolarHBondContact O-N 3.07Å; G82-F86 VanDerWaalsContact O-CB 3.22Å; G82-F86 WeakPolarHBondContact O-CB 3.43Å; G82-F86 PolarHBondContact O-N 2.61Å; G82-A138 CarbonylContact C-O 3.42Å; G82-A138 WeakPolarHBondContact CA-O 3.48Å
83I93.3Very high93.5Very high2 Ų256.7 Ų56.71%0.0132%0.316CS..Hα-helixtrans-69-37.8-167.5-156.764.6000113.2Y68 V69 L76 K85 F86 A87 A94 A138Y68-I83 HydrophobicContact CD1-CD1 3.68Å; Y68-I83 HydrophobicContact CD1-CG1 4.35Å; Y68-I83 HydrophobicContact CE1-CD1 3.29Å; Y68-I83 HydrophobicContact CE1-CG1 4.11Å; V69-I83 HydrophobicContact CG2-CD1 4.19Å; L76-I83 HydrophobicContact CD1-CD1 3.81Å; L76-I83 HydrophobicContact CD2-CD1 3.75Å; L76-I83 HydrophobicContact CG-CD1 4.42Å; I83-K85 PolarHBondContact O-N 3.02Å; I83-F86 PolarHBondContact O-N 3.4Å; I83-A87 WeakPolarHBondContact O-CB 3.08Å; I83-A87 PolarHBondContact O-N 2.82Å; I83-A94 HydrophobicContact CG2-CB 3.55Å; I83-A138 HydrophobicContact CB-CB 4.39Å; I83-A138 WeakPolarHBondContact CG2-O 3.39Å; I83-A138 PolarHBondContact N-O 3.29Å
84V93Very high93.5Very high28 Ų2851.6 Ų51.617%0.1730%0.297CS..Hα-helixtrans-61-48.6-179.9173.60000110.5G82 G88 L89 R92 A94G82-V84 PolarHBondContact O-N 3.07Å; V84-G88 PolarHBondContact O-N 3.44Å; V84-G88 VanDerWaalsContact O-N 3.17Å; V84-L89 HydrophobicContact CG1-CB 4.1Å; V84-L89 PolarHBondContact O-N 3Å; V84-R92 VanDerWaalsContact CG1-O 3.32Å; V84-R92 WeakPolarHBondContact CG1-O 3.3Å; V84-A94 HydrophobicContact CG2-CB 3.56Å
85K93.6Very high93.6Very high144 Ų14444.6 Ų44.663%0.62627%0.267SS*.Hα-helixtrans-70.8-40.9177.6-69.1-173.2-178.7179.70111.5F79 G81 I83 A87 G88F79-K85 HydrophobicContact CE1-CB 3.79Å; F79-K85 HydrophobicContact CZ-CB 4.02Å; G81-K85 WeakPolarHBondContact O-CB 3.37Å; I83-K85 PolarHBondContact O-N 3.02Å; K85-A87 VanDerWaalsContact C-N 3.28Å; K85-A87 PolarHBondContact O-N 3.32Å; K85-G88 PolarHBondContact O-N 2.61Å
86F94.6Very high93.6Very high73 Ų7342.7 Ų42.732%0.3225%0.25SS..Hα-helixtrans-60.9-39-178.8-174-98.2000112Y68 A75 L76 F79 G82 I83Y68-F86 WeakPolarHBondContact OH-CD1 3.48Å; Y68-F86 VanDerWaalsContact OH-CE1 3.3Å; Y68-F86 WeakPolarHBondContact OH-CE1 3.48Å; A75-F86 HydrophobicContact CB-CZ 4.49Å; L76-F86 HydrophobicContact CD2-CB 3.56Å; L76-F86 HydrophobicContact CD2-CD1 3.65Å; L76-F86 HydrophobicContact CD2-CD2 3.82Å; L76-F86 HydrophobicContact CD2-CE1 4.28Å; L76-F86 HydrophobicContact CD2-CE2 4.42Å; L76-F86 HydrophobicContact CD2-CG 3.38Å; L76-F86 HydrophobicContact CG-CG 4.49Å; F79-F86 HydrophobicContact CB-CD2 4.02Å; F79-F86 HydrophobicContact CB-CE2 4.41Å; F79-F86 HydrophobicContact CD1-CB 3.89Å; F79-F86 AromaticContact CD1-CD2 3.74Å; F79-F86 HydrophobicContact CD1-CD2 3.74Å; F79-F86 HydrophobicContact CD1-CG 4.32Å; F79-F86 HydrophobicContact CD2-CD2 4.31Å; F79-F86 HydrophobicContact CE1-CB 3.82Å; F79-F86 HydrophobicContact CE1-CD2 4.26Å; F79-F86 AromaticContact CG-CD2 3.76Å; F79-F86 HydrophobicContact CG-CD2 3.76Å; G82-F86 VanDerWaalsContact O-CB 3.22Å; G82-F86 WeakPolarHBondContact O-CB 3.43Å; G82-F86 PolarHBondContact O-N 2.61Å; I83-F86 PolarHBondContact O-N 3.4Å
87A92.4Very high93.7Very high16 Ų1642.7 Ų42.713%0.13225%0.251CS..THydrogen-bonded Turntrans-97.44.6-178.300000114.5G42 I83 K85 L89G42-A87 WeakPolarHBondContact O-CB 3.48Å; I83-A87 WeakPolarHBondContact O-CB 3.08Å; I83-A87 PolarHBondContact O-N 2.82Å; K85-A87 VanDerWaalsContact C-N 3.28Å; K85-A87 PolarHBondContact O-N 3.32Å; A87-L89 HydrophobicContact CB-CG 4.27Å; A87-L89 PolarHBondContact O-N 3.38Å
88G91.8Very high93.6Very high38 Ų3839.2 Ų39.239%0.39223%0.229SC..THydrogen-bonded Turntrans6928.9176.100000115Y52 V84 K85 G90Y52-G88 PolarHBondContact OH-O 3.33Å; V84-G88 PolarHBondContact O-N 3.44Å; V84-G88 VanDerWaalsContact O-N 3.17Å; K85-G88 PolarHBondContact O-N 2.61Å; G88-G90 PolarHBondContact O-N 3.09Å
89L92.5Very high93.4Very high3 Ų333 Ų332%0.01621%0.206CC..  trans-74.89.8-175.7-66.7173.6000114.6T39 V84 A87 K91 R92T39-L89 HydrophobicContact CG2-CD1 4.33Å; T39-L89 HydrophobicContact CG2-CD2 3.93Å; V84-L89 HydrophobicContact CG1-CB 4.1Å; V84-L89 PolarHBondContact O-N 3Å; A87-L89 HydrophobicContact CB-CG 4.27Å; A87-L89 PolarHBondContact O-N 3.38Å; L89-K91 PolarHBondContact O-N 2.87Å; L89-R92 HydrophobicContact CB-CB 4.47Å; L89-R92 WeakPolarHBondContact O-CB 3.3Å; L89-R92 WeakPolarHBondContact O-CG 3.16Å; L89-R92 PolarHBondContact O-N 2.93Å; L89-R92 PolarHBondContact O-NH1 3.4Å; L89-R92 VanDerWaalsContact O-NH1 3.07Å
90G90Very high93.2Very high53 Ų5328.8 Ų28.855%0.54619%0.188SC..THydrogen-bonded Turntrans63.3-128177.600000112.5G88 R92G88-G90 PolarHBondContact O-N 3.09Å; G90-R92 VanDerWaalsContact C-N 3.3Å; G90-R92 PolarHBondContact O-N 3.31Å
91K89.9Confident93Very high100 Ų10025.8 Ų25.844%0.43516%0.156SC..THydrogen-bonded Turntrans-832-177.263.6172.9179.2156.70114.7L26 I28 E60 L89L26-K91 HydrophobicContact CD2-CD 4.1Å; I28-K91 VanDerWaalsContact CG2-O 3.31Å; I28-K91 WeakPolarHBondContact CG2-O 3.22Å; E60-K91 WeakPolarHBondContact OE1-CE 3.39Å; E60-K91 IonicContact OE1-NZ 3.8Å; E60-K91 PolarHBondContact OE1-NZ 2.71Å; L89-K91 PolarHBondContact O-N 2.87Å
92R92.7Very high92.9Very high8 Ų825.8 Ų25.83%0.0315%0.151CC..PPolyproline II helixtrans-73.3154.3-170.2-68.4-179.8-178.365.611.3113.4E53 P59 E60 V84 L89 G90E53-R92 IonicContact OE1-CZ 3.55Å; E53-R92 IonicContact OE1-NH1 3.93Å; E53-R92 PolarHBondContact OE1-NH1 3.44Å; E53-R92 IonicContact OE1-NH2 2.69Å; E53-R92 PolarHBondContact OE1-NH2 3.32Å; E53-R92 VanDerWaalsContact OE1-NH2 3.17Å; E53-R92 IonicContact OE2-CZ 2.77Å; E53-R92 IonicContact OE2-NH1 2.65Å; E53-R92 IonicContact OE2-NH2 3.41Å; E53-R92 PolarHBondContact OE2-NH2 3.44Å; P59-R92 PolarHBondContact O-NE 2.86Å; P59-R92 VanDerWaalsContact O-NE 3.13Å; E60-R92 VanDerWaalsContact O-CA 3.24Å; E60-R92 WeakPolarHBondContact O-CA 3.49Å; E60-R92 VanDerWaalsContact O-CB 3.27Å; E60-R92 WeakPolarHBondContact O-CB 3.38Å; E60-R92 WeakPolarHBondContact O-CG 3.31Å; V84-R92 VanDerWaalsContact CG1-O 3.32Å; V84-R92 WeakPolarHBondContact CG1-O 3.3Å; L89-R92 HydrophobicContact CB-CB 4.47Å; L89-R92 WeakPolarHBondContact O-CB 3.3Å; L89-R92 WeakPolarHBondContact O-CG 3.16Å; L89-R92 PolarHBondContact O-N 2.93Å; L89-R92 PolarHBondContact O-NH1 3.4Å; L89-R92 VanDerWaalsContact O-NH1 3.07Å; G90-R92 VanDerWaalsContact C-N 3.3Å; G90-R92 PolarHBondContact O-N 3.31Å
93G92.7Very high92.4Very high0 Ų028.4 Ų28.40%016%0.162CC..EExtended strand (participates in β ladder)trans-88.4135.1166.200000110.8I28 E60 F61 S62I28-G93 VanDerWaalsContact CD1-N 3.3Å; E60-G93 PolarHBondContact O-N 3.14Å; E60-G93 VanDerWaalsContact O-N 3.09Å; F61-G93 CarbonylContact C-O 3.59Å; F61-G93 WeakPolarHBondContact CA-O 3.39Å; S62-G93 PolarHBondContact N-O 3.41Å; S62-G93 PolarHBondContact OG-O 3.34Å
94A94.4Very high91.4Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-95126.8172.300000111.5S62 A64 I83 V84 P140 I141S62-A94 WeakPolarHBondContact OG-CA 3.5Å; A64-A94 HydrophobicContact CB-CB 4.47Å; I83-A94 HydrophobicContact CG2-CB 3.55Å; V84-A94 HydrophobicContact CG2-CB 3.56Å; A94-P140 WeakPolarHBondContact O-CB 3.39Å; A94-I141 WeakPolarHBondContact O-CG1 3.43Å; A94-I141 PolarHBondContact O-N 2.99Å
95V96.1Very high90.5Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-101.9113.4172.5-175.60000107.2L36 F61 S62 A64 F97 I141 V142 L193 F268L36-V95 HydrophobicContact CD1-CB 4.08Å; L36-V95 HydrophobicContact CD1-CG1 4.25Å; L36-V95 HydrophobicContact CD1-CG2 4.36Å; L36-V95 HydrophobicContact CD2-CG2 4Å; F61-V95 HydrophobicContact CB-CG2 4.49Å; F61-V95 HydrophobicContact CD1-CG2 4.15Å; S62-V95 PolarHBondContact O-N 3.22Å; A64-V95 PolarHBondContact N-O 3.07Å; V95-F97 HydrophobicContact CB-CE2 3.8Å; V95-F97 HydrophobicContact CB-CZ 4.45Å; V95-F97 HydrophobicContact CG1-CD2 4.07Å; V95-F97 HydrophobicContact CG1-CE1 4.48Å; V95-F97 HydrophobicContact CG1-CE2 3.21Å; V95-F97 HydrophobicContact CG1-CZ 3.46Å; V95-F97 VanDerWaalsContact CG1-CZ 3.46Å; V95-F97 WeakPolarHBondContact O-CD2 3.27Å; V95-I141 HydrophobicContact CG2-CD1 4.15Å; V95-I141 HydrophobicContact CG2-CG1 4.44Å; V95-V142 WeakPolarHBondContact CA-O 3.45Å; V95-V142 HydrophobicContact CB-CG1 4.13Å; V95-V142 HydrophobicContact CG1-CG1 3.65Å; V95-V142 HydrophobicContact CG2-CG1 3.93Å; V95-L193 HydrophobicContact CG1-CD1 4.03Å; V95-F268 HydrophobicContact CG1-CE1 4.17Å
96L96.4Very high89.5Confident1 Ų130.1 Ų30.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-93.8123.5-173.8-175.964.8000111.3A64 M66 V69 A138 P140 V142 Y143 Q144A64-L96 HydrophobicContact CB-CD1 3.98Å; A64-L96 CarbonylContact O-C 3.59Å; A64-L96 WeakPolarHBondContact O-CA 3.49Å; M66-L96 HydrophobicContact CE-CD2 3.5Å; M66-L96 HydrophobicContact CE-CG 4.15Å; M66-L96 HydrophobicContact SD-CD2 4.19Å; V69-L96 HydrophobicContact CG2-CD1 3.87Å; L96-A138 HydrophobicContact CD2-CB 4Å; L96-P140 HydrophobicContact CB-CB 3.89Å; L96-P140 HydrophobicContact CB-CG 3.9Å; L96-P140 HydrophobicContact CD2-CG 4.13Å; L96-V142 PolarHBondContact N-O 2.81Å; L96-Y143 CarbonylContact O-C 3.41Å; L96-Y143 VanDerWaalsContact O-CA 3.3Å; L96-Y143 WeakPolarHBondContact O-CA 3.4Å; L96-Q144 PolarHBondContact O-N 3.45Å
97F96.6Very high88.6Confident2 Ų230.4 Ų30.41%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-112157.4177.6-65.6-94.6000111.3L36 F63 A64 M66 V95 Q144 L193 V221 F268 T270L36-F97 HydrophobicContact CD1-CE2 3.44Å; L36-F97 VanDerWaalsContact CD1-CE2 3.44Å; L36-F97 HydrophobicContact CD1-CZ 3.76Å; F63-F97 AromaticContact CD2-CD2 3.32Å; F63-F97 HydrophobicContact CD2-CD2 3.32Å; F63-F97 AromaticContact CD2-CE2 3.47Å; F63-F97 HydrophobicContact CD2-CE2 3.47Å; F63-F97 VanDerWaalsContact CD2-CE2 3.47Å; F63-F97 HydrophobicContact CD2-CG 4.11Å; F63-F97 HydrophobicContact CD2-CZ 4.36Å; F63-F97 HydrophobicContact CE2-CB 3.75Å; F63-F97 HydrophobicContact CE2-CD1 4.2Å; F63-F97 AromaticContact CE2-CD2 3.13Å; F63-F97 HydrophobicContact CE2-CD2 3.13Å; F63-F97 AromaticContact CE2-CE2 3.67Å; F63-F97 HydrophobicContact CE2-CE2 3.67Å; F63-F97 AromaticContact CE2-CG 3.43Å; F63-F97 HydrophobicContact CE2-CG 3.43Å; F63-F97 VanDerWaalsContact CE2-CG 3.43Å; F63-F97 HydrophobicContact CE2-CZ 4.39Å; F63-F97 HydrophobicContact CG-CD2 4.11Å; F63-F97 HydrophobicContact CG-CE2 4.36Å; F63-F97 HydrophobicContact CZ-CB 3.63Å; F63-F97 AromaticContact CZ-CD2 3.77Å; F63-F97 HydrophobicContact CZ-CD2 3.77Å; F63-F97 AromaticContact CZ-CG 3.88Å; F63-F97 HydrophobicContact CZ-CG 3.88Å; A64-F97 PolarHBondContact O-N 2.88Å; M66-F97 WeakPolarHBondContact CB-O 3.29Å; M66-F97 PolarHBondContact N-O 3.3Å; V95-F97 HydrophobicContact CB-CE2 3.8Å; V95-F97 HydrophobicContact CB-CZ 4.45Å; V95-F97 HydrophobicContact CG1-CD2 4.07Å; V95-F97 HydrophobicContact CG1-CE1 4.48Å; V95-F97 HydrophobicContact CG1-CE2 3.21Å; V95-F97 HydrophobicContact CG1-CZ 3.46Å; V95-F97 VanDerWaalsContact CG1-CZ 3.46Å; V95-F97 WeakPolarHBondContact O-CD2 3.27Å; F97-Q144 HydrophobicContact CD1-CB 4.4Å; F97-L193 HydrophobicContact CE1-CD1 4.47Å; F97-V221 HydrophobicContact CD1-CG1 4.47Å; F97-V221 HydrophobicContact CD1-CG2 4.41Å; F97-V221 HydrophobicContact CE1-CG1 4.34Å; F97-V221 HydrophobicContact CE1-CG2 3.9Å; F97-F268 HydrophobicContact CE1-CD1 4.47Å; F97-F268 AromaticContact CZ-CD1 3.91Å; F97-F268 HydrophobicContact CZ-CD1 3.91Å; F97-F268 HydrophobicContact CZ-CE1 4.45Å; F97-T270 HydrophobicContact CD1-CG2 3.72Å; F97-T270 HydrophobicContact CE1-CG2 3.69Å; F97-T270 HydrophobicContact CG-CG2 4.48Å; F97-T270 HydrophobicContact CZ-CG2 4.44Å
98Q95.3Very high88Confident0 Ų032.4 Ų32.40%020%0.203CC..SBendtrans-64.2-44.7-180178.8169.9-63.300112.3V117 Y131 T147Q98-V117 HydrophobicContact CG-CG1 4.33Å; Q98-Y131 HydrophobicContact CB-CE2 4.42Å; Q98-Y131 HydrophobicContact CG-CE2 4.26Å; Q98-T147 PolarHBondContact NE2-O 3.42Å; Q98-T147 PolarHBondContact OE1-O 3.25Å
99S91.6Very high87.6Confident28 Ų2831.4 Ų31.420%0.19619%0.191CC..SBendtrans-125.2149.1-172.3-60.20000111.4F63F63-S99 WeakPolarHBondContact CZ-O 3.34Å
100D92.1Very high87.4Confident13 Ų1331.9 Ų31.97%0.0719%0.194CC..  trans-76.1126.6169.6-172.4-40.9000108.8Y38 C65 T102 H103Y38-D100 VanDerWaalsContact OH-CG 3.24Å; Y38-D100 PolarHBondContact OH-OD1 3.03Å; Y38-D100 PolarHBondContact OH-OD2 3.06Å; C65-D100 HydrophobicContact CB-CB 4.26Å; C65-D100 PolarHBondContact SG-N 2.92Å; C65-D100 VanDerWaalsContact SG-N 3.35Å; D100-T102 PolarHBondContact O-N 3.07Å; D100-T102 VanDerWaalsContact O-N 3.16Å; D100-T102 WeakPolarHBondContact OD1-CB 3.2Å; D100-T102 PolarHBondContact OD1-N 3.34Å; D100-T102 PolarHBondContact OD1-OG1 3.22Å; D100-H103 HydrophobicContact CB-CB 4.28Å; D100-H103 PolarHBondContact O-N 3.48Å; D100-H103 VanDerWaalsContact O-N 3.14Å
101P90.7Very high87.5Confident4 Ų432.1 Ų32.13%0.02618%0.183CC..THydrogen-bonded Turntrans-60.3-27.6179.826.2-37.5000112.5Y38 F63 H103 Q271 D290 R296Y38-P101 HydrophobicContact CD2-CG 4.27Å; Y38-P101 HydrophobicContact CE2-CG 3.87Å; F63-P101 HydrophobicContact CE2-CG 4.38Å; F63-P101 HydrophobicContact CZ-CG 4.18Å; P101-H103 VanDerWaalsContact C-N 3.28Å; P101-H103 PolarHBondContact O-N 3Å; P101-Q271 HydrophobicContact CB-CG 4.46Å; P101-Q271 PolarHBondContact O-NE2 2.99Å; P101-Q271 PolarHBondContact O-OE1 2.96Å; P101-D290 HydrophobicContact CB-CB 4.35Å; P101-D290 HydrophobicContact CG-CB 3.99Å; P101-R296 PolarHBondContact O-NH2 3.17Å
102T88.4Confident87.6Confident26 Ų2635.2 Ų35.216%0.1620%0.196CC..THydrogen-bonded Turntrans-80.7-12.6-177.171.40000113Y38 D100 Y295 R296Y38-T102 HydrophobicContact CE1-CG2 4.09Å; Y38-T102 HydrophobicContact CE2-CG2 4.03Å; Y38-T102 VanDerWaalsContact OH-CG2 3.27Å; Y38-T102 WeakPolarHBondContact OH-CG2 3.49Å; Y38-T102 PolarHBondContact OH-OG1 3.04Å; D100-T102 PolarHBondContact O-N 3.07Å; D100-T102 VanDerWaalsContact O-N 3.16Å; D100-T102 WeakPolarHBondContact OD1-CB 3.2Å; D100-T102 PolarHBondContact OD1-N 3.34Å; D100-T102 PolarHBondContact OD1-OG1 3.22Å; T102-Y295 HydrophobicContact CG2-CD1 3.53Å; T102-Y295 HydrophobicContact CG2-CE1 3.65Å; T102-R296 HydrophobicContact CG2-CG 4.43Å
103H81.7Confident87.5Confident58 Ų5837.9 Ų37.927%0.26922%0.216SC..SBendtrans-112.6120.6-179.7-73.1-164.9000110R40 Y41 D100 P101R40-H103 PolarHBondContact NH2-NE2 3.36Å; R40-H103 VanDerWaalsContact NH2-NE2 3.19Å; Y41-H103 PolarHBondContact OH-CE1 2.86Å; D100-H103 HydrophobicContact CB-CB 4.28Å; D100-H103 PolarHBondContact O-N 3.48Å; D100-H103 VanDerWaalsContact O-N 3.14Å; P101-H103 VanDerWaalsContact C-N 3.28Å; P101-H103 PolarHBondContact O-N 3Å
104L72.7Confident87.6Confident46 Ų4638.3 Ų38.324%0.24122%0.219CC..  trans-83.8141.9172.6-61.7-176.8000110.8I106 L154 L226 L229L104-I106 PolarHBondContact O-N 3.26Å; L104-L154 HydrophobicContact CD1-CD1 3.85Å; L104-L154 HydrophobicContact CD1-CD2 4.25Å; L104-L154 HydrophobicContact CD1-CG 4.25Å; L104-L226 HydrophobicContact CD2-CD1 4.39Å; L104-L226 HydrophobicContact CD2-CD2 3.28Å; L104-L226 HydrophobicContact CD2-CG 4.46Å; L104-L229 HydrophobicContact CD1-CB 4.22Å; L104-L229 HydrophobicContact CD1-CD1 3.29Å; L104-L229 HydrophobicContact CD1-CG 4.35Å; L104-L229 HydrophobicContact CD2-CD1 4.01Å; L104-L229 HydrophobicContact CG-CD1 3.88Å
105A74.8Confident87.6Confident23 Ų2338.3 Ų38.319%0.1922%0.219CC..  trans-63.2128.6165.700000109.3W118 L153A105-W118 HydrophobicContact CB-CZ2 4.15Å; A105-W118 VanDerWaalsContact CB-NE1 3.29Å; A105-L153 HydrophobicContact CB-CD2 3.9Å; A105-L153 VanDerWaalsContact O-CD2 3.25Å; A105-L153 WeakPolarHBondContact O-CD2 3.27Å
106I71.3Confident87.5Confident140 Ų14038.4 Ų38.472%0.71822%0.22SC*.SBendtrans-86-29.5-177.8-53.6173.6000110.5L104 W118L104-I106 PolarHBondContact O-N 3.26Å; I106-W118 HydrophobicContact CB-CH2 3.97Å; I106-W118 HydrophobicContact CB-CZ3 4.29Å; I106-W118 HydrophobicContact CD1-CZ3 4.32Å; I106-W118 HydrophobicContact CG1-CH2 4.47Å; I106-W118 HydrophobicContact CG1-CZ3 4.36Å
107V77.1Confident87.4Confident79 Ų7938.4 Ų38.448%0.47922%0.22SC..SBendtrans-139.4137.6-175-177.80000109.9A109 W118V107-A109 PolarHBondContact O-N 2.93Å; V107-W118 HydrophobicContact CB-CH2 4.36Å
108A78.6Confident87Confident58 Ų5840.8 Ų40.848%0.47923%0.229SC..  trans-65.4124.1171.400000110.7E150 L153A108-E150 WeakPolarHBondContact CA-OE2 3.15Å; A108-L153 HydrophobicContact CB-CD1 3.45Å; A108-L153 VanDerWaalsContact CB-CD1 3.45Å
109A84.8Confident86.7Confident17 Ų1741.5 Ų41.514%0.1423%0.233CC..  trans-140.64.7-175.800000114.2V107 P116 Q125 E150V107-A109 PolarHBondContact O-N 2.93Å; A109-P116 HydrophobicContact CB-CB 3.89Å; A109-P116 HydrophobicContact CB-CG 3.97Å; A109-Q125 PolarHBondContact O-NE2 3.04Å; A109-E150 PolarHBondContact N-OE1 3.39Å; A109-E150 PolarHBondContact N-OE2 3.38Å
110V88.2Confident86.4Confident13 Ų1344.3 Ų44.38%0.07925%0.249CC..  trans-71.1132.3179.2177.80000112.6P116 D148 E150 R169 Y173V110-P116 HydrophobicContact CG2-CG 3.86Å; V110-D148 HydrophobicContact CG1-CB 3.69Å; V110-D148 VanDerWaalsContact CG1-CG 3.44Å; V110-E150 HydrophobicContact CG2-CB 4.44Å; V110-E150 VanDerWaalsContact CG2-CD 3.49Å; V110-E150 HydrophobicContact CG2-CG 3.94Å; V110-E150 VanDerWaalsContact CG2-OE2 3.25Å; V110-E150 WeakPolarHBondContact CG2-OE2 3.42Å; V110-E150 PolarHBondContact N-OE2 2.76Å; V110-E150 VanDerWaalsContact N-OE2 3.08Å; V110-R169 PolarHBondContact O-NH1 3.35Å; V110-Y173 HydrophobicContact CG1-CE2 4.41Å; V110-Y173 WeakPolarHBondContact CG1-OH 3.49Å
111D91Very high86.2Confident58 Ų5847 Ų4731%0.3128%0.28SS..  trans-130.5175.9174.976.248000113.2S113 S114 Y173D111-S113 PolarHBondContact O-N 3.45Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 PolarHBondContact OD1-N 2.86Å; D111-S113 PolarHBondContact OD1-OG 2.99Å; D111-S114 PolarHBondContact N-O 3.19Å; D111-S114 VanDerWaalsContact O-O 3.11Å; D111-S114 PolarHBondContact OD1-N 2.76Å; D111-S114 PolarHBondContact OD1-OG 2.79Å; D111-S114 VanDerWaalsContact OD1-OG 3.13Å; D111-S114 PolarHBondContact OD2-OG 3.3Å; D111-Y173 WeakPolarHBondContact O-CE1 3.4Å; D111-Y173 PolarHBondContact O-OH 3.08Å
112K91.7Very high86.1Confident165 Ų16548.1 Ų48.172%0.71729%0.292SS*.SBendtrans-64.6-13.4-173.5-64.7-179.6-180177.80115.7K176K112-K176 PolarHBondContact O-NZ 2.74Å
113S91.3Very high86.2Confident65 Ų6553 Ų5346%0.45531%0.307SS..SBendtrans-125.8-12.6-170.738.10000114.1D111 I128D111-S113 PolarHBondContact O-N 3.45Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 PolarHBondContact OD1-N 2.86Å; D111-S113 PolarHBondContact OD1-OG 2.99Å; S113-I128 PolarHBondContact O-N 3.2Å
114S94.9Very high86.8Confident9 Ų953.3 Ų53.36%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-149155.3-174.771.20000112.3D111 Q125 L126D111-S114 PolarHBondContact N-O 3.19Å; D111-S114 VanDerWaalsContact O-O 3.11Å; D111-S114 PolarHBondContact OD1-N 2.76Å; D111-S114 PolarHBondContact OD1-OG 2.79Å; D111-S114 VanDerWaalsContact OD1-OG 3.13Å; D111-S114 PolarHBondContact OD2-OG 3.3Å; S114-Q125 WeakPolarHBondContact OG-CG 3.49Å; S114-Q125 PolarHBondContact OG-NE2 2.79Å; S114-L126 CarbonylContact C-O 3.36Å; S114-L126 WeakPolarHBondContact CA-O 3.31Å; S114-L126 WeakPolarHBondContact CB-O 3.48Å
115V95.3Very high87.9Confident0 Ų054 Ų540%031%0.313CS..EExtended strand (participates in β ladder)trans-120.9142.4175.5-65.90000109.9L126 Y131 P146 Y173V115-L126 PolarHBondContact N-O 2.8Å; V115-L126 PolarHBondContact O-N 3.01Å; V115-Y131 HydrophobicContact CG2-CD2 3.7Å; V115-Y131 HydrophobicContact CG2-CE2 4.06Å; V115-P146 HydrophobicContact CG1-CB 3.85Å; V115-P146 HydrophobicContact CG2-CB 4.06Å; V115-Y173 HydrophobicContact CG1-CD2 4.13Å; V115-Y173 HydrophobicContact CG1-CE2 3.73Å
116P93.5Very high88.9Confident2 Ų253.4 Ų53.41%0.01331%0.306CS..EExtended strand (participates in β ladder)trans-78.1143.5172.932.1-31.8000110.4A109 V110 R123 L124 E150A109-P116 HydrophobicContact CB-CB 3.89Å; A109-P116 HydrophobicContact CB-CG 3.97Å; V110-P116 HydrophobicContact CG2-CG 3.86Å; P116-R123 HydrophobicContact CB-CG 4.02Å; P116-L124 WeakPolarHBondContact CA-O 3.38Å; P116-E150 WeakPolarHBondContact CG-OE1 3.37Å
117V93Very high90.1Very high0 Ų048.8 Ų48.80%029%0.287CS..EExtended strand (participates in β ladder)trans-126.5144.1163-590000108.8M66 A70 Q98 T119 L124 L126M66-V117 HydrophobicContact CB-CG1 4.12Å; M66-V117 HydrophobicContact CG-CG1 3.87Å; A70-V117 HydrophobicContact CB-CG2 4.01Å; Q98-V117 HydrophobicContact CG-CG1 4.33Å; V117-T119 HydrophobicContact CG2-CG2 4.47Å; V117-L124 HydrophobicContact CG2-CB 3.93Å; V117-L124 PolarHBondContact N-O 3.48Å; V117-L124 PolarHBondContact O-N 2.98Å; V117-L126 HydrophobicContact CB-CD1 4.48Å; V117-L126 HydrophobicContact CG1-CD1 3.85Å; V117-L126 HydrophobicContact CG1-CG 4.45Å; V117-L126 HydrophobicContact CG2-CD1 3.76Å; V117-L126 HydrophobicContact CG2-CG 3.96Å
118W89.2Confident91Very high53 Ų5345.4 Ų45.420%0.20127%0.266CS..EExtended strand (participates in β ladder)trans-101.4133.2-177.6-63.587.9000109.8A105 I106 V107 R123A105-W118 HydrophobicContact CB-CZ2 4.15Å; A105-W118 VanDerWaalsContact CB-NE1 3.29Å; I106-W118 HydrophobicContact CB-CH2 3.97Å; I106-W118 HydrophobicContact CB-CZ3 4.29Å; I106-W118 HydrophobicContact CD1-CZ3 4.32Å; I106-W118 HydrophobicContact CG1-CH2 4.47Å; I106-W118 HydrophobicContact CG1-CZ3 4.36Å; V107-W118 HydrophobicContact CB-CH2 4.36Å; W118-R123 HydrophobicContact CD2-CB 4.41Å; W118-R123 HydrophobicContact CE3-CB 4.02Å; W118-R123 HydrophobicContact CH2-CB 4.12Å; W118-R123 HydrophobicContact CH2-CG 4.41Å; W118-R123 HydrophobicContact CZ2-CB 4.49Å; W118-R123 HydrophobicContact CZ2-CG 4.32Å; W118-R123 HydrophobicContact CZ3-CB 3.87Å
119T89.1Confident91.7Very high14 Ų1443.4 Ų43.49%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-130.3173.6-174.274.40000110.2G67 E71 V117 G121 G122 L124G67-T119 WeakPolarHBondContact O-CG2 3.47Å; E71-T119 HydrophobicContact CB-CG2 4.03Å; V117-T119 HydrophobicContact CG2-CG2 4.47Å; T119-G121 PolarHBondContact O-N 2.92Å; T119-G121 PolarHBondContact OG1-N 3.34Å; T119-G122 WeakPolarHBondContact CB-O 3.36Å; T119-G122 PolarHBondContact N-O 2.83Å; T119-G122 PolarHBondContact O-N 3.5Å; T119-G122 VanDerWaalsContact O-N 3.09Å; T119-G122 PolarHBondContact OG1-N 2.97Å; T119-G122 PolarHBondContact OG1-O 3.15Å; T119-L124 HydrophobicContact CG2-CB 4.49Å; T119-L124 HydrophobicContact CG2-CD1 3.66Å; T119-L124 HydrophobicContact CG2-CG 3.85Å
120T85.8Confident92.1Very high87 Ų8746 Ų4653%0.53426%0.26SS..THydrogen-bonded Turntrans-62.7-34.3173.441.80000112.2Y41 E71 G122Y41-T120 HydrophobicContact CE1-CG2 3.67Å; Y41-T120 HydrophobicContact CE2-CG2 4.1Å; Y41-T120 WeakPolarHBondContact OH-CG2 3.45Å; E71-T120 PolarHBondContact OE1-N 2.48Å; E71-T120 PolarHBondContact OE1-OG1 3.17Å; E71-T120 PolarHBondContact OE2-OG1 3.37Å; E71-T120 VanDerWaalsContact OE2-OG1 3.07Å; T120-G122 PolarHBondContact O-N 2.92Å
121G86.7Confident92.5Very high70 Ų7045.4 Ų45.472%0.72226%0.256SS*.THydrogen-bonded Turntrans-78.97.9173.500000115.3E71 T119E71-G121 PolarHBondContact OE1-N 3.48Å; T119-G121 PolarHBondContact O-N 2.92Å; T119-G121 PolarHBondContact OG1-N 3.34Å
122G88.7Confident92.6Very high27 Ų2743 Ų4328%0.27824%0.243SC..EExtended strand (participates in β ladder)trans99.5-158.1-178.300000113.9T119 T120T119-G122 WeakPolarHBondContact CB-O 3.36Å; T119-G122 PolarHBondContact N-O 2.83Å; T119-G122 PolarHBondContact O-N 3.5Å; T119-G122 VanDerWaalsContact O-N 3.09Å; T119-G122 PolarHBondContact OG1-N 2.97Å; T119-G122 PolarHBondContact OG1-O 3.15Å; T120-G122 PolarHBondContact O-N 2.92Å
123R91.7Very high92.6Very high128 Ų12840.4 Ų40.448%0.48323%0.232SC..EExtended strand (participates in β ladder)trans-77.5126.1-174.4-173-168.369.8-177.82.6111.4P116 W118P116-R123 HydrophobicContact CB-CG 4.02Å; W118-R123 HydrophobicContact CD2-CB 4.41Å; W118-R123 HydrophobicContact CE3-CB 4.02Å; W118-R123 HydrophobicContact CH2-CB 4.12Å; W118-R123 HydrophobicContact CH2-CG 4.41Å; W118-R123 HydrophobicContact CZ2-CB 4.49Å; W118-R123 HydrophobicContact CZ2-CG 4.32Å; W118-R123 HydrophobicContact CZ3-CB 3.87Å
124L93.9Very high92.8Very high65 Ų6537.4 Ų37.434%0.3421%0.211SC..EExtended strand (participates in β ladder)trans-106.2131.9164.8-61.3-178000109.7A70 P116 V117 T119A70-L124 HydrophobicContact CB-CD1 4.08Å; P116-L124 WeakPolarHBondContact CA-O 3.38Å; V117-L124 HydrophobicContact CG2-CB 3.93Å; V117-L124 PolarHBondContact N-O 3.48Å; V117-L124 PolarHBondContact O-N 2.98Å; T119-L124 HydrophobicContact CG2-CB 4.49Å; T119-L124 HydrophobicContact CG2-CD1 3.66Å; T119-L124 HydrophobicContact CG2-CG 3.85Å
125Q95.3Very high92.8Very high60 Ų6037 Ų3728%0.2821%0.208SC..EExtended strand (participates in β ladder)trans-94.8117.7173.9-162.573.814.400108.8A109 S114A109-Q125 PolarHBondContact O-NE2 3.04Å; S114-Q125 WeakPolarHBondContact OG-CG 3.49Å; S114-Q125 PolarHBondContact OG-NE2 2.79Å
126L96.4Very high92.6Very high11 Ų1140.6 Ų40.66%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-105.9118.9-179.2-57.5-176.4000110.2M66 A70 S114 V115 V117 E130 Y131M66-L126 HydrophobicContact CG-CD1 3.89Å; A70-L126 HydrophobicContact CB-CD1 3.98Å; A70-L126 HydrophobicContact CB-CD2 4.15Å; S114-L126 CarbonylContact C-O 3.36Å; S114-L126 WeakPolarHBondContact CA-O 3.31Å; S114-L126 WeakPolarHBondContact CB-O 3.48Å; V115-L126 PolarHBondContact N-O 2.8Å; V115-L126 PolarHBondContact O-N 3.01Å; V117-L126 HydrophobicContact CB-CD1 4.48Å; V117-L126 HydrophobicContact CG1-CD1 3.85Å; V117-L126 HydrophobicContact CG1-CG 4.45Å; V117-L126 HydrophobicContact CG2-CD1 3.76Å; V117-L126 HydrophobicContact CG2-CG 3.96Å; L126-E130 HydrophobicContact CB-CB 4.38Å; L126-E130 HydrophobicContact CD2-CB 4.39Å; L126-Y131 HydrophobicContact CD1-CD2 4.26Å
127S96.2Very high92.6Very high44 Ų4442 Ų4231%0.30823%0.232SC..EExtended strand (participates in β ladder)trans-59.2159.1162.3650000110.7G129 E130 Y131S127-G129 PolarHBondContact O-N 2.79Å; S127-E130 WeakPolarHBondContact CB-OE2 3.45Å; S127-E130 PolarHBondContact N-OE2 3.24Å; S127-E130 PolarHBondContact O-N 3.12Å; S127-E130 WeakPolarHBondContact OG-CB 3.5Å; S127-E130 VanDerWaalsContact OG-CG 3.24Å; S127-E130 WeakPolarHBondContact OG-CG 3.4Å; S127-E130 PolarHBondContact OG-N 3.29Å; S127-E130 PolarHBondContact OG-OE2 3.41Å; S127-Y131 PolarHBondContact O-N 3.28Å
128I94.9Very high92.6Very high8 Ų842 Ų424%0.04123%0.232CC..Hα-helixtrans-59.8-35.9179.1-52.1-51.4000112.1S113 Y131 Y132 P146 Y173 K176 L177S113-I128 PolarHBondContact O-N 3.2Å; I128-Y131 WeakPolarHBondContact O-CB 3.32Å; I128-Y131 PolarHBondContact O-N 3.34Å; I128-Y132 PolarHBondContact O-N 2.77Å; I128-P146 HydrophobicContact CD1-CB 4.04Å; I128-P146 HydrophobicContact CD1-CG 4.05Å; I128-Y173 HydrophobicContact CD1-CD1 3.51Å; I128-Y173 HydrophobicContact CD1-CE1 4.17Å; I128-Y173 HydrophobicContact CD1-CG 3.88Å; I128-Y173 HydrophobicContact CG1-CD1 4.11Å; I128-K176 HydrophobicContact CB-CB 4.34Å; I128-K176 HydrophobicContact CG1-CB 4.33Å; I128-K176 HydrophobicContact CG1-CD 4.14Å; I128-K176 HydrophobicContact CG2-CB 3.92Å; I128-L177 HydrophobicContact CG2-CB 4.1Å
129G92.9Very high92.7Very high15 Ų1541.9 Ų41.916%0.15524%0.239CC..Hα-helixtrans-66.9-36.6173.800000113.1S127 K133S127-G129 PolarHBondContact O-N 2.79Å; G129-K133 VanDerWaalsContact O-CG 3.27Å; G129-K133 WeakPolarHBondContact O-CG 3.46Å; G129-K133 PolarHBondContact O-N 2.82Å
130E95Very high92.9Very high73 Ų7341.4 Ų41.434%0.34124%0.236SC..Hα-helixtrans-69.5-40.2173.2-74.1167.912900112.2L126 S127 Y132 K133 C134L126-E130 HydrophobicContact CB-CB 4.38Å; L126-E130 HydrophobicContact CD2-CB 4.39Å; S127-E130 WeakPolarHBondContact CB-OE2 3.45Å; S127-E130 PolarHBondContact N-OE2 3.24Å; S127-E130 PolarHBondContact O-N 3.12Å; S127-E130 WeakPolarHBondContact OG-CB 3.5Å; S127-E130 VanDerWaalsContact OG-CG 3.24Å; S127-E130 WeakPolarHBondContact OG-CG 3.4Å; S127-E130 PolarHBondContact OG-N 3.29Å; S127-E130 PolarHBondContact OG-OE2 3.41Å; E130-Y132 VanDerWaalsContact C-N 3.31Å; E130-Y132 PolarHBondContact O-N 3.35Å; E130-K133 PolarHBondContact O-N 2.95Å; E130-K133 VanDerWaalsContact O-N 3.17Å; E130-C134 PolarHBondContact O-N 3.45Å; E130-C134 PolarHBondContact O-SG 3.22Å
131Y95.6Very high93.2Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-56.9-47.2173.3-165.8-78.1000110.6M66 Q98 V115 L126 S127 I128 K133 C134 S135 Y143 Q144 P146M66-Y131 HydrophobicContact CB-CE2 4.4Å; M66-Y131 HydrophobicContact CE-CD1 3.7Å; M66-Y131 HydrophobicContact CE-CD2 4.05Å; M66-Y131 HydrophobicContact CE-CE1 3.38Å; M66-Y131 HydrophobicContact CE-CE2 3.77Å; M66-Y131 HydrophobicContact CE-CG 4.02Å; M66-Y131 VanDerWaalsContact CE-CZ 3.41Å; M66-Y131 HydrophobicContact CG-CD2 4.14Å; M66-Y131 HydrophobicContact CG-CE2 3.81Å; Q98-Y131 HydrophobicContact CB-CE2 4.42Å; Q98-Y131 HydrophobicContact CG-CE2 4.26Å; V115-Y131 HydrophobicContact CG2-CD2 3.7Å; V115-Y131 HydrophobicContact CG2-CE2 4.06Å; L126-Y131 HydrophobicContact CD1-CD2 4.26Å; S127-Y131 PolarHBondContact O-N 3.28Å; I128-Y131 WeakPolarHBondContact O-CB 3.32Å; I128-Y131 PolarHBondContact O-N 3.34Å; Y131-K133 PolarHBondContact O-N 2.84Å; Y131-C134 PolarHBondContact O-N 2.98Å; Y131-S135 PolarHBondContact O-N 3.05Å; Y131-S135 PolarHBondContact O-OG 3.14Å; Y131-Y143 HydrophobicContact CE1-CD2 4.48Å; Y131-Q144 WeakPolarHBondContact CE1-O 3.24Å; Y131-Q144 PolarHBondContact OH-O 3.39Å; Y131-P146 HydrophobicContact CD1-CG 3.67Å; Y131-P146 HydrophobicContact CD2-CB 4.42Å; Y131-P146 HydrophobicContact CD2-CG 4.02Å; Y131-P146 HydrophobicContact CE1-CG 3.87Å; Y131-P146 HydrophobicContact CE2-CB 4.42Å; Y131-P146 HydrophobicContact CE2-CG 4.2Å; Y131-P146 HydrophobicContact CG-CG 3.75Å
132Y92.8Very high93.5Very high6 Ų635.3 Ų35.32%0.02418%0.184CC..Hα-helixtrans-57.8-47.7173.7170.6-94.4000112.2I128 E130 C134 S135 K136 L177 E180 H184 L187I128-Y132 PolarHBondContact O-N 2.77Å; E130-Y132 VanDerWaalsContact C-N 3.31Å; E130-Y132 PolarHBondContact O-N 3.35Å; Y132-C134 VanDerWaalsContact C-N 3.31Å; Y132-C134 PolarHBondContact O-N 3.35Å; Y132-S135 PolarHBondContact O-N 3.02Å; Y132-K136 HydrophobicContact CE1-CD 4.44Å; Y132-K136 WeakPolarHBondContact O-CB 3.41Å; Y132-K136 PolarHBondContact O-N 3.05Å; Y132-L177 HydrophobicContact CD2-CD1 4.22Å; Y132-E180 HydrophobicContact CD2-CB 4.36Å; Y132-E180 HydrophobicContact CG-CB 4.24Å; Y132-H184 HydrophobicContact CE1-CB 4.3Å; Y132-H184 AromaticContact CE1-CD2 3.74Å; Y132-H184 WeakPolarHBondContact OH-CB 3.3Å; Y132-L187 HydrophobicContact CD2-CD1 4.39Å; Y132-L187 HydrophobicContact CE1-CD1 4.35Å; Y132-L187 HydrophobicContact CE2-CB 3.81Å; Y132-L187 HydrophobicContact CE2-CD1 3.52Å; Y132-L187 HydrophobicContact CE2-CG 4.26Å; Y132-L187 VanDerWaalsContact CZ-CD1 3.48Å; Y132-L187 VanDerWaalsContact OH-CD1 3.29Å; Y132-L187 WeakPolarHBondContact OH-CD1 3.45Å
133K92.7Very high93.8Very high112 Ų11234.1 Ų34.149%0.48717%0.171SC..Hα-helixtrans-60.1-40.3177.8-72.5168.5-172.91740111.9G129 E130 Y131 K136 V137G129-K133 VanDerWaalsContact O-CG 3.27Å; G129-K133 WeakPolarHBondContact O-CG 3.46Å; G129-K133 PolarHBondContact O-N 2.82Å; E130-K133 PolarHBondContact O-N 2.95Å; E130-K133 VanDerWaalsContact O-N 3.17Å; Y131-K133 PolarHBondContact O-N 2.84Å; K133-K136 WeakPolarHBondContact O-CB 3.31Å; K133-K136 PolarHBondContact O-N 3.29Å; K133-V137 WeakPolarHBondContact O-CG2 3.21Å; K133-V137 PolarHBondContact O-N 2.87Å; K133-V137 VanDerWaalsContact O-N 3.08Å
134C95.2Very high94Very high2 Ų228 Ų281%0.01415%0.148CC..Hα-helixtrans-63.8-50174.3-69.80000111.2M66 V69 E130 Y131 Y132 K136 V137 A138M66-C134 HydrophobicContact CE-CB 4.19Å; M66-C134 HydrophobicContact SD-CB 3.34Å; M66-C134 WeakPolarHBondContact SD-CB 3.43Å; V69-C134 HydrophobicContact CG1-CB 3.83Å; V69-C134 VanDerWaalsContact CG1-O 3.31Å; V69-C134 WeakPolarHBondContact CG1-O 3.04Å; E130-C134 PolarHBondContact O-N 3.45Å; E130-C134 PolarHBondContact O-SG 3.22Å; Y131-C134 PolarHBondContact O-N 2.98Å; Y132-C134 VanDerWaalsContact C-N 3.31Å; Y132-C134 PolarHBondContact O-N 3.35Å; C134-K136 PolarHBondContact O-N 3.47Å; C134-V137 PolarHBondContact O-N 2.93Å; C134-A138 WeakPolarHBondContact O-CB 3.46Å; C134-A138 PolarHBondContact O-N 3.46Å
135S94.1Very high94.1Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-55-41.5175.1-64.70000111.9M66 Y131 Y132 S139 P140 Y143M66-S135 VanDerWaalsContact CE-OG 3.26Å; M66-S135 WeakPolarHBondContact CE-OG 3.46Å; Y131-S135 PolarHBondContact O-N 3.05Å; Y131-S135 PolarHBondContact O-OG 3.14Å; Y132-S135 PolarHBondContact O-N 3.02Å; S135-S139 PolarHBondContact O-N 2.68Å; S135-S139 VanDerWaalsContact O-N 3.08Å; S135-P140 WeakPolarHBondContact O-CD 3.39Å; S135-Y143 WeakPolarHBondContact OG-CD2 3.07Å
136K91.8Very high94.2Very high76 Ų7622.1 Ų22.133%0.3312%0.119SC..Hα-helixtrans-59.3-51.7176.9-176.7172-179.2171.90112.4Y132 K133 C134 S139 E186 L187Y132-K136 HydrophobicContact CE1-CD 4.44Å; Y132-K136 WeakPolarHBondContact O-CB 3.41Å; Y132-K136 PolarHBondContact O-N 3.05Å; K133-K136 WeakPolarHBondContact O-CB 3.31Å; K133-K136 PolarHBondContact O-N 3.29Å; C134-K136 PolarHBondContact O-N 3.47Å; K136-S139 PolarHBondContact O-N 3.41Å; K136-E186 WeakPolarHBondContact CE-OE2 3.46Å; K136-E186 IonicContact NZ-OE2 3.75Å; K136-E186 PolarHBondContact NZ-OE2 2.92Å; K136-L187 HydrophobicContact CB-CD1 3.36Å; K136-L187 HydrophobicContact CD-CD1 3.92Å; K136-L187 HydrophobicContact CG-CD1 3.49Å; K136-L187 VanDerWaalsContact CG-CD1 3.49Å
137V93.1Very high94.1Very high31 Ų3121.7 Ų21.719%0.18812%0.116CC..Hα-helixtrans-68.8-36.9-177.1167.30000111.7L76 T77 K133 C134 S139L76-V137 HydrophobicContact CB-CG1 3.3Å; T77-V137 WeakPolarHBondContact OG1-CG2 3.45Å; K133-V137 WeakPolarHBondContact O-CG2 3.21Å; K133-V137 PolarHBondContact O-N 2.87Å; K133-V137 VanDerWaalsContact O-N 3.08Å; C134-V137 PolarHBondContact O-N 2.93Å; V137-S139 PolarHBondContact O-N 3.02Å
138A93.7Very high94Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans-63.7-29.6173.300000112.4V69 G82 I83 L96 C134V69-A138 HydrophobicContact CB-CB 4.38Å; V69-A138 HydrophobicContact CG1-CB 3.74Å; V69-A138 HydrophobicContact CG2-CB 3.7Å; G82-A138 CarbonylContact C-O 3.42Å; G82-A138 WeakPolarHBondContact CA-O 3.48Å; I83-A138 HydrophobicContact CB-CB 4.39Å; I83-A138 WeakPolarHBondContact CG2-O 3.39Å; I83-A138 PolarHBondContact N-O 3.29Å; L96-A138 HydrophobicContact CD2-CB 4Å; C134-A138 WeakPolarHBondContact O-CB 3.46Å; C134-A138 PolarHBondContact O-N 3.46Å
139S91.8Very high93.6Very high51 Ų5120.2 Ų20.236%0.35711%0.105SC..  trans47.452.9-177.3-174.60000114S135 K136 V137 R190S135-S139 PolarHBondContact O-N 2.68Å; S135-S139 VanDerWaalsContact O-N 3.08Å; K136-S139 PolarHBondContact O-N 3.41Å; V137-S139 PolarHBondContact O-N 3.02Å; S139-R190 PolarHBondContact OG-NH1 3.31Å; S139-R190 PolarHBondContact OG-NH2 3.16Å; S139-R190 VanDerWaalsContact OG-NH2 3.09Å
140P92.8Very high93.1Very high4 Ų420 Ų203%0.02610%0.1CC..  trans-71.8167177.734.3-35.6000111.3A94 L96 S135 Y143 R190A94-P140 WeakPolarHBondContact O-CB 3.39Å; L96-P140 HydrophobicContact CB-CB 3.89Å; L96-P140 HydrophobicContact CB-CG 3.9Å; L96-P140 HydrophobicContact CD2-CG 4.13Å; S135-P140 WeakPolarHBondContact O-CD 3.39Å; P140-Y143 HydrophobicContact CG-CD1 4.25Å; P140-Y143 HydrophobicContact CG-CG 4.45Å; P140-R190 PolarHBondContact O-NH1 2.91Å
141I91.6Very high92.3Very high26 Ų2616.7 Ų16.713%0.1339%0.085CC..SBendtrans-71.9-34.9171.353.9154.2000111.3V2 E21 I23 F61 A94 V95V2-I141 HydrophobicContact CG2-CB 4.25Å; V2-I141 HydrophobicContact CG2-CD1 3.98Å; V2-I141 HydrophobicContact CG2-CG1 4.46Å; E21-I141 HydrophobicContact CG-CG2 4.27Å; I23-I141 HydrophobicContact CD1-CG2 3.83Å; I23-I141 HydrophobicContact CG1-CG2 4.49Å; F61-I141 HydrophobicContact CD1-CD1 3.33Å; F61-I141 HydrophobicContact CE1-CD1 3.2Å; F61-I141 HydrophobicContact CZ-CD1 4.37Å; A94-I141 WeakPolarHBondContact O-CG1 3.43Å; A94-I141 PolarHBondContact O-N 2.99Å; V95-I141 HydrophobicContact CG2-CD1 4.15Å; V95-I141 HydrophobicContact CG2-CG1 4.44Å
142V93.6Very high91Very high3 Ų319 Ų192%0.01810%0.095CC..EExtended strand (participates in β ladder)trans-153.8148.1178.672.50000108.4V2 V95 L96 S191 L193V2-V142 HydrophobicContact CG2-CB 4.17Å; V95-V142 WeakPolarHBondContact CA-O 3.45Å; V95-V142 HydrophobicContact CB-CG1 4.13Å; V95-V142 HydrophobicContact CG1-CG1 3.65Å; V95-V142 HydrophobicContact CG2-CG1 3.93Å; L96-V142 PolarHBondContact N-O 2.81Å; V142-S191 VanDerWaalsContact CA-O 3.24Å; V142-S191 WeakPolarHBondContact CA-O 3.19Å; V142-S191 WeakPolarHBondContact CG2-O 3.44Å; V142-L193 HydrophobicContact CG1-CD1 4.27Å; V142-L193 HydrophobicContact CG1-CG 4.4Å; V142-L193 HydrophobicContact CG2-CD1 4.28Å; V142-L193 HydrophobicContact CG2-CD2 3.56Å; V142-L193 HydrophobicContact CG2-CG 3.54Å
143Y94.9Very high89.8Confident1 Ų120 Ų200%0.00410%0.101CC..EExtended strand (participates in β ladder)trans-138.9146.7178.762.9-79.6000112.1L96 Y131 S135 P140 L177 L187 R190 S191 I192 L193L96-Y143 CarbonylContact O-C 3.41Å; L96-Y143 VanDerWaalsContact O-CA 3.3Å; L96-Y143 WeakPolarHBondContact O-CA 3.4Å; Y131-Y143 HydrophobicContact CE1-CD2 4.48Å; S135-Y143 WeakPolarHBondContact OG-CD2 3.07Å; P140-Y143 HydrophobicContact CG-CD1 4.25Å; P140-Y143 HydrophobicContact CG-CG 4.45Å; Y143-L177 HydrophobicContact CE2-CD1 4.34Å; Y143-L177 HydrophobicContact CE2-CD2 3.85Å; Y143-L187 HydrophobicContact CE1-CD2 4.37Å; Y143-R190 HydrophobicContact CE1-CB 4.27Å; Y143-S191 PolarHBondContact N-O 3.46Å; Y143-I192 HydrophobicContact CE1-CG1 4.1Å; Y143-I192 HydrophobicContact CE2-CG1 4.23Å; Y143-I192 CarbonylContact O-C 3.52Å; Y143-I192 WeakPolarHBondContact O-CA 3.39Å; Y143-L193 PolarHBondContact O-N 3.07Å
144Q96.7Very high88Confident0 Ų018.3 Ų18.30%010%0.097CC..EExtended strand (participates in β ladder)trans-66.1135.4174.4-169.7-173.70.800110.2L96 F97 Y131 S195 V221 D223L96-Q144 PolarHBondContact O-N 3.45Å; F97-Q144 HydrophobicContact CD1-CB 4.4Å; Y131-Q144 WeakPolarHBondContact CE1-O 3.24Å; Y131-Q144 PolarHBondContact OH-O 3.39Å; Q144-S195 VanDerWaalsContact CG-OG 3.22Å; Q144-S195 WeakPolarHBondContact CG-OG 3.41Å; Q144-S195 PolarHBondContact NE2-OG 3.3Å; Q144-V221 HydrophobicContact CG-CB 4.31Å; Q144-V221 HydrophobicContact CG-CG1 4.42Å; Q144-V221 HydrophobicContact CG-CG2 4.18Å; Q144-D223 PolarHBondContact NE2-OD2 2.76Å
145S95.7Very high86Confident1 Ų124.6 Ų24.61%0.00713%0.13CC..PPolyproline II helixtrans-68.6143.5166.451.30000110.4T147 L193 A194 S195S145-T147 PolarHBondContact O-N 3.02Å; S145-L193 WeakPolarHBondContact CB-O 3.32Å; S145-L193 PolarHBondContact N-O 2.73Å; S145-L193 PolarHBondContact OG-O 2.84Å; S145-A194 WeakPolarHBondContact OG-CA 3.25Å; S145-S195 PolarHBondContact O-OG 3.17Å; S145-S195 PolarHBondContact OG-N 3.35Å
146P96Very high84.2Confident0 Ų029 Ų290%016%0.157CC..PPolyproline II helixtrans-52.9142.1179.1-2228.8000111.5V115 I128 Y131 Y173V115-P146 HydrophobicContact CG1-CB 3.85Å; V115-P146 HydrophobicContact CG2-CB 4.06Å; I128-P146 HydrophobicContact CD1-CB 4.04Å; I128-P146 HydrophobicContact CD1-CG 4.05Å; Y131-P146 HydrophobicContact CD1-CG 3.67Å; Y131-P146 HydrophobicContact CD2-CB 4.42Å; Y131-P146 HydrophobicContact CD2-CG 4.02Å; Y131-P146 HydrophobicContact CE1-CG 3.87Å; Y131-P146 HydrophobicContact CE2-CB 4.42Å; Y131-P146 HydrophobicContact CE2-CG 4.2Å; Y131-P146 HydrophobicContact CG-CG 3.75Å; P146-Y173 HydrophobicContact CB-CD2 4.07Å; P146-Y173 HydrophobicContact CB-CG 4.15Å; P146-Y173 WeakPolarHBondContact O-CD2 3.45Å
147T95.2Very high83.1Confident2 Ų232.3 Ų32.31%0.01218%0.178CC..  trans-138.4147.5-173.3-170.70000112.1Q98 S145 N149 S195Q98-T147 PolarHBondContact NE2-O 3.42Å; Q98-T147 PolarHBondContact OE1-O 3.25Å; S145-T147 PolarHBondContact O-N 3.02Å; T147-N149 HydrophobicContact CG2-CB 3.87Å; T147-N149 PolarHBondContact O-N 3.33Å; T147-S195 VanDerWaalsContact CB-CB 3.49Å
148D93.5Very high82.2Confident1 Ų132.3 Ų32.31%0.00518%0.179CC..  trans-9284.9164.3-173.8-13.2000108.6V110 R162 S166 R169 T170 Y173V110-D148 HydrophobicContact CG1-CB 3.69Å; V110-D148 VanDerWaalsContact CG1-CG 3.44Å; D148-R162 VanDerWaalsContact CG-NH1 3.31Å; D148-R162 IonicContact OD1-CZ 3.52Å; D148-R162 IonicContact OD1-NH1 2.76Å; D148-R162 PolarHBondContact OD1-NH1 3.27Å; D148-R162 VanDerWaalsContact OD1-NH1 3.16Å; D148-R162 IonicContact OD1-NH2 3.92Å; D148-R162 PolarHBondContact OD1-NH2 2.75Å; D148-R162 IonicContact OD2-CZ 2.77Å; D148-R162 IonicContact OD2-NH1 3.56Å; D148-R162 PolarHBondContact OD2-NH1 3.2Å; D148-R162 IonicContact OD2-NH2 3.16Å; D148-R162 PolarHBondContact OD2-NH2 2.94Å; D148-S166 VanDerWaalsContact CG-CB 3.43Å; D148-S166 WeakPolarHBondContact O-CB 3.3Å; D148-S166 WeakPolarHBondContact OD2-CA 3.49Å; D148-S166 WeakPolarHBondContact OD2-CB 3.39Å; D148-R169 HydrophobicContact CB-CB 4.23Å; D148-R169 WeakPolarHBondContact OD2-CD 3.02Å; D148-R169 IonicContact OD2-CZ 2.67Å; D148-R169 IonicContact OD2-NE 2.86Å; D148-R169 IonicContact OD2-NH1 3.8Å; D148-R169 PolarHBondContact OD2-NH1 3.42Å; D148-T170 PolarHBondContact N-OG1 3.39Å; D148-T170 VanDerWaalsContact N-OG1 3.07Å; D148-Y173 HydrophobicContact CB-CE2 4.34Å
149N86.6Confident81.8Confident21 Ų2136.6 Ų36.611%0.11221%0.205CC..  trans-95.54.2-179.460.7-5.4000113.4T147 T151 D223 G224T147-N149 HydrophobicContact CG2-CB 3.87Å; T147-N149 PolarHBondContact O-N 3.33Å; N149-T151 PolarHBondContact O-N 2.72Å; N149-T151 VanDerWaalsContact O-N 3.1Å; N149-D223 PolarHBondContact ND2-OD2 2.6Å; N149-G224 WeakPolarHBondContact O-CA 3.42Å
150E83.1Confident81.6Confident9 Ų939.1 Ų39.14%0.04221%0.214CC..THydrogen-bonded Turntrans-85.533.9-179.7-63.5-179.7160.900112.3A108 A109 V110 P116 F152 L153 R162A108-E150 WeakPolarHBondContact CA-OE2 3.15Å; A109-E150 PolarHBondContact N-OE1 3.39Å; A109-E150 PolarHBondContact N-OE2 3.38Å; V110-E150 HydrophobicContact CG2-CB 4.44Å; V110-E150 VanDerWaalsContact CG2-CD 3.49Å; V110-E150 HydrophobicContact CG2-CG 3.94Å; V110-E150 VanDerWaalsContact CG2-OE2 3.25Å; V110-E150 WeakPolarHBondContact CG2-OE2 3.42Å; V110-E150 PolarHBondContact N-OE2 2.76Å; V110-E150 VanDerWaalsContact N-OE2 3.08Å; P116-E150 WeakPolarHBondContact CG-OE1 3.37Å; E150-F152 VanDerWaalsContact C-N 3.31Å; E150-L153 HydrophobicContact CB-CD1 3.92Å; E150-L153 HydrophobicContact CB-CG 4.32Å; E150-L153 HydrophobicContact CG-CD1 4.36Å; E150-R162 PolarHBondContact O-NH2 3.09Å
151T78.2Confident81.5Confident5 Ų546.7 Ų46.73%0.03125%0.247CC..THydrogen-bonded Turntrans-76.3-22.6175.4490000112N149 P158 I163 S166 G199N149-T151 PolarHBondContact O-N 2.72Å; N149-T151 VanDerWaalsContact O-N 3.1Å; T151-P158 WeakPolarHBondContact O-CB 3.45Å; T151-P158 WeakPolarHBondContact O-CD 3.42Å; T151-P158 WeakPolarHBondContact O-CG 3.49Å; T151-I163 HydrophobicContact CG2-CG2 4.35Å; T151-S166 WeakPolarHBondContact CG2-OG 3.41Å; T151-G199 WeakPolarHBondContact OG1-CA 3.16Å
152F68.7Low81.4Confident47 Ų4748 Ų4821%0.20625%0.25CC..SBendtrans-128.693.5179.9-149.8-87.8000107.4E150 Y200 L226 D228E150-F152 VanDerWaalsContact C-N 3.31Å; F152-Y200 HydrophobicContact CD2-CD2 4.06Å; F152-Y200 HydrophobicContact CD2-CE2 4.06Å; F152-Y200 HydrophobicContact CE2-CD2 4.44Å; F152-Y200 HydrophobicContact CE2-CE2 4.43Å; F152-Y200 HydrophobicContact CG-CE2 4.27Å; F152-L226 WeakPolarHBondContact O-CD1 3.39Å; F152-D228 WeakPolarHBondContact CE1-OD1 3.43Å
153L66.9Low81.2Confident27 Ų2748.6 Ų48.614%0.14125%0.253CS..BIsolated β-bridgetrans-110.3145.2173.9-76.6167.5000107.7A105 A108 E150 D155 V156A105-L153 HydrophobicContact CB-CD2 3.9Å; A105-L153 VanDerWaalsContact O-CD2 3.25Å; A105-L153 WeakPolarHBondContact O-CD2 3.27Å; A108-L153 HydrophobicContact CB-CD1 3.45Å; A108-L153 VanDerWaalsContact CB-CD1 3.45Å; E150-L153 HydrophobicContact CB-CD1 3.92Å; E150-L153 HydrophobicContact CB-CG 4.32Å; E150-L153 HydrophobicContact CG-CD1 4.36Å; L153-D155 PolarHBondContact O-N 3.16Å; L153-V156 PolarHBondContact O-N 2.8Å
154L55.6Low81.2Confident77 Ų7755 Ų5540%0.40328%0.277SS..THydrogen-bonded Turntrans-46.8-26.4-163.1-75.1177.5000116.3L104 L229 V231L104-L154 HydrophobicContact CD1-CD1 3.85Å; L104-L154 HydrophobicContact CD1-CD2 4.25Å; L104-L154 HydrophobicContact CD1-CG 4.25Å; L154-L229 HydrophobicContact CD2-CB 4.2Å; L154-L229 WeakPolarHBondContact CD2-O 3.14Å; L154-V231 HydrophobicContact CB-CG2 3.61Å; L154-V231 HydrophobicContact CD1-CG2 4.2Å; L154-V231 HydrophobicContact CD2-CG2 3.94Å; L154-V231 HydrophobicContact CG-CG2 4.1Å
155D52.2Low81.1Confident134 Ų13457 Ų5772%0.71729%0.291SS*.THydrogen-bonded Turntrans-115.73.9-175.7-55.2-42.4000114.5L153L153-D155 PolarHBondContact O-N 3.16Å
156V57.2Low81Confident94 Ų9457 Ų5757%0.5729%0.291SS*.BIsolated β-bridgetrans-133.6108.2-170.9-172.10000111.1L153 P158L153-V156 PolarHBondContact O-N 2.8Å; V156-P158 WeakPolarHBondContact O-CD 3.46Å; V156-P158 VanDerWaalsContact O-N 3.15Å
157N67.7Low81Confident145 Ų14557 Ų5778%0.77529%0.291SS*.  trans-64.5110.3161.2-86-37.3000108.9T159N157-T159 PolarHBondContact O-N 3.35Å
158P75Confident81Confident30 Ų3060.7 Ų60.720%0.19531%0.314CS..  trans-66.9132.5-176.631.9-41.2000110.8T151 V156 R162 I163T151-P158 WeakPolarHBondContact O-CB 3.45Å; T151-P158 WeakPolarHBondContact O-CD 3.42Å; T151-P158 WeakPolarHBondContact O-CG 3.49Å; V156-P158 WeakPolarHBondContact O-CD 3.46Å; V156-P158 VanDerWaalsContact O-N 3.15Å; P158-R162 HydrophobicContact CB-CB 4.39Å; P158-R162 HydrophobicContact CB-CG 4.22Å; P158-I163 HydrophobicContact CB-CD1 4.28Å; P158-I163 HydrophobicContact CB-CG1 3.79Å; P158-I163 HydrophobicContact CG-CD1 3.9Å; P158-I163 HydrophobicContact CG-CG1 3.92Å
159T85.2Confident81.1Confident91 Ų9163.4 Ų63.456%0.55832%0.324SS*.  trans-64.2150.916763.90000110.4N157 K161 R162 I163N157-T159 PolarHBondContact O-N 3.35Å; T159-K161 PolarHBondContact O-N 3.3Å; T159-R162 WeakPolarHBondContact O-CA 3.39Å; T159-R162 WeakPolarHBondContact O-CB 3.49Å; T159-R162 PolarHBondContact O-N 3.39Å; T159-R162 PolarHBondContact OG1-N 3Å; T159-I163 PolarHBondContact O-N 3.47Å; T159-I163 VanDerWaalsContact O-N 3.09Å
160L87.1Confident81.6Confident104 Ų10462.6 Ų62.655%0.54532%0.319SS..Hα-helixtrans-51.6-32.2171.8-76.6171.7000112.6I163 R164 L204L160-I163 PolarHBondContact O-N 3.3Å; L160-R164 WeakPolarHBondContact O-CB 3.25Å; L160-R164 PolarHBondContact O-N 2.84Å; L160-L204 HydrophobicContact CD2-CD1 4.38Å
161K91.1Very high82.2Confident162 Ų16262.5 Ų62.570%0.70432%0.32SS*.Hα-helixtrans-64.2-40.8174.1-175.5-179.2177.7-177.70112.4T159 S165T159-K161 PolarHBondContact O-N 3.3Å; K161-S165 WeakPolarHBondContact O-CB 3.15Å; K161-S165 PolarHBondContact O-N 3Å; K161-S165 PolarHBondContact O-OG 2.88Å
162R89.5Confident83Confident53 Ų5363.4 Ų63.420%0.233%0.33CS..Hα-helixtrans-67-42.2176.5173.661.5-173.599.1-4.5111.4D148 E150 P158 T159 S165 S166D148-R162 VanDerWaalsContact CG-NH1 3.31Å; D148-R162 IonicContact OD1-CZ 3.52Å; D148-R162 IonicContact OD1-NH1 2.76Å; D148-R162 PolarHBondContact OD1-NH1 3.27Å; D148-R162 VanDerWaalsContact OD1-NH1 3.16Å; D148-R162 IonicContact OD1-NH2 3.92Å; D148-R162 PolarHBondContact OD1-NH2 2.75Å; D148-R162 IonicContact OD2-CZ 2.77Å; D148-R162 IonicContact OD2-NH1 3.56Å; D148-R162 PolarHBondContact OD2-NH1 3.2Å; D148-R162 IonicContact OD2-NH2 3.16Å; D148-R162 PolarHBondContact OD2-NH2 2.94Å; E150-R162 PolarHBondContact O-NH2 3.09Å; P158-R162 HydrophobicContact CB-CB 4.39Å; P158-R162 HydrophobicContact CB-CG 4.22Å; T159-R162 WeakPolarHBondContact O-CA 3.39Å; T159-R162 WeakPolarHBondContact O-CB 3.49Å; T159-R162 PolarHBondContact O-N 3.39Å; T159-R162 PolarHBondContact OG1-N 3Å; R162-S165 WeakPolarHBondContact O-CB 3.41Å; R162-S165 PolarHBondContact O-N 3.17Å; R162-S166 PolarHBondContact O-N 3.04Å; R162-S166 VanDerWaalsContact O-N 3.17Å
163I90.1Very high84.3Confident16 Ų1661.2 Ų61.28%0.08232%0.321CS..Hα-helixtrans-65.2-45.8176.4-52.5177.5000110.3T151 P158 T159 L160 S165 S166 V167 G198 L204T151-I163 HydrophobicContact CG2-CG2 4.35Å; P158-I163 HydrophobicContact CB-CD1 4.28Å; P158-I163 HydrophobicContact CB-CG1 3.79Å; P158-I163 HydrophobicContact CG-CD1 3.9Å; P158-I163 HydrophobicContact CG-CG1 3.92Å; T159-I163 PolarHBondContact O-N 3.47Å; T159-I163 VanDerWaalsContact O-N 3.09Å; L160-I163 PolarHBondContact O-N 3.3Å; I163-S165 PolarHBondContact O-N 3.24Å; I163-S166 WeakPolarHBondContact O-CB 3.13Å; I163-S166 PolarHBondContact O-N 3.16Å; I163-S166 PolarHBondContact O-OG 3.22Å; I163-V167 PolarHBondContact O-N 3.44Å; I163-G198 WeakPolarHBondContact CG2-O 3.26Å; I163-L204 HydrophobicContact CB-CD1 3.6Å; I163-L204 HydrophobicContact CG2-CB 4.28Å; I163-L204 HydrophobicContact CG2-CD1 3.36Å; I163-L204 HydrophobicContact CG2-CG 4.46Å
164R94.4Very high85.6Confident136 Ų13660.4 Ų60.451%0.51332%0.316SS..Hα-helixtrans-59.7-37.4175.2-173.9178.6-69.2139.10.8112.2L160 S166 V167 V168 L204L160-R164 WeakPolarHBondContact O-CB 3.25Å; L160-R164 PolarHBondContact O-N 2.84Å; R164-S166 VanDerWaalsContact C-N 3.25Å; R164-S166 PolarHBondContact O-N 2.89Å; R164-V167 PolarHBondContact O-N 3.46Å; R164-V168 WeakPolarHBondContact O-CG2 3.36Å; R164-V168 PolarHBondContact O-N 2.98Å; R164-L204 HydrophobicContact CB-CD1 4.41Å; R164-L204 HydrophobicContact CB-CD2 3.98Å; R164-L204 HydrophobicContact CG-CD2 4.13Å
165S94.1Very high87.4Confident42 Ų4263.1 Ų63.129%0.29433%0.325SS..Hα-helixtrans-63.4-32.6176-59.10000112.3K161 R162 I163 R169K161-S165 WeakPolarHBondContact O-CB 3.15Å; K161-S165 PolarHBondContact O-N 3Å; K161-S165 PolarHBondContact O-OG 2.88Å; R162-S165 WeakPolarHBondContact O-CB 3.41Å; R162-S165 PolarHBondContact O-N 3.17Å; I163-S165 PolarHBondContact O-N 3.24Å; S165-R169 VanDerWaalsContact O-CB 3.29Å; S165-R169 WeakPolarHBondContact O-CB 2.92Å; S165-R169 WeakPolarHBondContact O-CD 3.47Å; S165-R169 WeakPolarHBondContact O-CG 3.06Å; S165-R169 PolarHBondContact O-N 3.46Å
166S93.8Very high89.3Confident0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-69.9-37.8178.180.40000112.5D148 T151 R162 I163 R164 T170D148-S166 VanDerWaalsContact CG-CB 3.43Å; D148-S166 WeakPolarHBondContact O-CB 3.3Å; D148-S166 WeakPolarHBondContact OD2-CA 3.49Å; D148-S166 WeakPolarHBondContact OD2-CB 3.39Å; T151-S166 WeakPolarHBondContact CG2-OG 3.41Å; R162-S166 PolarHBondContact O-N 3.04Å; R162-S166 VanDerWaalsContact O-N 3.17Å; I163-S166 WeakPolarHBondContact O-CB 3.13Å; I163-S166 PolarHBondContact O-N 3.16Å; I163-S166 PolarHBondContact O-OG 3.22Å; R164-S166 VanDerWaalsContact C-N 3.25Å; R164-S166 PolarHBondContact O-N 2.89Å; S166-T170 VanDerWaalsContact O-CB 3.27Å; S166-T170 WeakPolarHBondContact O-CB 3.39Å; S166-T170 PolarHBondContact O-N 3.02Å; S166-T170 PolarHBondContact O-OG1 3.09Å
167V95.8Very high91Very high0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-59.7-54.1172.8177.10000110.8I163 R164 R169 T170 S171 A197 L204 Q207I163-V167 PolarHBondContact O-N 3.44Å; R164-V167 PolarHBondContact O-N 3.46Å; V167-R169 VanDerWaalsContact C-N 3.32Å; V167-R169 PolarHBondContact O-N 2.82Å; V167-T170 PolarHBondContact O-N 3.39Å; V167-S171 PolarHBondContact O-N 2.87Å; V167-A197 HydrophobicContact CG2-CB 4.49Å; V167-L204 HydrophobicContact CG2-CB 4.07Å; V167-L204 WeakPolarHBondContact CG2-O 3.18Å; V167-Q207 HydrophobicContact CG1-CB 4.48Å; V167-Q207 HydrophobicContact CG1-CG 4.14Å
168V95.9Very high91.9Very high81 Ų8150.2 Ų50.249%0.49125%0.251SS..Hα-helixtrans-60.6-42-178.5173.90000111.6R164 G172R164-V168 WeakPolarHBondContact O-CG2 3.36Å; R164-V168 PolarHBondContact O-N 2.98Å; V168-G172 PolarHBondContact O-N 3.26Å
169R95.9Very high92.5Very high58 Ų5852 Ų5222%0.21926%0.264CS..Hα-helixtrans-64.7-48.2177.7-79.1169.3-177.4174.6-6.2111.8V110 D148 S165 V167 S171 G172 Y173V110-R169 PolarHBondContact O-NH1 3.35Å; D148-R169 HydrophobicContact CB-CB 4.23Å; D148-R169 WeakPolarHBondContact OD2-CD 3.02Å; D148-R169 IonicContact OD2-CZ 2.67Å; D148-R169 IonicContact OD2-NE 2.86Å; D148-R169 IonicContact OD2-NH1 3.8Å; D148-R169 PolarHBondContact OD2-NH1 3.42Å; S165-R169 VanDerWaalsContact O-CB 3.29Å; S165-R169 WeakPolarHBondContact O-CB 2.92Å; S165-R169 WeakPolarHBondContact O-CD 3.47Å; S165-R169 WeakPolarHBondContact O-CG 3.06Å; S165-R169 PolarHBondContact O-N 3.46Å; V167-R169 VanDerWaalsContact C-N 3.32Å; V167-R169 PolarHBondContact O-N 2.82Å; R169-S171 PolarHBondContact O-N 3.2Å; R169-G172 CarbonylContact O-C 3.58Å; R169-G172 WeakPolarHBondContact O-CA 3.39Å; R169-G172 PolarHBondContact O-N 3.32Å; R169-Y173 HydrophobicContact CB-CE1 4.43Å; R169-Y173 HydrophobicContact CB-CE2 3.91Å; R169-Y173 WeakPolarHBondContact O-CD1 3.33Å; R169-Y173 VanDerWaalsContact O-CD2 3.28Å; R169-Y173 WeakPolarHBondContact O-CD2 3.46Å; R169-Y173 PolarHBondContact O-N 3.01Å
170T96.2Very high92.5Very high3 Ų350.8 Ų50.82%0.01825%0.252CS..Hα-helixtrans-60.6-46.3-178.9-57.60000111.5D148 S166 V167 G172 Y173 L174 S195 A197D148-T170 PolarHBondContact N-OG1 3.39Å; D148-T170 VanDerWaalsContact N-OG1 3.07Å; S166-T170 VanDerWaalsContact O-CB 3.27Å; S166-T170 WeakPolarHBondContact O-CB 3.39Å; S166-T170 PolarHBondContact O-N 3.02Å; S166-T170 PolarHBondContact O-OG1 3.09Å; V167-T170 PolarHBondContact O-N 3.39Å; T170-G172 VanDerWaalsContact C-N 3.32Å; T170-G172 PolarHBondContact O-N 3.07Å; T170-Y173 PolarHBondContact O-N 2.82Å; T170-L174 PolarHBondContact O-N 3.24Å; T170-L174 VanDerWaalsContact O-N 3.14Å; T170-S195 VanDerWaalsContact CG2-O 3.31Å; T170-S195 WeakPolarHBondContact CG2-O 3.21Å; T170-A197 HydrophobicContact CG2-CB 4.17Å; T170-A197 WeakPolarHBondContact OG1-CB 3.27Å
171S94.9Very high92.3Very high7 Ų746.3 Ų46.35%0.04923%0.229CC..Hα-helixtrans-59.6-42.6172.2178.50000111.9V167 R169 Y173 L174 K175 E211V167-S171 PolarHBondContact O-N 2.87Å; R169-S171 PolarHBondContact O-N 3.2Å; S171-Y173 PolarHBondContact O-N 2.77Å; S171-L174 PolarHBondContact O-N 2.83Å; S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.86Å; S171-E211 WeakPolarHBondContact CB-OE2 3.39Å
172G95.6Very high91.8Very high25 Ų2545.2 Ų45.226%0.25823%0.229SC..Hα-helixtrans-61.9-38.1175.600000113.8V168 R169 T170 K176V168-G172 PolarHBondContact O-N 3.26Å; R169-G172 CarbonylContact O-C 3.58Å; R169-G172 WeakPolarHBondContact O-CA 3.39Å; R169-G172 PolarHBondContact O-N 3.32Å; T170-G172 VanDerWaalsContact C-N 3.32Å; T170-G172 PolarHBondContact O-N 3.07Å; G172-K176 WeakPolarHBondContact O-CG 3.3Å; G172-K176 PolarHBondContact O-N 2.6Å; G172-K176 VanDerWaalsContact O-N 3.12Å
173Y96.3Very high91.4Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-67.4-43.2177.4-56.4-37000112V110 D111 V115 I128 P146 D148 R169 T170 S171 K175 K176 L177V110-Y173 HydrophobicContact CG1-CE2 4.41Å; V110-Y173 WeakPolarHBondContact CG1-OH 3.49Å; D111-Y173 WeakPolarHBondContact O-CE1 3.4Å; D111-Y173 PolarHBondContact O-OH 3.08Å; V115-Y173 HydrophobicContact CG1-CD2 4.13Å; V115-Y173 HydrophobicContact CG1-CE2 3.73Å; I128-Y173 HydrophobicContact CD1-CD1 3.51Å; I128-Y173 HydrophobicContact CD1-CE1 4.17Å; I128-Y173 HydrophobicContact CD1-CG 3.88Å; I128-Y173 HydrophobicContact CG1-CD1 4.11Å; P146-Y173 HydrophobicContact CB-CD2 4.07Å; P146-Y173 HydrophobicContact CB-CG 4.15Å; P146-Y173 WeakPolarHBondContact O-CD2 3.45Å; D148-Y173 HydrophobicContact CB-CE2 4.34Å; R169-Y173 HydrophobicContact CB-CE1 4.43Å; R169-Y173 HydrophobicContact CB-CE2 3.91Å; R169-Y173 WeakPolarHBondContact O-CD1 3.33Å; R169-Y173 VanDerWaalsContact O-CD2 3.28Å; R169-Y173 WeakPolarHBondContact O-CD2 3.46Å; R169-Y173 PolarHBondContact O-N 3.01Å; T170-Y173 PolarHBondContact O-N 2.82Å; S171-Y173 PolarHBondContact O-N 2.77Å; Y173-K175 VanDerWaalsContact C-N 3.29Å; Y173-K175 PolarHBondContact O-N 2.86Å; Y173-K176 PolarHBondContact O-N 3.09Å; Y173-L177 WeakPolarHBondContact O-CB 3.33Å; Y173-L177 PolarHBondContact O-N 2.69Å
174L94.3Very high90.5Very high10 Ų1049.4 Ų49.45%0.05226%0.259CS..Hα-helixtrans-58.4-43.5177.7-179.760.9000111.1T170 S171 L177 A178 I192 T212T170-L174 PolarHBondContact O-N 3.24Å; T170-L174 VanDerWaalsContact O-N 3.14Å; S171-L174 PolarHBondContact O-N 2.83Å; L174-L177 PolarHBondContact O-N 2.88Å; L174-A178 WeakPolarHBondContact O-CB 3.26Å; L174-A178 PolarHBondContact O-N 2.73Å; L174-I192 HydrophobicContact CD1-CG2 4.15Å; L174-T212 HydrophobicContact CD2-CG2 4.07Å
175K93Very high89.1Confident135 Ų13551.4 Ų51.459%0.58727%0.274SS*.Hα-helixtrans-62.2-44.5176.5-68.1171.9-174.9172.50112.3S171 Y173 A178 S179S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.86Å; Y173-K175 VanDerWaalsContact C-N 3.29Å; Y173-K175 PolarHBondContact O-N 2.86Å; K175-A178 PolarHBondContact O-N 2.79Å; K175-S179 PolarHBondContact O-N 2.89Å; K175-S179 PolarHBondContact O-OG 3.2Å
176K92.9Very high87.5Confident88 Ų8855.9 Ų55.938%0.38329%0.29SS..Hα-helixtrans-64.6-41.6176.4-71.6174.3-178.8-175.40112K112 I128 G172 Y173 A178 S179 E180K112-K176 PolarHBondContact O-NZ 2.74Å; I128-K176 HydrophobicContact CB-CB 4.34Å; I128-K176 HydrophobicContact CG1-CB 4.33Å; I128-K176 HydrophobicContact CG1-CD 4.14Å; I128-K176 HydrophobicContact CG2-CB 3.92Å; G172-K176 WeakPolarHBondContact O-CG 3.3Å; G172-K176 PolarHBondContact O-N 2.6Å; G172-K176 VanDerWaalsContact O-N 3.12Å; Y173-K176 PolarHBondContact O-N 3.09Å; K176-A178 VanDerWaalsContact C-N 3.34Å; K176-S179 WeakPolarHBondContact CA-OG 3.28Å; K176-S179 PolarHBondContact O-N 3.19Å; K176-S179 PolarHBondContact O-OG 3.42Å; K176-E180 WeakPolarHBondContact O-CG 3.07Å; K176-E180 PolarHBondContact O-N 3.14Å; K176-E180 VanDerWaalsContact O-N 3.1Å
177L91.6Very high85.8Confident0 Ų056 Ų560%029%0.29CS..Hα-helixtrans-63.7-42.4176.517968.2000110.9I128 Y132 Y143 Y173 L174 S179 E180 C181 I192I128-L177 HydrophobicContact CG2-CB 4.1Å; Y132-L177 HydrophobicContact CD2-CD1 4.22Å; Y143-L177 HydrophobicContact CE2-CD1 4.34Å; Y143-L177 HydrophobicContact CE2-CD2 3.85Å; Y173-L177 WeakPolarHBondContact O-CB 3.33Å; Y173-L177 PolarHBondContact O-N 2.69Å; L174-L177 PolarHBondContact O-N 2.88Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 2.82Å; L177-E180 PolarHBondContact O-N 3.16Å; L177-C181 PolarHBondContact O-N 2.78Å; L177-C181 PolarHBondContact O-SG 3.03Å; L177-I192 HydrophobicContact CD2-CD1 4.17Å; L177-I192 HydrophobicContact CD2-CG2 4.46Å
178A87.6Confident83.8Confident14 Ų1459 Ų5912%0.11632%0.316CS..Hα-helixtrans-60.6-42.2176.300000111.6L174 K175 K176 E180 C181 I182 L216L174-A178 WeakPolarHBondContact O-CB 3.26Å; L174-A178 PolarHBondContact O-N 2.73Å; K175-A178 PolarHBondContact O-N 2.79Å; K176-A178 VanDerWaalsContact C-N 3.34Å; A178-E180 VanDerWaalsContact C-N 3.34Å; A178-E180 PolarHBondContact O-N 2.78Å; A178-C181 PolarHBondContact O-N 3.39Å; A178-C181 VanDerWaalsContact O-N 3.14Å; A178-I182 WeakPolarHBondContact O-CG1 3.48Å; A178-I182 PolarHBondContact O-N 3.36Å; A178-L216 HydrophobicContact CB-CD1 3.89Å
179S88Confident82Confident67 Ų6763.5 Ų63.547%0.46933%0.328SS..Hα-helixtrans-63.1-38175.355.20000113.2K175 K176 L177 C181 I182 S183K175-S179 PolarHBondContact O-N 2.89Å; K175-S179 PolarHBondContact O-OG 3.2Å; K176-S179 WeakPolarHBondContact CA-OG 3.28Å; K176-S179 PolarHBondContact O-N 3.19Å; K176-S179 PolarHBondContact O-OG 3.42Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 2.82Å; S179-C181 VanDerWaalsContact C-N 3.3Å; S179-C181 PolarHBondContact O-N 3.13Å; S179-I182 PolarHBondContact O-N 3.38Å; S179-S183 PolarHBondContact O-N 3.1Å; S179-S183 PolarHBondContact O-OG 3.04Å
180E85.4Confident80.6Confident66 Ų6664.4 Ų64.431%0.30833%0.332SS..Hα-helixtrans-68.1-28174.3-66.8-73172.600112.6Y132 K176 L177 A178 S183 H184Y132-E180 HydrophobicContact CD2-CB 4.36Å; Y132-E180 HydrophobicContact CG-CB 4.24Å; K176-E180 WeakPolarHBondContact O-CG 3.07Å; K176-E180 PolarHBondContact O-N 3.14Å; K176-E180 VanDerWaalsContact O-N 3.1Å; L177-E180 PolarHBondContact O-N 3.16Å; A178-E180 VanDerWaalsContact C-N 3.34Å; A178-E180 PolarHBondContact O-N 2.78Å; E180-S183 WeakPolarHBondContact CA-OG 3.27Å; E180-S183 PolarHBondContact O-OG 3.47Å; E180-H184 PolarHBondContact O-CD2 3.26Å
181C82.7Confident80Confident10 Ų1064.3 Ų64.37%0.06833%0.332CS..Hα-helixtrans-75.4-37.4175.7-64.60000111.8L177 A178 S179 S183 H184L177-C181 PolarHBondContact O-N 2.78Å; L177-C181 PolarHBondContact O-SG 3.03Å; A178-C181 PolarHBondContact O-N 3.39Å; A178-C181 VanDerWaalsContact O-N 3.14Å; S179-C181 VanDerWaalsContact C-N 3.3Å; S179-C181 PolarHBondContact O-N 3.13Å; C181-S183 VanDerWaalsContact C-N 3.34Å; C181-H184 CarbonylContact O-C 3.57Å; C181-H184 PolarHBondContact O-N 2.62Å; C181-H184 VanDerWaalsContact O-O 3.07Å
182I80.5Confident79.9Confident138 Ų13864.6 Ų64.671%0.70833%0.332SS*.Hα-helixtrans-66.4-37.7178.1-67.8165.7000111.1A178 S179 H184A178-I182 WeakPolarHBondContact O-CG1 3.48Å; A178-I182 PolarHBondContact O-N 3.36Å; S179-I182 PolarHBondContact O-N 3.38Å; I182-H184 PolarHBondContact O-N 2.96Å
183S79.7Confident79.9Confident72 Ų7263.5 Ų63.550%0.50332%0.321SS..THydrogen-bonded Turntrans-69.3-11.4176.656.70000113.7S179 E180 C181S179-S183 PolarHBondContact O-N 3.1Å; S179-S183 PolarHBondContact O-OG 3.04Å; E180-S183 WeakPolarHBondContact CA-OG 3.27Å; E180-S183 PolarHBondContact O-OG 3.47Å; C181-S183 VanDerWaalsContact C-N 3.34Å
184H72.1Confident79.9Confident86 Ų8663.5 Ų63.540%0.39832%0.321SS..  trans-140.389-171.7-66.8-49.7000112.1Y132 E180 C181 I182 E186 L187Y132-H184 HydrophobicContact CE1-CB 4.3Å; Y132-H184 AromaticContact CE1-CD2 3.74Å; Y132-H184 WeakPolarHBondContact OH-CB 3.3Å; E180-H184 PolarHBondContact O-CD2 3.26Å; C181-H184 CarbonylContact O-C 3.57Å; C181-H184 PolarHBondContact O-N 2.62Å; C181-H184 VanDerWaalsContact O-O 3.07Å; I182-H184 PolarHBondContact O-N 2.96Å; H184-E186 PolarHBondContact O-N 3.16Å; H184-L187 PolarHBondContact O-N 2.92Å
185E64.9Low80.1Confident177 Ų17763.2 Ų63.283%0.82732%0.319SS*.THydrogen-bonded Turntrans-48.7-32-173.2-78.2-173.5149.100115.9L187 A188E185-L187 PolarHBondContact O-N 3.15Å; E185-A188 PolarHBondContact O-N 3.36Å
186E60.8Low80.3Confident136 Ų13656.8 Ų56.864%0.63629%0.292SS*.THydrogen-bonded Turntrans-60.1-19.6-176.6-75.8-168.3144.100114.3K136 H184K136-E186 WeakPolarHBondContact CE-OE2 3.46Å; K136-E186 IonicContact NZ-OE2 3.75Å; K136-E186 PolarHBondContact NZ-OE2 2.92Å; H184-E186 PolarHBondContact O-N 3.16Å
187L57.9Low80.3Confident2 Ų252.8 Ų52.81%0.0128%0.275CS..THydrogen-bonded Turntrans-120.6-9.8-178.3-89.5151.5000115Y132 K136 Y143 H184 E185 K189 R190Y132-L187 HydrophobicContact CD2-CD1 4.39Å; Y132-L187 HydrophobicContact CE1-CD1 4.35Å; Y132-L187 HydrophobicContact CE2-CB 3.81Å; Y132-L187 HydrophobicContact CE2-CD1 3.52Å; Y132-L187 HydrophobicContact CE2-CG 4.26Å; Y132-L187 VanDerWaalsContact CZ-CD1 3.48Å; Y132-L187 VanDerWaalsContact OH-CD1 3.29Å; Y132-L187 WeakPolarHBondContact OH-CD1 3.45Å; K136-L187 HydrophobicContact CB-CD1 3.36Å; K136-L187 HydrophobicContact CD-CD1 3.92Å; K136-L187 HydrophobicContact CG-CD1 3.49Å; K136-L187 VanDerWaalsContact CG-CD1 3.49Å; Y143-L187 HydrophobicContact CE1-CD2 4.37Å; H184-L187 PolarHBondContact O-N 2.92Å; E185-L187 PolarHBondContact O-N 3.15Å; L187-K189 PolarHBondContact O-N 3.45Å; L187-R190 HydrophobicContact CD2-CB 3.79Å; L187-R190 HydrophobicContact CD2-CG 3.57Å; L187-R190 VanDerWaalsContact CD2-NE 3.33Å; L187-R190 HydrophobicContact CG-CG 4.36Å; L187-R190 PolarHBondContact O-N 2.84Å
188A53.4Low80.4Confident64 Ų6452.9 Ų52.953%0.52928%0.276SS..THydrogen-bonded Turntrans-57.3-14.9176.100000113.3E185E185-A188 PolarHBondContact O-N 3.36Å
189K58.2Low80.4Confident175 Ų17552.2 Ų52.276%0.76127%0.271SS*.THydrogen-bonded Turntrans-99.64.8176.1-64.7-178.5175.3173.60114.9L187L187-K189 PolarHBondContact O-N 3.45Å
190R67.2Low80.4Confident77 Ų7751.4 Ų51.429%0.29126%0.257SS..SBendtrans-96.9145.5-176-63.9-149.9-156.3-162.10.8112.5S139 P140 Y143 L187 I192S139-R190 PolarHBondContact OG-NH1 3.31Å; S139-R190 PolarHBondContact OG-NH2 3.16Å; S139-R190 VanDerWaalsContact OG-NH2 3.09Å; P140-R190 PolarHBondContact O-NH1 2.91Å; Y143-R190 HydrophobicContact CE1-CB 4.27Å; L187-R190 HydrophobicContact CD2-CB 3.79Å; L187-R190 HydrophobicContact CD2-CG 3.57Å; L187-R190 VanDerWaalsContact CD2-NE 3.33Å; L187-R190 HydrophobicContact CG-CG 4.36Å; L187-R190 PolarHBondContact O-N 2.84Å; R190-I192 PolarHBondContact O-N 3.38Å
191S83.4Confident80.7Confident2 Ų250.5 Ų50.51%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-73.5122.1-174.6-67.10000110.6V2 V142 Y143 S218V2-S191 PolarHBondContact N-OG 3.34Å; V142-S191 VanDerWaalsContact CA-O 3.24Å; V142-S191 WeakPolarHBondContact CA-O 3.19Å; V142-S191 WeakPolarHBondContact CG2-O 3.44Å; Y143-S191 PolarHBondContact N-O 3.46Å; S191-S218 WeakPolarHBondContact CA-OG 3.3Å; S191-S218 VanDerWaalsContact CB-CB 3.49Å; S191-S218 WeakPolarHBondContact CB-OG 3.46Å; S191-S218 PolarHBondContact OG-OG 2.99Å
192I93.1Very high81.2Confident12 Ų1251.6 Ų51.66%0.06226%0.26CS..EExtended strand (participates in β ladder)trans-101.2138174.8-62.2173.6000108.8Y143 L174 L177 R190 C217 S218Y143-I192 HydrophobicContact CE1-CG1 4.1Å; Y143-I192 HydrophobicContact CE2-CG1 4.23Å; Y143-I192 CarbonylContact O-C 3.52Å; Y143-I192 WeakPolarHBondContact O-CA 3.39Å; L174-I192 HydrophobicContact CD1-CG2 4.15Å; L177-I192 HydrophobicContact CD2-CD1 4.17Å; L177-I192 HydrophobicContact CD2-CG2 4.46Å; R190-I192 PolarHBondContact O-N 3.38Å; I192-C217 CarbonylContact O-C 3.5Å; I192-C217 WeakPolarHBondContact O-CA 3.21Å; I192-S218 PolarHBondContact O-N 2.84Å
193L96Very high82Confident2 Ų251.4 Ų51.41%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-94.8118.8163.7-52.5174.5000109.5V95 F97 V142 Y143 S145 S195 G219 V221 F268V95-L193 HydrophobicContact CG1-CD1 4.03Å; F97-L193 HydrophobicContact CE1-CD1 4.47Å; V142-L193 HydrophobicContact CG1-CD1 4.27Å; V142-L193 HydrophobicContact CG1-CG 4.4Å; V142-L193 HydrophobicContact CG2-CD1 4.28Å; V142-L193 HydrophobicContact CG2-CD2 3.56Å; V142-L193 HydrophobicContact CG2-CG 3.54Å; Y143-L193 PolarHBondContact O-N 3.07Å; S145-L193 WeakPolarHBondContact CB-O 3.32Å; S145-L193 PolarHBondContact N-O 2.73Å; S145-L193 PolarHBondContact OG-O 2.84Å; L193-S195 PolarHBondContact O-N 2.94Å; L193-G219 WeakPolarHBondContact CA-O 3.26Å; L193-V221 HydrophobicContact CB-CG2 3.63Å; L193-V221 HydrophobicContact CD1-CG2 3.59Å; L193-V221 HydrophobicContact CG-CG2 4.2Å; L193-F268 HydrophobicContact CD1-CD1 4.44Å; L193-F268 HydrophobicContact CD1-CD2 3.96Å; L193-F268 HydrophobicContact CD1-CE1 4.43Å; L193-F268 HydrophobicContact CD1-CE2 3.97Å; L193-F268 HydrophobicContact CD1-CG 4.21Å; L193-F268 HydrophobicContact CD1-CZ 4.21Å; L193-F268 HydrophobicContact CD2-CD2 4.02Å; L193-F268 HydrophobicContact CD2-CE2 3.66Å; L193-F268 HydrophobicContact CD2-CZ 4.37Å; L193-F268 HydrophobicContact CG-CE2 4.5Å
194A96.1Very high82.8Confident1 Ų148.3 Ų48.31%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-68.4129.1173.200000110.2S145 T212 C217 G219 V220 V221S145-A194 WeakPolarHBondContact OG-CA 3.25Å; A194-T212 HydrophobicContact CB-CG2 3.64Å; A194-C217 HydrophobicContact CB-CB 4.3Å; A194-G219 PolarHBondContact N-O 3.39Å; A194-V220 CarbonylContact O-C 3.59Å; A194-V220 VanDerWaalsContact O-CA 3.3Å; A194-V220 WeakPolarHBondContact O-CA 3.46Å; A194-V220 WeakPolarHBondContact O-CG1 3.48Å; A194-V221 PolarHBondContact O-N 3.38Å
195S97Very high83.9Confident3 Ų344.2 Ų44.22%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-84.1126.6168.9-65.10000109.2Q144 S145 T147 T170 L193Q144-S195 VanDerWaalsContact CG-OG 3.22Å; Q144-S195 WeakPolarHBondContact CG-OG 3.41Å; Q144-S195 PolarHBondContact NE2-OG 3.3Å; S145-S195 PolarHBondContact O-OG 3.17Å; S145-S195 PolarHBondContact OG-N 3.35Å; T147-S195 VanDerWaalsContact CB-CB 3.49Å; T170-S195 VanDerWaalsContact CG2-O 3.31Å; T170-S195 WeakPolarHBondContact CG2-O 3.21Å; L193-S195 PolarHBondContact O-N 2.94Å
196I97.4Very high85.5Confident1 Ų137.6 Ų37.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-93.5124.9168-53.6-56.2000106.4R205 V209 T212 F214 V220 V221 I222 V257I196-R205 PolarHBondContact O-NH1 2.75Å; I196-V209 HydrophobicContact CD1-CG2 4.12Å; I196-V209 HydrophobicContact CG1-CG2 4.3Å; I196-V209 HydrophobicContact CG2-CG2 3.9Å; I196-T212 HydrophobicContact CD1-CG2 4.5Å; I196-F214 HydrophobicContact CD1-CE1 4.44Å; I196-F214 HydrophobicContact CD1-CZ 4.28Å; I196-V220 HydrophobicContact CB-CG1 4.49Å; I196-V220 HydrophobicContact CD1-CG1 4Å; I196-V220 HydrophobicContact CG1-CG1 3.31Å; I196-V221 PolarHBondContact N-O 2.7Å; I196-I222 HydrophobicContact CB-CD1 3.83Å; I196-I222 HydrophobicContact CG1-CD1 4.21Å; I196-I222 HydrophobicContact CG2-CD1 4.39Å; I196-V257 HydrophobicContact CG2-CG1 4.42Å
197A94.5Very high87.2Confident4 Ų434 Ų343%0.03317%0.168CC..  trans-102.3-174.5176.400000110.5V167 T170 R205 S208V167-A197 HydrophobicContact CG2-CB 4.49Å; T170-A197 HydrophobicContact CG2-CB 4.17Å; T170-A197 WeakPolarHBondContact OG1-CB 3.27Å; A197-R205 VanDerWaalsContact O-CD 3.27Å; A197-R205 WeakPolarHBondContact O-CD 3.09Å; A197-S208 PolarHBondContact N-OG 2.85Å; A197-S208 WeakPolarHBondContact O-CB 3.3Å
198G92Very high89.1Confident1 Ų133.9 Ų33.91%0.0117%0.168CC..  trans118.26.8179.300000115I163 Y200 D201I163-G198 WeakPolarHBondContact CG2-O 3.26Å; G198-Y200 PolarHBondContact O-N 2.66Å; G198-D201 PolarHBondContact O-N 3.44Å; G198-D201 VanDerWaalsContact O-N 3.15Å
199G88.6Confident91.3Very high1 Ų131.3 Ų31.31%0.0115%0.145CC..THydrogen-bonded Turntrans56.3-131.7177.100000111.9T151 R205T151-G199 WeakPolarHBondContact OG1-CA 3.16Å; G199-R205 PolarHBondContact O-NE 3.13Å; G199-R205 PolarHBondContact O-NH2 3.13Å; G199-R205 VanDerWaalsContact O-NH2 3.08Å
200Y88.7Confident93.1Very high49 Ų4927.1 Ų27.119%0.19214%0.143CC..THydrogen-bonded Turntrans-88.6-7.5178.5-77.8-95.8000114F152 G198 V225 L226 G245 F249F152-Y200 HydrophobicContact CD2-CD2 4.06Å; F152-Y200 HydrophobicContact CD2-CE2 4.06Å; F152-Y200 HydrophobicContact CE2-CD2 4.44Å; F152-Y200 HydrophobicContact CE2-CE2 4.43Å; F152-Y200 HydrophobicContact CG-CE2 4.27Å; G198-Y200 PolarHBondContact O-N 2.66Å; Y200-V225 HydrophobicContact CE1-CG1 4.21Å; Y200-V225 HydrophobicContact CE2-CG1 4.48Å; Y200-L226 PolarHBondContact OH-O 2.86Å; Y200-G245 WeakPolarHBondContact CD1-O 3.24Å; Y200-G245 VanDerWaalsContact CE1-C 3.48Å; Y200-G245 WeakPolarHBondContact CE1-O 3.5Å; Y200-F249 HydrophobicContact CD1-CB 3.62Å; Y200-F249 HydrophobicContact CD1-CD2 4.11Å; Y200-F249 HydrophobicContact CD1-CG 4.07Å; Y200-F249 HydrophobicContact CE1-CB 3.66Å; Y200-F249 HydrophobicContact CE1-CG 4.13Å
201D90.6Very high94.5Very high47 Ų4726.5 Ų26.525%0.25114%0.144SC..  trans-83.3120.7-173.6-175.3-71.6000111.8G198 Q203 L204 R205G198-D201 PolarHBondContact O-N 3.44Å; G198-D201 VanDerWaalsContact O-N 3.15Å; D201-Q203 PolarHBondContact O-N 3.08Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.41Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.18Å; D201-Q203 PolarHBondContact OD1-N 3.03Å; D201-L204 HydrophobicContact CB-CB 4.14Å; D201-L204 HydrophobicContact CB-CD1 4.11Å; D201-L204 HydrophobicContact CB-CG 4.29Å; D201-L204 PolarHBondContact OD1-N 3.04Å; D201-R205 WeakPolarHBondContact O-CB 3.4Å; D201-R205 WeakPolarHBondContact O-CG 3.42Å; D201-R205 PolarHBondContact O-N 3.47Å
202L93.8Very high95.1Very high34 Ų3427.1 Ų27.118%0.17815%0.147CC..Hα-helixtrans-61.9-43.6-179173.762.2000112.9R205 L206 T253 K256 V257L202-R205 PolarHBondContact O-N 3.16Å; L202-L206 HydrophobicContact CD1-CD1 3.92Å; L202-L206 HydrophobicContact CD1-CD2 4.49Å; L202-L206 HydrophobicContact CD1-CG 3.94Å; L202-L206 HydrophobicContact CG-CD1 4.05Å; L202-L206 HydrophobicContact CG-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 2.85Å; L202-T253 HydrophobicContact CB-CG2 4.07Å; L202-T253 HydrophobicContact CD1-CG2 4.03Å; L202-K256 HydrophobicContact CD1-CB 3.78Å; L202-K256 HydrophobicContact CD1-CD 4.2Å; L202-K256 HydrophobicContact CD2-CD 3.61Å; L202-V257 HydrophobicContact CD1-CG2 4.22Å
203Q96.7Very high95.2Very high133 Ų13330.5 Ų30.562%0.62117%0.165SC*.Hα-helixtrans-68.2-40.4-175.3-64.6-58.8-35.500111D201 L206 Q207D201-Q203 PolarHBondContact O-N 3.08Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.41Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.18Å; D201-Q203 PolarHBondContact OD1-N 3.03Å; Q203-L206 PolarHBondContact O-N 2.83Å; Q203-Q207 WeakPolarHBondContact O-CB 3.46Å; Q203-Q207 PolarHBondContact O-N 2.84Å
204L95.9Very high95Very high7 Ų732 Ų324%0.03717%0.172CC..Hα-helixtrans-70.5-34.1176.5-66.2177.7000112.2L160 I163 R164 V167 D201 Q207 S208L160-L204 HydrophobicContact CD2-CD1 4.38Å; I163-L204 HydrophobicContact CB-CD1 3.6Å; I163-L204 HydrophobicContact CG2-CB 4.28Å; I163-L204 HydrophobicContact CG2-CD1 3.36Å; I163-L204 HydrophobicContact CG2-CG 4.46Å; R164-L204 HydrophobicContact CB-CD1 4.41Å; R164-L204 HydrophobicContact CB-CD2 3.98Å; R164-L204 HydrophobicContact CG-CD2 4.13Å; V167-L204 HydrophobicContact CG2-CB 4.07Å; V167-L204 WeakPolarHBondContact CG2-O 3.18Å; D201-L204 HydrophobicContact CB-CB 4.14Å; D201-L204 HydrophobicContact CB-CD1 4.11Å; D201-L204 HydrophobicContact CB-CG 4.29Å; D201-L204 PolarHBondContact OD1-N 3.04Å; L204-Q207 PolarHBondContact O-N 2.74Å; L204-S208 PolarHBondContact O-N 3.33Å
205R96.1Very high94.7Very high1 Ų136.9 Ų36.90%0.00421%0.206CC..Hα-helixtrans-63.7-45.4170.3-73.4-89.3178.7-167.8-1.3111.7I196 A197 G199 D201 L202 Q207 S208 V209 D223 T253 V257I196-R205 PolarHBondContact O-NH1 2.75Å; A197-R205 VanDerWaalsContact O-CD 3.27Å; A197-R205 WeakPolarHBondContact O-CD 3.09Å; G199-R205 PolarHBondContact O-NE 3.13Å; G199-R205 PolarHBondContact O-NH2 3.13Å; G199-R205 VanDerWaalsContact O-NH2 3.08Å; D201-R205 WeakPolarHBondContact O-CB 3.4Å; D201-R205 WeakPolarHBondContact O-CG 3.42Å; D201-R205 PolarHBondContact O-N 3.47Å; L202-R205 PolarHBondContact O-N 3.16Å; R205-Q207 VanDerWaalsContact C-N 3.34Å; R205-S208 WeakPolarHBondContact O-CB 3.5Å; R205-S208 PolarHBondContact O-N 2.81Å; R205-S208 VanDerWaalsContact O-N 3.16Å; R205-V209 WeakPolarHBondContact O-CG2 3.48Å; R205-V209 PolarHBondContact O-N 3.33Å; R205-D223 PolarHBondContact NH2-O 3.38Å; R205-T253 HydrophobicContact CG-CG2 4.47Å; R205-V257 HydrophobicContact CB-CG2 3.53Å; R205-V257 HydrophobicContact CG-CG2 4.26Å
206L98Very high94.2Very high37 Ų3740.4 Ų40.419%0.19422%0.224CC..Hα-helixtrans-64.8-37.8176.2-69.2176000111.9L202 Q203 S208 V209 A210 H260L202-L206 HydrophobicContact CD1-CD1 3.92Å; L202-L206 HydrophobicContact CD1-CD2 4.49Å; L202-L206 HydrophobicContact CD1-CG 3.94Å; L202-L206 HydrophobicContact CG-CD1 4.05Å; L202-L206 HydrophobicContact CG-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 2.85Å; Q203-L206 PolarHBondContact O-N 2.83Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-V209 PolarHBondContact O-N 3.12Å; L206-A210 WeakPolarHBondContact O-CB 3.23Å; L206-A210 PolarHBondContact O-N 3.09Å; L206-H260 HydrophobicContact CD2-CB 4.37Å; L206-H260 WeakPolarHBondContact CD2-ND1 3.28Å
207Q97.8Very high94Very high60 Ų6041 Ų4128%0.2823%0.228SC..Hα-helixtrans-59-45.9170.4-177.3-175.9-12.800110.9V167 Q203 L204 R205 V209 A210 E211V167-Q207 HydrophobicContact CG1-CB 4.48Å; V167-Q207 HydrophobicContact CG1-CG 4.14Å; Q203-Q207 WeakPolarHBondContact O-CB 3.46Å; Q203-Q207 PolarHBondContact O-N 2.84Å; L204-Q207 PolarHBondContact O-N 2.74Å; R205-Q207 VanDerWaalsContact C-N 3.34Å; Q207-V209 VanDerWaalsContact C-N 3.3Å; Q207-V209 PolarHBondContact O-N 2.82Å; Q207-A210 PolarHBondContact O-N 3.3Å; Q207-E211 HydrophobicContact CG-CG 4.42Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.29Å; Q207-E211 PolarHBondContact NE2-OE1 2.94Å; Q207-E211 WeakPolarHBondContact O-CB 3.27Å; Q207-E211 WeakPolarHBondContact O-CG 3.3Å; Q207-E211 PolarHBondContact O-N 2.88Å
208S97.6Very high93.9Very high1 Ų142 Ų421%0.00724%0.235CC..Hα-helixtrans-61.1-38.2176.7-1720000112.4A197 L204 R205 L206 T212A197-S208 PolarHBondContact N-OG 2.85Å; A197-S208 WeakPolarHBondContact O-CB 3.3Å; L204-S208 PolarHBondContact O-N 3.33Å; R205-S208 WeakPolarHBondContact O-CB 3.5Å; R205-S208 PolarHBondContact O-N 2.81Å; R205-S208 VanDerWaalsContact O-N 3.16Å; L206-S208 VanDerWaalsContact C-N 3.34Å; S208-T212 PolarHBondContact O-N 3.15Å; S208-T212 PolarHBondContact O-OG1 3.25Å
209V98Very high94Very high9 Ų942 Ų426%0.05523%0.234CC..Hα-helixtrans-63.8-47.8173.6172.70000110.8I196 R205 L206 Q207 E211 T212 F214 V257 H260I196-V209 HydrophobicContact CD1-CG2 4.12Å; I196-V209 HydrophobicContact CG1-CG2 4.3Å; I196-V209 HydrophobicContact CG2-CG2 3.9Å; R205-V209 WeakPolarHBondContact O-CG2 3.48Å; R205-V209 PolarHBondContact O-N 3.33Å; L206-V209 PolarHBondContact O-N 3.12Å; Q207-V209 VanDerWaalsContact C-N 3.3Å; Q207-V209 PolarHBondContact O-N 2.82Å; V209-E211 VanDerWaalsContact C-N 3.29Å; V209-E211 PolarHBondContact O-N 3.04Å; V209-T212 PolarHBondContact O-N 3.27Å; V209-T212 VanDerWaalsContact O-N 3.16Å; V209-F214 HydrophobicContact CG1-CE2 3.89Å; V209-F214 HydrophobicContact CG1-CZ 3.95Å; V209-F214 WeakPolarHBondContact O-CE2 3.38Å; V209-V257 HydrophobicContact CG2-CG1 3.95Å; V209-H260 HydrophobicContact CG1-CB 3.75Å; V209-H260 WeakPolarHBondContact CG1-O 3.13Å
210A97.6Very high94.5Very high88 Ų8842 Ų4273%0.72723%0.234SC*.Hα-helixtrans-64.6-31.4-179.200000113.5L206 Q207 T212L206-A210 WeakPolarHBondContact O-CB 3.23Å; L206-A210 PolarHBondContact O-N 3.09Å; Q207-A210 PolarHBondContact O-N 3.3Å; A210-T212 VanDerWaalsContact C-N 3.33Å
211E96.2Very high94.9Very high64 Ų6439.6 Ų39.630%0.29923%0.225SC..THydrogen-bonded Turntrans-82.3-9.1177.3-71.3-177.5-162.900114S171 Q207 V209S171-E211 WeakPolarHBondContact CB-OE2 3.39Å; Q207-E211 HydrophobicContact CG-CG 4.42Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.29Å; Q207-E211 PolarHBondContact NE2-OE1 2.94Å; Q207-E211 WeakPolarHBondContact O-CB 3.27Å; Q207-E211 WeakPolarHBondContact O-CG 3.3Å; Q207-E211 PolarHBondContact O-N 2.88Å; V209-E211 VanDerWaalsContact C-N 3.29Å; V209-E211 PolarHBondContact O-N 3.04Å
212T96.3Very high95.1Very high15 Ų1537.4 Ų37.49%0.09221%0.213CC..  trans-86.7122.8-177.3-63.70000110.8L174 A194 I196 S208 V209 A210 F214L174-T212 HydrophobicContact CD2-CG2 4.07Å; A194-T212 HydrophobicContact CB-CG2 3.64Å; I196-T212 HydrophobicContact CD1-CG2 4.5Å; S208-T212 PolarHBondContact O-N 3.15Å; S208-T212 PolarHBondContact O-OG1 3.25Å; V209-T212 PolarHBondContact O-N 3.27Å; V209-T212 VanDerWaalsContact O-N 3.16Å; A210-T212 VanDerWaalsContact C-N 3.33Å; T212-F214 HydrophobicContact CG2-CD1 3.81Å; T212-F214 HydrophobicContact CG2-CD2 4.5Å; T212-F214 HydrophobicContact CG2-CE1 3.61Å; T212-F214 HydrophobicContact CG2-CE2 4.34Å; T212-F214 HydrophobicContact CG2-CG 4.25Å; T212-F214 HydrophobicContact CG2-CZ 3.9Å; T212-F214 PolarHBondContact O-N 2.57Å; T212-F214 VanDerWaalsContact O-N 3.14Å
213D93.5Very high94.8Very high82 Ų8236.4 Ų36.444%0.43921%0.208SC..  trans-80.192.5169.5-174.3-4.7000110.3S215 L216 C217D213-S215 PolarHBondContact O-N 3.17Å; D213-S215 VanDerWaalsContact OD1-CB 3.3Å; D213-S215 WeakPolarHBondContact OD1-CB 3.41Å; D213-S215 PolarHBondContact OD1-N 3.01Å; D213-S215 PolarHBondContact OD1-OG 2.58Å; D213-S215 PolarHBondContact OD2-OG 2.82Å; D213-L216 HydrophobicContact CB-CD1 4.12Å; D213-L216 HydrophobicContact CB-CG 4.33Å; D213-L216 PolarHBondContact O-N 2.9Å; D213-C217 PolarHBondContact O-SG 2.91Å; D213-C217 VanDerWaalsContact O-SG 3.35Å
214F93.6Very high94.1Very high35 Ų3530.2 Ų30.215%0.15418%0.18CC..G310 helixtrans-66.5-14.7-179.9-68.9-66.3000114I196 V209 T212 L216 C217 V220 I261 P262 L265I196-F214 HydrophobicContact CD1-CE1 4.44Å; I196-F214 HydrophobicContact CD1-CZ 4.28Å; V209-F214 HydrophobicContact CG1-CE2 3.89Å; V209-F214 HydrophobicContact CG1-CZ 3.95Å; V209-F214 WeakPolarHBondContact O-CE2 3.38Å; T212-F214 HydrophobicContact CG2-CD1 3.81Å; T212-F214 HydrophobicContact CG2-CD2 4.5Å; T212-F214 HydrophobicContact CG2-CE1 3.61Å; T212-F214 HydrophobicContact CG2-CE2 4.34Å; T212-F214 HydrophobicContact CG2-CG 4.25Å; T212-F214 HydrophobicContact CG2-CZ 3.9Å; T212-F214 PolarHBondContact O-N 2.57Å; T212-F214 VanDerWaalsContact O-N 3.14Å; F214-L216 PolarHBondContact O-N 2.84Å; F214-C217 PolarHBondContact O-N 2.79Å; F214-C217 VanDerWaalsContact O-N 3.12Å; F214-V220 HydrophobicContact CD1-CG2 4.16Å; F214-V220 HydrophobicContact CE1-CG2 3.61Å; F214-I261 HydrophobicContact CZ-CG1 4.5Å; F214-P262 HydrophobicContact CB-CG 3.95Å; F214-P262 HydrophobicContact CD1-CG 4.45Å; F214-P262 HydrophobicContact CD2-CG 3.89Å; F214-P262 HydrophobicContact CG-CG 3.84Å; F214-L265 HydrophobicContact CB-CD1 4.12Å; F214-L265 HydrophobicContact CD1-CD1 3.64Å; F214-L265 HydrophobicContact CE1-CD1 4.44Å; F214-L265 HydrophobicContact CG-CD1 4.15Å
215S89.5Confident93.4Very high102 Ų10229.9 Ų29.971%0.71318%0.178SC*.G310 helixtrans-65.9-21.4176.374.90000112.7D213 C217D213-S215 PolarHBondContact O-N 3.17Å; D213-S215 VanDerWaalsContact OD1-CB 3.3Å; D213-S215 WeakPolarHBondContact OD1-CB 3.41Å; D213-S215 PolarHBondContact OD1-N 3.01Å; D213-S215 PolarHBondContact OD1-OG 2.58Å; D213-S215 PolarHBondContact OD2-OG 2.82Å; S215-C217 VanDerWaalsContact C-N 3.35Å
216L86.9Confident92.2Very high78 Ų7831.2 Ų31.241%0.40819%0.185SC..G310 helixtrans-88.3-1.7177.8-55.2177.9000113.2A178 D213 F214A178-L216 HydrophobicContact CB-CD1 3.89Å; D213-L216 HydrophobicContact CB-CD1 4.12Å; D213-L216 HydrophobicContact CB-CG 4.33Å; D213-L216 PolarHBondContact O-N 2.9Å; F214-L216 PolarHBondContact O-N 2.84Å
217C91.2Very high90.6Very high13 Ų1330.4 Ų30.49%0.08818%0.18CC..  trans-120.9149.9-162.7-54.70000111.9I192 A194 D213 F214 S215I192-C217 CarbonylContact O-C 3.5Å; I192-C217 WeakPolarHBondContact O-CA 3.21Å; A194-C217 HydrophobicContact CB-CB 4.3Å; D213-C217 PolarHBondContact O-SG 2.91Å; D213-C217 VanDerWaalsContact O-SG 3.35Å; F214-C217 PolarHBondContact O-N 2.79Å; F214-C217 VanDerWaalsContact O-N 3.12Å; S215-C217 VanDerWaalsContact C-N 3.35Å
218S92.6Very high88.5Confident25 Ų2529.2 Ų29.218%0.17518%0.175CC..SBendtrans-114.56.9174.5-51.60000112.9S191 I192 P266S191-S218 WeakPolarHBondContact CA-OG 3.3Å; S191-S218 VanDerWaalsContact CB-CB 3.49Å; S191-S218 WeakPolarHBondContact CB-OG 3.46Å; S191-S218 PolarHBondContact OG-OG 2.99Å; I192-S218 PolarHBondContact O-N 2.84Å; S218-P266 WeakPolarHBondContact O-CD 3.49Å; S218-P266 WeakPolarHBondContact O-CG 2.91Å
219G95.9Very high86.2Confident0 Ų030.9 Ų30.90%018%0.184CC..EExtended strand (participates in β ladder)trans173.217917800000111.1L193 A194 P266L193-G219 WeakPolarHBondContact CA-O 3.26Å; A194-G219 PolarHBondContact N-O 3.39Å; G219-P266 WeakPolarHBondContact CA-O 3.4Å
220V97.4Very high83.5Confident1 Ų133.2 Ų33.21%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-133142.1-177.4-175.60000110.3A194 I196 F214 I261 L265 P266 F268A194-V220 CarbonylContact O-C 3.59Å; A194-V220 VanDerWaalsContact O-CA 3.3Å; A194-V220 WeakPolarHBondContact O-CA 3.46Å; A194-V220 WeakPolarHBondContact O-CG1 3.48Å; I196-V220 HydrophobicContact CB-CG1 4.49Å; I196-V220 HydrophobicContact CD1-CG1 4Å; I196-V220 HydrophobicContact CG1-CG1 3.31Å; F214-V220 HydrophobicContact CD1-CG2 4.16Å; F214-V220 HydrophobicContact CE1-CG2 3.61Å; V220-I261 HydrophobicContact CB-CD1 4.05Å; V220-I261 HydrophobicContact CG1-CD1 3.77Å; V220-I261 HydrophobicContact CG2-CD1 4.15Å; V220-I261 HydrophobicContact CG2-CG2 3.76Å; V220-L265 HydrophobicContact CG2-CD1 4.26Å; V220-P266 PolarHBondContact N-O 3.13Å; V220-F268 PolarHBondContact O-N 3.08Å
221V97.7Very high80.5Confident0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-115.9127.7175.2176.20000109.6F97 Q144 L193 A194 I196 D223 F268F97-V221 HydrophobicContact CD1-CG1 4.47Å; F97-V221 HydrophobicContact CD1-CG2 4.41Å; F97-V221 HydrophobicContact CE1-CG1 4.34Å; F97-V221 HydrophobicContact CE1-CG2 3.9Å; Q144-V221 HydrophobicContact CG-CB 4.31Å; Q144-V221 HydrophobicContact CG-CG1 4.42Å; Q144-V221 HydrophobicContact CG-CG2 4.18Å; L193-V221 HydrophobicContact CB-CG2 3.63Å; L193-V221 HydrophobicContact CD1-CG2 3.59Å; L193-V221 HydrophobicContact CG-CG2 4.2Å; A194-V221 PolarHBondContact O-N 3.38Å; I196-V221 PolarHBondContact N-O 2.7Å; V221-D223 HydrophobicContact CG1-CB 3.96Å; V221-F268 WeakPolarHBondContact CA-O 3.38Å; V221-F268 HydrophobicContact CB-CB 4.5Å; V221-F268 HydrophobicContact CG2-CB 3.86Å; V221-F268 HydrophobicContact CG2-CG 4.41Å
222I95.9Very high77.6Confident0 Ų033.2 Ų33.20%020%0.198CC..EExtended strand (participates in β ladder)trans-95.9117.9162.5-55.2-56.5000107.6I196 V225 F249 L254 V257 F258 F268 I269 T270I196-I222 HydrophobicContact CB-CD1 3.83Å; I196-I222 HydrophobicContact CG1-CD1 4.21Å; I196-I222 HydrophobicContact CG2-CD1 4.39Å; I222-V225 HydrophobicContact CG2-CG2 3.87Å; I222-F249 HydrophobicContact CG2-CE1 4.16Å; I222-F249 HydrophobicContact CG2-CZ 3.91Å; I222-L254 HydrophobicContact CG1-CD1 3.97Å; I222-L254 HydrophobicContact CG2-CD1 4.23Å; I222-V257 HydrophobicContact CD1-CG1 4.3Å; I222-F258 HydrophobicContact CD1-CE1 4.08Å; I222-F258 HydrophobicContact CG1-CE1 3.59Å; I222-F258 HydrophobicContact CG1-CZ 3.96Å; I222-F268 PolarHBondContact N-O 3.06Å; I222-I269 HydrophobicContact CB-CB 4.43Å; I222-I269 HydrophobicContact CB-CD1 4.16Å; I222-I269 HydrophobicContact CB-CG1 3.96Å; I222-I269 HydrophobicContact CG2-CD1 3.95Å; I222-I269 HydrophobicContact CG2-CG1 4.1Å; I222-I269 WeakPolarHBondContact O-CA 3.43Å; I222-T270 PolarHBondContact O-N 3.2Å; I222-T270 VanDerWaalsContact O-N 3.14Å
223D87.4Confident74.6Confident13 Ų1338.2 Ų38.27%0.0723%0.233CC..  trans-139.6171.5-178.8-172.911.3000109Q144 N149 R205 V221 V225 T270Q144-D223 PolarHBondContact NE2-OD2 2.76Å; N149-D223 PolarHBondContact ND2-OD2 2.6Å; R205-D223 PolarHBondContact NH2-O 3.38Å; V221-D223 HydrophobicContact CG1-CB 3.96Å; D223-V225 VanDerWaalsContact C-N 3.25Å; D223-V225 PolarHBondContact O-N 2.85Å; D223-T270 PolarHBondContact OD1-OG1 3.38Å; D223-T270 VanDerWaalsContact OD1-OG1 3.13Å
224G80.7Confident71.9Confident3 Ų340 Ų403%0.03125%0.247CC..  trans71.920.6-175.300000113.2N149N149-G224 WeakPolarHBondContact O-CA 3.42Å
225V81.2Confident69Low0 Ų046 Ų460%028%0.276CS..  trans-106.490.4175.5-172.70000106.9Y200 I222 D223 L246 F249 I272Y200-V225 HydrophobicContact CE1-CG1 4.21Å; Y200-V225 HydrophobicContact CE2-CG1 4.48Å; I222-V225 HydrophobicContact CG2-CG2 3.87Å; D223-V225 VanDerWaalsContact C-N 3.25Å; D223-V225 PolarHBondContact O-N 2.85Å; V225-L246 HydrophobicContact CG1-CD1 3.61Å; V225-F249 HydrophobicContact CB-CE1 4.28Å; V225-F249 HydrophobicContact CG1-CD1 3.67Å; V225-F249 HydrophobicContact CG1-CE1 3.8Å; V225-F249 HydrophobicContact CG1-CG 4.28Å; V225-F249 HydrophobicContact CG1-CZ 4.47Å; V225-F249 HydrophobicContact CG2-CD1 4.27Å; V225-F249 HydrophobicContact CG2-CE1 3.59Å; V225-F249 HydrophobicContact CG2-CE2 4.26Å; V225-F249 HydrophobicContact CG2-CZ 3.58Å; V225-I272 HydrophobicContact CG1-CD1 4.38Å
226L71.6Confident66.7Low30 Ų3046.6 Ų46.616%0.15728%0.275CS..  trans-94.5135.3-177.8-75158.6000109.6L104 F152 Y200 Q271L104-L226 HydrophobicContact CD2-CD1 4.39Å; L104-L226 HydrophobicContact CD2-CD2 3.28Å; L104-L226 HydrophobicContact CD2-CG 4.46Å; F152-L226 WeakPolarHBondContact O-CD1 3.39Å; Y200-L226 PolarHBondContact OH-O 2.86Å; L226-Q271 HydrophobicContact CD2-CB 4.49Å; L226-Q271 HydrophobicContact CD2-CG 4.17Å
227R64.7Low64.2Low20 Ų2052.7 Ų52.78%0.07530%0.298CS..  trans-75.3127.4161.5-168.4166.5-175173.2-7.5107.1L229 N243 L246 D277 R410R227-L229 PolarHBondContact O-N 3.33Å; R227-N243 PolarHBondContact NE-OD1 2.9Å; R227-N243 VanDerWaalsContact NE-OD1 3.11Å; R227-N243 PolarHBondContact NH2-OD1 3.14Å; R227-L246 HydrophobicContact CB-CD2 3.82Å; R227-L246 HydrophobicContact CG-CD2 3.8Å; R227-D277 IonicContact CZ-OD2 2.69Å; R227-D277 IonicContact NE-OD2 3.17Å; R227-D277 IonicContact NH1-OD1 3.37Å; R227-D277 IonicContact NH1-OD2 3.66Å; R227-D277 PolarHBondContact NH1-OD2 3.28Å; R227-R410 VanDerWaalsContact NH1-NH1 3.14Å
228D52.7Low61.5Low35 Ų3556.9 Ų56.919%0.18732%0.319CS..  trans-48.8106-179.2-62.2-48.8000109.9F152 L413F152-D228 WeakPolarHBondContact CE1-OD1 3.43Å; D228-L413 WeakPolarHBondContact O-CD1 3.09Å
229L48.7Very low58.8Low36 Ų3659.1 Ų59.119%0.18832%0.324CS..  trans-84.8129.5171.3-80.1159.7000106.1L104 L154 R227 V231 L413L104-L229 HydrophobicContact CD1-CB 4.22Å; L104-L229 HydrophobicContact CD1-CD1 3.29Å; L104-L229 HydrophobicContact CD1-CG 4.35Å; L104-L229 HydrophobicContact CD2-CD1 4.01Å; L104-L229 HydrophobicContact CG-CD1 3.88Å; L154-L229 HydrophobicContact CD2-CB 4.2Å; L154-L229 WeakPolarHBondContact CD2-O 3.14Å; R227-L229 PolarHBondContact O-N 3.33Å; L229-V231 PolarHBondContact O-N 3.06Å; L229-L413 HydrophobicContact CD2-CB 4.37Å; L229-L413 HydrophobicContact CD2-CD1 4.06Å; L229-L413 HydrophobicContact CD2-CD2 4.07Å; L229-L413 HydrophobicContact CD2-CG 4.41Å
230P41.3Very low56Low58 Ų5866.8 Ų66.838%0.37736%0.364SS..  trans-62.7114.8179.823.3-30.5000109S232 L413P230-S232 PolarHBondContact O-N 3.19Å; P230-L413 HydrophobicContact CG-CB 4.2Å
231V35.3Very low53.3Low65 Ų6571.6 Ų71.639%0.39439%0.39SS..  trans-71.5115.7166.7-152.30000106.2L154 L229L154-V231 HydrophobicContact CB-CG2 3.61Å; L154-V231 HydrophobicContact CD1-CG2 4.2Å; L154-V231 HydrophobicContact CD2-CG2 3.94Å; L154-V231 HydrophobicContact CG-CG2 4.1Å; L229-V231 PolarHBondContact O-N 3.06Å
232S35.5Very low50.9Low87 Ų8776.5 Ų76.561%0.60841%0.413SS*.THydrogen-bonded Turntrans37.694.7166.658.50000117.2P230 V234P230-S232 PolarHBondContact O-N 3.19Å; S232-V234 VanDerWaalsContact C-N 3.3Å; S232-V234 PolarHBondContact O-N 3.26Å
233S33.9Very low49Very low119 Ų11978.1 Ų78.183%0.83242%0.421SS*.THydrogen-bonded Turntrans45.36.3141.857.30000123.2
234V35.8Very low47.9Very low121 Ų12183.6 Ų83.673%0.73344%0.444SS*.SBendtrans-116.4-23.5-174.8-172.70000115.4S232S232-V234 VanDerWaalsContact C-N 3.3Å; S232-V234 PolarHBondContact O-N 3.26Å
235E33.2Very low48Very low161 Ų16184.9 Ų84.975%0.75246%0.458SS*.  trans-134.870.1-177-66.3-168.9168.600114K237E235-K237 VanDerWaalsContact C-N 3.26Å; E235-K237 PolarHBondContact O-N 3.08Å
236V40Very low48.3Very low113 Ų11385 Ų8569%0.68546%0.459SS*.G310 helixtrans-78-8.9171.4178.90000112.3N238V236-N238 PolarHBondContact O-N 2.79Å
237K34.6Very low49.1Very low206 Ų20687.1 Ų87.190%0.89647%0.469SS*.G310 helixtrans-78.4-14.1-169.5-80.1-176.1175.8177.80115.9E235E235-K237 VanDerWaalsContact C-N 3.26Å; E235-K237 PolarHBondContact O-N 3.08Å
238N34.6Very low50.4Low101 Ų10191.8 Ų91.854%0.5449%0.492SS..G310 helixtrans-109.58.5-177.4-70.3-18000115V236 I240 D241V236-N238 PolarHBondContact O-N 2.79Å; N238-I240 PolarHBondContact O-N 3Å; N238-D241 PolarHBondContact O-N 2.83Å
239Y37.3Very low52.3Low72 Ų7290.2 Ų90.228%0.28248%0.484SS..Hα-helixtrans-61.1-13.2-169.3-165.7-102.3000116N243 L413Y239-N243 PolarHBondContact O-ND2 2.77Å; Y239-L413 HydrophobicContact CE2-CD1 4.11Å; Y239-L413 WeakPolarHBondContact OH-CD1 3.01Å; Y239-L413 VanDerWaalsContact OH-CG 3.32Å; Y239-L413 WeakPolarHBondContact OH-CG 3.43Å
240I37.2Very low54.5Low161 Ų16188.5 Ų88.583%0.82648%0.475SS*.Hα-helixtrans-77.3-30.6177.5-58.5177000111.7N238N238-I240 PolarHBondContact O-N 3Å
241D39.6Very low57Low103 Ų10388.1 Ų88.155%0.55147%0.471SS*.Hα-helixtrans-85.3-27.8-176-104.6-21.9000113.6N238 K244N238-D241 PolarHBondContact O-N 2.83Å; D241-K244 WeakPolarHBondContact O-CB 3.06Å; D241-K244 WeakPolarHBondContact O-CG 3.22Å; D241-K244 PolarHBondContact O-N 3.13Å; D241-K244 VanDerWaalsContact OD1-CE 3.26Å; D241-K244 WeakPolarHBondContact OD1-CE 3.28Å; D241-K244 IonicContact OD1-NZ 2.72Å; D241-K244 PolarHBondContact OD1-NZ 3.49Å
242E46.6Very low59.8Low103 Ų10387.6 Ų87.648%0.48147%0.468SS..Hα-helixtrans-77-31.7-172.6-67.2176.4168.100113.5K244 G245E242-K244 PolarHBondContact O-N 3.15Å; E242-G245 PolarHBondContact O-N 2.89Å
243N56.3Low62.6Low34 Ų3483.9 Ų83.918%0.18244%0.442CS..Hα-helixtrans-64.3-9.5175.2-76.9-74.7000113.7R227 Y239 G245 L246 L247R227-N243 PolarHBondContact NE-OD1 2.9Å; R227-N243 VanDerWaalsContact NE-OD1 3.11Å; R227-N243 PolarHBondContact NH2-OD1 3.14Å; Y239-N243 PolarHBondContact O-ND2 2.77Å; N243-G245 PolarHBondContact O-N 2.72Å; N243-L246 PolarHBondContact O-N 3.07Å; N243-L247 VanDerWaalsContact O-CB 3.31Å; N243-L247 WeakPolarHBondContact O-CB 3.45Å; N243-L247 PolarHBondContact O-N 2.75Å
244K64.9Low65.6Low127 Ų12778.2 Ų78.255%0.55240%0.402SS*.Hα-helixtrans-58.9-37.2174.9-74.2177.6174.7167.30111.7D241 E242 L247 E248D241-K244 WeakPolarHBondContact O-CB 3.06Å; D241-K244 WeakPolarHBondContact O-CG 3.22Å; D241-K244 PolarHBondContact O-N 3.13Å; D241-K244 VanDerWaalsContact OD1-CE 3.26Å; D241-K244 WeakPolarHBondContact OD1-CE 3.28Å; D241-K244 IonicContact OD1-NZ 2.72Å; D241-K244 PolarHBondContact OD1-NZ 3.49Å; E242-K244 PolarHBondContact O-N 3.15Å; K244-L247 PolarHBondContact O-N 2.93Å; K244-E248 WeakPolarHBondContact O-CB 3.35Å; K244-E248 PolarHBondContact O-N 2.96Å
245G82.2Confident68.4Low30 Ų3073 Ų7331%0.30937%0.371SS..Hα-helixtrans-63.5-49.518000000112.7Y200 E242 N243 F249Y200-G245 WeakPolarHBondContact CD1-O 3.24Å; Y200-G245 VanDerWaalsContact CE1-C 3.48Å; Y200-G245 WeakPolarHBondContact CE1-O 3.5Å; E242-G245 PolarHBondContact O-N 2.89Å; N243-G245 PolarHBondContact O-N 2.72Å; G245-F249 VanDerWaalsContact O-CB 3.28Å; G245-F249 WeakPolarHBondContact O-CB 3.5Å; G245-F249 PolarHBondContact O-N 3.31Å
246L87.7Confident71.5Confident4 Ų470.2 Ų70.22%0.02136%0.356CS..Hα-helixtrans-64.8-44.8175.9-177.760.1000112.5V225 R227 N243 F249 L250 I272V225-L246 HydrophobicContact CG1-CD1 3.61Å; R227-L246 HydrophobicContact CB-CD2 3.82Å; R227-L246 HydrophobicContact CG-CD2 3.8Å; N243-L246 PolarHBondContact O-N 3.07Å; L246-F249 PolarHBondContact O-N 2.84Å; L246-L250 HydrophobicContact CD1-CD1 4.02Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 3.93Å; L246-L250 HydrophobicContact CG-CD1 4Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.33Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.23Å; L246-L250 PolarHBondContact O-N 3.37Å; L246-I272 HydrophobicContact CD1-CD1 3.79Å; L246-I272 HydrophobicContact CD2-CD1 4.47Å
247L89.6Confident74.2Confident73 Ų7364.8 Ų64.838%0.38232%0.324SS..Hα-helixtrans-59.3-52178.1-179.661000110.9N243 K244 F249 L250 T251 Y276 L280N243-L247 VanDerWaalsContact O-CB 3.31Å; N243-L247 WeakPolarHBondContact O-CB 3.45Å; N243-L247 PolarHBondContact O-N 2.75Å; K244-L247 PolarHBondContact O-N 2.93Å; L247-F249 VanDerWaalsContact C-N 3.3Å; L247-F249 PolarHBondContact O-N 3.49Å; L247-L250 PolarHBondContact O-N 3.08Å; L247-T251 HydrophobicContact CD1-CG2 3.89Å; L247-T251 WeakPolarHBondContact O-CG2 3.41Å; L247-T251 PolarHBondContact O-N 3.46Å; L247-T251 PolarHBondContact O-OG1 2.83Å; L247-Y276 HydrophobicContact CD1-CE1 4.48Å; L247-L280 HydrophobicContact CD1-CD1 3.46Å; L247-L280 VanDerWaalsContact CD1-CD1 3.46Å
248E91.4Very high77.1Confident119 Ų11955 Ų5556%0.55628%0.281SS*.Hα-helixtrans-58.7-42.4176.8-177178.517800111.5K244 L250 T251 T252 T253K244-E248 WeakPolarHBondContact O-CB 3.35Å; K244-E248 PolarHBondContact O-N 2.96Å; E248-L250 PolarHBondContact O-N 3.36Å; E248-T251 PolarHBondContact O-N 3.05Å; E248-T252 WeakPolarHBondContact O-CA 3.44Å; E248-T252 VanDerWaalsContact O-CB 3.23Å; E248-T252 WeakPolarHBondContact O-CB 3.35Å; E248-T252 PolarHBondContact O-N 3.32Å; E248-T253 PolarHBondContact O-N 3.36Å
249F92.6Very high80Confident2 Ų252.3 Ų52.31%0.00927%0.273CS..Iπ-helixtrans-58.7-50.8175.6-179.7-93.8000111.5Y200 I222 V225 G245 L246 L247 T253 L254Y200-F249 HydrophobicContact CD1-CB 3.62Å; Y200-F249 HydrophobicContact CD1-CD2 4.11Å; Y200-F249 HydrophobicContact CD1-CG 4.07Å; Y200-F249 HydrophobicContact CE1-CB 3.66Å; Y200-F249 HydrophobicContact CE1-CG 4.13Å; I222-F249 HydrophobicContact CG2-CE1 4.16Å; I222-F249 HydrophobicContact CG2-CZ 3.91Å; V225-F249 HydrophobicContact CB-CE1 4.28Å; V225-F249 HydrophobicContact CG1-CD1 3.67Å; V225-F249 HydrophobicContact CG1-CE1 3.8Å; V225-F249 HydrophobicContact CG1-CG 4.28Å; V225-F249 HydrophobicContact CG1-CZ 4.47Å; V225-F249 HydrophobicContact CG2-CD1 4.27Å; V225-F249 HydrophobicContact CG2-CE1 3.59Å; V225-F249 HydrophobicContact CG2-CE2 4.26Å; V225-F249 HydrophobicContact CG2-CZ 3.58Å; G245-F249 VanDerWaalsContact O-CB 3.28Å; G245-F249 WeakPolarHBondContact O-CB 3.5Å; G245-F249 PolarHBondContact O-N 3.31Å; L246-F249 PolarHBondContact O-N 2.84Å; L247-F249 VanDerWaalsContact C-N 3.3Å; L247-F249 PolarHBondContact O-N 3.49Å; F249-T253 HydrophobicContact CD2-CG2 3.71Å; F249-T253 HydrophobicContact CE2-CG2 3.7Å; F249-T253 PolarHBondContact O-N 2.88Å; F249-T253 VanDerWaalsContact O-N 3.16Å; F249-L254 HydrophobicContact CE1-CB 4.23Å; F249-L254 HydrophobicContact CE1-CD1 4.02Å; F249-L254 HydrophobicContact CZ-CD1 4.2Å; F249-L254 VanDerWaalsContact O-CB 3.28Å; F249-L254 WeakPolarHBondContact O-CB 3.47Å; F249-L254 PolarHBondContact O-N 2.87Å
250L94.1Very high82.9Confident0 Ų054.4 Ų54.40%029%0.285CS..Iπ-helixtrans-66.9-37.8-178-67.6178.8000112.4L246 L247 E248 L254 I269 I272 D277 L280 A281 S284L246-L250 HydrophobicContact CD1-CD1 4.02Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 3.93Å; L246-L250 HydrophobicContact CG-CD1 4Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.33Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.23Å; L246-L250 PolarHBondContact O-N 3.37Å; L247-L250 PolarHBondContact O-N 3.08Å; E248-L250 PolarHBondContact O-N 3.36Å; L250-L254 HydrophobicContact CD2-CD2 3.86Å; L250-I269 HydrophobicContact CD2-CD1 4.41Å; L250-I272 HydrophobicContact CD2-CD1 4.45Å; L250-D277 HydrophobicContact CD1-CB 3.79Å; L250-L280 HydrophobicContact CB-CB 4.31Å; L250-L280 HydrophobicContact CD1-CB 4.39Å; L250-A281 HydrophobicContact CD2-CB 3.98Å; L250-S284 WeakPolarHBondContact O-CB 3.5Å; L250-S284 PolarHBondContact O-OG 3.2Å
251T93.5Very high85.7Confident50 Ų5047 Ų4731%0.30725%0.247SC..Iπ-helixtrans-91.7-18.6-174.660.20000114.5L247 E248 L280L247-T251 HydrophobicContact CD1-CG2 3.89Å; L247-T251 WeakPolarHBondContact O-CG2 3.41Å; L247-T251 PolarHBondContact O-N 3.46Å; L247-T251 PolarHBondContact O-OG1 2.83Å; E248-T251 PolarHBondContact O-N 3.05Å; T251-L280 HydrophobicContact CG2-CD1 4.2Å; T251-L280 HydrophobicContact CG2-CD2 4.24Å
252T94.5Very high88.3Confident54 Ų5443.7 Ų43.733%0.33123%0.231SC..Iπ-helixtrans-129.2-49.9-171.6-54.90000112.9E248 K256E248-T252 WeakPolarHBondContact O-CA 3.44Å; E248-T252 VanDerWaalsContact O-CB 3.23Å; E248-T252 WeakPolarHBondContact O-CB 3.35Å; E248-T252 PolarHBondContact O-N 3.32Å; T252-K256 WeakPolarHBondContact O-CD 3.47Å; T252-K256 WeakPolarHBondContact O-CG 3.45Å
253T95Very high90.5Very high9 Ų943.2 Ų43.26%0.05524%0.237CC..Iπ-helixtrans-74.6-51.8-177.8-62.20000111.6L202 R205 E248 F249 K256 V257L202-T253 HydrophobicContact CB-CG2 4.07Å; L202-T253 HydrophobicContact CD1-CG2 4.03Å; R205-T253 HydrophobicContact CG-CG2 4.47Å; E248-T253 PolarHBondContact O-N 3.36Å; F249-T253 HydrophobicContact CD2-CG2 3.71Å; F249-T253 HydrophobicContact CE2-CG2 3.7Å; F249-T253 PolarHBondContact O-N 2.88Å; F249-T253 VanDerWaalsContact O-N 3.16Å; T253-K256 PolarHBondContact O-N 2.94Å; T253-V257 HydrophobicContact CG2-CG2 4.16Å; T253-V257 WeakPolarHBondContact O-CG2 3.41Å; T253-V257 PolarHBondContact O-N 3.01Å
254L96.1Very high92.3Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-55.9-49.3-176.4-169.664.3000114.1I222 F249 L250 K256 V257 F258 I269 A281I222-L254 HydrophobicContact CG1-CD1 3.97Å; I222-L254 HydrophobicContact CG2-CD1 4.23Å; F249-L254 HydrophobicContact CE1-CB 4.23Å; F249-L254 HydrophobicContact CE1-CD1 4.02Å; F249-L254 HydrophobicContact CZ-CD1 4.2Å; F249-L254 VanDerWaalsContact O-CB 3.28Å; F249-L254 WeakPolarHBondContact O-CB 3.47Å; F249-L254 PolarHBondContact O-N 2.87Å; L250-L254 HydrophobicContact CD2-CD2 3.86Å; L254-K256 VanDerWaalsContact C-N 3.32Å; L254-K256 PolarHBondContact O-N 3.42Å; L254-V257 PolarHBondContact O-N 2.93Å; L254-F258 HydrophobicContact CD1-CD1 4.3Å; L254-F258 HydrophobicContact CD1-CD2 4.33Å; L254-F258 HydrophobicContact CD1-CE1 3.81Å; L254-F258 HydrophobicContact CD1-CE2 3.76Å; L254-F258 HydrophobicContact CD1-CZ 3.5Å; L254-F258 HydrophobicContact CD2-CE2 3.99Å; L254-F258 HydrophobicContact CD2-CZ 4.36Å; L254-F258 HydrophobicContact CG-CD2 4.06Å; L254-F258 HydrophobicContact CG-CE2 3.67Å; L254-F258 HydrophobicContact CG-CZ 3.98Å; L254-F258 WeakPolarHBondContact O-CG 3.48Å; L254-F258 PolarHBondContact O-N 2.7Å; L254-I269 HydrophobicContact CD1-CD1 4.46Å; L254-I269 HydrophobicContact CD2-CD1 4.11Å; L254-A281 HydrophobicContact CD2-CB 4.21Å
255P95.8Very high93.7Very high12 Ų1241.7 Ų41.78%0.07823%0.231CC..Hα-helixtrans-63-38.217922.9-32.3000112.2W13 V257 F258 A259W13-P255 HydrophobicContact CD2-CB 4.33Å; W13-P255 HydrophobicContact CG-CB 4.17Å; P255-V257 PolarHBondContact O-N 2.69Å; P255-F258 PolarHBondContact O-N 2.79Å; P255-A259 PolarHBondContact O-N 3.44Å
256K96.9Very high94.4Very high101 Ų10140.4 Ų40.444%0.43922%0.217SC..Hα-helixtrans-65.6-37.5176-68176.8-176174.90112.3L202 T252 T253 L254 A259 H260L202-K256 HydrophobicContact CD1-CB 3.78Å; L202-K256 HydrophobicContact CD1-CD 4.2Å; L202-K256 HydrophobicContact CD2-CD 3.61Å; T252-K256 WeakPolarHBondContact O-CD 3.47Å; T252-K256 WeakPolarHBondContact O-CG 3.45Å; T253-K256 PolarHBondContact O-N 2.94Å; L254-K256 VanDerWaalsContact C-N 3.32Å; L254-K256 PolarHBondContact O-N 3.42Å; K256-A259 WeakPolarHBondContact O-CB 3.48Å; K256-H260 PolarHBondContact O-ND1 3.09Å
257V97.4Very high94.9Very high0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-64.4-48.2173.3171.70000110.1I196 L202 R205 V209 I222 T253 L254 P255 A259 H260I196-V257 HydrophobicContact CG2-CG1 4.42Å; L202-V257 HydrophobicContact CD1-CG2 4.22Å; R205-V257 HydrophobicContact CB-CG2 3.53Å; R205-V257 HydrophobicContact CG-CG2 4.26Å; V209-V257 HydrophobicContact CG2-CG1 3.95Å; I222-V257 HydrophobicContact CD1-CG1 4.3Å; T253-V257 HydrophobicContact CG2-CG2 4.16Å; T253-V257 WeakPolarHBondContact O-CG2 3.41Å; T253-V257 PolarHBondContact O-N 3.01Å; L254-V257 PolarHBondContact O-N 2.93Å; P255-V257 PolarHBondContact O-N 2.69Å; V257-A259 VanDerWaalsContact C-N 3.28Å; V257-A259 PolarHBondContact O-N 2.85Å; V257-H260 PolarHBondContact O-N 3.16Å
258F96.8Very high95.3Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-65.7-26.9179.8-74.2-10.1000114.2I222 L254 P255 H260 I261 R267 S284 C286I222-F258 HydrophobicContact CD1-CE1 4.08Å; I222-F258 HydrophobicContact CG1-CE1 3.59Å; I222-F258 HydrophobicContact CG1-CZ 3.96Å; L254-F258 HydrophobicContact CD1-CD1 4.3Å; L254-F258 HydrophobicContact CD1-CD2 4.33Å; L254-F258 HydrophobicContact CD1-CE1 3.81Å; L254-F258 HydrophobicContact CD1-CE2 3.76Å; L254-F258 HydrophobicContact CD1-CZ 3.5Å; L254-F258 HydrophobicContact CD2-CE2 3.99Å; L254-F258 HydrophobicContact CD2-CZ 4.36Å; L254-F258 HydrophobicContact CG-CD2 4.06Å; L254-F258 HydrophobicContact CG-CE2 3.67Å; L254-F258 HydrophobicContact CG-CZ 3.98Å; L254-F258 WeakPolarHBondContact O-CG 3.48Å; L254-F258 PolarHBondContact O-N 2.7Å; P255-F258 PolarHBondContact O-N 2.79Å; F258-H260 PolarHBondContact O-N 3.22Å; F258-I261 HydrophobicContact CD1-CD1 3.53Å; F258-I261 HydrophobicContact CE1-CD1 3.98Å; F258-I261 PolarHBondContact O-N 3.07Å; F258-R267 HydrophobicContact CD1-CB 4.46Å; F258-R267 HydrophobicContact CD1-CG 4.12Å; F258-R267 HydrophobicContact CE1-CB 3.85Å; F258-R267 HydrophobicContact CE1-CG 3.99Å; F258-R267 HydrophobicContact CE2-CB 4.23Å; F258-R267 HydrophobicContact CG-CG 4.44Å; F258-R267 HydrophobicContact CZ-CB 3.73Å; F258-R267 HydrophobicContact CZ-CG 4.27Å; F258-R267 PolarHBondContact O-NH2 3Å; F258-S284 WeakPolarHBondContact CD2-O 3.42Å; F258-C286 HydrophobicContact CE2-CB 3.78Å; F258-C286 HydrophobicContact CZ-CB 4.23Å
259A95.2Very high95.6Very high45 Ų4531.8 Ų31.837%0.37217%0.174SC..Hα-helixtrans-59.2-27.3171.300000113.2W13 P255 K256 V257W13-A259 HydrophobicContact CE3-CB 4.27Å; W13-A259 HydrophobicContact CH2-CB 3.43Å; W13-A259 VanDerWaalsContact CH2-CB 3.43Å; W13-A259 HydrophobicContact CZ3-CB 3.29Å; P255-A259 PolarHBondContact O-N 3.44Å; K256-A259 WeakPolarHBondContact O-CB 3.48Å; V257-A259 VanDerWaalsContact C-N 3.28Å; V257-A259 PolarHBondContact O-N 2.85Å
260H96.7Very high95.6Very high115 Ų11532 Ų3253%0.53218%0.176SC..THydrogen-bonded Turntrans-98.9-0.3-179.1-64.579.9000113.2L206 V209 K256 V257 F258L206-H260 HydrophobicContact CD2-CB 4.37Å; L206-H260 WeakPolarHBondContact CD2-ND1 3.28Å; V209-H260 HydrophobicContact CG1-CB 3.75Å; V209-H260 WeakPolarHBondContact CG1-O 3.13Å; K256-H260 PolarHBondContact O-ND1 3.09Å; V257-H260 PolarHBondContact O-N 3.16Å; F258-H260 PolarHBondContact O-N 3.22Å
261I96.3Very high95.5Very high6 Ų632.8 Ų32.83%0.03118%0.179CC..SBendtrans-89.6134.5174.6-64.9179.7000109.2F214 V220 F258 L265 R267F214-I261 HydrophobicContact CZ-CG1 4.5Å; V220-I261 HydrophobicContact CB-CD1 4.05Å; V220-I261 HydrophobicContact CG1-CD1 3.77Å; V220-I261 HydrophobicContact CG2-CD1 4.15Å; V220-I261 HydrophobicContact CG2-CG2 3.76Å; F258-I261 HydrophobicContact CD1-CD1 3.53Å; F258-I261 HydrophobicContact CE1-CD1 3.98Å; F258-I261 PolarHBondContact O-N 3.07Å; I261-L265 HydrophobicContact CG2-CB 4.29Å; I261-R267 HydrophobicContact CD1-CG 4.45Å
262P95.2Very high95.4Very high34 Ų3430.5 Ų30.522%0.22117%0.165CC..  trans-50129.6175.8-28.133.8000112.4F214 H264 L265F214-P262 HydrophobicContact CB-CG 3.95Å; F214-P262 HydrophobicContact CD1-CG 4.45Å; F214-P262 HydrophobicContact CD2-CG 3.89Å; F214-P262 HydrophobicContact CG-CG 3.84Å; P262-H264 VanDerWaalsContact CB-CE1 3.45Å; P262-H264 WeakPolarHBondContact CB-CE1 3.29Å; P262-H264 PolarHBondContact O-N 3.38Å; P262-H264 VanDerWaalsContact O-N 3.09Å; P262-L265 HydrophobicContact CB-CD1 4.07Å; P262-L265 HydrophobicContact CB-CG 4.17Å; P262-L265 HydrophobicContact CG-CD1 4.04Å; P262-L265 PolarHBondContact O-N 2.91Å
263P93.4Very high95.3Very high93 Ų9328.5 Ų28.560%0.60415%0.151SC*.THydrogen-bonded Turntrans-68.2-17.1-167.125.2-35.3000113.9R15 L265R15-P263 PolarHBondContact NH1-O 3.17Å; R15-P263 PolarHBondContact NH2-O 3.23Å; P263-L265 VanDerWaalsContact C-N 3.33Å
264H93Very high95.2Very high123 Ų12328.1 Ų28.157%0.56915%0.149SC*.THydrogen-bonded Turntrans-83.2-8.917762-86.7000113.2P262P262-H264 VanDerWaalsContact CB-CE1 3.45Å; P262-H264 WeakPolarHBondContact CB-CE1 3.29Å; P262-H264 PolarHBondContact O-N 3.38Å; P262-H264 VanDerWaalsContact O-N 3.09Å
265L95.4Very high95.1Very high5 Ų528.1 Ų28.13%0.02615%0.149CC..SBendtrans-88.9131.5-179.5-64.6-178.5000111.2F214 V220 I261 P262 P263F214-L265 HydrophobicContact CB-CD1 4.12Å; F214-L265 HydrophobicContact CD1-CD1 3.64Å; F214-L265 HydrophobicContact CE1-CD1 4.44Å; F214-L265 HydrophobicContact CG-CD1 4.15Å; V220-L265 HydrophobicContact CG2-CD1 4.26Å; I261-L265 HydrophobicContact CG2-CB 4.29Å; P262-L265 HydrophobicContact CB-CD1 4.07Å; P262-L265 HydrophobicContact CB-CG 4.17Å; P262-L265 HydrophobicContact CG-CD1 4.04Å; P262-L265 PolarHBondContact O-N 2.91Å; P263-L265 VanDerWaalsContact C-N 3.33Å
266P96.9Very high95Very high3 Ų330 Ų302%0.01916%0.155CC..  trans-69.1141173.227.4-32.8000111.3F4 L19 S218 G219 V220 F268 I288F4-P266 HydrophobicContact CB-CB 4.2Å; F4-P266 HydrophobicContact CB-CG 4.02Å; F4-P266 VanDerWaalsContact CD1-CA 3.42Å; F4-P266 HydrophobicContact CD1-CB 3.58Å; F4-P266 HydrophobicContact CD1-CG 4.14Å; F4-P266 VanDerWaalsContact CD1-N 3.29Å; F4-P266 HydrophobicContact CD2-CB 4.15Å; F4-P266 VanDerWaalsContact CE1-CA 3.42Å; F4-P266 HydrophobicContact CE1-CB 3.78Å; F4-P266 HydrophobicContact CE2-CB 4.46Å; F4-P266 HydrophobicContact CG-CB 3.75Å; F4-P266 HydrophobicContact CG-CG 4.13Å; F4-P266 HydrophobicContact CZ-CB 4.29Å; L19-P266 HydrophobicContact CD1-CB 4.18Å; L19-P266 HydrophobicContact CD1-CG 3.98Å; S218-P266 WeakPolarHBondContact O-CD 3.49Å; S218-P266 WeakPolarHBondContact O-CG 2.91Å; G219-P266 WeakPolarHBondContact CA-O 3.4Å; V220-P266 PolarHBondContact N-O 3.13Å; P266-F268 HydrophobicContact CB-CD2 4.44Å; P266-F268 HydrophobicContact CB-CE2 3.87Å; P266-F268 HydrophobicContact CG-CE2 3.86Å; P266-I288 HydrophobicContact CB-CD1 4.48Å
267R97.6Very high94.9Very high13 Ų1325.4 Ų25.45%0.04914%0.135CC..EExtended strand (participates in β ladder)trans-109.5106.4-177.1-60.2151.1-177.4-176.5-3.2109.7F258 I261 G285 C286 D287 I288F258-R267 HydrophobicContact CD1-CB 4.46Å; F258-R267 HydrophobicContact CD1-CG 4.12Å; F258-R267 HydrophobicContact CE1-CB 3.85Å; F258-R267 HydrophobicContact CE1-CG 3.99Å; F258-R267 HydrophobicContact CE2-CB 4.23Å; F258-R267 HydrophobicContact CG-CG 4.44Å; F258-R267 HydrophobicContact CZ-CB 3.73Å; F258-R267 HydrophobicContact CZ-CG 4.27Å; F258-R267 PolarHBondContact O-NH2 3Å; I261-R267 HydrophobicContact CD1-CG 4.45Å; R267-G285 WeakPolarHBondContact CD-O 3.48Å; R267-G285 PolarHBondContact NH1-O 2.97Å; R267-C286 PolarHBondContact O-SG 3.4Å; R267-C286 VanDerWaalsContact O-SG 3.38Å; R267-D287 WeakPolarHBondContact CB-OD2 3.41Å; R267-D287 PolarHBondContact N-OD2 3.35Å; R267-D287 PolarHBondContact O-N 3.3Å; R267-I288 PolarHBondContact O-N 3.35Å; R267-I288 VanDerWaalsContact O-N 3.13Å
268F98.1Very high94.8Very high2 Ų225.4 Ų25.41%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-90.2143.9175.2-65-106.3000109.9L19 V95 F97 L193 V220 V221 I222 P266 I288L19-F268 HydrophobicContact CD2-CZ 4.22Å; V95-F268 HydrophobicContact CG1-CE1 4.17Å; F97-F268 HydrophobicContact CE1-CD1 4.47Å; F97-F268 AromaticContact CZ-CD1 3.91Å; F97-F268 HydrophobicContact CZ-CD1 3.91Å; F97-F268 HydrophobicContact CZ-CE1 4.45Å; L193-F268 HydrophobicContact CD1-CD1 4.44Å; L193-F268 HydrophobicContact CD1-CD2 3.96Å; L193-F268 HydrophobicContact CD1-CE1 4.43Å; L193-F268 HydrophobicContact CD1-CE2 3.97Å; L193-F268 HydrophobicContact CD1-CG 4.21Å; L193-F268 HydrophobicContact CD1-CZ 4.21Å; L193-F268 HydrophobicContact CD2-CD2 4.02Å; L193-F268 HydrophobicContact CD2-CE2 3.66Å; L193-F268 HydrophobicContact CD2-CZ 4.37Å; L193-F268 HydrophobicContact CG-CE2 4.5Å; V220-F268 PolarHBondContact O-N 3.08Å; V221-F268 WeakPolarHBondContact CA-O 3.38Å; V221-F268 HydrophobicContact CB-CB 4.5Å; V221-F268 HydrophobicContact CG2-CB 3.86Å; V221-F268 HydrophobicContact CG2-CG 4.41Å; I222-F268 PolarHBondContact N-O 3.06Å; P266-F268 HydrophobicContact CB-CD2 4.44Å; P266-F268 HydrophobicContact CB-CE2 3.87Å; P266-F268 HydrophobicContact CG-CE2 3.86Å; F268-I288 CarbonylContact C-O 3.56Å; F268-I288 VanDerWaalsContact CA-O 3.3Å; F268-I288 WeakPolarHBondContact CA-O 3.41Å; F268-I288 HydrophobicContact CD1-CB 3.58Å; F268-I288 HydrophobicContact CD1-CD1 4.17Å; F268-I288 HydrophobicContact CD1-CG1 4.46Å; F268-I288 HydrophobicContact CD1-CG2 3.48Å; F268-I288 VanDerWaalsContact CD1-CG2 3.48Å; F268-I288 HydrophobicContact CE1-CB 3.76Å; F268-I288 HydrophobicContact CE1-CD1 3.51Å; F268-I288 HydrophobicContact CE1-CG1 4.22Å; F268-I288 HydrophobicContact CE1-CG2 3.51Å; F268-I288 HydrophobicContact CE2-CD1 3.97Å; F268-I288 HydrophobicContact CG-CB 4.11Å; F268-I288 HydrophobicContact CG-CG2 4.46Å; F268-I288 HydrophobicContact CZ-CB 4.41Å; F268-I288 HydrophobicContact CZ-CD1 3.39Å; F268-I288 HydrophobicContact CZ-CG1 4.46Å; F268-I288 HydrophobicContact CZ-CG2 4.49Å
269I96.7Very high94.8Very high1 Ų125.4 Ų25.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-130.1139.3165.3-161.1160000109I222 L250 L254 I272 C286 I288 F289I222-I269 HydrophobicContact CB-CB 4.43Å; I222-I269 HydrophobicContact CB-CD1 4.16Å; I222-I269 HydrophobicContact CB-CG1 3.96Å; I222-I269 HydrophobicContact CG2-CD1 3.95Å; I222-I269 HydrophobicContact CG2-CG1 4.1Å; I222-I269 WeakPolarHBondContact O-CA 3.43Å; L250-I269 HydrophobicContact CD2-CD1 4.41Å; L254-I269 HydrophobicContact CD1-CD1 4.46Å; L254-I269 HydrophobicContact CD2-CD1 4.11Å; I269-I272 HydrophobicContact CD1-CG1 3.64Å; I269-I272 HydrophobicContact CG1-CG1 3.74Å; I269-I272 HydrophobicContact CG2-CB 4.14Å; I269-I272 HydrophobicContact CG2-CG1 4.25Å; I269-C286 WeakPolarHBondContact CG2-SG 3.34Å; I269-I288 PolarHBondContact N-O 3.2Å; I269-F289 HydrophobicContact CG2-CD1 3.37Å; I269-F289 HydrophobicContact CG2-CE1 3.37Å; I269-F289 HydrophobicContact CG2-CG 4.22Å; I269-F289 HydrophobicContact CG2-CZ 4.21Å
270T94.1Very high94.8Very high7 Ų723.3 Ų23.34%0.04312%0.118CC..  trans-114.2158.1174.658.70000109F63 F97 I222 D223 I272 D290F63-T270 HydrophobicContact CE2-CG2 4.41Å; F97-T270 HydrophobicContact CD1-CG2 3.72Å; F97-T270 HydrophobicContact CE1-CG2 3.69Å; F97-T270 HydrophobicContact CG-CG2 4.48Å; F97-T270 HydrophobicContact CZ-CG2 4.44Å; I222-T270 PolarHBondContact O-N 3.2Å; I222-T270 VanDerWaalsContact O-N 3.14Å; D223-T270 PolarHBondContact OD1-OG1 3.38Å; D223-T270 VanDerWaalsContact OD1-OG1 3.13Å; T270-I272 PolarHBondContact O-N 2.62Å; T270-D290 HydrophobicContact CG2-CB 4.37Å
271Q90.4Very high94.8Very high16 Ų1617.9 Ų17.98%0.0759%0.093CC..SBendtrans72.24.7-179.2-55.2-69.842.700116.5P101 L226 D290 R296P101-Q271 HydrophobicContact CB-CG 4.46Å; P101-Q271 PolarHBondContact O-NE2 2.99Å; P101-Q271 PolarHBondContact O-OE1 2.96Å; L226-Q271 HydrophobicContact CD2-CB 4.49Å; L226-Q271 HydrophobicContact CD2-CG 4.17Å; Q271-D290 PolarHBondContact N-OD2 3.31Å; Q271-R296 VanDerWaalsContact OE1-NH2 3.11Å
272I92.8Very high94.8Very high1 Ų117.6 Ų17.61%0.0059%0.091CC..  trans-105.197.5172.5-54.8-56.7000108.7V225 L246 L250 I269 T270 D277 I278 A281 F289V225-I272 HydrophobicContact CG1-CD1 4.38Å; L246-I272 HydrophobicContact CD1-CD1 3.79Å; L246-I272 HydrophobicContact CD2-CD1 4.47Å; L250-I272 HydrophobicContact CD2-CD1 4.45Å; I269-I272 HydrophobicContact CD1-CG1 3.64Å; I269-I272 HydrophobicContact CG1-CG1 3.74Å; I269-I272 HydrophobicContact CG2-CB 4.14Å; I269-I272 HydrophobicContact CG2-CG1 4.25Å; T270-I272 PolarHBondContact O-N 2.62Å; I272-D277 HydrophobicContact CG2-CB 3.67Å; I272-I278 HydrophobicContact CG2-CG1 4.22Å; I272-I278 WeakPolarHBondContact O-CG1 3.34Å; I272-A281 HydrophobicContact CG2-CB 4.44Å; I272-F289 HydrophobicContact CB-CD1 4.37Å; I272-F289 HydrophobicContact CB-CE1 4.42Å; I272-F289 HydrophobicContact CG2-CD1 4.44Å; I272-F289 HydrophobicContact CG2-CE1 4.15Å
273W92.4Very high94.9Very high12 Ų1219.7 Ų19.75%0.04510%0.095CC..  trans-124-11.8-169.852.3-93.7000114I278 L293 L413 L416W273-I278 WeakPolarHBondContact O-CD1 3.39Å; W273-L293 HydrophobicContact CB-CB 4.34Å; W273-L293 HydrophobicContact CE3-CD1 3.6Å; W273-L293 HydrophobicContact CZ3-CD1 4.03Å; W273-L413 HydrophobicContact CH2-CD2 3.56Å; W273-L413 HydrophobicContact CZ2-CD2 3.65Å; W273-L416 HydrophobicContact CH2-CD1 3.29Å; W273-L416 HydrophobicContact CZ2-CD1 4.47Å; W273-L416 HydrophobicContact CZ3-CD1 3.46Å; W273-L416 VanDerWaalsContact CZ3-CD1 3.46Å
274Q92.6Very high95Very high1 Ų115.6 Ų15.61%0.0057%0.068CC..SBendtrans-78.5134.2177.8-70.2-95.52.800110.1Y276 D277 I278 F411Q274-Y276 VanDerWaalsContact C-N 3.33Å; Q274-Y276 PolarHBondContact O-N 3Å; Q274-D277 HydrophobicContact CB-CB 4.28Å; Q274-D277 WeakPolarHBondContact CB-OD2 3.33Å; Q274-D277 PolarHBondContact O-N 3.35Å; Q274-I278 WeakPolarHBondContact O-CG1 3.03Å; Q274-I278 PolarHBondContact O-N 2.75Å; Q274-F411 PolarHBondContact NE2-O 3.07Å
275P94.5Very high95.2Very high0 Ų09.7 Ų9.70%04%0.041CC..Hα-helixtrans-50.6-46.1-173-32.236.9000114.8I278 A279 L293 W304 F386 V406 W409 F411P275-I278 PolarHBondContact O-N 3.48Å; P275-A279 PolarHBondContact O-N 3.39Å; P275-L293 HydrophobicContact CG-CD2 4.18Å; P275-W304 HydrophobicContact CB-CZ2 4.36Å; P275-W304 HydrophobicContact CG-CH2 3.98Å; P275-W304 HydrophobicContact CG-CZ2 3.72Å; P275-F386 HydrophobicContact CB-CD2 4.3Å; P275-F386 HydrophobicContact CB-CE2 3.75Å; P275-F386 HydrophobicContact CB-CZ 4.18Å; P275-F386 WeakPolarHBondContact O-CZ 3.34Å; P275-V406 HydrophobicContact CB-CB 4.37Å; P275-W409 HydrophobicContact CB-CB 4.28Å; P275-W409 HydrophobicContact CG-CB 4.14Å; P275-F411 HydrophobicContact CG-CE2 3.92Å
276Y93.2Very high95.3Very high51 Ų519.5 Ų9.520%0.24%0.04CC..Hα-helixtrans-69-35.5177.8174.4-84.3000113.6L247 Q274 I278 A279 L280 I403 V406L247-Y276 HydrophobicContact CD1-CE1 4.48Å; Q274-Y276 VanDerWaalsContact C-N 3.33Å; Q274-Y276 PolarHBondContact O-N 3Å; Y276-I278 VanDerWaalsContact C-N 3.34Å; Y276-A279 PolarHBondContact O-N 3.2Å; Y276-L280 HydrophobicContact CD1-CD1 3.75Å; Y276-L280 HydrophobicContact CD1-CG 4.12Å; Y276-L280 HydrophobicContact CE1-CD1 3.27Å; Y276-L280 HydrophobicContact CE1-CG 3.9Å; Y276-L280 WeakPolarHBondContact O-CG 3.16Å; Y276-L280 PolarHBondContact O-N 3.46Å; Y276-I403 HydrophobicContact CD2-CG2 3.9Å; Y276-I403 HydrophobicContact CE2-CG2 3.46Å; Y276-I403 VanDerWaalsContact CE2-CG2 3.46Å; Y276-V406 HydrophobicContact CD2-CG2 4.43Å
277D93.9Very high95.3Very high5 Ų59.4 Ų9.43%0.0274%0.039CC..Hα-helixtrans-70.1-37177.7-59.6-23.4000110.6R227 L250 I272 Q274 L280 A281 R410R227-D277 IonicContact CZ-OD2 2.69Å; R227-D277 IonicContact NE-OD2 3.17Å; R227-D277 IonicContact NH1-OD1 3.37Å; R227-D277 IonicContact NH1-OD2 3.66Å; R227-D277 PolarHBondContact NH1-OD2 3.28Å; L250-D277 HydrophobicContact CD1-CB 3.79Å; I272-D277 HydrophobicContact CG2-CB 3.67Å; Q274-D277 HydrophobicContact CB-CB 4.28Å; Q274-D277 WeakPolarHBondContact CB-OD2 3.33Å; Q274-D277 PolarHBondContact O-N 3.35Å; D277-L280 PolarHBondContact O-N 2.98Å; D277-A281 WeakPolarHBondContact O-CB 3.38Å; D277-A281 PolarHBondContact O-N 3.29Å; D277-R410 IonicContact OD1-CZ 2.67Å; D277-R410 IonicContact OD1-NH1 3.5Å; D277-R410 PolarHBondContact OD1-NH1 2.99Å; D277-R410 IonicContact OD1-NH2 3.2Å; D277-R410 PolarHBondContact OD1-NH2 3.05Å; D277-R410 IonicContact OD2-NH1 2.69Å; D277-R410 PolarHBondContact OD2-NH1 2.84Å
278I96.3Very high95.4Very high0 Ų08.8 Ų8.80%04%0.037CC..Hα-helixtrans-59.5-47.7171.8-67.5167.1000110.3I272 W273 Q274 P275 Y276 L280 A281 A282 F289 Y383 F386 F387 L390I272-I278 HydrophobicContact CG2-CG1 4.22Å; I272-I278 WeakPolarHBondContact O-CG1 3.34Å; W273-I278 WeakPolarHBondContact O-CD1 3.39Å; Q274-I278 WeakPolarHBondContact O-CG1 3.03Å; Q274-I278 PolarHBondContact O-N 2.75Å; P275-I278 PolarHBondContact O-N 3.48Å; Y276-I278 VanDerWaalsContact C-N 3.34Å; I278-L280 VanDerWaalsContact C-N 3.35Å; I278-L280 PolarHBondContact O-N 3.35Å; I278-A281 PolarHBondContact O-N 2.91Å; I278-A282 VanDerWaalsContact O-CB 3.29Å; I278-A282 WeakPolarHBondContact O-CB 3.44Å; I278-A282 PolarHBondContact O-N 3.48Å; I278-F289 HydrophobicContact CB-CD1 4.36Å; I278-F289 HydrophobicContact CB-CE1 4.06Å; I278-F289 HydrophobicContact CB-CZ 4.34Å; I278-F289 HydrophobicContact CG1-CD1 3.87Å; I278-F289 HydrophobicContact CG1-CE1 4Å; I278-F289 HydrophobicContact CG1-CG 4.45Å; I278-F289 HydrophobicContact CG2-CD1 4.1Å; I278-F289 HydrophobicContact CG2-CD2 4.08Å; I278-F289 HydrophobicContact CG2-CE1 3.83Å; I278-F289 HydrophobicContact CG2-CE2 3.82Å; I278-F289 HydrophobicContact CG2-CG 4.23Å; I278-F289 HydrophobicContact CG2-CZ 3.69Å; I278-F289 WeakPolarHBondContact O-CZ 3.44Å; I278-Y383 HydrophobicContact CD1-CE2 3.81Å; I278-Y383 WeakPolarHBondContact CD1-OH 3.49Å; I278-F386 HydrophobicContact CB-CE1 4.26Å; I278-F386 HydrophobicContact CB-CZ 4.06Å; I278-F386 HydrophobicContact CD1-CE1 4.15Å; I278-F386 HydrophobicContact CG2-CE1 3.75Å; I278-F386 HydrophobicContact CG2-CZ 3.85Å; I278-F387 HydrophobicContact CD1-CZ 4.38Å; I278-F387 HydrophobicContact CG2-CE1 3.91Å; I278-F387 HydrophobicContact CG2-CZ 3.77Å; I278-L390 HydrophobicContact CG2-CD2 4.03Å
279A96.2Very high95.4Very high0 Ų08.7 Ų8.70%04%0.037CC..Hα-helixtrans-62-41.4179.700000112.1P275 Y276 R283 F402 I403 V406P275-A279 PolarHBondContact O-N 3.39Å; Y276-A279 PolarHBondContact O-N 3.2Å; A279-R283 WeakPolarHBondContact O-CB 3.39Å; A279-R283 PolarHBondContact O-N 3.14Å; A279-F402 HydrophobicContact CB-CD1 4.07Å; A279-F402 HydrophobicContact CB-CE1 4.01Å; A279-I403 HydrophobicContact CB-CG1 3.8Å; A279-V406 HydrophobicContact CB-CG2 3.72Å
280L95.5Very high95.3Very high2 Ų28.7 Ų8.71%0.014%0.036CC..Hα-helixtrans-63.9-46.4173.8-70.2-177.9000112.4L247 L250 T251 Y276 D277 I278 A282 R283 S284 I403L247-L280 HydrophobicContact CD1-CD1 3.46Å; L247-L280 VanDerWaalsContact CD1-CD1 3.46Å; L250-L280 HydrophobicContact CB-CB 4.31Å; L250-L280 HydrophobicContact CD1-CB 4.39Å; T251-L280 HydrophobicContact CG2-CD1 4.2Å; T251-L280 HydrophobicContact CG2-CD2 4.24Å; Y276-L280 HydrophobicContact CD1-CD1 3.75Å; Y276-L280 HydrophobicContact CD1-CG 4.12Å; Y276-L280 HydrophobicContact CE1-CD1 3.27Å; Y276-L280 HydrophobicContact CE1-CG 3.9Å; Y276-L280 WeakPolarHBondContact O-CG 3.16Å; Y276-L280 PolarHBondContact O-N 3.46Å; D277-L280 PolarHBondContact O-N 2.98Å; I278-L280 VanDerWaalsContact C-N 3.35Å; I278-L280 PolarHBondContact O-N 3.35Å; L280-A282 VanDerWaalsContact C-N 3.33Å; L280-A282 PolarHBondContact O-N 2.9Å; L280-R283 PolarHBondContact O-N 3.36Å; L280-S284 PolarHBondContact O-N 2.78Å; L280-S284 PolarHBondContact O-OG 2.89Å; L280-I403 HydrophobicContact CD2-CD1 4.11Å; L280-I403 HydrophobicContact CD2-CG2 4.15Å
281A96.3Very high95.5Very high0 Ų08.5 Ų8.50%04%0.036CC..Hα-helixtrans-62.1-41.1178.200000111.9L250 L254 I272 D277 I278 S284 G285 C286 F289L250-A281 HydrophobicContact CD2-CB 3.98Å; L254-A281 HydrophobicContact CD2-CB 4.21Å; I272-A281 HydrophobicContact CG2-CB 4.44Å; D277-A281 WeakPolarHBondContact O-CB 3.38Å; D277-A281 PolarHBondContact O-N 3.29Å; I278-A281 PolarHBondContact O-N 2.91Å; A281-S284 CarbonylContact O-C 3.59Å; A281-S284 PolarHBondContact O-N 3.48Å; A281-G285 PolarHBondContact O-N 3.16Å; A281-C286 HydrophobicContact CB-CB 4.14Å; A281-C286 WeakPolarHBondContact O-CB 3.28Å; A281-C286 PolarHBondContact O-N 3.39Å; A281-F289 HydrophobicContact CB-CE1 3.7Å; A281-F289 HydrophobicContact CB-CZ 3.77Å
282A97.2Very high95.7Very high0 Ų07.8 Ų7.80%03%0.033CC..Hα-helixtrans-64.4-43.3175.500000111.6P33 I278 L280 S284 G285 F289 L390P33-A282 HydrophobicContact CB-CB 4.11Å; P33-A282 HydrophobicContact CG-CB 3.95Å; I278-A282 VanDerWaalsContact O-CB 3.29Å; I278-A282 WeakPolarHBondContact O-CB 3.44Å; I278-A282 PolarHBondContact O-N 3.48Å; L280-A282 VanDerWaalsContact C-N 3.33Å; L280-A282 PolarHBondContact O-N 2.9Å; A282-S284 PolarHBondContact O-N 3.45Å; A282-G285 WeakPolarHBondContact O-CA 3.35Å; A282-G285 PolarHBondContact O-N 3.14Å; A282-F289 HydrophobicContact CB-CE2 4.46Å; A282-F289 HydrophobicContact CB-CZ 4.34Å; A282-L390 HydrophobicContact CB-CD1 4.1Å; A282-L390 HydrophobicContact CB-CD2 3.88Å; A282-L390 HydrophobicContact CB-CG 4.42Å
283R96.3Very high95.8Very high79 Ų797.8 Ų7.830%0.2983%0.033SC..Hα-helixtrans-58.1-37.1172.8-173.9177.764.41695.2111.9M14 A279 L280 G285 I399 D400 I403M14-R283 HydrophobicContact CG-CG 4.38Å; M14-R283 VanDerWaalsContact CG-O 3.28Å; M14-R283 WeakPolarHBondContact CG-O 3.36Å; M14-R283 HydrophobicContact SD-CG 4.21Å; A279-R283 WeakPolarHBondContact O-CB 3.39Å; A279-R283 PolarHBondContact O-N 3.14Å; L280-R283 PolarHBondContact O-N 3.36Å; R283-G285 PolarHBondContact O-N 3.2Å; R283-I399 HydrophobicContact CB-CG1 4.11Å; R283-I399 HydrophobicContact CG-CG1 4.35Å; R283-I399 HydrophobicContact CG-CG2 4.24Å; R283-D400 IonicContact CZ-OD1 3.88Å; R283-D400 IonicContact NH1-OD1 2.83Å; R283-D400 PolarHBondContact NH1-OD1 2.97Å; R283-I403 HydrophobicContact CB-CD1 4.12Å; R283-I403 HydrophobicContact CG-CD1 4.37Å
284S95.8Very high96.1Very high6 Ų67.3 Ų7.34%0.0423%0.031CC..THydrogen-bonded Turntrans-75.4-2.2176-64.50000114.2L250 F258 L280 A281 A282L250-S284 WeakPolarHBondContact O-CB 3.5Å; L250-S284 PolarHBondContact O-OG 3.2Å; F258-S284 WeakPolarHBondContact CD2-O 3.42Å; L280-S284 PolarHBondContact O-N 2.78Å; L280-S284 PolarHBondContact O-OG 2.89Å; A281-S284 CarbonylContact O-C 3.59Å; A281-S284 PolarHBondContact O-N 3.48Å; A282-S284 PolarHBondContact O-N 3.45Å
285G96.4Very high96.2Very high0 Ų07.5 Ų7.50%03%0.032CC..THydrogen-bonded Turntrans100.120.717400000115.3W13 R267 A281 A282 R283W13-G285 WeakPolarHBondContact O-CA 3.45Å; R267-G285 WeakPolarHBondContact CD-O 3.48Å; R267-G285 PolarHBondContact NH1-O 2.97Å; A281-G285 PolarHBondContact O-N 3.16Å; A282-G285 WeakPolarHBondContact O-CA 3.35Å; A282-G285 PolarHBondContact O-N 3.14Å; R283-G285 PolarHBondContact O-N 3.2Å
286C97.4Very high96.2Very high1 Ų18.8 Ų8.81%0.0074%0.037CC..  trans-76.6139.6170.4-171.40000111F258 R267 I269 A281 F289F258-C286 HydrophobicContact CE2-CB 3.78Å; F258-C286 HydrophobicContact CZ-CB 4.23Å; R267-C286 PolarHBondContact O-SG 3.4Å; R267-C286 VanDerWaalsContact O-SG 3.38Å; I269-C286 WeakPolarHBondContact CG2-SG 3.34Å; A281-C286 HydrophobicContact CB-CB 4.14Å; A281-C286 WeakPolarHBondContact O-CB 3.28Å; A281-C286 PolarHBondContact O-N 3.39Å; C286-F289 HydrophobicContact CB-CE2 4.48Å; C286-F289 HydrophobicContact CB-CZ 3.99Å
287D98.1Very high96.4Very high0 Ų06.4 Ų6.40%03%0.027CC..  trans-104-39-174.5-56.9-64.3000112.7F4 R15 T32 P33 G34 R267F4-D287 WeakPolarHBondContact CE1-OD2 3.34Å; F4-D287 HydrophobicContact CZ-CB 3.93Å; F4-D287 VanDerWaalsContact CZ-CG 3.43Å; F4-D287 WeakPolarHBondContact CZ-OD1 3.28Å; R15-D287 IonicContact NE-OD1 3.34Å; R15-D287 PolarHBondContact NE-OD1 3.02Å; R15-D287 VanDerWaalsContact NE-OD1 3.16Å; R15-D287 IonicContact NE-OD2 3.66Å; T32-D287 WeakPolarHBondContact CB-O 2.98Å; T32-D287 HydrophobicContact CG2-CB 4.11Å; P33-D287 VanDerWaalsContact CA-O 3.23Å; P33-D287 WeakPolarHBondContact CA-O 2.97Å; G34-D287 PolarHBondContact N-O 3.23Å; R267-D287 WeakPolarHBondContact CB-OD2 3.41Å; R267-D287 PolarHBondContact N-OD2 3.35Å; R267-D287 PolarHBondContact O-N 3.3Å
288I98.3Very high96.5Very high0 Ų06.1 Ų6.10%03%0.026CC..EExtended strand (participates in β ladder)trans-137.6134.4-169.1-58.4168.8000112.5L19 L30 T32 G34 L36 P266 R267 F268 I269L19-I288 HydrophobicContact CB-CD1 4.36Å; L19-I288 HydrophobicContact CD1-CD1 4.44Å; L19-I288 HydrophobicContact CD2-CD1 3.75Å; L19-I288 HydrophobicContact CG-CD1 4.42Å; L30-I288 HydrophobicContact CD2-CD1 4.22Å; L30-I288 HydrophobicContact CD2-CG1 4.24Å; L30-I288 HydrophobicContact CD2-CG2 4.24Å; T32-I288 HydrophobicContact CG2-CD1 4.21Å; T32-I288 HydrophobicContact CG2-CG1 3.81Å; G34-I288 CarbonylContact O-C 3.55Å; G34-I288 WeakPolarHBondContact O-CA 3.39Å; L36-I288 HydrophobicContact CD1-CG2 4.46Å; L36-I288 HydrophobicContact CD2-CG2 3.93Å; L36-I288 HydrophobicContact CG-CG2 3.85Å; P266-I288 HydrophobicContact CB-CD1 4.48Å; R267-I288 PolarHBondContact O-N 3.35Å; R267-I288 VanDerWaalsContact O-N 3.13Å; F268-I288 CarbonylContact C-O 3.56Å; F268-I288 VanDerWaalsContact CA-O 3.3Å; F268-I288 WeakPolarHBondContact CA-O 3.41Å; F268-I288 HydrophobicContact CD1-CB 3.58Å; F268-I288 HydrophobicContact CD1-CD1 4.17Å; F268-I288 HydrophobicContact CD1-CG1 4.46Å; F268-I288 HydrophobicContact CD1-CG2 3.48Å; F268-I288 VanDerWaalsContact CD1-CG2 3.48Å; F268-I288 HydrophobicContact CE1-CB 3.76Å; F268-I288 HydrophobicContact CE1-CD1 3.51Å; F268-I288 HydrophobicContact CE1-CG1 4.22Å; F268-I288 HydrophobicContact CE1-CG2 3.51Å; F268-I288 HydrophobicContact CE2-CD1 3.97Å; F268-I288 HydrophobicContact CG-CB 4.11Å; F268-I288 HydrophobicContact CG-CG2 4.46Å; F268-I288 HydrophobicContact CZ-CB 4.41Å; F268-I288 HydrophobicContact CZ-CD1 3.39Å; F268-I288 HydrophobicContact CZ-CG1 4.46Å; F268-I288 HydrophobicContact CZ-CG2 4.49Å; I269-I288 PolarHBondContact N-O 3.2Å
289F98.1Very high96.4Very high1 Ų18.1 Ų8.10%0.0043%0.034CC..EExtended strand (participates in β ladder)trans-115.6159.9-179-60.8-96.2000112.3P33 G34 C35 L36 I269 I272 I278 A281 A282 C286 G291 F387P33-F289 HydrophobicContact CB-CE2 4.46Å; G34-F289 WeakPolarHBondContact O-CD2 3.46Å; G34-F289 PolarHBondContact O-N 3.08Å; C35-F289 WeakPolarHBondContact CA-O 3.46Å; C35-F289 HydrophobicContact CB-CB 4.41Å; L36-F289 PolarHBondContact N-O 2.89Å; I269-F289 HydrophobicContact CG2-CD1 3.37Å; I269-F289 HydrophobicContact CG2-CE1 3.37Å; I269-F289 HydrophobicContact CG2-CG 4.22Å; I269-F289 HydrophobicContact CG2-CZ 4.21Å; I272-F289 HydrophobicContact CB-CD1 4.37Å; I272-F289 HydrophobicContact CB-CE1 4.42Å; I272-F289 HydrophobicContact CG2-CD1 4.44Å; I272-F289 HydrophobicContact CG2-CE1 4.15Å; I278-F289 HydrophobicContact CB-CD1 4.36Å; I278-F289 HydrophobicContact CB-CE1 4.06Å; I278-F289 HydrophobicContact CB-CZ 4.34Å; I278-F289 HydrophobicContact CG1-CD1 3.87Å; I278-F289 HydrophobicContact CG1-CE1 4Å; I278-F289 HydrophobicContact CG1-CG 4.45Å; I278-F289 HydrophobicContact CG2-CD1 4.1Å; I278-F289 HydrophobicContact CG2-CD2 4.08Å; I278-F289 HydrophobicContact CG2-CE1 3.83Å; I278-F289 HydrophobicContact CG2-CE2 3.82Å; I278-F289 HydrophobicContact CG2-CG 4.23Å; I278-F289 HydrophobicContact CG2-CZ 3.69Å; I278-F289 WeakPolarHBondContact O-CZ 3.44Å; A281-F289 HydrophobicContact CB-CE1 3.7Å; A281-F289 HydrophobicContact CB-CZ 3.77Å; A282-F289 HydrophobicContact CB-CE2 4.46Å; A282-F289 HydrophobicContact CB-CZ 4.34Å; C286-F289 HydrophobicContact CB-CE2 4.48Å; C286-F289 HydrophobicContact CB-CZ 3.99Å; F289-G291 PolarHBondContact O-N 2.75Å; F289-F387 HydrophobicContact CB-CZ 3.96Å; F289-F387 AromaticContact CD2-CE1 3.57Å; F289-F387 HydrophobicContact CD2-CE1 3.57Å; F289-F387 AromaticContact CD2-CZ 3.64Å; F289-F387 HydrophobicContact CD2-CZ 3.64Å; F289-F387 HydrophobicContact CE2-CE1 4.07Å; F289-F387 HydrophobicContact CE2-CZ 4.44Å; F289-F387 HydrophobicContact CG-CE1 4.34Å; F289-F387 AromaticContact CG-CZ 3.95Å; F289-F387 HydrophobicContact CG-CZ 3.95Å
290D96.1Very high96.3Very high0 Ų08.2 Ų8.20%03%0.034CC..  trans-70.3-26.5-171.660.572.8000115.8F63 P101 T270 Q271 S292F63-D290 HydrophobicContact CD2-CB 4.06Å; F63-D290 HydrophobicContact CE2-CB 4.15Å; P101-D290 HydrophobicContact CB-CB 4.35Å; P101-D290 HydrophobicContact CG-CB 3.99Å; T270-D290 HydrophobicContact CG2-CB 4.37Å; Q271-D290 PolarHBondContact N-OD2 3.31Å; D290-S292 WeakPolarHBondContact OD1-CB 3.36Å; D290-S292 PolarHBondContact OD1-N 3.46Å; D290-S292 PolarHBondContact OD1-OG 2.89Å
291G96.9Very high96.3Very high4 Ų48.1 Ų8.14%0.0413%0.033CC..  trans8611.3176.500000116.7L36 Y38 F289 L293 P294L36-G291 WeakPolarHBondContact O-CA 3.22Å; Y38-G291 WeakPolarHBondContact CB-O 3.42Å; F289-G291 PolarHBondContact O-N 2.75Å; G291-L293 PolarHBondContact O-N 3.4Å; G291-P294 WeakPolarHBondContact O-CD 3.44Å
292S95.7Very high96.2Very high0 Ų08.1 Ų8.10%03%0.033CC..  trans-77.3-13.2-17261.60000115.7D290 Y295 R296D290-S292 WeakPolarHBondContact OD1-CB 3.36Å; D290-S292 PolarHBondContact OD1-N 3.46Å; D290-S292 PolarHBondContact OD1-OG 2.89Å; S292-Y295 PolarHBondContact O-N 3.18Å; S292-R296 WeakPolarHBondContact O-CG 3.49Å; S292-R296 PolarHBondContact O-N 3.49Å; S292-R296 PolarHBondContact OG-NE 3.3Å; S292-R296 PolarHBondContact OG-NH2 3.41Å
293L95.6Very high96.2Very high1 Ų18.1 Ų8.11%0.0053%0.033CC..Hα-helixtrans-54.4-50.2-175.317669.4000113W273 P275 G291 Y295 R296 L297 W304 Y383 F411W273-L293 HydrophobicContact CB-CB 4.34Å; W273-L293 HydrophobicContact CE3-CD1 3.6Å; W273-L293 HydrophobicContact CZ3-CD1 4.03Å; P275-L293 HydrophobicContact CG-CD2 4.18Å; G291-L293 PolarHBondContact O-N 3.4Å; L293-Y295 PolarHBondContact O-N 3.06Å; L293-R296 PolarHBondContact O-N 3.13Å; L293-R296 VanDerWaalsContact O-N 3.08Å; L293-L297 HydrophobicContact CD1-CD1 4Å; L293-L297 HydrophobicContact CD1-CD2 3.86Å; L293-L297 HydrophobicContact CD1-CG 3.76Å; L293-L297 HydrophobicContact CG-CD1 4.07Å; L293-L297 HydrophobicContact CG-CG 4.14Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.19Å; L293-W304 HydrophobicContact CD2-CE3 4.21Å; L293-W304 HydrophobicContact CD2-CH2 4.27Å; L293-W304 HydrophobicContact CD2-CZ3 3.86Å; L293-Y383 HydrophobicContact CB-CD2 4.25Å; L293-Y383 HydrophobicContact CB-CE2 3.83Å; L293-Y383 HydrophobicContact CD2-CD2 3.64Å; L293-Y383 HydrophobicContact CD2-CE2 3.62Å; L293-Y383 HydrophobicContact CG-CD2 4.44Å; L293-Y383 HydrophobicContact CG-CE2 4.34Å; L293-F411 HydrophobicContact CD1-CD2 3.84Å; L293-F411 HydrophobicContact CD1-CE2 3.75Å; L293-F411 HydrophobicContact CD2-CE2 4.02Å; L293-F411 HydrophobicContact CG-CE2 4.48Å
294P97.4Very high96.2Very high2 Ų24.4 Ų4.41%0.0132%0.019CC..Hα-helixtrans-55-40.5-179.6-28.637.4000113.6G291 S298 M376 N379 S380 Y383G291-P294 WeakPolarHBondContact O-CD 3.44Å; P294-S298 VanDerWaalsContact O-CB 3.29Å; P294-S298 WeakPolarHBondContact O-CB 3.41Å; P294-S298 PolarHBondContact O-N 3.18Å; P294-S298 PolarHBondContact O-OG 3.45Å; P294-M376 HydrophobicContact CB-CE 4.13Å; P294-M376 HydrophobicContact CB-SD 3.94Å; P294-N379 HydrophobicContact CB-CB 3.98Å; P294-S380 WeakPolarHBondContact CB-OG 3.41Å; P294-Y383 HydrophobicContact CG-CD1 3.77Å; P294-Y383 HydrophobicContact CG-CG 3.94Å
295Y96.2Very high96.1Very high5 Ų55.2 Ų5.22%0.022%0.024CC..Hα-helixtrans-68-45177.2164.2-99.2000111.7Y38 R40 P45 F46 T102 S292 L293 L297 S298 R299Y38-Y295 HydrophobicContact CD1-CG 4.23Å; Y38-Y295 AromaticContact CE1-CD1 3.72Å; Y38-Y295 HydrophobicContact CE1-CD1 3.72Å; Y38-Y295 HydrophobicContact CE1-CD2 4.46Å; Y38-Y295 HydrophobicContact CE1-CE1 4.43Å; Y38-Y295 AromaticContact CE1-CG 3.72Å; Y38-Y295 HydrophobicContact CE1-CG 3.72Å; R40-Y295 VanDerWaalsContact CZ-OH 3.3Å; R40-Y295 PolarHBondContact NH1-OH 2.99Å; P45-Y295 HydrophobicContact CB-CD2 3.49Å; P45-Y295 VanDerWaalsContact CB-CD2 3.49Å; P45-Y295 HydrophobicContact CB-CE2 4.15Å; P45-Y295 HydrophobicContact CB-CG 4.32Å; P45-Y295 HydrophobicContact CG-CD2 3.69Å; P45-Y295 HydrophobicContact CG-CE2 4.42Å; P45-Y295 HydrophobicContact CG-CG 4.09Å; F46-Y295 AromaticContact CE2-CD2 3.95Å; F46-Y295 HydrophobicContact CE2-CD2 3.95Å; F46-Y295 HydrophobicContact CE2-CE2 4.25Å; F46-Y295 HydrophobicContact CZ-CD2 4.14Å; F46-Y295 AromaticContact CZ-CE2 3.96Å; F46-Y295 HydrophobicContact CZ-CE2 3.96Å; T102-Y295 HydrophobicContact CG2-CD1 3.53Å; T102-Y295 HydrophobicContact CG2-CE1 3.65Å; S292-Y295 PolarHBondContact O-N 3.18Å; L293-Y295 PolarHBondContact O-N 3.06Å; Y295-L297 VanDerWaalsContact C-N 3.29Å; Y295-L297 PolarHBondContact O-N 3.3Å; Y295-S298 PolarHBondContact O-N 3.19Å; Y295-R299 HydrophobicContact CE2-CB 4.27Å; Y295-R299 VanDerWaalsContact O-CB 3.28Å; Y295-R299 WeakPolarHBondContact O-CB 3.16Å; Y295-R299 PolarHBondContact O-N 3.06Å; Y295-R299 WeakPolarHBondContact OH-CD 3.17Å
296R94.5Very high95.9Very high28 Ų285.3 Ų5.311%0.1063%0.025CC..Hα-helixtrans-55.8-45.9177.4-66.9173.9-170.7-86.85.1111.2P101 T102 Q271 S292 L293 S300 L416P101-R296 PolarHBondContact O-NH2 3.17Å; T102-R296 HydrophobicContact CG2-CG 4.43Å; Q271-R296 VanDerWaalsContact OE1-NH2 3.11Å; S292-R296 WeakPolarHBondContact O-CG 3.49Å; S292-R296 PolarHBondContact O-N 3.49Å; S292-R296 PolarHBondContact OG-NE 3.3Å; S292-R296 PolarHBondContact OG-NH2 3.41Å; L293-R296 PolarHBondContact O-N 3.13Å; L293-R296 VanDerWaalsContact O-N 3.08Å; R296-S300 PolarHBondContact O-N 2.93Å; R296-S300 PolarHBondContact O-OG 3.28Å; R296-L416 HydrophobicContact CB-CD2 4.46Å
297L95.7Very high95.6Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-66.7-50.7178.7-60-172.4000111.5L293 Y295 R299 S300 G301 I302 W304 F411 L416L293-L297 HydrophobicContact CD1-CD1 4Å; L293-L297 HydrophobicContact CD1-CD2 3.86Å; L293-L297 HydrophobicContact CD1-CG 3.76Å; L293-L297 HydrophobicContact CG-CD1 4.07Å; L293-L297 HydrophobicContact CG-CG 4.14Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.19Å; Y295-L297 VanDerWaalsContact C-N 3.29Å; Y295-L297 PolarHBondContact O-N 3.3Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.08Å; L297-S300 CarbonylContact O-C 3.56Å; L297-S300 PolarHBondContact O-N 3.16Å; L297-S300 VanDerWaalsContact O-N 3.1Å; L297-G301 PolarHBondContact O-N 2.88Å; L297-I302 CarbonylContact C-O 3.51Å; L297-I302 HydrophobicContact CB-CB 4.14Å; L297-I302 HydrophobicContact CB-CG2 4.36Å; L297-I302 HydrophobicContact CD2-CB 4.38Å; L297-I302 HydrophobicContact CD2-CG2 4.07Å; L297-I302 PolarHBondContact O-N 3.04Å; L297-W304 HydrophobicContact CD1-CB 3.76Å; L297-W304 HydrophobicContact CD1-CG 4.34Å; L297-F411 HydrophobicContact CD1-CE1 3.94Å; L297-F411 HydrophobicContact CD1-CE2 4.22Å; L297-F411 HydrophobicContact CD1-CZ 3.74Å; L297-F411 HydrophobicContact CD2-CB 4.36Å; L297-F411 HydrophobicContact CD2-CD1 3.69Å; L297-F411 HydrophobicContact CD2-CD2 4.05Å; L297-F411 HydrophobicContact CD2-CE1 3.9Å; L297-F411 HydrophobicContact CD2-CE2 4.25Å; L297-F411 HydrophobicContact CD2-CG 3.76Å; L297-F411 HydrophobicContact CD2-CZ 4.18Å; L297-L416 HydrophobicContact CD2-CD2 3.66Å
298S96.5Very high95.2Very high0 Ų012.1 Ų12.10%06%0.059CC..Hα-helixtrans-65.4-38.5-173.5-50.80000112.3P294 Y295 S300 G301 L375 M376 N379P294-S298 VanDerWaalsContact O-CB 3.29Å; P294-S298 WeakPolarHBondContact O-CB 3.41Å; P294-S298 PolarHBondContact O-N 3.18Å; P294-S298 PolarHBondContact O-OG 3.45Å; Y295-S298 PolarHBondContact O-N 3.19Å; S298-S300 VanDerWaalsContact C-N 3.25Å; S298-S300 PolarHBondContact O-N 3.41Å; S298-G301 PolarHBondContact O-N 3.19Å; S298-G301 VanDerWaalsContact O-N 3.17Å; S298-L375 VanDerWaalsContact OG-C 3.28Å; S298-L375 PolarHBondContact OG-O 2.93Å; S298-M376 WeakPolarHBondContact OG-CA 3.44Å; S298-M376 PolarHBondContact OG-N 2.88Å; S298-N379 PolarHBondContact OG-ND2 3.49Å
299R94Very high94.9Very high42 Ų4212.2 Ų12.216%0.1586%0.059CC..Hα-helixtrans-61.3-36.2175.1-171.6-173.6100.7133.4-3112Y295 L297 G301 T417 D419 K420 T421Y295-R299 HydrophobicContact CE2-CB 4.27Å; Y295-R299 VanDerWaalsContact O-CB 3.28Å; Y295-R299 WeakPolarHBondContact O-CB 3.16Å; Y295-R299 PolarHBondContact O-N 3.06Å; Y295-R299 WeakPolarHBondContact OH-CD 3.17Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.08Å; R299-G301 VanDerWaalsContact C-N 3.28Å; R299-G301 PolarHBondContact O-N 2.79Å; R299-T417 PolarHBondContact NH2-O 3.41Å; R299-D419 VanDerWaalsContact CD-OD2 3.26Å; R299-D419 WeakPolarHBondContact CD-OD2 3.38Å; R299-D419 HydrophobicContact CG-CB 4.33Å; R299-D419 VanDerWaalsContact CG-CG 3.45Å; R299-D419 WeakPolarHBondContact CG-OD1 3.34Å; R299-D419 IonicContact CZ-OD2 3.2Å; R299-D419 IonicContact NE-OD2 2.74Å; R299-D419 PolarHBondContact NE-OD2 3.02Å; R299-D419 IonicContact NH1-OD2 3.19Å; R299-D419 PolarHBondContact NH1-OD2 3.04Å; R299-K420 PolarHBondContact O-N 3.12Å; R299-T421 HydrophobicContact CB-CG2 4.33Å; R299-T421 HydrophobicContact CG-CG2 3.91Å
300S94.1Very high94.5Very high1 Ų116 Ų161%0.0078%0.079CC..THydrogen-bonded Turntrans-89.29.9179.8-620000113.7R296 L297 S298 I302 I415 L416 V418 K420R296-S300 PolarHBondContact O-N 2.93Å; R296-S300 PolarHBondContact O-OG 3.28Å; L297-S300 CarbonylContact O-C 3.56Å; L297-S300 PolarHBondContact O-N 3.16Å; L297-S300 VanDerWaalsContact O-N 3.1Å; S298-S300 VanDerWaalsContact C-N 3.25Å; S298-S300 PolarHBondContact O-N 3.41Å; S300-I302 VanDerWaalsContact C-N 3.33Å; S300-I415 WeakPolarHBondContact CB-O 3.43Å; S300-I415 PolarHBondContact OG-O 3.05Å; S300-L416 WeakPolarHBondContact OG-CA 3.49Å; S300-L416 PolarHBondContact OG-O 3.26Å; S300-V418 WeakPolarHBondContact CA-O 3.48Å; S300-V418 WeakPolarHBondContact CB-O 3.4Å; S300-V418 PolarHBondContact OG-O 3.12Å; S300-K420 VanDerWaalsContact O-CD 3.29Å; S300-K420 WeakPolarHBondContact O-CD 3.36Å; S300-K420 WeakPolarHBondContact O-CE 3Å
301G95.2Very high93.9Very high0 Ų019.1 Ų19.10%09%0.094CC..THydrogen-bonded Turntrans68.131.3-179.900000113L297 S298 R299 F326L297-G301 PolarHBondContact O-N 2.88Å; S298-G301 PolarHBondContact O-N 3.19Å; S298-G301 VanDerWaalsContact O-N 3.17Å; R299-G301 VanDerWaalsContact C-N 3.28Å; R299-G301 PolarHBondContact O-N 2.79Å; G301-F326 WeakPolarHBondContact O-CA 3.49Å; G301-F326 WeakPolarHBondContact O-CB 3.37Å; G301-F326 WeakPolarHBondContact O-CD2 3.49Å; G301-F326 PolarHBondContact O-N 2.99Å
302I95.7Very high93.3Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-106.2126.5-177.4-63.9162000109.9L297 S300 F323 L324 E325 N379 I415 L416L297-I302 CarbonylContact C-O 3.51Å; L297-I302 HydrophobicContact CB-CB 4.14Å; L297-I302 HydrophobicContact CB-CG2 4.36Å; L297-I302 HydrophobicContact CD2-CB 4.38Å; L297-I302 HydrophobicContact CD2-CG2 4.07Å; L297-I302 PolarHBondContact O-N 3.04Å; S300-I302 VanDerWaalsContact C-N 3.33Å; I302-F323 HydrophobicContact CG2-CB 3.82Å; I302-F323 HydrophobicContact CG2-CD2 4.11Å; I302-F323 HydrophobicContact CG2-CG 4.24Å; I302-L324 CarbonylContact C-O 3.56Å; I302-L324 WeakPolarHBondContact CA-O 3.38Å; I302-E325 HydrophobicContact CG1-CG 4.44Å; I302-N379 PolarHBondContact O-ND2 2.96Å; I302-I415 HydrophobicContact CD1-CB 4.35Å; I302-I415 HydrophobicContact CD1-CD1 3.41Å; I302-I415 VanDerWaalsContact CD1-CD1 3.41Å; I302-I415 HydrophobicContact CD1-CG1 3.66Å; I302-I415 HydrophobicContact CG1-CD1 4.22Å; I302-L416 HydrophobicContact CD1-CD2 3.54Å; I302-L416 HydrophobicContact CD1-CG 4.23Å
303G96.6Very high92.4Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-98.4117.4168.300000110.6F323 L324G303-F323 CarbonylContact O-C 3.5Å; G303-F323 VanDerWaalsContact O-CA 3.25Å; G303-F323 WeakPolarHBondContact O-CA 3.21Å; G303-L324 PolarHBondContact N-O 3.19Å; G303-L324 PolarHBondContact O-N 3.17Å
304W96Very high90.5Very high1 Ų130.4 Ų30.40%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-72.7129.1176.5-173.510.8000111.1P275 L293 L297 Y306 H378 N379 Q382 Y383 F386 W409 F411P275-W304 HydrophobicContact CB-CZ2 4.36Å; P275-W304 HydrophobicContact CG-CH2 3.98Å; P275-W304 HydrophobicContact CG-CZ2 3.72Å; L293-W304 HydrophobicContact CD2-CE3 4.21Å; L293-W304 HydrophobicContact CD2-CH2 4.27Å; L293-W304 HydrophobicContact CD2-CZ3 3.86Å; L297-W304 HydrophobicContact CD1-CB 3.76Å; L297-W304 HydrophobicContact CD1-CG 4.34Å; W304-Y306 AromaticContact CE2-CD2 3.95Å; W304-Y306 HydrophobicContact CH2-CD2 4.22Å; W304-Y306 HydrophobicContact CH2-CG 4.42Å; W304-Y306 AromaticContact CZ2-CD2 3.5Å; W304-Y306 HydrophobicContact CZ2-CD2 3.5Å; W304-Y306 HydrophobicContact CZ2-CE2 4.27Å; W304-Y306 AromaticContact CZ2-CG 3.94Å; W304-Y306 HydrophobicContact CZ2-CG 3.94Å; W304-H378 PolarHBondContact O-NE2 2.74Å; W304-N379 PolarHBondContact N-OD1 3.3Å; W304-Q382 HydrophobicContact CD2-CB 4.39Å; W304-Q382 HydrophobicContact CE3-CB 3.91Å; W304-Q382 HydrophobicContact CZ3-CB 4.37Å; W304-Y383 HydrophobicContact CH2-CD2 4.17Å; W304-Y383 AromaticContact CZ3-CD2 3.7Å; W304-Y383 HydrophobicContact CZ3-CD2 3.7Å; W304-Y383 HydrophobicContact CZ3-CG 4.27Å; W304-F386 HydrophobicContact CH2-CB 3.65Å; W304-F386 HydrophobicContact CH2-CD2 4.12Å; W304-F386 AromaticContact CH2-CG 3.85Å; W304-F386 HydrophobicContact CH2-CG 3.85Å; W304-F386 HydrophobicContact CZ2-CB 4.48Å; W304-F386 HydrophobicContact CZ2-CD2 4.49Å; W304-F386 HydrophobicContact CZ3-CB 4.35Å; W304-W409 AromaticContact CD1-CD1 3.67Å; W304-W409 AromaticContact CD1-NE1 3.76Å; W304-W409 AromaticContact NE1-CD1 3.06Å; W304-W409 AromaticContact NE1-CG 3.81Å; W304-W409 AromaticContact NE1-NE1 3.22Å; W304-F411 HydrophobicContact CB-CZ 4.36Å; W304-F411 AromaticContact CD1-CZ 3.67Å; W304-F411 AromaticContact CD2-CZ 3.99Å; W304-F411 HydrophobicContact CD2-CZ 3.99Å; W304-F411 HydrophobicContact CG-CE1 4.29Å; W304-F411 AromaticContact CG-CZ 3.77Å; W304-F411 HydrophobicContact CG-CZ 3.77Å; W304-F411 AromaticContact NE1-CZ 3.87Å
305V93.9Very high88.5Confident24 Ų2434.2 Ų34.215%0.14519%0.187CC..  trans-102.1101.4168.7-176.10000107.3P321 K322 L324 I343 Q344 W409V305-P321 VanDerWaalsContact CB-O 3.26Å; V305-P321 WeakPolarHBondContact CB-O 3.23Å; V305-K322 PolarHBondContact N-O 3.39Å; V305-K322 VanDerWaalsContact N-O 3.12Å; V305-K322 VanDerWaalsContact O-O 3.13Å; V305-L324 HydrophobicContact CG2-CD1 4.47Å; V305-L324 HydrophobicContact CG2-CG 4.1Å; V305-I343 HydrophobicContact CG2-CG2 4.47Å; V305-Q344 HydrophobicContact CG1-CG 4.29Å; V305-W409 PolarHBondContact O-NE1 2.78Å
306Y93.1Very high86.4Confident1 Ų135.7 Ų35.70%0.00420%0.198CC..  trans-106.5115.2-178177.5-113.4000110.3W304 Q344 R385 F386 D389W304-Y306 AromaticContact CE2-CD2 3.95Å; W304-Y306 HydrophobicContact CH2-CD2 4.22Å; W304-Y306 HydrophobicContact CH2-CG 4.42Å; W304-Y306 AromaticContact CZ2-CD2 3.5Å; W304-Y306 HydrophobicContact CZ2-CD2 3.5Å; W304-Y306 HydrophobicContact CZ2-CE2 4.27Å; W304-Y306 AromaticContact CZ2-CG 3.94Å; W304-Y306 HydrophobicContact CZ2-CG 3.94Å; Y306-Q344 PolarHBondContact O-NE2 3.2Å; Y306-Q344 PolarHBondContact O-OE1 2.62Å; Y306-R385 HydrophobicContact CE1-CB 4.38Å; Y306-F386 HydrophobicContact CD1-CB 4.49Å; Y306-F386 HydrophobicContact CE1-CB 4.06Å; Y306-F386 HydrophobicContact CE2-CB 4.19Å; Y306-F386 HydrophobicContact CE2-CD2 4.06Å; Y306-D389 WeakPolarHBondContact OH-CB 3.37Å; Y306-D389 PolarHBondContact OH-OD2 2.88Å
307E89.3Confident84.3Confident73 Ų7341.9 Ų41.934%0.34123%0.23SC..PPolyproline II helixtrans-85.4132.5169.9-168.4-172.9-178.500109.3S316 V318 H405 W409E307-S316 PolarHBondContact OE1-OG 2.98Å; E307-S316 WeakPolarHBondContact OE2-CB 3.28Å; E307-V318 WeakPolarHBondContact OE2-CG2 3.46Å; E307-H405 PolarHBondContact O-NE2 3.34Å; E307-W409 HydrophobicContact CB-CH2 4.23Å; E307-W409 HydrophobicContact CB-CZ2 4.33Å
308D90.1Very high82.2Confident71 Ų7144.6 Ų44.638%0.3825%0.247SC..PPolyproline II helixtrans-59.6142.1176.6-68.4-28000110.4N310 R385 D389D308-N310 PolarHBondContact O-N 3.46Å; D308-R385 IonicContact OD1-CZ 2.74Å; D308-R385 IonicContact OD1-NE 2.7Å; D308-R385 PolarHBondContact OD1-NE 3.3Å; D308-R385 IonicContact OD1-NH2 3.19Å; D308-R385 PolarHBondContact OD1-NH2 2.69Å; D308-R385 IonicContact OD2-CZ 2.66Å; D308-R385 IonicContact OD2-NH2 2.82Å; D308-R385 PolarHBondContact OD2-NH2 2.67Å; D308-D389 WeakPolarHBondContact CA-OD2 3.48Å
309W91.9Very high80.2Confident3 Ų350.5 Ų50.51%0.01129%0.288CS..PPolyproline II helixtrans-71126.2178172.768.7000110.8E311 D389 R392 V396 K398 S401 F402 H405W309-E311 HydrophobicContact CH2-CB 3.9Å; W309-E311 HydrophobicContact CH2-CG 3.64Å; W309-E311 HydrophobicContact CZ2-CB 4.33Å; W309-E311 HydrophobicContact CZ2-CG 4.21Å; W309-E311 HydrophobicContact CZ3-CB 4.16Å; W309-E311 HydrophobicContact CZ3-CG 4.26Å; W309-D389 HydrophobicContact CB-CB 4.15Å; W309-D389 PolarHBondContact N-OD2 2.82Å; W309-R392 VanDerWaalsContact CE3-NH1 3.33Å; W309-R392 HydrophobicContact CZ3-CG 4.29Å; W309-R392 PolarHBondContact O-NH1 3.03Å; W309-R392 PolarHBondContact O-NH2 3.4Å; W309-V396 HydrophobicContact CH2-CG2 3.71Å; W309-V396 HydrophobicContact CZ3-CG2 4.16Å; W309-K398 HydrophobicContact CH2-CB 3.84Å; W309-K398 HydrophobicContact CH2-CD 4.46Å; W309-K398 HydrophobicContact CZ2-CB 3.78Å; W309-S401 PolarHBondContact NE1-OG 3.27Å; W309-S401 VanDerWaalsContact NE1-OG 3.15Å; W309-F402 HydrophobicContact CB-CD2 3.63Å; W309-F402 HydrophobicContact CB-CE2 3.91Å; W309-F402 AromaticContact CD1-CD2 3.95Å; W309-F402 HydrophobicContact CD2-CB 4.36Å; W309-F402 AromaticContact CD2-CD2 3.93Å; W309-F402 HydrophobicContact CD2-CD2 3.93Å; W309-F402 HydrophobicContact CE3-CD2 4.46Å; W309-F402 HydrophobicContact CG-CB 4.42Å; W309-F402 AromaticContact CG-CD2 3.53Å; W309-F402 HydrophobicContact CG-CD2 3.53Å; W309-F402 HydrophobicContact CG-CE2 4.31Å; W309-F402 HydrophobicContact CG-CG 4.46Å; W309-H405 AromaticContact CD1-CG 3.91Å
310N89.7Confident78.7Confident80 Ų8053.3 Ų53.343%0.42831%0.306SS..BIsolated β-bridgetrans-101.2121174.5-168.7-22.8000111.3D308 T312 N313D308-N310 PolarHBondContact O-N 3.46Å; N310-T312 PolarHBondContact O-N 3.44Å; N310-T312 PolarHBondContact OD1-N 2.86Å; N310-T312 PolarHBondContact OD1-OG1 3.45Å; N310-N313 HydrophobicContact CB-CB 4.21Å; N310-N313 CarbonylContact O-C 3.6Å; N310-N313 PolarHBondContact O-N 3.17Å
311E83.7Confident77.6Confident66 Ų6656.2 Ų56.231%0.30833%0.325SS..THydrogen-bonded Turntrans-61.1-29.3-179.3-161.7-158.8135.100113.6W309 V396 K398W309-E311 HydrophobicContact CH2-CB 3.9Å; W309-E311 HydrophobicContact CH2-CG 3.64Å; W309-E311 HydrophobicContact CZ2-CB 4.33Å; W309-E311 HydrophobicContact CZ2-CG 4.21Å; W309-E311 HydrophobicContact CZ3-CB 4.16Å; W309-E311 HydrophobicContact CZ3-CG 4.26Å; E311-V396 HydrophobicContact CG-CG2 3.96Å; E311-K398 HydrophobicContact CG-CD 3.38Å; E311-K398 PolarHBondContact O-NZ 3.39Å; E311-K398 WeakPolarHBondContact OE1-CE 3.34Å; E311-K398 IonicContact OE1-NZ 2.71Å; E311-K398 PolarHBondContact OE1-NZ 3.21Å
312T84.2Confident77.1Confident116 Ų11659.6 Ų59.671%0.71234%0.34SS*.THydrogen-bonded Turntrans-96.2-11.5-179.160.10000113.1N310N310-T312 PolarHBondContact O-N 3.44Å; N310-T312 PolarHBondContact OD1-N 2.86Å; N310-T312 PolarHBondContact OD1-OG1 3.45Å
313N76.7Confident76.9Confident70 Ų7061.9 Ų61.937%0.37435%0.35SS..BIsolated β-bridgetrans-129.286.1177.9-168.57.4000110.3N310 S315N310-N313 HydrophobicContact CB-CB 4.21Å; N310-N313 CarbonylContact O-C 3.6Å; N310-N313 PolarHBondContact O-N 3.17Å; N313-S315 PolarHBondContact O-N 2.83Å; N313-S315 VanDerWaalsContact O-N 3.08Å; N313-S315 PolarHBondContact OD1-N 3.14Å
314P57.1Low76.8Confident56 Ų5662.2 Ų62.236%0.36435%0.351SS..THydrogen-bonded Turntrans-64.7-11.2-179.5-18.431.2000114.1S401P314-S401 WeakPolarHBondContact CB-OG 3.47Å
315S55.1Low76.6Confident81 Ų8165.6 Ų65.657%0.56637%0.367SS*.THydrogen-bonded Turntrans-135.447.2-158.3-44.50000111.5N313 M317N313-S315 PolarHBondContact O-N 2.83Å; N313-S315 VanDerWaalsContact O-N 3.08Å; N313-S315 PolarHBondContact OD1-N 3.14Å; S315-M317 PolarHBondContact O-N 3.38Å
316S51.7Low76.6Confident37 Ų3764.4 Ų64.426%0.25936%0.36SS..  trans-72.177.1155.9-87.90000107.5E307 V318E307-S316 PolarHBondContact OE1-OG 2.98Å; E307-S316 WeakPolarHBondContact OE2-CB 3.28Å; S316-V318 PolarHBondContact O-N 3Å
317M50Low76.5Confident157 Ų15766.6 Ų66.677%0.77337%0.374SS*.  trans-7072.3157.5-73.9-165.380.400106.8S315 S319S315-M317 PolarHBondContact O-N 3.38Å; M317-S319 PolarHBondContact O-N 3.11Å
318V51.5Low76.6Confident57 Ų5764 Ų6435%0.34536%0.362SS..  trans-70133.7176-160.40000107.5E307 S316 D320E307-V318 WeakPolarHBondContact OE2-CG2 3.46Å; S316-V318 PolarHBondContact O-N 3Å; V318-D320 HydrophobicContact CB-CB 4.26Å; V318-D320 HydrophobicContact CG1-CB 3.54Å; V318-D320 VanDerWaalsContact CG1-OD2 3.29Å; V318-D320 WeakPolarHBondContact CG1-OD2 3.26Å; V318-D320 PolarHBondContact O-N 3.15Å
319S54.7Low76.3Confident124 Ų12467.3 Ų67.387%0.86738%0.375SS*.  trans-70.30.3171.6660000112.9M317M317-S319 PolarHBondContact O-N 3.11Å
320D62.8Low75.4Confident102 Ų10276.6 Ų76.655%0.54542%0.419SS..SBendtrans-72.8150.4-173.6-74-8000111.8V318 K322V318-D320 HydrophobicContact CB-CB 4.26Å; V318-D320 HydrophobicContact CG1-CB 3.54Å; V318-D320 VanDerWaalsContact CG1-OD2 3.29Å; V318-D320 WeakPolarHBondContact CG1-OD2 3.26Å; V318-D320 PolarHBondContact O-N 3.15Å; D320-K322 PolarHBondContact O-N 2.82Å
321P70.5Confident74.7Confident61 Ų6177.4 Ų77.440%0.39643%0.431SS..  trans-61124.8177.525.5-33.8000109.7V305 F323 L324V305-P321 VanDerWaalsContact CB-O 3.26Å; V305-P321 WeakPolarHBondContact CB-O 3.23Å; P321-F323 PolarHBondContact O-N 3.1Å; P321-L324 HydrophobicContact CB-CD2 4.08Å; P321-L324 HydrophobicContact CG-CD2 3.92Å
322K84.5Confident74.1Confident72 Ų7277.3 Ų77.331%0.31343%0.428SS..SBendtrans-71.7-19179.4-58.7179.6-172.31720112.6V305 D320 N408 W409V305-K322 PolarHBondContact N-O 3.39Å; V305-K322 VanDerWaalsContact N-O 3.12Å; V305-K322 VanDerWaalsContact O-O 3.13Å; D320-K322 PolarHBondContact O-N 2.82Å; K322-N408 HydrophobicContact CD-CB 4.09Å; K322-N408 WeakPolarHBondContact CD-O 3.42Å; K322-N408 WeakPolarHBondContact CE-O 3.44Å; K322-N408 PolarHBondContact NZ-O 2.82Å; K322-N408 PolarHBondContact NZ-OD1 2.85Å; K322-W409 PolarHBondContact O-NE1 2.96Å
323F92.9Very high73.7Confident47 Ų4779.6 Ų79.621%0.20643%0.428CS..EExtended strand (participates in β ladder)trans-157.9159.2174.559.1-92.1000109I302 G303 P321 E325 F411 P412 I415I302-F323 HydrophobicContact CG2-CB 3.82Å; I302-F323 HydrophobicContact CG2-CD2 4.11Å; I302-F323 HydrophobicContact CG2-CG 4.24Å; G303-F323 CarbonylContact O-C 3.5Å; G303-F323 VanDerWaalsContact O-CA 3.25Å; G303-F323 WeakPolarHBondContact O-CA 3.21Å; P321-F323 PolarHBondContact O-N 3.1Å; F323-E325 HydrophobicContact CD2-CG 3.95Å; F323-E325 HydrophobicContact CE2-CG 3.79Å; F323-E325 WeakPolarHBondContact CE2-OE1 3.26Å; F323-F411 HydrophobicContact CB-CD1 4.33Å; F323-F411 HydrophobicContact CB-CE1 3.97Å; F323-F411 AromaticContact CD1-CD1 4Å; F323-F411 HydrophobicContact CD1-CD1 4Å; F323-F411 HydrophobicContact CD1-CE1 4.23Å; F323-F411 HydrophobicContact CG-CD1 4.24Å; F323-F411 HydrophobicContact CG-CE1 4.35Å; F323-P412 HydrophobicContact CZ-CG 4.05Å; F323-I415 HydrophobicContact CD2-CD1 4.43Å; F323-I415 HydrophobicContact CE2-CD1 3.76Å; F323-I415 HydrophobicContact CZ-CD1 4.16Å
324L92.6Very high73.4Confident7 Ų779.3 Ų79.34%0.03743%0.426CS..EExtended strand (participates in β ladder)trans-114135.6173.4-60.3176.3000108.7I302 G303 V305 P321 F326 F328 I343 R357I302-L324 CarbonylContact C-O 3.56Å; I302-L324 WeakPolarHBondContact CA-O 3.38Å; G303-L324 PolarHBondContact N-O 3.19Å; G303-L324 PolarHBondContact O-N 3.17Å; V305-L324 HydrophobicContact CG2-CD1 4.47Å; V305-L324 HydrophobicContact CG2-CG 4.1Å; P321-L324 HydrophobicContact CB-CD2 4.08Å; P321-L324 HydrophobicContact CG-CD2 3.92Å; L324-F326 HydrophobicContact CB-CE2 3.82Å; L324-F326 HydrophobicContact CB-CZ 3.93Å; L324-F326 HydrophobicContact CD1-CZ 4.05Å; L324-F328 HydrophobicContact CB-CE1 4.24Å; L324-F328 HydrophobicContact CD1-CZ 4.48Å; L324-F328 HydrophobicContact CD2-CE1 4.44Å; L324-I343 HydrophobicContact CD1-CG2 4.12Å; L324-R357 HydrophobicContact CD1-CG 3.76Å
325E93Very high74.1Confident72 Ų7283.8 Ų83.834%0.33645%0.447SS..EExtended strand (participates in β ladder)trans-99.4126.9173.4-61.1-169.9-144.600109.8I302 F323 F328 I415I302-E325 HydrophobicContact CG1-CG 4.44Å; F323-E325 HydrophobicContact CD2-CG 3.95Å; F323-E325 HydrophobicContact CE2-CG 3.79Å; F323-E325 WeakPolarHBondContact CE2-OE1 3.26Å; E325-F328 WeakPolarHBondContact O-CD1 3.43Å; E325-I415 HydrophobicContact CG-CD1 4.31Å
326F93.2Very high75.3Confident0 Ų082 Ų820%043%0.432CS..SBendtrans-112.3148.1176.1-59.6-79.3000110.7G301 L324 F328 I343 R357 I360 H364 L375 K420G301-F326 WeakPolarHBondContact O-CA 3.49Å; G301-F326 WeakPolarHBondContact O-CB 3.37Å; G301-F326 WeakPolarHBondContact O-CD2 3.49Å; G301-F326 PolarHBondContact O-N 2.99Å; L324-F326 HydrophobicContact CB-CE2 3.82Å; L324-F326 HydrophobicContact CB-CZ 3.93Å; L324-F326 HydrophobicContact CD1-CZ 4.05Å; F326-F328 HydrophobicContact CD1-CD1 4.46Å; F326-F328 HydrophobicContact CD1-CE1 4.17Å; F326-F328 HydrophobicContact CD1-CE2 4.41Å; F326-F328 HydrophobicContact CD1-CZ 4.16Å; F326-F328 AromaticContact CE1-CE1 3.87Å; F326-F328 HydrophobicContact CE1-CE1 3.87Å; F326-F328 AromaticContact CE1-CE2 3.88Å; F326-F328 HydrophobicContact CE1-CE2 3.88Å; F326-F328 AromaticContact CE1-CZ 3.49Å; F326-F328 HydrophobicContact CE1-CZ 3.49Å; F326-F328 VanDerWaalsContact CE1-CZ 3.49Å; F326-F328 HydrophobicContact CZ-CE1 4.43Å; F326-F328 HydrophobicContact CZ-CZ 4.11Å; F326-I343 HydrophobicContact CZ-CG1 4.45Å; F326-R357 HydrophobicContact CE1-CB 4.12Å; F326-R357 VanDerWaalsContact CE1-O 3.27Å; F326-R357 WeakPolarHBondContact CE1-O 3.35Å; F326-R357 HydrophobicContact CZ-CB 4.33Å; F326-R357 HydrophobicContact CZ-CG 4.41Å; F326-I360 HydrophobicContact CB-CG2 4.5Å; F326-I360 HydrophobicContact CD1-CB 4.28Å; F326-I360 HydrophobicContact CD1-CG2 3.95Å; F326-I360 HydrophobicContact CD2-CG2 4.01Å; F326-I360 HydrophobicContact CE1-CB 4.12Å; F326-I360 HydrophobicContact CE1-CG2 4.12Å; F326-I360 HydrophobicContact CE2-CG2 4.18Å; F326-I360 HydrophobicContact CG-CG2 3.89Å; F326-I360 HydrophobicContact CZ-CB 4.4Å; F326-I360 HydrophobicContact CZ-CG2 4.23Å; F326-H364 WeakPolarHBondContact CB-CD2 3.31Å; F326-L375 HydrophobicContact CD2-CD1 4.34Å; F326-L375 HydrophobicContact CD2-CD2 3.95Å; F326-L375 HydrophobicContact CE2-CD2 3.91Å; F326-K420 WeakPolarHBondContact O-CD 3.35Å; F326-K420 PolarHBondContact O-NZ 3.33Å
327P92.3Very high76.8Confident46 Ų4688.4 Ų88.430%0.29946%0.459SS..SBendcis-64.3154.2-12.932.9-34000110.1H364 I365P327-H364 HydrophobicContact CB-CB 3.93Å; P327-H364 HydrophobicContact CG-CB 4.26Å; P327-I365 HydrophobicContact CB-CD1 4.28Å; P327-I365 HydrophobicContact CB-CG1 3.63Å; P327-I365 HydrophobicContact CG-CG1 4.3Å
328F89.6Confident78.4Confident18 Ų1886.1 Ų86.18%0.07945%0.446CS..PPolyproline II helixtrans-62.5140.5172.7-66.5-43.7000109.9L324 E325 F326 Y332 L334 R357 S361L324-F328 HydrophobicContact CB-CE1 4.24Å; L324-F328 HydrophobicContact CD1-CZ 4.48Å; L324-F328 HydrophobicContact CD2-CE1 4.44Å; E325-F328 WeakPolarHBondContact O-CD1 3.43Å; F326-F328 HydrophobicContact CD1-CD1 4.46Å; F326-F328 HydrophobicContact CD1-CE1 4.17Å; F326-F328 HydrophobicContact CD1-CE2 4.41Å; F326-F328 HydrophobicContact CD1-CZ 4.16Å; F326-F328 AromaticContact CE1-CE1 3.87Å; F326-F328 HydrophobicContact CE1-CE1 3.87Å; F326-F328 AromaticContact CE1-CE2 3.88Å; F326-F328 HydrophobicContact CE1-CE2 3.88Å; F326-F328 AromaticContact CE1-CZ 3.49Å; F326-F328 HydrophobicContact CE1-CZ 3.49Å; F326-F328 VanDerWaalsContact CE1-CZ 3.49Å; F326-F328 HydrophobicContact CZ-CE1 4.43Å; F326-F328 HydrophobicContact CZ-CZ 4.11Å; F328-Y332 HydrophobicContact CB-CD1 3.97Å; F328-Y332 HydrophobicContact CB-CD2 4.38Å; F328-Y332 HydrophobicContact CB-CG 3.79Å; F328-Y332 HydrophobicContact CD1-CD1 4.33Å; F328-Y332 HydrophobicContact CD1-CD2 4.13Å; F328-Y332 HydrophobicContact CD1-CE1 4.3Å; F328-Y332 HydrophobicContact CD1-CE2 4.12Å; F328-Y332 HydrophobicContact CD1-CG 4.24Å; F328-Y332 AromaticContact CD2-CD1 3.73Å; F328-Y332 HydrophobicContact CD2-CD1 3.73Å; F328-Y332 AromaticContact CD2-CE1 3.76Å; F328-Y332 HydrophobicContact CD2-CE1 3.76Å; F328-Y332 HydrophobicContact CD2-CG 4.33Å; F328-Y332 HydrophobicContact CE1-CE1 4.34Å; F328-Y332 HydrophobicContact CE1-CE2 4.22Å; F328-Y332 HydrophobicContact CE2-CD1 4.24Å; F328-Y332 AromaticContact CE2-CE1 3.78Å; F328-Y332 HydrophobicContact CE2-CE1 3.78Å; F328-Y332 AromaticContact CG-CD1 3.78Å; F328-Y332 HydrophobicContact CG-CD1 3.78Å; F328-Y332 HydrophobicContact CG-CD2 4.27Å; F328-Y332 HydrophobicContact CG-CE1 4.03Å; F328-Y332 AromaticContact CG-CG 3.9Å; F328-Y332 HydrophobicContact CG-CG 3.9Å; F328-Y332 HydrophobicContact CZ-CE1 4.08Å; F328-L334 HydrophobicContact CB-CD2 4.46Å; F328-R357 HydrophobicContact CE2-CB 3.71Å; F328-R357 HydrophobicContact CZ-CB 3.79Å; F328-R357 HydrophobicContact CZ-CG 4.37Å; F328-S361 PolarHBondContact N-OG 3.1Å
329E84.5Confident80Confident142 Ų14283.4 Ų83.466%0.66443%0.43SS*.PPolyproline II helixtrans-62.2157.2174.8-64.2-174.617300111.2S331 Y332E329-S331 PolarHBondContact O-N 3.22Å; E329-S331 VanDerWaalsContact O-N 3.11Å; E329-S331 PolarHBondContact OE2-OG 3.16Å; E329-Y332 WeakPolarHBondContact O-CB 3.44Å; E329-Y332 PolarHBondContact O-N 2.95Å
330E74Confident81.7Confident198 Ų19884.2 Ų84.293%0.92542%0.415SS*.THydrogen-bonded Turntrans-58.3-25.7175.1-67.9-178.6174.200113Y332E330-Y332 PolarHBondContact O-N 3.31Å
331S74.1Confident83.1Confident96 Ų9682.8 Ų82.867%0.67141%0.407SS*.THydrogen-bonded Turntrans-68.4-18.5175.166.40000113E329E329-S331 PolarHBondContact O-N 3.22Å; E329-S331 VanDerWaalsContact O-N 3.11Å; E329-S331 PolarHBondContact OE2-OG 3.16Å
332Y72.1Confident84.3Confident65 Ų6581.2 Ų81.226%0.25540%0.396SS..SBendtrans-71.6129.2177.2-154.6-93.9000109.4F328 E329 E330 L334 C339F328-Y332 HydrophobicContact CB-CD1 3.97Å; F328-Y332 HydrophobicContact CB-CD2 4.38Å; F328-Y332 HydrophobicContact CB-CG 3.79Å; F328-Y332 HydrophobicContact CD1-CD1 4.33Å; F328-Y332 HydrophobicContact CD1-CD2 4.13Å; F328-Y332 HydrophobicContact CD1-CE1 4.3Å; F328-Y332 HydrophobicContact CD1-CE2 4.12Å; F328-Y332 HydrophobicContact CD1-CG 4.24Å; F328-Y332 AromaticContact CD2-CD1 3.73Å; F328-Y332 HydrophobicContact CD2-CD1 3.73Å; F328-Y332 AromaticContact CD2-CE1 3.76Å; F328-Y332 HydrophobicContact CD2-CE1 3.76Å; F328-Y332 HydrophobicContact CD2-CG 4.33Å; F328-Y332 HydrophobicContact CE1-CE1 4.34Å; F328-Y332 HydrophobicContact CE1-CE2 4.22Å; F328-Y332 HydrophobicContact CE2-CD1 4.24Å; F328-Y332 AromaticContact CE2-CE1 3.78Å; F328-Y332 HydrophobicContact CE2-CE1 3.78Å; F328-Y332 AromaticContact CG-CD1 3.78Å; F328-Y332 HydrophobicContact CG-CD1 3.78Å; F328-Y332 HydrophobicContact CG-CD2 4.27Å; F328-Y332 HydrophobicContact CG-CE1 4.03Å; F328-Y332 AromaticContact CG-CG 3.9Å; F328-Y332 HydrophobicContact CG-CG 3.9Å; F328-Y332 HydrophobicContact CZ-CE1 4.08Å; E329-Y332 WeakPolarHBondContact O-CB 3.44Å; E329-Y332 PolarHBondContact O-N 2.95Å; E330-Y332 PolarHBondContact O-N 3.31Å; Y332-L334 PolarHBondContact O-N 2.78Å; Y332-C339 VanDerWaalsContact CE1-SG 3.57Å
333K74.5Confident84.9Confident163 Ų16377.8 Ų77.871%0.70938%0.381SS*.  trans-7389.5-178.9-65.7-178.6179.9178.50110D335 T336 C339K333-D335 PolarHBondContact O-N 2.74Å; K333-D335 VanDerWaalsContact O-N 3.12Å; K333-T336 HydrophobicContact CB-CG2 3.53Å; K333-T336 HydrophobicContact CD-CG2 4.24Å; K333-T336 WeakPolarHBondContact O-CG2 3.49Å; K333-T336 PolarHBondContact O-N 2.94Å; K333-T336 PolarHBondContact O-OG1 2.94Å; K333-C339 PolarHBondContact O-SG 3.46Å
334L71.8Confident84.9Confident64 Ų6476.3 Ų76.334%0.33538%0.375SS..THydrogen-bonded Turntrans-60.9-21.5-174.4-59.4174.6000114.1F328 Y332 M358F328-L334 HydrophobicContact CB-CD2 4.46Å; Y332-L334 PolarHBondContact O-N 2.78Å; L334-M358 HydrophobicContact CB-CE 4.42Å; L334-M358 HydrophobicContact CB-SD 4.47Å; L334-M358 HydrophobicContact CD1-CE 4.28Å; L334-M358 HydrophobicContact CD2-CE 4Å; L334-M358 HydrophobicContact CD2-SD 3.74Å; L334-M358 HydrophobicContact CG-CE 4.46Å
335D70.5Confident84.8Confident151 Ų15183.7 Ų83.781%0.80741%0.409SS*.THydrogen-bonded Turntrans-92.59.7-178.7-63.2-29.4000114K333K333-D335 PolarHBondContact O-N 2.74Å; K333-D335 VanDerWaalsContact O-N 3.12Å
336T80.9Confident84.8Confident42 Ų4283.3 Ų83.326%0.25843%0.425SS..SBendtrans-78.8149.8176.659.70000111.9K333 E338 C339 Y340K333-T336 HydrophobicContact CB-CG2 3.53Å; K333-T336 HydrophobicContact CD-CG2 4.24Å; K333-T336 WeakPolarHBondContact O-CG2 3.49Å; K333-T336 PolarHBondContact O-N 2.94Å; K333-T336 PolarHBondContact O-OG1 2.94Å; T336-E338 PolarHBondContact O-N 3.45Å; T336-E338 VanDerWaalsContact O-N 3.12Å; T336-C339 WeakPolarHBondContact O-CB 3.47Å; T336-C339 PolarHBondContact O-N 2.84Å; T336-C339 PolarHBondContact OG1-SG 3.28Å; T336-C339 VanDerWaalsContact OG1-SG 3.39Å; T336-Y340 WeakPolarHBondContact O-CD2 3.29Å
337E83.8Confident84.9Confident173 Ų17383.6 Ų83.681%0.80843%0.427SS*.G310 helixtrans-54.8-30.6172.1-68.3-172.3170.100112.1C339 Y340E337-C339 VanDerWaalsContact C-N 3.25Å; E337-C339 PolarHBondContact O-N 3.17Å; E337-Y340 PolarHBondContact O-N 2.88Å; E337-Y340 VanDerWaalsContact O-N 3.07Å
338E82.6Confident85.1Confident109 Ų10984.5 Ų84.551%0.50943%0.429SS..G310 helixtrans-60-31.5176.9-65.8-177.7-178.600113.7T336 Y340 L341 R357T336-E338 PolarHBondContact O-N 3.45Å; T336-E338 VanDerWaalsContact O-N 3.12Å; E338-Y340 PolarHBondContact O-N 3.31Å; E338-L341 HydrophobicContact CB-CD1 4.45Å; E338-L341 HydrophobicContact CG-CD1 4.47Å; E338-L341 WeakPolarHBondContact O-CB 3.5Å; E338-L341 PolarHBondContact O-N 3Å; E338-R357 WeakPolarHBondContact O-CD 3.5Å
339C84.9Confident85.5Confident0 Ų084 Ų840%043%0.427CS..G310 helixtrans-66-25.7177.8-71.10000112.2Y332 K333 T336 E337 M358Y332-C339 VanDerWaalsContact CE1-SG 3.57Å; K333-C339 PolarHBondContact O-SG 3.46Å; T336-C339 WeakPolarHBondContact O-CB 3.47Å; T336-C339 PolarHBondContact O-N 2.84Å; T336-C339 PolarHBondContact OG1-SG 3.28Å; T336-C339 VanDerWaalsContact OG1-SG 3.39Å; E337-C339 VanDerWaalsContact C-N 3.25Å; E337-C339 PolarHBondContact O-N 3.17Å; C339-M358 HydrophobicContact CB-CB 4.1Å; C339-M358 WeakPolarHBondContact O-CB 3.29Å; C339-M358 PolarHBondContact O-N 2.83Å
340Y90.7Very high86.2Confident141 Ų14182.2 Ų82.255%0.55342%0.418SS*.G310 helixtrans-92.5-0.1179.5-57.6-82.8000113T336 E337 E338 T356T336-Y340 WeakPolarHBondContact O-CD2 3.29Å; E337-Y340 PolarHBondContact O-N 2.88Å; E337-Y340 VanDerWaalsContact O-N 3.07Å; E338-Y340 PolarHBondContact O-N 3.31Å; Y340-T356 WeakPolarHBondContact O-CG2 3.44Å
341L92.5Very high87.3Confident72 Ų7272.8 Ų72.838%0.37737%0.374SS..SBendtrans-76.3158170.9-62.3178.3000111.1E338 T356 R357E338-L341 HydrophobicContact CB-CD1 4.45Å; E338-L341 HydrophobicContact CG-CD1 4.47Å; E338-L341 WeakPolarHBondContact O-CB 3.5Å; E338-L341 PolarHBondContact O-N 3Å; L341-T356 CarbonylContact O-C 3.55Å; L341-T356 WeakPolarHBondContact O-CA 3.33Å; L341-R357 WeakPolarHBondContact O-CG 3.19Å; L341-R357 PolarHBondContact O-N 3.48Å
342P96.1Very high88.5Confident28 Ų2868.8 Ų68.818%0.18235%0.346CS..  trans-64.3169.8166.429.8-36.8000111.2Q344 C352 R357P342-Q344 PolarHBondContact O-N 3.44Å; P342-C352 HydrophobicContact CB-CB 3.83Å; P342-C352 WeakPolarHBondContact CB-O 3.37Å; P342-R357 PolarHBondContact O-NE 3.39Å
343I95.8Very high89.7Confident0 Ų070.9 Ų70.90%036%0.361CS..SBendtrans-51-50.8175.5-59.3171.2000109.9V305 L324 F326 T351 R357 I360 L375 H378V305-I343 HydrophobicContact CG2-CG2 4.47Å; L324-I343 HydrophobicContact CD1-CG2 4.12Å; F326-I343 HydrophobicContact CZ-CG1 4.45Å; I343-T351 HydrophobicContact CD1-CG2 3.86Å; I343-R357 PolarHBondContact O-NE 3.25Å; I343-R357 PolarHBondContact O-NH2 3.31Å; I343-I360 HydrophobicContact CD1-CD1 3.6Å; I343-I360 HydrophobicContact CG1-CD1 3.58Å; I343-L375 HydrophobicContact CD1-CD2 3.94Å; I343-H378 HydrophobicContact CD1-CB 3.89Å; I343-H378 WeakPolarHBondContact CG2-NE2 3.44Å
344Q94.1Very high90.8Very high16 Ų1668.8 Ų68.88%0.07535%0.353CS..SBendtrans-130.5127.3178.9179.2176.4-40.800110.7V305 Y306 P342 C347V305-Q344 HydrophobicContact CG1-CG 4.29Å; Y306-Q344 PolarHBondContact O-NE2 3.2Å; Y306-Q344 PolarHBondContact O-OE1 2.62Å; P342-Q344 PolarHBondContact O-N 3.44Å; Q344-C347 HydrophobicContact CB-CB 4.05Å; Q344-C347 HydrophobicContact CG-CB 4.29Å; Q344-C347 WeakPolarHBondContact O-CB 3.09Å; Q344-C347 PolarHBondContact O-N 3.22Å
345H90.3Very high92Very high161 Ų16167.7 Ų67.775%0.74535%0.346SS*.THydrogen-bonded Turntrans-61.7136.8175.2-173.6-89.3000111.1C347H345-C347 PolarHBondContact O-N 2.98Å
346G91.9Very high93.2Very high65 Ų6562.4 Ų62.467%0.6732%0.32SS*.THydrogen-bonded Turntrans73.60.3-179.400000115.5
347C96Very high93.9Very high6 Ų661.6 Ų61.64%0.04131%0.312CS..  trans-72.3129.7171.41770000110.5Q344 H345 C349 C352 Q382Q344-C347 HydrophobicContact CB-CB 4.05Å; Q344-C347 HydrophobicContact CG-CB 4.29Å; Q344-C347 WeakPolarHBondContact O-CB 3.09Å; Q344-C347 PolarHBondContact O-N 3.22Å; H345-C347 PolarHBondContact O-N 2.98Å; C347-C349 PolarHBondContact SG-N 3.45Å; C347-C349 VanDerWaalsContact SG-N 3.41Å; C347-C349 PolarHBondContact SG-SG 3.2Å; C347-C352 HydrophobicContact CB-CB 3.73Å; C347-C352 VanDerWaalsContact O-CB 3.32Å; C347-C352 WeakPolarHBondContact O-CB 3.33Å; C347-Q382 PolarHBondContact SG-NE2 3.27Å
348N96.7Very high94.4Very high64 Ų6455.6 Ų55.634%0.34228%0.284SS..  trans-9611.8179.965.5-27.1000113.4E56 L353 H381E56-N348 VanDerWaalsContact CD-ND2 3.32Å; E56-N348 PolarHBondContact OE1-ND2 3.4Å; E56-N348 PolarHBondContact OE2-ND2 2.87Å; N348-L353 VanDerWaalsContact O-CD1 3.25Å; N348-L353 WeakPolarHBondContact O-CD1 3.35Å; N348-H381 PolarHBondContact OD1-CE1 2.94Å; N348-H381 PolarHBondContact OD1-NE2 3.49Å
349C98.2Very high95Very high7 Ų754.6 Ų54.65%0.04728%0.276CS..SBendtrans-68.415517484.30000110.4C347 T351 C352 L353 H381C347-C349 PolarHBondContact SG-N 3.45Å; C347-C349 VanDerWaalsContact SG-N 3.41Å; C347-C349 PolarHBondContact SG-SG 3.2Å; C349-T351 PolarHBondContact O-N 2.92Å; C349-T351 VanDerWaalsContact O-N 3.15Å; C349-C352 PolarHBondContact O-N 2.69Å; C349-C352 VanDerWaalsContact O-N 3.1Å; C349-C352 PolarHBondContact SG-N 3.32Å; C349-C352 VanDerWaalsContact SG-N 3.39Å; C349-L353 WeakPolarHBondContact O-CG 3.17Å; C349-L353 PolarHBondContact O-N 3.11Å; C349-H381 HydrophobicContact CB-CB 3.9Å
350F98.2Very high95.6Very high106 Ų10654.6 Ų54.647%0.46528%0.276SS..Hα-helixtrans-49.6-44.7179.8177.8-90.2000112.5C352 L353 H354 H355 L374 I377F350-C352 PolarHBondContact O-N 2.74Å; F350-L353 PolarHBondContact O-N 2.77Å; F350-H354 AromaticContact CD2-CD2 3.44Å; F350-H354 VanDerWaalsContact CD2-CD2 3.44Å; F350-H354 WeakPolarHBondContact CD2-CD2 3.29Å; F350-H354 AromaticContact CD2-NE2 3.85Å; F350-H354 AromaticContact CE2-CD2 3.44Å; F350-H354 VanDerWaalsContact CE2-CD2 3.44Å; F350-H354 WeakPolarHBondContact CE2-CD2 3.48Å; F350-H354 AromaticContact CE2-NE2 3.86Å; F350-H354 AromaticContact CG-CD2 3.93Å; F350-H354 AromaticContact CZ-CD2 3.92Å; F350-H354 PolarHBondContact O-CD2 2.93Å; F350-H354 PolarHBondContact O-N 3.46Å; F350-H355 AromaticContact CE1-NE2 3.81Å; F350-L374 HydrophobicContact CD1-CD2 4.22Å; F350-L374 HydrophobicContact CE1-CD2 4.18Å; F350-I377 HydrophobicContact CB-CG2 4.16Å; F350-I377 HydrophobicContact CD1-CD1 4.3Å
351T98.4Very high95.7Very high0 Ų047.9 Ų47.90%025%0.25CC..Hα-helixtrans-59.9-49.5179.9-54.40000112.3I343 C349 L353 H354 H355 I360 L374I343-T351 HydrophobicContact CD1-CG2 3.86Å; C349-T351 PolarHBondContact O-N 2.92Å; C349-T351 VanDerWaalsContact O-N 3.15Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 2.98Å; T351-H354 PolarHBondContact O-N 2.85Å; T351-H355 WeakPolarHBondContact O-CA 3.33Å; T351-H355 WeakPolarHBondContact O-CB 3.45Å; T351-H355 PolarHBondContact O-N 2.88Å; T351-I360 HydrophobicContact CG2-CD1 3.73Å; T351-L374 HydrophobicContact CG2-CB 3.82Å; T351-L374 HydrophobicContact CG2-CD2 4.35Å; T351-L374 WeakPolarHBondContact OG1-CA 3.39Å; T351-L374 PolarHBondContact OG1-O 3.22Å
352C97.9Very high95.8Very high12 Ų1249.2 Ų49.28%0.08125%0.254CS..Hα-helixtrans-72.7-23.6-178.2-72.70000113.4P342 C347 C349 F350 H378P342-C352 HydrophobicContact CB-CB 3.83Å; P342-C352 WeakPolarHBondContact CB-O 3.37Å; C347-C352 HydrophobicContact CB-CB 3.73Å; C347-C352 VanDerWaalsContact O-CB 3.32Å; C347-C352 WeakPolarHBondContact O-CB 3.33Å; C349-C352 PolarHBondContact O-N 2.69Å; C349-C352 VanDerWaalsContact O-N 3.1Å; C349-C352 PolarHBondContact SG-N 3.32Å; C349-C352 VanDerWaalsContact SG-N 3.39Å; F350-C352 PolarHBondContact O-N 2.74Å; C352-H378 PolarHBondContact SG-ND1 3.37Å; C352-H378 VanDerWaalsContact SG-ND1 3.35Å
353L97.8Very high95.7Very high109 Ų10948.3 Ų48.357%0.57125%0.248SC*.Hα-helixtrans-78.1-23.4176-69.8177.5000113.5N348 C349 F350 T351N348-L353 VanDerWaalsContact O-CD1 3.25Å; N348-L353 WeakPolarHBondContact O-CD1 3.35Å; C349-L353 WeakPolarHBondContact O-CG 3.17Å; C349-L353 PolarHBondContact O-N 3.11Å; F350-L353 PolarHBondContact O-N 2.77Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 2.98Å
354H97.9Very high95.6Very high119 Ų11949.2 Ų49.255%0.55125%0.252SS*.Hα-helixtrans-124.9-17.2-168.9-62.4-58000115.1F350 T351F350-H354 AromaticContact CD2-CD2 3.44Å; F350-H354 VanDerWaalsContact CD2-CD2 3.44Å; F350-H354 WeakPolarHBondContact CD2-CD2 3.29Å; F350-H354 AromaticContact CD2-NE2 3.85Å; F350-H354 AromaticContact CE2-CD2 3.44Å; F350-H354 VanDerWaalsContact CE2-CD2 3.44Å; F350-H354 WeakPolarHBondContact CE2-CD2 3.48Å; F350-H354 AromaticContact CE2-NE2 3.86Å; F350-H354 AromaticContact CG-CD2 3.93Å; F350-H354 AromaticContact CZ-CD2 3.92Å; F350-H354 PolarHBondContact O-CD2 2.93Å; F350-H354 PolarHBondContact O-N 3.46Å; T351-H354 PolarHBondContact O-N 2.85Å
355H97.8Very high95.4Very high40 Ų4053.3 Ų53.319%0.18527%0.273CS..  trans-132.3150.8-171.1-59-60.9000112.5F350 T351 Y359 L374F350-H355 AromaticContact CE1-NE2 3.81Å; T351-H355 WeakPolarHBondContact O-CA 3.33Å; T351-H355 WeakPolarHBondContact O-CB 3.45Å; T351-H355 PolarHBondContact O-N 2.88Å; H355-Y359 HydrophobicContact CB-CD1 3.95Å; H355-Y359 AromaticContact CE1-CE1 3.73Å; H355-Y359 AromaticContact CG-CD1 3.83Å; H355-Y359 AromaticContact ND1-CD1 3.38Å; H355-Y359 WeakPolarHBondContact ND1-CD1 3.31Å; H355-Y359 AromaticContact ND1-CE1 3.31Å; H355-Y359 VanDerWaalsContact ND1-CE1 3.31Å; H355-Y359 WeakPolarHBondContact ND1-CE1 3.23Å; H355-L374 HydrophobicContact CB-CD1 4.46Å
356T95.6Very high95.5Very high41 Ų4147.9 Ų47.925%0.25226%0.256SS..  trans-100.8162.1178.667.50000111Y340 L341 M358 Y359 I360Y340-T356 WeakPolarHBondContact O-CG2 3.44Å; L341-T356 CarbonylContact O-C 3.55Å; L341-T356 WeakPolarHBondContact O-CA 3.33Å; T356-M358 VanDerWaalsContact C-N 3.29Å; T356-M358 PolarHBondContact O-N 2.97Å; T356-Y359 PolarHBondContact O-N 3.41Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.32Å; T356-Y359 PolarHBondContact OG1-N 3.48Å; T356-I360 WeakPolarHBondContact O-CG1 3.4Å; T356-I360 PolarHBondContact O-N 3.35Å; T356-I360 VanDerWaalsContact O-N 3.15Å
357R95.2Very high95.5Very high25 Ų2549.9 Ų49.99%0.09425%0.248CC..Hα-helixtrans-56.3-44.1172.7-66.6166.4-176.4-170.9-6111.4L324 F326 F328 E338 L341 P342 I343 Y359 I360 S361L324-R357 HydrophobicContact CD1-CG 3.76Å; F326-R357 HydrophobicContact CE1-CB 4.12Å; F326-R357 VanDerWaalsContact CE1-O 3.27Å; F326-R357 WeakPolarHBondContact CE1-O 3.35Å; F326-R357 HydrophobicContact CZ-CB 4.33Å; F326-R357 HydrophobicContact CZ-CG 4.41Å; F328-R357 HydrophobicContact CE2-CB 3.71Å; F328-R357 HydrophobicContact CZ-CB 3.79Å; F328-R357 HydrophobicContact CZ-CG 4.37Å; E338-R357 WeakPolarHBondContact O-CD 3.5Å; L341-R357 WeakPolarHBondContact O-CG 3.19Å; L341-R357 PolarHBondContact O-N 3.48Å; P342-R357 PolarHBondContact O-NE 3.39Å; I343-R357 PolarHBondContact O-NE 3.25Å; I343-R357 PolarHBondContact O-NH2 3.31Å; R357-Y359 VanDerWaalsContact C-N 3.33Å; R357-Y359 PolarHBondContact O-N 3.06Å; R357-I360 PolarHBondContact O-N 3.49Å; R357-S361 WeakPolarHBondContact O-CB 3.16Å; R357-S361 PolarHBondContact O-N 3.02Å
358M93.3Very high95.4Very high46 Ų4654.7 Ų54.723%0.22727%0.27CS..Hα-helixtrans-62.9-39.1179.2-171.354.8-166.500112.5L334 C339 T356 S361 H362L334-M358 HydrophobicContact CB-CE 4.42Å; L334-M358 HydrophobicContact CB-SD 4.47Å; L334-M358 HydrophobicContact CD1-CE 4.28Å; L334-M358 HydrophobicContact CD2-CE 4Å; L334-M358 HydrophobicContact CD2-SD 3.74Å; L334-M358 HydrophobicContact CG-CE 4.46Å; C339-M358 HydrophobicContact CB-CB 4.1Å; C339-M358 WeakPolarHBondContact O-CB 3.29Å; C339-M358 PolarHBondContact O-N 2.83Å; T356-M358 VanDerWaalsContact C-N 3.29Å; T356-M358 PolarHBondContact O-N 2.97Å; M358-S361 WeakPolarHBondContact O-CB 3.48Å; M358-S361 PolarHBondContact O-N 3.41Å; M358-H362 WeakPolarHBondContact O-CB 3.35Å; M358-H362 PolarHBondContact O-N 3.25Å
359Y96Very high95.2Very high88 Ų8855 Ų5535%0.34527%0.271SS..Hα-helixtrans-63.5-44.1176.6-179.8-112.5000111.5H355 T356 R357 S361 H362 L363 L374H355-Y359 HydrophobicContact CB-CD1 3.95Å; H355-Y359 AromaticContact CE1-CE1 3.73Å; H355-Y359 AromaticContact CG-CD1 3.83Å; H355-Y359 AromaticContact ND1-CD1 3.38Å; H355-Y359 WeakPolarHBondContact ND1-CD1 3.31Å; H355-Y359 AromaticContact ND1-CE1 3.31Å; H355-Y359 VanDerWaalsContact ND1-CE1 3.31Å; H355-Y359 WeakPolarHBondContact ND1-CE1 3.23Å; T356-Y359 PolarHBondContact O-N 3.41Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.32Å; T356-Y359 PolarHBondContact OG1-N 3.48Å; R357-Y359 VanDerWaalsContact C-N 3.33Å; R357-Y359 PolarHBondContact O-N 3.06Å; Y359-S361 VanDerWaalsContact C-N 3.34Å; Y359-S361 PolarHBondContact O-N 3.16Å; Y359-H362 WeakPolarHBondContact O-CB 3.42Å; Y359-H362 PolarHBondContact O-N 3.23Å; Y359-L363 HydrophobicContact CD1-CD1 4.01Å; Y359-L363 HydrophobicContact CD1-CG 4.47Å; Y359-L363 HydrophobicContact CE1-CD1 3.56Å; Y359-L363 HydrophobicContact CE1-CG 4.13Å; Y359-L363 HydrophobicContact CE2-CD2 4.27Å; Y359-L363 HydrophobicContact CE2-CG 4.32Å; Y359-L363 WeakPolarHBondContact O-CG 3.25Å; Y359-L363 PolarHBondContact O-N 3.02Å; Y359-L374 HydrophobicContact CD1-CD1 4.49Å; Y359-L374 HydrophobicContact CE1-CD1 4.23Å
360I96.6Very high95.2Very high0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-63.6-41.8176.4-62.3167.2000110.9F326 I343 T351 T356 R357 L363 H364 L374 L375F326-I360 HydrophobicContact CB-CG2 4.5Å; F326-I360 HydrophobicContact CD1-CB 4.28Å; F326-I360 HydrophobicContact CD1-CG2 3.95Å; F326-I360 HydrophobicContact CD2-CG2 4.01Å; F326-I360 HydrophobicContact CE1-CB 4.12Å; F326-I360 HydrophobicContact CE1-CG2 4.12Å; F326-I360 HydrophobicContact CE2-CG2 4.18Å; F326-I360 HydrophobicContact CG-CG2 3.89Å; F326-I360 HydrophobicContact CZ-CB 4.4Å; F326-I360 HydrophobicContact CZ-CG2 4.23Å; I343-I360 HydrophobicContact CD1-CD1 3.6Å; I343-I360 HydrophobicContact CG1-CD1 3.58Å; T351-I360 HydrophobicContact CG2-CD1 3.73Å; T356-I360 WeakPolarHBondContact O-CG1 3.4Å; T356-I360 PolarHBondContact O-N 3.35Å; T356-I360 VanDerWaalsContact O-N 3.15Å; R357-I360 PolarHBondContact O-N 3.49Å; I360-L363 PolarHBondContact O-N 3.01Å; I360-H364 PolarHBondContact O-N 2.71Å; I360-H364 VanDerWaalsContact O-N 3.11Å; I360-L374 HydrophobicContact CG1-CD1 4.35Å; I360-L375 HydrophobicContact CG2-CD2 4.17Å; I360-L375 HydrophobicContact CG2-CG 4.31Å
361S94.5Very high95.1Very high0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-57.8-48.4173.9-1710000111.2F328 R357 M358 Y359 L363 H364 I365F328-S361 PolarHBondContact N-OG 3.1Å; R357-S361 WeakPolarHBondContact O-CB 3.16Å; R357-S361 PolarHBondContact O-N 3.02Å; M358-S361 WeakPolarHBondContact O-CB 3.48Å; M358-S361 PolarHBondContact O-N 3.41Å; Y359-S361 VanDerWaalsContact C-N 3.34Å; Y359-S361 PolarHBondContact O-N 3.16Å; S361-L363 VanDerWaalsContact C-N 3.35Å; S361-L363 PolarHBondContact O-N 3.41Å; S361-H364 PolarHBondContact O-N 2.89Å; S361-H364 VanDerWaalsContact O-N 3.15Å; S361-I365 WeakPolarHBondContact O-CG1 3.39Å; S361-I365 PolarHBondContact O-N 3.39Å
362H92.8Very high95Very high100 Ų10052.7 Ų52.746%0.46326%0.262SS..Hα-helixtrans-58.2-44.1176.3170.568.5000112.3M358 Y359 H364 I365 A366M358-H362 WeakPolarHBondContact O-CB 3.35Å; M358-H362 PolarHBondContact O-N 3.25Å; Y359-H362 WeakPolarHBondContact O-CB 3.42Å; Y359-H362 PolarHBondContact O-N 3.23Å; H362-H364 VanDerWaalsContact C-N 3.3Å; H362-H364 PolarHBondContact O-N 3.15Å; H362-I365 WeakPolarHBondContact O-CB 3.38Å; H362-I365 PolarHBondContact O-N 3.46Å; H362-I365 VanDerWaalsContact O-N 3.14Å; H362-A366 WeakPolarHBondContact O-CB 3.39Å; H362-A366 PolarHBondContact O-N 3.41Å
363L95.3Very high94.9Very high10 Ų1055.1 Ų55.15%0.05227%0.273CS..Hα-helixtrans-60.7-38.8177.1-69.1174.8000112Y359 I360 S361 A366 Q367 E368 L370 A371 L374Y359-L363 HydrophobicContact CD1-CD1 4.01Å; Y359-L363 HydrophobicContact CD1-CG 4.47Å; Y359-L363 HydrophobicContact CE1-CD1 3.56Å; Y359-L363 HydrophobicContact CE1-CG 4.13Å; Y359-L363 HydrophobicContact CE2-CD2 4.27Å; Y359-L363 HydrophobicContact CE2-CG 4.32Å; Y359-L363 WeakPolarHBondContact O-CG 3.25Å; Y359-L363 PolarHBondContact O-N 3.02Å; I360-L363 PolarHBondContact O-N 3.01Å; S361-L363 VanDerWaalsContact C-N 3.35Å; S361-L363 PolarHBondContact O-N 3.41Å; L363-A366 CarbonylContact O-C 3.53Å; L363-A366 PolarHBondContact O-N 3.2Å; L363-Q367 PolarHBondContact O-N 3.28Å; L363-E368 HydrophobicContact CB-CB 4.23Å; L363-E368 HydrophobicContact CD2-CB 3.87Å; L363-E368 HydrophobicContact CD2-CG 4.11Å; L363-E368 PolarHBondContact O-N 3.08Å; L363-L370 HydrophobicContact CD1-CB 4.07Å; L363-L370 HydrophobicContact CD1-CD2 3.96Å; L363-L370 HydrophobicContact CD1-CG 3.87Å; L363-L370 HydrophobicContact CD2-CB 4.49Å; L363-L370 HydrophobicContact CD2-CD2 4.37Å; L363-A371 HydrophobicContact CB-CB 3.72Å; L363-L374 HydrophobicContact CD1-CD1 3.84Å
364H92.6Very high95Very high18 Ų1850 Ų508%0.08325%0.247CC..Hα-helixtrans-65.8-41173.6-89.7-70.2000112.5F326 P327 I360 S361 H362 A366 Q367 L375F326-H364 WeakPolarHBondContact CB-CD2 3.31Å; P327-H364 HydrophobicContact CB-CB 3.93Å; P327-H364 HydrophobicContact CG-CB 4.26Å; I360-H364 PolarHBondContact O-N 2.71Å; I360-H364 VanDerWaalsContact O-N 3.11Å; S361-H364 PolarHBondContact O-N 2.89Å; S361-H364 VanDerWaalsContact O-N 3.15Å; H362-H364 VanDerWaalsContact C-N 3.3Å; H362-H364 PolarHBondContact O-N 3.15Å; H364-A366 VanDerWaalsContact C-N 3.34Å; H364-Q367 PolarHBondContact O-N 3.45Å; H364-Q367 VanDerWaalsContact O-N 3.09Å; H364-L375 WeakPolarHBondContact NE2-CD1 3.5Å
365I91Very high95Very high102 Ų10244.4 Ų44.452%0.52322%0.22SC..Hα-helixtrans-61.7-44.6175.4-65.6167.1000110.5P327 S361 H362 Q367P327-I365 HydrophobicContact CB-CD1 4.28Å; P327-I365 HydrophobicContact CB-CG1 3.63Å; P327-I365 HydrophobicContact CG-CG1 4.3Å; S361-I365 WeakPolarHBondContact O-CG1 3.39Å; S361-I365 PolarHBondContact O-N 3.39Å; H362-I365 WeakPolarHBondContact O-CB 3.38Å; H362-I365 PolarHBondContact O-N 3.46Å; H362-I365 VanDerWaalsContact O-N 3.14Å; I365-Q367 PolarHBondContact O-N 3.45Å
366A91.9Very high95Very high47 Ų4742.7 Ų42.739%0.38821%0.212SC..THydrogen-bonded Turntrans-71.8-3.8176.700000113.4H362 L363 H364 E368H362-A366 WeakPolarHBondContact O-CB 3.39Å; H362-A366 PolarHBondContact O-N 3.41Å; L363-A366 CarbonylContact O-C 3.53Å; L363-A366 PolarHBondContact O-N 3.2Å; H364-A366 VanDerWaalsContact C-N 3.34Å; A366-E368 VanDerWaalsContact C-N 3.26Å; A366-E368 HydrophobicContact CB-CG 3.98Å; A366-E368 PolarHBondContact O-N 3.4Å
367Q91.4Very high95.2Very high107 Ų10741.3 Ų41.350%0.520%0.204SC..THydrogen-bonded Turntrans5835.8-177.6-55.5-178.30.200113.5L363 H364 I365 N422L363-Q367 PolarHBondContact O-N 3.28Å; H364-Q367 PolarHBondContact O-N 3.45Å; H364-Q367 VanDerWaalsContact O-N 3.09Å; I365-Q367 PolarHBondContact O-N 3.45Å; Q367-N422 PolarHBondContact O-ND2 3.19Å
368E94.3Very high95.3Very high107 Ų10740.1 Ų40.150%0.520%0.199SC..  trans-84.6130.7179.9-74.4-67.2166.600111.9L363 A366 L370 A371L363-E368 HydrophobicContact CB-CB 4.23Å; L363-E368 HydrophobicContact CD2-CB 3.87Å; L363-E368 HydrophobicContact CD2-CG 4.11Å; L363-E368 PolarHBondContact O-N 3.08Å; A366-E368 VanDerWaalsContact C-N 3.26Å; A366-E368 HydrophobicContact CB-CG 3.98Å; A366-E368 PolarHBondContact O-N 3.4Å; E368-L370 PolarHBondContact O-N 3.33Å; E368-L370 VanDerWaalsContact O-N 3.08Å; E368-A371 WeakPolarHBondContact O-CB 3.48Å; E368-A371 PolarHBondContact O-N 2.95Å
369M93.6Very high95.6Very high72 Ų7238 Ų3836%0.35519%0.188SC..THydrogen-bonded Turntrans-65.2-13.1177.6-74-57.8-6000113.4F46 A371 P372 M373 N422F46-M369 HydrophobicContact CD1-CE 4.16Å; F46-M369 HydrophobicContact CE1-CE 4.3Å; M369-A371 PolarHBondContact O-N 3.35Å; M369-P372 HydrophobicContact CE-CG 3.91Å; M369-P372 VanDerWaalsContact O-CD 3.22Å; M369-P372 WeakPolarHBondContact O-CD 3.44Å; M369-P372 VanDerWaalsContact O-CG 3.28Å; M369-P372 WeakPolarHBondContact O-CG 3.31Å; M369-P372 HydrophobicContact SD-CG 4.36Å; M369-M373 WeakPolarHBondContact O-CG 3.39Å; M369-M373 PolarHBondContact O-N 2.83Å; M369-N422 HydrophobicContact SD-CB 4.33Å
370L96.1Very high95.7Very high61 Ų6133.8 Ų33.832%0.31917%0.172SC..Hα-helixtrans-62.4-28.9171.5-174.360.3000112.4L363 E368 M373 L374L363-L370 HydrophobicContact CD1-CB 4.07Å; L363-L370 HydrophobicContact CD1-CD2 3.96Å; L363-L370 HydrophobicContact CD1-CG 3.87Å; L363-L370 HydrophobicContact CD2-CB 4.49Å; L363-L370 HydrophobicContact CD2-CD2 4.37Å; E368-L370 PolarHBondContact O-N 3.33Å; E368-L370 VanDerWaalsContact O-N 3.08Å; L370-M373 HydrophobicContact CB-CE 4.21Å; L370-M373 HydrophobicContact CD1-CE 3.9Å; L370-M373 PolarHBondContact O-N 3.26Å; L370-L374 HydrophobicContact CD1-CD1 4.5Å; L370-L374 HydrophobicContact CD1-CD2 4.43Å; L370-L374 HydrophobicContact CD1-CG 4.1Å; L370-L374 HydrophobicContact CG-CD1 4.09Å; L370-L374 HydrophobicContact CG-CG 4.16Å; L370-L374 WeakPolarHBondContact O-CG 3.46Å; L370-L374 PolarHBondContact O-N 2.97Å
371A96.5Very high95.8Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-59.6-57.8178.200000113.2L363 E368 M369 M373 L374 L375L363-A371 HydrophobicContact CB-CB 3.72Å; E368-A371 WeakPolarHBondContact O-CB 3.48Å; E368-A371 PolarHBondContact O-N 2.95Å; M369-A371 PolarHBondContact O-N 3.35Å; A371-M373 VanDerWaalsContact C-N 3.27Å; A371-M373 PolarHBondContact O-N 3.47Å; A371-L374 PolarHBondContact O-N 2.9Å; A371-L375 PolarHBondContact O-N 3.34Å
372P96.1Very high95.9Very high3 Ų334 Ų342%0.01917%0.173CC..Hα-helixtrans-64.6-28.6177.324.2-34.5000113.2F46 M369 M376 T421F46-P372 HydrophobicContact CD1-CB 4.41Å; F46-P372 HydrophobicContact CD2-CB 4.07Å; F46-P372 HydrophobicContact CE1-CB 4.37Å; F46-P372 HydrophobicContact CE2-CB 4.01Å; F46-P372 HydrophobicContact CG-CB 4.27Å; F46-P372 HydrophobicContact CZ-CB 4.17Å; M369-P372 HydrophobicContact CE-CG 3.91Å; M369-P372 VanDerWaalsContact O-CD 3.22Å; M369-P372 WeakPolarHBondContact O-CD 3.44Å; M369-P372 VanDerWaalsContact O-CG 3.28Å; M369-P372 WeakPolarHBondContact O-CG 3.31Å; M369-P372 HydrophobicContact SD-CG 4.36Å; P372-M376 VanDerWaalsContact O-CB 3.24Å; P372-M376 WeakPolarHBondContact O-CB 3.45Å; P372-M376 PolarHBondContact O-N 3.15Å; P372-T421 HydrophobicContact CB-CG2 3.94Å; P372-T421 HydrophobicContact CG-CG2 4.11Å
373M97.5Very high96.2Very high62 Ų6229.3 Ų29.331%0.30515%0.151SC..Hα-helixtrans-61.6-50.6172.9-73.6-167.8-75.500111.7F46 L47 M369 L370 A371 L375 M376 I377F46-M373 HydrophobicContact CB-CG 3.78Å; F46-M373 VanDerWaalsContact O-CG 3.27Å; F46-M373 WeakPolarHBondContact O-CG 3.26Å; F46-M373 VanDerWaalsContact O-SD 3.4Å; L47-M373 HydrophobicContact CD2-CB 4.32Å; M369-M373 WeakPolarHBondContact O-CG 3.39Å; M369-M373 PolarHBondContact O-N 2.83Å; L370-M373 HydrophobicContact CB-CE 4.21Å; L370-M373 HydrophobicContact CD1-CE 3.9Å; L370-M373 PolarHBondContact O-N 3.26Å; A371-M373 VanDerWaalsContact C-N 3.27Å; A371-M373 PolarHBondContact O-N 3.47Å; M373-L375 VanDerWaalsContact C-N 3.33Å; M373-L375 PolarHBondContact O-N 3.26Å; M373-M376 PolarHBondContact O-N 2.72Å; M373-I377 WeakPolarHBondContact O-CG1 3.21Å; M373-I377 PolarHBondContact O-N 3.4Å
374L98.4Very high96.3Very high3 Ų329.3 Ų29.32%0.01615%0.151CC..Hα-helixtrans-63.1-40179-71.3-179.2000112F350 T351 H355 Y359 I360 L363 L370 A371 H378F350-L374 HydrophobicContact CD1-CD2 4.22Å; F350-L374 HydrophobicContact CE1-CD2 4.18Å; T351-L374 HydrophobicContact CG2-CB 3.82Å; T351-L374 HydrophobicContact CG2-CD2 4.35Å; T351-L374 WeakPolarHBondContact OG1-CA 3.39Å; T351-L374 PolarHBondContact OG1-O 3.22Å; H355-L374 HydrophobicContact CB-CD1 4.46Å; Y359-L374 HydrophobicContact CD1-CD1 4.49Å; Y359-L374 HydrophobicContact CE1-CD1 4.23Å; I360-L374 HydrophobicContact CG1-CD1 4.35Å; L363-L374 HydrophobicContact CD1-CD1 3.84Å; L370-L374 HydrophobicContact CD1-CD1 4.5Å; L370-L374 HydrophobicContact CD1-CD2 4.43Å; L370-L374 HydrophobicContact CD1-CG 4.1Å; L370-L374 HydrophobicContact CG-CD1 4.09Å; L370-L374 HydrophobicContact CG-CG 4.16Å; L370-L374 WeakPolarHBondContact O-CG 3.46Å; L370-L374 PolarHBondContact O-N 2.97Å; A371-L374 PolarHBondContact O-N 2.9Å; L374-H378 PolarHBondContact O-N 3.02Å
375L98.3Very high96.5Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-65.1-39.3174.1-70179.8000111.9S298 F326 I343 I360 H364 A371 M373 I377 H378 N379S298-L375 VanDerWaalsContact OG-C 3.28Å; S298-L375 PolarHBondContact OG-O 2.93Å; F326-L375 HydrophobicContact CD2-CD1 4.34Å; F326-L375 HydrophobicContact CD2-CD2 3.95Å; F326-L375 HydrophobicContact CE2-CD2 3.91Å; I343-L375 HydrophobicContact CD1-CD2 3.94Å; I360-L375 HydrophobicContact CG2-CD2 4.17Å; I360-L375 HydrophobicContact CG2-CG 4.31Å; H364-L375 WeakPolarHBondContact NE2-CD1 3.5Å; A371-L375 PolarHBondContact O-N 3.34Å; M373-L375 VanDerWaalsContact C-N 3.33Å; M373-L375 PolarHBondContact O-N 3.26Å; L375-I377 PolarHBondContact O-N 3.22Å; L375-H378 PolarHBondContact O-N 3.46Å; L375-N379 VanDerWaalsContact O-CB 3.23Å; L375-N379 WeakPolarHBondContact O-CB 3.44Å; L375-N379 PolarHBondContact O-N 2.94Å; L375-N379 PolarHBondContact O-ND2 3.26Å
376M98.2Very high96.8Very high4 Ų425.5 Ų25.52%0.0213%0.129CC..Hα-helixtrans-66.3-39.5180-171.466-176.800112.3V44 P45 F46 L47 P294 S298 P372 M373 S380V44-M376 HydrophobicContact CG1-CE 4.2Å; P45-M376 HydrophobicContact CB-CE 4.34Å; P45-M376 HydrophobicContact CG-CE 4.34Å; P45-M376 WeakPolarHBondContact O-CG 3.43Å; F46-M376 HydrophobicContact CD2-CB 3.96Å; F46-M376 HydrophobicContact CD2-CG 4.18Å; L47-M376 HydrophobicContact CD1-CB 4.22Å; L47-M376 HydrophobicContact CD1-CG 3.74Å; L47-M376 HydrophobicContact CD2-CB 4.32Å; L47-M376 HydrophobicContact CG-CB 4.23Å; L47-M376 HydrophobicContact CG-CG 3.89Å; P294-M376 HydrophobicContact CB-CE 4.13Å; P294-M376 HydrophobicContact CB-SD 3.94Å; S298-M376 WeakPolarHBondContact OG-CA 3.44Å; S298-M376 PolarHBondContact OG-N 2.88Å; P372-M376 VanDerWaalsContact O-CB 3.24Å; P372-M376 WeakPolarHBondContact O-CB 3.45Å; P372-M376 PolarHBondContact O-N 3.15Å; M373-M376 PolarHBondContact O-N 2.72Å; M376-S380 WeakPolarHBondContact O-CB 3.36Å; M376-S380 PolarHBondContact O-N 3.46Å; M376-S380 PolarHBondContact O-OG 2.89Å
377I98.7Very high97.1Very high13 Ų1323.4 Ų23.47%0.06711%0.111CC..Hα-helixtrans-59.4-51.1173.4-65.9165.4000110L47 V51 I55 F350 M373 L375 H381L47-I377 HydrophobicContact CD1-CG1 4.01Å; L47-I377 HydrophobicContact CD2-CD1 4.24Å; L47-I377 HydrophobicContact CD2-CG1 3.7Å; V51-I377 HydrophobicContact CG1-CD1 3.74Å; V51-I377 HydrophobicContact CG1-CG1 4.04Å; I55-I377 HydrophobicContact CG1-CG2 4.42Å; F350-I377 HydrophobicContact CB-CG2 4.16Å; F350-I377 HydrophobicContact CD1-CD1 4.3Å; M373-I377 WeakPolarHBondContact O-CG1 3.21Å; M373-I377 PolarHBondContact O-N 3.4Å; L375-I377 PolarHBondContact O-N 3.22Å; I377-H381 WeakPolarHBondContact O-CB 3.41Å; I377-H381 PolarHBondContact O-N 2.87Å; I377-H381 VanDerWaalsContact O-N 3.13Å
378H98.6Very high97.4Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-64.1-53.4-178174.174.3000112.4W304 I343 C352 L374 L375 S380 H381 Q382W304-H378 PolarHBondContact O-NE2 2.74Å; I343-H378 HydrophobicContact CD1-CB 3.89Å; I343-H378 WeakPolarHBondContact CG2-NE2 3.44Å; C352-H378 PolarHBondContact SG-ND1 3.37Å; C352-H378 VanDerWaalsContact SG-ND1 3.35Å; L374-H378 PolarHBondContact O-N 3.02Å; L375-H378 PolarHBondContact O-N 3.46Å; H378-S380 VanDerWaalsContact C-N 3.29Å; H378-S380 PolarHBondContact O-N 3.48Å; H378-H381 WeakPolarHBondContact O-CB 3.49Å; H378-H381 PolarHBondContact O-N 2.86Å; H378-H381 VanDerWaalsContact O-N 3.17Å; H378-Q382 PolarHBondContact CE1-NE2 3.29Å; H378-Q382 WeakPolarHBondContact O-CG 3.46Å; H378-Q382 PolarHBondContact O-N 3.16Å
379N98.4Very high97.5Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-63.1-36.7-176.5-71-32000111.8P294 S298 I302 W304 L375 Y383P294-N379 HydrophobicContact CB-CB 3.98Å; S298-N379 PolarHBondContact OG-ND2 3.49Å; I302-N379 PolarHBondContact O-ND2 2.96Å; W304-N379 PolarHBondContact N-OD1 3.3Å; L375-N379 VanDerWaalsContact O-CB 3.23Å; L375-N379 WeakPolarHBondContact O-CB 3.44Å; L375-N379 PolarHBondContact O-N 2.94Å; L375-N379 PolarHBondContact O-ND2 3.26Å; N379-Y383 VanDerWaalsContact O-CB 3.28Å; N379-Y383 WeakPolarHBondContact O-CB 3.44Å; N379-Y383 PolarHBondContact O-N 3.17Å
380S98.6Very high97.7Very high1 Ų112.4 Ų12.41%0.0076%0.064CC..Hα-helixtrans-65.3-46175.3-59.10000111.1P294 M376 H378 Q382 Y383 Y384P294-S380 WeakPolarHBondContact CB-OG 3.41Å; M376-S380 WeakPolarHBondContact O-CB 3.36Å; M376-S380 PolarHBondContact O-N 3.46Å; M376-S380 PolarHBondContact O-OG 2.89Å; H378-S380 VanDerWaalsContact C-N 3.29Å; H378-S380 PolarHBondContact O-N 3.48Å; S380-Q382 PolarHBondContact O-N 2.95Å; S380-Y383 PolarHBondContact O-N 2.94Å; S380-Y384 WeakPolarHBondContact O-CD2 3.36Å; S380-Y384 PolarHBondContact O-N 3.45Å
381H98.2Very high97.7Very high5 Ų511.3 Ų11.32%0.0236%0.056CC..Hα-helixtrans-57.6-47.1176.3177.286.2000112I55 E56 N348 C349 I377 H378 Y383 Y384 R385I55-H381 HydrophobicContact CG2-CB 4.19Å; E56-H381 IonicContact OE2-CE1 3.51Å; E56-H381 PolarHBondContact OE2-CE1 3.38Å; N348-H381 PolarHBondContact OD1-CE1 2.94Å; N348-H381 PolarHBondContact OD1-NE2 3.49Å; C349-H381 HydrophobicContact CB-CB 3.9Å; I377-H381 WeakPolarHBondContact O-CB 3.41Å; I377-H381 PolarHBondContact O-N 2.87Å; I377-H381 VanDerWaalsContact O-N 3.13Å; H378-H381 WeakPolarHBondContact O-CB 3.49Å; H378-H381 PolarHBondContact O-N 2.86Å; H378-H381 VanDerWaalsContact O-N 3.17Å; H381-Y383 VanDerWaalsContact C-N 3.34Å; H381-Y383 PolarHBondContact O-N 2.89Å; H381-Y384 PolarHBondContact O-N 2.99Å; H381-R385 VanDerWaalsContact NE2-CD 3.31Å; H381-R385 WeakPolarHBondContact NE2-CD 3.27Å; H381-R385 PolarHBondContact O-N 3.08Å
382Q97.5Very high97.7Very high0 Ų015.4 Ų15.40%07%0.071CC..Hα-helixtrans-62.8-40.5176.8-63.7-52.2-27.700112.4W304 C347 H378 S380 Y384 R385 F386W304-Q382 HydrophobicContact CD2-CB 4.39Å; W304-Q382 HydrophobicContact CE3-CB 3.91Å; W304-Q382 HydrophobicContact CZ3-CB 4.37Å; C347-Q382 PolarHBondContact SG-NE2 3.27Å; H378-Q382 PolarHBondContact CE1-NE2 3.29Å; H378-Q382 WeakPolarHBondContact O-CG 3.46Å; H378-Q382 PolarHBondContact O-N 3.16Å; S380-Q382 PolarHBondContact O-N 2.95Å; Q382-Y384 PolarHBondContact O-N 3Å; Q382-R385 WeakPolarHBondContact O-CB 3.48Å; Q382-R385 PolarHBondContact O-N 3.25Å; Q382-F386 PolarHBondContact O-N 2.9Å
383Y98Very high97.7Very high0 Ų015.3 Ų15.30%07%0.07CC..Hα-helixtrans-67.8-35.8-178.5-170-121.1000113.6C35 I278 L293 P294 W304 N379 S380 H381 F386 F387C35-Y383 HydrophobicContact CB-CE1 3.77Å; C35-Y383 WeakPolarHBondContact SG-CE1 3.39Å; I278-Y383 HydrophobicContact CD1-CE2 3.81Å; I278-Y383 WeakPolarHBondContact CD1-OH 3.49Å; L293-Y383 HydrophobicContact CB-CD2 4.25Å; L293-Y383 HydrophobicContact CB-CE2 3.83Å; L293-Y383 HydrophobicContact CD2-CD2 3.64Å; L293-Y383 HydrophobicContact CD2-CE2 3.62Å; L293-Y383 HydrophobicContact CG-CD2 4.44Å; L293-Y383 HydrophobicContact CG-CE2 4.34Å; P294-Y383 HydrophobicContact CG-CD1 3.77Å; P294-Y383 HydrophobicContact CG-CG 3.94Å; W304-Y383 HydrophobicContact CH2-CD2 4.17Å; W304-Y383 AromaticContact CZ3-CD2 3.7Å; W304-Y383 HydrophobicContact CZ3-CD2 3.7Å; W304-Y383 HydrophobicContact CZ3-CG 4.27Å; N379-Y383 VanDerWaalsContact O-CB 3.28Å; N379-Y383 WeakPolarHBondContact O-CB 3.44Å; N379-Y383 PolarHBondContact O-N 3.17Å; S380-Y383 PolarHBondContact O-N 2.94Å; H381-Y383 VanDerWaalsContact C-N 3.34Å; H381-Y383 PolarHBondContact O-N 2.89Å; Y383-F386 HydrophobicContact CD2-CD1 4.15Å; Y383-F386 HydrophobicContact CE2-CD1 4.27Å; Y383-F386 HydrophobicContact CE2-CE1 4.49Å; Y383-F386 WeakPolarHBondContact O-CB 3.4Å; Y383-F386 PolarHBondContact O-N 2.65Å; Y383-F387 HydrophobicContact CD1-CD2 4.43Å; Y383-F387 HydrophobicContact CD1-CE2 4.31Å; Y383-F387 HydrophobicContact CD2-CE2 4.39Å; Y383-F387 HydrophobicContact CE1-CD2 4.2Å; Y383-F387 AromaticContact CE1-CE2 3.65Å; Y383-F387 HydrophobicContact CE1-CE2 3.65Å; Y383-F387 HydrophobicContact CE2-CD2 4.42Å; Y383-F387 AromaticContact CE2-CE2 3.81Å; Y383-F387 HydrophobicContact CE2-CE2 3.81Å; Y383-F387 AromaticContact CZ-CE2 3.44Å; Y383-F387 VanDerWaalsContact CZ-CE2 3.44Å; Y383-F387 WeakPolarHBondContact O-CD2 3.25Å; Y383-F387 PolarHBondContact O-N 3.4Å; Y383-F387 VanDerWaalsContact O-N 3.17Å
384Y98.2Very high97.6Very high11 Ų1112.3 Ų12.34%0.0436%0.056CC..Hα-helixtrans-71.9-33.3175.7-53.4-30.7000112L37 I55 L58 P59 S380 H381 Q382 F387 S388L37-Y384 WeakPolarHBondContact CD1-OH 3.49Å; I55-Y384 HydrophobicContact CG2-CD2 3.91Å; I55-Y384 HydrophobicContact CG2-CE2 3.84Å; L58-Y384 HydrophobicContact CB-CE2 4.48Å; L58-Y384 HydrophobicContact CD1-CE2 3.64Å; P59-Y384 VanDerWaalsContact CD-CE1 3.48Å; P59-Y384 HydrophobicContact CG-CD1 4.09Å; P59-Y384 HydrophobicContact CG-CE1 3.68Å; S380-Y384 WeakPolarHBondContact O-CD2 3.36Å; S380-Y384 PolarHBondContact O-N 3.45Å; H381-Y384 PolarHBondContact O-N 2.99Å; Q382-Y384 PolarHBondContact O-N 3Å; Y384-F387 PolarHBondContact O-N 3.02Å; Y384-S388 PolarHBondContact O-N 3.35Å; Y384-S388 VanDerWaalsContact O-N 3.08Å
385R96.9Very high97.4Very high39 Ų3914.5 Ų14.515%0.1477%0.074CC..Hα-helixtrans-63.1-45.5168.8-75.117456.1171.5-6.4112.3L57 Y306 D308 H381 Q382 F387 S388 D389L57-R385 HydrophobicContact CD1-CG 4.27Å; Y306-R385 HydrophobicContact CE1-CB 4.38Å; D308-R385 IonicContact OD1-CZ 2.74Å; D308-R385 IonicContact OD1-NE 2.7Å; D308-R385 PolarHBondContact OD1-NE 3.3Å; D308-R385 IonicContact OD1-NH2 3.19Å; D308-R385 PolarHBondContact OD1-NH2 2.69Å; D308-R385 IonicContact OD2-CZ 2.66Å; D308-R385 IonicContact OD2-NH2 2.82Å; D308-R385 PolarHBondContact OD2-NH2 2.67Å; H381-R385 VanDerWaalsContact NE2-CD 3.31Å; H381-R385 WeakPolarHBondContact NE2-CD 3.27Å; H381-R385 PolarHBondContact O-N 3.08Å; Q382-R385 WeakPolarHBondContact O-CB 3.48Å; Q382-R385 PolarHBondContact O-N 3.25Å; R385-F387 VanDerWaalsContact C-N 3.27Å; R385-F387 PolarHBondContact O-N 3.5Å; R385-S388 WeakPolarHBondContact O-CA 3.17Å; R385-S388 WeakPolarHBondContact O-CB 3.39Å; R385-S388 PolarHBondContact O-N 3.17Å; R385-D389 PolarHBondContact O-N 3.41Å
386F97.3Very high97.1Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-52.9-43.9174.2158.4-90.3000112.3P275 I278 W304 Y306 Q382 Y383 D389 L390 F402 V406P275-F386 HydrophobicContact CB-CD2 4.3Å; P275-F386 HydrophobicContact CB-CE2 3.75Å; P275-F386 HydrophobicContact CB-CZ 4.18Å; P275-F386 WeakPolarHBondContact O-CZ 3.34Å; I278-F386 HydrophobicContact CB-CE1 4.26Å; I278-F386 HydrophobicContact CB-CZ 4.06Å; I278-F386 HydrophobicContact CD1-CE1 4.15Å; I278-F386 HydrophobicContact CG2-CE1 3.75Å; I278-F386 HydrophobicContact CG2-CZ 3.85Å; W304-F386 HydrophobicContact CH2-CB 3.65Å; W304-F386 HydrophobicContact CH2-CD2 4.12Å; W304-F386 AromaticContact CH2-CG 3.85Å; W304-F386 HydrophobicContact CH2-CG 3.85Å; W304-F386 HydrophobicContact CZ2-CB 4.48Å; W304-F386 HydrophobicContact CZ2-CD2 4.49Å; W304-F386 HydrophobicContact CZ3-CB 4.35Å; Y306-F386 HydrophobicContact CD1-CB 4.49Å; Y306-F386 HydrophobicContact CE1-CB 4.06Å; Y306-F386 HydrophobicContact CE2-CB 4.19Å; Y306-F386 HydrophobicContact CE2-CD2 4.06Å; Q382-F386 PolarHBondContact O-N 2.9Å; Y383-F386 HydrophobicContact CD2-CD1 4.15Å; Y383-F386 HydrophobicContact CE2-CD1 4.27Å; Y383-F386 HydrophobicContact CE2-CE1 4.49Å; Y383-F386 WeakPolarHBondContact O-CB 3.4Å; Y383-F386 PolarHBondContact O-N 2.65Å; F386-D389 PolarHBondContact O-N 2.9Å; F386-L390 WeakPolarHBondContact O-CB 3.28Å; F386-L390 PolarHBondContact O-N 3.2Å; F386-F402 HydrophobicContact CD2-CE1 4.44Å; F386-F402 AromaticContact CD2-CZ 3.73Å; F386-F402 HydrophobicContact CD2-CZ 3.73Å; F386-F402 AromaticContact CE2-CE1 3.79Å; F386-F402 HydrophobicContact CE2-CE1 3.79Å; F386-F402 AromaticContact CE2-CZ 3.53Å; F386-F402 HydrophobicContact CE2-CZ 3.53Å; F386-F402 HydrophobicContact CZ-CE1 4.28Å; F386-F402 HydrophobicContact CZ-CZ 4.3Å; F386-V406 HydrophobicContact CD2-CG1 4.32Å; F386-V406 HydrophobicContact CE2-CG1 3.96Å
387F98.2Very high96.8Very high3 Ų321.6 Ų21.61%0.01311%0.114CC..Hα-helixtrans-69-32.7175.8-90-75000113.4G34 C35 I278 F289 Y383 Y384 R385 D389 L390 R391G34-F387 VanDerWaalsContact C-CE1 3.49Å; G34-F387 VanDerWaalsContact CA-CD1 3.45Å; C35-F387 HydrophobicContact CB-CD2 3.98Å; C35-F387 HydrophobicContact CB-CE2 3.41Å; C35-F387 VanDerWaalsContact CB-CE2 3.41Å; C35-F387 HydrophobicContact CB-CZ 3.79Å; C35-F387 VanDerWaalsContact SG-CD2 3.53Å; C35-F387 VanDerWaalsContact SG-CE2 3.57Å; I278-F387 HydrophobicContact CD1-CZ 4.38Å; I278-F387 HydrophobicContact CG2-CE1 3.91Å; I278-F387 HydrophobicContact CG2-CZ 3.77Å; F289-F387 HydrophobicContact CB-CZ 3.96Å; F289-F387 AromaticContact CD2-CE1 3.57Å; F289-F387 HydrophobicContact CD2-CE1 3.57Å; F289-F387 AromaticContact CD2-CZ 3.64Å; F289-F387 HydrophobicContact CD2-CZ 3.64Å; F289-F387 HydrophobicContact CE2-CE1 4.07Å; F289-F387 HydrophobicContact CE2-CZ 4.44Å; F289-F387 HydrophobicContact CG-CE1 4.34Å; F289-F387 AromaticContact CG-CZ 3.95Å; F289-F387 HydrophobicContact CG-CZ 3.95Å; Y383-F387 HydrophobicContact CD1-CD2 4.43Å; Y383-F387 HydrophobicContact CD1-CE2 4.31Å; Y383-F387 HydrophobicContact CD2-CE2 4.39Å; Y383-F387 HydrophobicContact CE1-CD2 4.2Å; Y383-F387 AromaticContact CE1-CE2 3.65Å; Y383-F387 HydrophobicContact CE1-CE2 3.65Å; Y383-F387 HydrophobicContact CE2-CD2 4.42Å; Y383-F387 AromaticContact CE2-CE2 3.81Å; Y383-F387 HydrophobicContact CE2-CE2 3.81Å; Y383-F387 AromaticContact CZ-CE2 3.44Å; Y383-F387 VanDerWaalsContact CZ-CE2 3.44Å; Y383-F387 WeakPolarHBondContact O-CD2 3.25Å; Y383-F387 PolarHBondContact O-N 3.4Å; Y383-F387 VanDerWaalsContact O-N 3.17Å; Y384-F387 PolarHBondContact O-N 3.02Å; R385-F387 VanDerWaalsContact C-N 3.27Å; R385-F387 PolarHBondContact O-N 3.5Å; F387-D389 VanDerWaalsContact C-N 3.34Å; F387-L390 HydrophobicContact CD1-CD2 3.96Å; F387-L390 HydrophobicContact CE1-CD2 4.02Å; F387-L390 PolarHBondContact O-N 3.28Å; F387-R391 WeakPolarHBondContact O-CG 3.4Å; F387-R391 PolarHBondContact O-N 2.75Å; F387-R391 PolarHBondContact O-NH1 3.05Å
388S97.5Very high96.6Very high43 Ų4324.7 Ų24.730%0.30113%0.127SC..Hα-helixtrans-60.7-45.6172-168.80000111.1Y384 R385 R391 R392Y384-S388 PolarHBondContact O-N 3.35Å; Y384-S388 VanDerWaalsContact O-N 3.08Å; R385-S388 WeakPolarHBondContact O-CA 3.17Å; R385-S388 WeakPolarHBondContact O-CB 3.39Å; R385-S388 PolarHBondContact O-N 3.17Å; S388-R391 PolarHBondContact O-N 3.25Å; S388-R392 PolarHBondContact O-N 3.42Å
389D96.6Very high96.4Very high13 Ų1324.9 Ų24.97%0.0713%0.128CC..Hα-helixtrans-69.2-38177.8-79.3-6.3000113Y306 D308 W309 R385 F386 F387 R391 R392 S393 F402Y306-D389 WeakPolarHBondContact OH-CB 3.37Å; Y306-D389 PolarHBondContact OH-OD2 2.88Å; D308-D389 WeakPolarHBondContact CA-OD2 3.48Å; W309-D389 HydrophobicContact CB-CB 4.15Å; W309-D389 PolarHBondContact N-OD2 2.82Å; R385-D389 PolarHBondContact O-N 3.41Å; F386-D389 PolarHBondContact O-N 2.9Å; F387-D389 VanDerWaalsContact C-N 3.34Å; D389-R391 VanDerWaalsContact C-N 3.35Å; D389-R391 PolarHBondContact O-N 2.72Å; D389-R392 PolarHBondContact O-N 3.25Å; D389-R392 IonicContact OD1-CZ 3.55Å; D389-R392 IonicContact OD1-NE 3.38Å; D389-R392 PolarHBondContact OD1-NE 3.36Å; D389-R392 IonicContact OD1-NH2 2.75Å; D389-R392 PolarHBondContact OD1-NH2 2.81Å; D389-R392 IonicContact OD2-NH2 3.7Å; D389-S393 WeakPolarHBondContact O-CB 3.07Å; D389-S393 PolarHBondContact O-N 3.24Å; D389-F402 HydrophobicContact CB-CD2 4.46Å; D389-F402 HydrophobicContact CB-CE2 3.72Å
390L97.2Very high96.1Very high0 Ų029.3 Ų29.30%015%0.152CC..Hα-helixtrans-56.8-49.1171.6175.257.6000110.8P33 I278 A282 F386 F387 R392 S393 I394 I399 F402P33-L390 HydrophobicContact CB-CD2 3.93Å; P33-L390 HydrophobicContact CB-CG 4.39Å; I278-L390 HydrophobicContact CG2-CD2 4.03Å; A282-L390 HydrophobicContact CB-CD1 4.1Å; A282-L390 HydrophobicContact CB-CD2 3.88Å; A282-L390 HydrophobicContact CB-CG 4.42Å; F386-L390 WeakPolarHBondContact O-CB 3.28Å; F386-L390 PolarHBondContact O-N 3.2Å; F387-L390 HydrophobicContact CD1-CD2 3.96Å; F387-L390 HydrophobicContact CE1-CD2 4.02Å; F387-L390 PolarHBondContact O-N 3.28Å; L390-R392 VanDerWaalsContact C-N 3.35Å; L390-R392 PolarHBondContact O-N 3.14Å; L390-S393 PolarHBondContact O-N 2.93Å; L390-S393 PolarHBondContact O-OG 3.37Å; L390-I394 HydrophobicContact CD1-CD1 4.22Å; L390-I394 HydrophobicContact CG-CD1 4.45Å; L390-I394 PolarHBondContact O-N 3.15Å; L390-I399 HydrophobicContact CD1-CD1 3.46Å; L390-I399 VanDerWaalsContact CD1-CD1 3.46Å; L390-F402 HydrophobicContact CB-CE1 3.85Å; L390-F402 HydrophobicContact CB-CZ 3.84Å; L390-F402 HydrophobicContact CD1-CD1 3.85Å; L390-F402 HydrophobicContact CD1-CE1 3.68Å; L390-F402 HydrophobicContact CG-CE1 4.29Å
391R97.4Very high95.9Very high38 Ų3830.2 Ų30.214%0.14316%0.158CC..Hα-helixtrans-60.6-43.6176-72.8-168.6-59.5-77.6-1.3112L16 P33 F387 S388 D389 S393 I394 A395L16-R391 HydrophobicContact CD2-CB 4.15Å; L16-R391 HydrophobicContact CD2-CG 4.25Å; P33-R391 WeakPolarHBondContact O-CD 3.42Å; P33-R391 VanDerWaalsContact O-CG 3.26Å; P33-R391 WeakPolarHBondContact O-CG 3.44Å; P33-R391 PolarHBondContact O-NH1 2.81Å; P33-R391 VanDerWaalsContact O-NH1 3.16Å; F387-R391 WeakPolarHBondContact O-CG 3.4Å; F387-R391 PolarHBondContact O-N 2.75Å; F387-R391 PolarHBondContact O-NH1 3.05Å; S388-R391 PolarHBondContact O-N 3.25Å; D389-R391 VanDerWaalsContact C-N 3.35Å; D389-R391 PolarHBondContact O-N 2.72Å; R391-S393 VanDerWaalsContact C-N 3.35Å; R391-S393 PolarHBondContact O-N 2.67Å; R391-I394 PolarHBondContact O-N 2.82Å; R391-A395 WeakPolarHBondContact O-CB 3.46Å; R391-A395 PolarHBondContact O-N 3.15Å
392R96Very high95.7Very high86 Ų8630 Ų3033%0.32516%0.157SC..Hα-helixtrans-60.9-43.7177.4-177.1169.751.594.7-2.7111.5W309 S388 D389 L390 I394 A395 V396W309-R392 VanDerWaalsContact CE3-NH1 3.33Å; W309-R392 HydrophobicContact CZ3-CG 4.29Å; W309-R392 PolarHBondContact O-NH1 3.03Å; W309-R392 PolarHBondContact O-NH2 3.4Å; S388-R392 PolarHBondContact O-N 3.42Å; D389-R392 PolarHBondContact O-N 3.25Å; D389-R392 IonicContact OD1-CZ 3.55Å; D389-R392 IonicContact OD1-NE 3.38Å; D389-R392 PolarHBondContact OD1-NE 3.36Å; D389-R392 IonicContact OD1-NH2 2.75Å; D389-R392 PolarHBondContact OD1-NH2 2.81Å; D389-R392 IonicContact OD2-NH2 3.7Å; L390-R392 VanDerWaalsContact C-N 3.35Å; L390-R392 PolarHBondContact O-N 3.14Å; R392-I394 VanDerWaalsContact C-N 3.29Å; R392-I394 PolarHBondContact O-N 2.84Å; R392-A395 WeakPolarHBondContact O-CB 3.26Å; R392-A395 PolarHBondContact O-N 3.11Å; R392-A395 VanDerWaalsContact O-N 3.14Å; R392-V396 WeakPolarHBondContact O-CG2 3.43Å; R392-V396 PolarHBondContact O-N 3.17Å
393S95.3Very high95.5Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-61.2-36.4178.878.80000112.9D389 L390 R391 N397 K398 I399 F402D389-S393 WeakPolarHBondContact O-CB 3.07Å; D389-S393 PolarHBondContact O-N 3.24Å; L390-S393 PolarHBondContact O-N 2.93Å; L390-S393 PolarHBondContact O-OG 3.37Å; R391-S393 VanDerWaalsContact C-N 3.35Å; R391-S393 PolarHBondContact O-N 2.67Å; S393-N397 PolarHBondContact O-N 2.96Å; S393-K398 CarbonylContact O-C 3.52Å; S393-K398 PolarHBondContact O-N 2.84Å; S393-I399 PolarHBondContact O-N 3.12Å; S393-I399 WeakPolarHBondContact OG-CD1 3.32Å; S393-F402 VanDerWaalsContact CB-CB 3.48Å
394I95.5Very high95.2Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-70.8-44.5174.2-66.1163.5000110.1F10 M14 L16 P33 L390 R391 R392 V396 N397 I399F10-I394 HydrophobicContact CD2-CG2 3.66Å; F10-I394 HydrophobicContact CE2-CG2 4.18Å; F10-I394 HydrophobicContact CG-CG2 4.35Å; M14-I394 HydrophobicContact CB-CG2 4.25Å; L16-I394 HydrophobicContact CD1-CG2 4.3Å; L16-I394 HydrophobicContact CD2-CB 4.03Å; L16-I394 HydrophobicContact CD2-CG2 3.95Å; L16-I394 HydrophobicContact CG-CB 4.34Å; L16-I394 HydrophobicContact CG-CG2 3.76Å; P33-I394 HydrophobicContact CG-CD1 3.54Å; L390-I394 HydrophobicContact CD1-CD1 4.22Å; L390-I394 HydrophobicContact CG-CD1 4.45Å; L390-I394 PolarHBondContact O-N 3.15Å; R391-I394 PolarHBondContact O-N 2.82Å; R392-I394 VanDerWaalsContact C-N 3.29Å; R392-I394 PolarHBondContact O-N 2.84Å; I394-V396 PolarHBondContact O-N 3.14Å; I394-N397 PolarHBondContact O-N 3.11Å; I394-I399 HydrophobicContact CG1-CB 4.47Å; I394-I399 HydrophobicContact CG1-CD1 4.03Å; I394-I399 HydrophobicContact CG1-CG1 4.41Å
395A94.4Very high94.8Very high48 Ų4834.2 Ų34.240%0.39718%0.183SC..Hα-helixtrans-58.6-35.5-178.900000113F10 L16 R391 R392F10-A395 WeakPolarHBondContact CZ-O 3.48Å; L16-A395 HydrophobicContact CD1-CB 3.69Å; R391-A395 WeakPolarHBondContact O-CB 3.46Å; R391-A395 PolarHBondContact O-N 3.15Å; R392-A395 WeakPolarHBondContact O-CB 3.26Å; R392-A395 PolarHBondContact O-N 3.11Å; R392-A395 VanDerWaalsContact O-N 3.14Å
396V93.5Very high94.5Very high55 Ų5532.4 Ų32.433%0.33318%0.176SC..THydrogen-bonded Turntrans-96.410.2177.1-52.60000113.2W309 E311 R392 I394 K398W309-V396 HydrophobicContact CH2-CG2 3.71Å; W309-V396 HydrophobicContact CZ3-CG2 4.16Å; E311-V396 HydrophobicContact CG-CG2 3.96Å; R392-V396 WeakPolarHBondContact O-CG2 3.43Å; R392-V396 PolarHBondContact O-N 3.17Å; I394-V396 PolarHBondContact O-N 3.14Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 HydrophobicContact CG2-CB 4.04Å; V396-K398 HydrophobicContact CG2-CD 4.21Å; V396-K398 HydrophobicContact CG2-CG 4.27Å; V396-K398 PolarHBondContact O-N 3.21Å
397N92Very high94Very high99 Ų9934.7 Ų34.753%0.52919%0.192SC..THydrogen-bonded Turntrans53.341179.1-164.843.7000114.3F10 S393 I394F10-N397 HydrophobicContact CD1-CB 4.08Å; F10-N397 HydrophobicContact CE1-CB 4.37Å; S393-N397 PolarHBondContact O-N 2.96Å; I394-N397 PolarHBondContact O-N 3.11Å
398K93.5Very high93Very high77 Ų7737 Ų3734%0.33521%0.205SC..  trans-124.934.3177.6-70.5177170.4179.10112.5W309 E311 S393 V396 D400 S401 F402W309-K398 HydrophobicContact CH2-CB 3.84Å; W309-K398 HydrophobicContact CH2-CD 4.46Å; W309-K398 HydrophobicContact CZ2-CB 3.78Å; E311-K398 HydrophobicContact CG-CD 3.38Å; E311-K398 PolarHBondContact O-NZ 3.39Å; E311-K398 WeakPolarHBondContact OE1-CE 3.34Å; E311-K398 IonicContact OE1-NZ 2.71Å; E311-K398 PolarHBondContact OE1-NZ 3.21Å; S393-K398 CarbonylContact O-C 3.52Å; S393-K398 PolarHBondContact O-N 2.84Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 HydrophobicContact CG2-CB 4.04Å; V396-K398 HydrophobicContact CG2-CD 4.21Å; V396-K398 HydrophobicContact CG2-CG 4.27Å; V396-K398 PolarHBondContact O-N 3.21Å; K398-D400 PolarHBondContact O-N 2.89Å; K398-S401 WeakPolarHBondContact O-CB 3.15Å; K398-S401 PolarHBondContact O-N 3.35Å; K398-S401 VanDerWaalsContact O-N 3.14Å; K398-F402 PolarHBondContact O-N 3.38Å; K398-F402 VanDerWaalsContact O-N 3.17Å
399I94.2Very high92.2Very high4 Ų435.9 Ų35.92%0.02119%0.194CC..Hα-helixtrans-56.4-34.4178.1-171.756.7000112.7M14 R283 L390 S393 I394 S401 F402 I403M14-I399 HydrophobicContact CE-CG2 4.16Å; M14-I399 HydrophobicContact SD-CB 4Å; M14-I399 HydrophobicContact SD-CG1 4.31Å; M14-I399 HydrophobicContact SD-CG2 3.48Å; M14-I399 WeakPolarHBondContact SD-CG2 3.45Å; R283-I399 HydrophobicContact CB-CG1 4.11Å; R283-I399 HydrophobicContact CG-CG1 4.35Å; R283-I399 HydrophobicContact CG-CG2 4.24Å; L390-I399 HydrophobicContact CD1-CD1 3.46Å; L390-I399 VanDerWaalsContact CD1-CD1 3.46Å; S393-I399 PolarHBondContact O-N 3.12Å; S393-I399 WeakPolarHBondContact OG-CD1 3.32Å; I394-I399 HydrophobicContact CG1-CB 4.47Å; I394-I399 HydrophobicContact CG1-CD1 4.03Å; I394-I399 HydrophobicContact CG1-CG1 4.41Å; I399-S401 VanDerWaalsContact C-N 3.33Å; I399-S401 PolarHBondContact O-N 3.38Å; I399-F402 HydrophobicContact CD1-CB 4.38Å; I399-F402 HydrophobicContact CD1-CD1 4.1Å; I399-F402 CarbonylContact O-C 3.38Å; I399-F402 WeakPolarHBondContact O-CA 3.49Å; I399-F402 WeakPolarHBondContact O-CB 3.33Å; I399-F402 PolarHBondContact O-N 2.9Å; I399-F402 VanDerWaalsContact O-N 3.11Å; I399-I403 HydrophobicContact CG1-CD1 3.99Å; I399-I403 HydrophobicContact CG1-CG1 4.34Å; I399-I403 WeakPolarHBondContact O-CG1 3.38Å; I399-I403 PolarHBondContact O-N 3.49Å
400D93.1Very high91.6Very high93 Ų9338.8 Ų38.850%0.49720%0.204SC..Hα-helixtrans-70.4-32.4-178.5-66.2-44.1000111.8R283 K398 T404R283-D400 IonicContact CZ-OD1 3.88Å; R283-D400 IonicContact NH1-OD1 2.83Å; R283-D400 PolarHBondContact NH1-OD1 2.97Å; K398-D400 PolarHBondContact O-N 2.89Å; D400-T404 WeakPolarHBondContact O-CB 3.4Å; D400-T404 PolarHBondContact O-N 3.36Å; D400-T404 PolarHBondContact O-OG1 3.21Å
401S92.9Very high91.1Very high21 Ų2139 Ų3915%0.14721%0.205CC..Hα-helixtrans-65.3-42168.7168.80000110.8W309 P314 K398 I399 T404 H405W309-S401 PolarHBondContact NE1-OG 3.27Å; W309-S401 VanDerWaalsContact NE1-OG 3.15Å; P314-S401 WeakPolarHBondContact CB-OG 3.47Å; K398-S401 WeakPolarHBondContact O-CB 3.15Å; K398-S401 PolarHBondContact O-N 3.35Å; K398-S401 VanDerWaalsContact O-N 3.14Å; I399-S401 VanDerWaalsContact C-N 3.33Å; I399-S401 PolarHBondContact O-N 3.38Å; S401-T404 WeakPolarHBondContact O-CB 3.37Å; S401-T404 PolarHBondContact O-N 2.87Å; S401-H405 PolarHBondContact O-N 3.29Å
402F94.3Very high90.5Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-64.3-42.4175.7-177.8-95000112.3A279 W309 F386 D389 L390 S393 K398 I399 T404 H405 V406A279-F402 HydrophobicContact CB-CD1 4.07Å; A279-F402 HydrophobicContact CB-CE1 4.01Å; W309-F402 HydrophobicContact CB-CD2 3.63Å; W309-F402 HydrophobicContact CB-CE2 3.91Å; W309-F402 AromaticContact CD1-CD2 3.95Å; W309-F402 HydrophobicContact CD2-CB 4.36Å; W309-F402 AromaticContact CD2-CD2 3.93Å; W309-F402 HydrophobicContact CD2-CD2 3.93Å; W309-F402 HydrophobicContact CE3-CD2 4.46Å; W309-F402 HydrophobicContact CG-CB 4.42Å; W309-F402 AromaticContact CG-CD2 3.53Å; W309-F402 HydrophobicContact CG-CD2 3.53Å; W309-F402 HydrophobicContact CG-CE2 4.31Å; W309-F402 HydrophobicContact CG-CG 4.46Å; F386-F402 HydrophobicContact CD2-CE1 4.44Å; F386-F402 AromaticContact CD2-CZ 3.73Å; F386-F402 HydrophobicContact CD2-CZ 3.73Å; F386-F402 AromaticContact CE2-CE1 3.79Å; F386-F402 HydrophobicContact CE2-CE1 3.79Å; F386-F402 AromaticContact CE2-CZ 3.53Å; F386-F402 HydrophobicContact CE2-CZ 3.53Å; F386-F402 HydrophobicContact CZ-CE1 4.28Å; F386-F402 HydrophobicContact CZ-CZ 4.3Å; D389-F402 HydrophobicContact CB-CD2 4.46Å; D389-F402 HydrophobicContact CB-CE2 3.72Å; L390-F402 HydrophobicContact CB-CE1 3.85Å; L390-F402 HydrophobicContact CB-CZ 3.84Å; L390-F402 HydrophobicContact CD1-CD1 3.85Å; L390-F402 HydrophobicContact CD1-CE1 3.68Å; L390-F402 HydrophobicContact CG-CE1 4.29Å; S393-F402 VanDerWaalsContact CB-CB 3.48Å; K398-F402 PolarHBondContact O-N 3.38Å; K398-F402 VanDerWaalsContact O-N 3.17Å; I399-F402 HydrophobicContact CD1-CB 4.38Å; I399-F402 HydrophobicContact CD1-CD1 4.1Å; I399-F402 CarbonylContact O-C 3.38Å; I399-F402 WeakPolarHBondContact O-CA 3.49Å; I399-F402 WeakPolarHBondContact O-CB 3.33Å; I399-F402 PolarHBondContact O-N 2.9Å; I399-F402 VanDerWaalsContact O-N 3.11Å; F402-T404 VanDerWaalsContact C-N 3.29Å; F402-T404 PolarHBondContact O-N 3.41Å; F402-H405 WeakPolarHBondContact O-CB 3.45Å; F402-H405 PolarHBondContact O-N 3.04Å; F402-V406 HydrophobicContact CD1-CG1 4.25Å; F402-V406 HydrophobicContact CD1-CG2 4.38Å; F402-V406 HydrophobicContact CD2-CG1 4.49Å; F402-V406 HydrophobicContact CE1-CG1 3.78Å; F402-V406 HydrophobicContact CE1-CG2 4.25Å; F402-V406 HydrophobicContact CE2-CG1 4.05Å; F402-V406 HydrophobicContact CZ-CG1 3.69Å; F402-V406 WeakPolarHBondContact O-CG2 3.38Å; F402-V406 PolarHBondContact O-N 2.78Å
403I93.6Very high89.7Confident12 Ų1235.6 Ų35.66%0.06220%0.199CC..Hα-helixtrans-59.4-42.5174.2-72.3164.2000110.7Y276 A279 L280 R283 I399 V406 S407Y276-I403 HydrophobicContact CD2-CG2 3.9Å; Y276-I403 HydrophobicContact CE2-CG2 3.46Å; Y276-I403 VanDerWaalsContact CE2-CG2 3.46Å; A279-I403 HydrophobicContact CB-CG1 3.8Å; L280-I403 HydrophobicContact CD2-CD1 4.11Å; L280-I403 HydrophobicContact CD2-CG2 4.15Å; R283-I403 HydrophobicContact CB-CD1 4.12Å; R283-I403 HydrophobicContact CG-CD1 4.37Å; I399-I403 HydrophobicContact CG1-CD1 3.99Å; I399-I403 HydrophobicContact CG1-CG1 4.34Å; I399-I403 WeakPolarHBondContact O-CG1 3.38Å; I399-I403 PolarHBondContact O-N 3.49Å; I403-V406 PolarHBondContact O-N 3.22Å; I403-S407 WeakPolarHBondContact O-CB 3.37Å; I403-S407 PolarHBondContact O-N 2.83Å
404T91.6Very high89Confident79 Ų7940.4 Ų40.449%0.48522%0.224SC..Hα-helixtrans-61.9-46.4176.1-57.50000111D400 S401 F402 V406 S407D400-T404 WeakPolarHBondContact O-CB 3.4Å; D400-T404 PolarHBondContact O-N 3.36Å; D400-T404 PolarHBondContact O-OG1 3.21Å; S401-T404 WeakPolarHBondContact O-CB 3.37Å; S401-T404 PolarHBondContact O-N 2.87Å; F402-T404 VanDerWaalsContact C-N 3.29Å; F402-T404 PolarHBondContact O-N 3.41Å; T404-V406 PolarHBondContact O-N 2.83Å; T404-S407 WeakPolarHBondContact O-CB 3.43Å; T404-S407 PolarHBondContact O-N 3.36Å; T404-S407 PolarHBondContact O-OG 2.98Å
405H90.1Very high88.3Confident8 Ų841.4 Ų41.44%0.03723%0.229CC..Hα-helixtrans-53.2-55.8172.7-178.470.9000110.7E307 W309 S401 F402 S407 W409E307-H405 PolarHBondContact O-NE2 3.34Å; W309-H405 AromaticContact CD1-CG 3.91Å; S401-H405 PolarHBondContact O-N 3.29Å; F402-H405 WeakPolarHBondContact O-CB 3.45Å; F402-H405 PolarHBondContact O-N 3.04Å; H405-S407 VanDerWaalsContact C-N 3.28Å; H405-S407 PolarHBondContact O-N 3.25Å; H405-W409 AromaticContact CD2-CZ3 3.79Å; H405-W409 AromaticContact CE1-CH2 3.63Å; H405-W409 AromaticContact CE1-CZ3 3.83Å; H405-W409 AromaticContact NE2-CH2 3.57Å; H405-W409 AromaticContact NE2-CZ3 3.64Å; H405-W409 WeakPolarHBondContact O-CZ3 3.47Å
406V91.2Very high87.8Confident1 Ų140 Ų401%0.00622%0.215CC..Hα-helixtrans-77.3-10.8-172.5-55.40000114.6P275 Y276 A279 F386 F402 I403 T404 N408 W409P275-V406 HydrophobicContact CB-CB 4.37Å; Y276-V406 HydrophobicContact CD2-CG2 4.43Å; A279-V406 HydrophobicContact CB-CG2 3.72Å; F386-V406 HydrophobicContact CD2-CG1 4.32Å; F386-V406 HydrophobicContact CE2-CG1 3.96Å; F402-V406 HydrophobicContact CD1-CG1 4.25Å; F402-V406 HydrophobicContact CD1-CG2 4.38Å; F402-V406 HydrophobicContact CD2-CG1 4.49Å; F402-V406 HydrophobicContact CE1-CG1 3.78Å; F402-V406 HydrophobicContact CE1-CG2 4.25Å; F402-V406 HydrophobicContact CE2-CG1 4.05Å; F402-V406 HydrophobicContact CZ-CG1 3.69Å; F402-V406 WeakPolarHBondContact O-CG2 3.38Å; F402-V406 PolarHBondContact O-N 2.78Å; I403-V406 PolarHBondContact O-N 3.22Å; T404-V406 PolarHBondContact O-N 2.83Å; V406-N408 PolarHBondContact O-N 3.46Å; V406-W409 PolarHBondContact O-N 2.98Å
407S86.5Confident86.9Confident48 Ų4840.9 Ų40.934%0.33622%0.221SC..THydrogen-bonded Turntrans-55.1-26.8178.971.10000113.5I403 T404 H405I403-S407 WeakPolarHBondContact O-CB 3.37Å; I403-S407 PolarHBondContact O-N 2.83Å; T404-S407 WeakPolarHBondContact O-CB 3.43Å; T404-S407 PolarHBondContact O-N 3.36Å; T404-S407 PolarHBondContact O-OG 2.98Å; H405-S407 VanDerWaalsContact C-N 3.28Å; H405-S407 PolarHBondContact O-N 3.25Å
408N76.1Confident86.3Confident53 Ų5339.5 Ų39.528%0.28322%0.216SC..THydrogen-bonded Turntrans-74.8-27.5179.4-88-40.9000113.6K322 V406 R410K322-N408 HydrophobicContact CD-CB 4.09Å; K322-N408 WeakPolarHBondContact CD-O 3.42Å; K322-N408 WeakPolarHBondContact CE-O 3.44Å; K322-N408 PolarHBondContact NZ-O 2.82Å; K322-N408 PolarHBondContact NZ-OD1 2.85Å; V406-N408 PolarHBondContact O-N 3.46Å; N408-R410 PolarHBondContact O-N 3.21Å; N408-R410 VanDerWaalsContact O-N 3.16Å
409W81.4Confident85.9Confident18 Ų1837.4 Ų37.47%0.06821%0.208CC..  trans-88.486.3-177.8-74.7-88.5000111P275 W304 V305 E307 K322 H405 V406P275-W409 HydrophobicContact CB-CB 4.28Å; P275-W409 HydrophobicContact CG-CB 4.14Å; W304-W409 AromaticContact CD1-CD1 3.67Å; W304-W409 AromaticContact CD1-NE1 3.76Å; W304-W409 AromaticContact NE1-CD1 3.06Å; W304-W409 AromaticContact NE1-CG 3.81Å; W304-W409 AromaticContact NE1-NE1 3.22Å; V305-W409 PolarHBondContact O-NE1 2.78Å; E307-W409 HydrophobicContact CB-CH2 4.23Å; E307-W409 HydrophobicContact CB-CZ2 4.33Å; K322-W409 PolarHBondContact O-NE1 2.96Å; H405-W409 AromaticContact CD2-CZ3 3.79Å; H405-W409 AromaticContact CE1-CH2 3.63Å; H405-W409 AromaticContact CE1-CZ3 3.83Å; H405-W409 AromaticContact NE2-CH2 3.57Å; H405-W409 AromaticContact NE2-CZ3 3.64Å; H405-W409 WeakPolarHBondContact O-CZ3 3.47Å; V406-W409 PolarHBondContact O-N 2.98Å
410R82.9Confident85.4Confident75 Ų7540.5 Ų40.528%0.28322%0.221SC..  trans-115.5109.2168-64.1-53.3-158.2176.515.4109R227 D277 N408 P412R227-R410 VanDerWaalsContact NH1-NH1 3.14Å; D277-R410 IonicContact OD1-CZ 2.67Å; D277-R410 IonicContact OD1-NH1 3.5Å; D277-R410 PolarHBondContact OD1-NH1 2.99Å; D277-R410 IonicContact OD1-NH2 3.2Å; D277-R410 PolarHBondContact OD1-NH2 3.05Å; D277-R410 IonicContact OD2-NH1 2.69Å; D277-R410 PolarHBondContact OD2-NH1 2.84Å; N408-R410 PolarHBondContact O-N 3.21Å; N408-R410 VanDerWaalsContact O-N 3.16Å; R410-P412 WeakPolarHBondContact O-CD 3.41Å
411F88.5Confident84.6Confident4 Ų436.6 Ų36.62%0.01820%0.201CC..  trans-77.3123.2175.1-57.5-75.6000109.2Q274 P275 L293 L297 W304 F323 L413 L416Q274-F411 PolarHBondContact NE2-O 3.07Å; P275-F411 HydrophobicContact CG-CE2 3.92Å; L293-F411 HydrophobicContact CD1-CD2 3.84Å; L293-F411 HydrophobicContact CD1-CE2 3.75Å; L293-F411 HydrophobicContact CD2-CE2 4.02Å; L293-F411 HydrophobicContact CG-CE2 4.48Å; L297-F411 HydrophobicContact CD1-CE1 3.94Å; L297-F411 HydrophobicContact CD1-CE2 4.22Å; L297-F411 HydrophobicContact CD1-CZ 3.74Å; L297-F411 HydrophobicContact CD2-CB 4.36Å; L297-F411 HydrophobicContact CD2-CD1 3.69Å; L297-F411 HydrophobicContact CD2-CD2 4.05Å; L297-F411 HydrophobicContact CD2-CE1 3.9Å; L297-F411 HydrophobicContact CD2-CE2 4.25Å; L297-F411 HydrophobicContact CD2-CG 3.76Å; L297-F411 HydrophobicContact CD2-CZ 4.18Å; W304-F411 HydrophobicContact CB-CZ 4.36Å; W304-F411 AromaticContact CD1-CZ 3.67Å; W304-F411 AromaticContact CD2-CZ 3.99Å; W304-F411 HydrophobicContact CD2-CZ 3.99Å; W304-F411 HydrophobicContact CG-CE1 4.29Å; W304-F411 AromaticContact CG-CZ 3.77Å; W304-F411 HydrophobicContact CG-CZ 3.77Å; W304-F411 AromaticContact NE1-CZ 3.87Å; F323-F411 HydrophobicContact CB-CD1 4.33Å; F323-F411 HydrophobicContact CB-CE1 3.97Å; F323-F411 AromaticContact CD1-CD1 4Å; F323-F411 HydrophobicContact CD1-CD1 4Å; F323-F411 HydrophobicContact CD1-CE1 4.23Å; F323-F411 HydrophobicContact CG-CD1 4.24Å; F323-F411 HydrophobicContact CG-CE1 4.35Å; F411-L413 PolarHBondContact O-N 3.33Å; F411-L416 HydrophobicContact CB-CD1 3.64Å; F411-L416 HydrophobicContact CB-CG 4.46Å
412P83.4Confident83.3Confident47 Ų4738.3 Ų38.331%0.30521%0.208SC..  trans-58.8134.3178.8-20.229.7000111.2F323 R410 N414 I415 L416F323-P412 HydrophobicContact CZ-CG 4.05Å; R410-P412 WeakPolarHBondContact O-CD 3.41Å; P412-N414 VanDerWaalsContact C-N 3.34Å; P412-N414 WeakPolarHBondContact CB-OD1 3.26Å; P412-N414 PolarHBondContact O-N 3.27Å; P412-I415 HydrophobicContact CB-CD1 4.29Å; P412-I415 HydrophobicContact CB-CG1 4.06Å; P412-I415 HydrophobicContact CG-CD1 4.06Å; P412-I415 HydrophobicContact CG-CG1 4.38Å; P412-I415 WeakPolarHBondContact O-CG1 3.13Å; P412-L416 WeakPolarHBondContact O-CG 3.41Å
413L80.2Confident81.5Confident6 Ų641.3 Ų41.33%0.03122%0.223CC..Hα-helixtrans-71.4-31.8-176.3-65.7-174.3000112.4D228 L229 P230 Y239 W273 F411 I415 L416 T417D228-L413 WeakPolarHBondContact O-CD1 3.09Å; L229-L413 HydrophobicContact CD2-CB 4.37Å; L229-L413 HydrophobicContact CD2-CD1 4.06Å; L229-L413 HydrophobicContact CD2-CD2 4.07Å; L229-L413 HydrophobicContact CD2-CG 4.41Å; P230-L413 HydrophobicContact CG-CB 4.2Å; Y239-L413 HydrophobicContact CE2-CD1 4.11Å; Y239-L413 WeakPolarHBondContact OH-CD1 3.01Å; Y239-L413 VanDerWaalsContact OH-CG 3.32Å; Y239-L413 WeakPolarHBondContact OH-CG 3.43Å; W273-L413 HydrophobicContact CH2-CD2 3.56Å; W273-L413 HydrophobicContact CZ2-CD2 3.65Å; F411-L413 PolarHBondContact O-N 3.33Å; L413-I415 VanDerWaalsContact C-N 3.29Å; L413-I415 PolarHBondContact O-N 3.37Å; L413-L416 PolarHBondContact O-N 3.25Å; L413-L416 VanDerWaalsContact O-N 3.14Å; L413-T417 WeakPolarHBondContact O-CG2 3.49Å; L413-T417 PolarHBondContact O-N 2.71Å; L413-T417 VanDerWaalsContact O-N 3.14Å
414N80Confident79.2Confident100 Ų10046.6 Ų46.654%0.53525%0.245SC..Hα-helixtrans-62.1-32.6179.163.3-52.6000113.3P412 T417P412-N414 VanDerWaalsContact C-N 3.34Å; P412-N414 WeakPolarHBondContact CB-OD1 3.26Å; P412-N414 PolarHBondContact O-N 3.27Å; N414-T417 PolarHBondContact O-OG1 3.3Å
415I81.3Confident77Confident21 Ų2148.6 Ų48.611%0.10825%0.247CC..Hα-helixtrans-80.8-27.2176.465.6173.9000111.6S300 I302 F323 E325 P412 L413S300-I415 WeakPolarHBondContact CB-O 3.43Å; S300-I415 PolarHBondContact OG-O 3.05Å; I302-I415 HydrophobicContact CD1-CB 4.35Å; I302-I415 HydrophobicContact CD1-CD1 3.41Å; I302-I415 VanDerWaalsContact CD1-CD1 3.41Å; I302-I415 HydrophobicContact CD1-CG1 3.66Å; I302-I415 HydrophobicContact CG1-CD1 4.22Å; F323-I415 HydrophobicContact CD2-CD1 4.43Å; F323-I415 HydrophobicContact CE2-CD1 3.76Å; F323-I415 HydrophobicContact CZ-CD1 4.16Å; E325-I415 HydrophobicContact CG-CD1 4.31Å; P412-I415 HydrophobicContact CB-CD1 4.29Å; P412-I415 HydrophobicContact CB-CG1 4.06Å; P412-I415 HydrophobicContact CG-CD1 4.06Å; P412-I415 HydrophobicContact CG-CG1 4.38Å; P412-I415 WeakPolarHBondContact O-CG1 3.13Å; L413-I415 VanDerWaalsContact C-N 3.29Å; L413-I415 PolarHBondContact O-N 3.37Å
416L83.7Confident74.5Confident19 Ų1953.2 Ų53.210%0.09928%0.28CS..Hα-helixtrans-81.3-16.3-179.2-69.1174000114.4W273 R296 L297 S300 I302 F411 P412 L413 V418W273-L416 HydrophobicContact CH2-CD1 3.29Å; W273-L416 HydrophobicContact CZ2-CD1 4.47Å; W273-L416 HydrophobicContact CZ3-CD1 3.46Å; W273-L416 VanDerWaalsContact CZ3-CD1 3.46Å; R296-L416 HydrophobicContact CB-CD2 4.46Å; L297-L416 HydrophobicContact CD2-CD2 3.66Å; S300-L416 WeakPolarHBondContact OG-CA 3.49Å; S300-L416 PolarHBondContact OG-O 3.26Å; I302-L416 HydrophobicContact CD1-CD2 3.54Å; I302-L416 HydrophobicContact CD1-CG 4.23Å; F411-L416 HydrophobicContact CB-CD1 3.64Å; F411-L416 HydrophobicContact CB-CG 4.46Å; P412-L416 WeakPolarHBondContact O-CG 3.41Å; L413-L416 PolarHBondContact O-N 3.25Å; L413-L416 VanDerWaalsContact O-N 3.14Å; L416-V418 VanDerWaalsContact C-N 3.3Å
417T75.6Confident71.9Confident73 Ų7358 Ų5845%0.44831%0.31SS..SBendtrans-75.8-22.9172.851.60000112R299 L413 N414 D419R299-T417 PolarHBondContact NH2-O 3.41Å; L413-T417 WeakPolarHBondContact O-CG2 3.49Å; L413-T417 PolarHBondContact O-N 2.71Å; L413-T417 VanDerWaalsContact O-N 3.14Å; N414-T417 PolarHBondContact O-OG1 3.3Å; T417-D419 PolarHBondContact O-N 3.39Å
418V78.9Confident69.4Low71 Ų7161 Ų6143%0.4333%0.326SS..SBendtrans-77.1121.1179-175.40000109.7S300 L416 K420S300-V418 WeakPolarHBondContact CA-O 3.48Å; S300-V418 WeakPolarHBondContact CB-O 3.4Å; S300-V418 PolarHBondContact OG-O 3.12Å; L416-V418 VanDerWaalsContact C-N 3.3Å; V418-K420 HydrophobicContact CG1-CG 3.95Å
419D83.8Confident67.2Low33 Ų3365.3 Ų65.318%0.17635%0.349CS..  trans-84.1110.1166.9-160.7-29000108.8R299 T417 T421 F424R299-D419 VanDerWaalsContact CD-OD2 3.26Å; R299-D419 WeakPolarHBondContact CD-OD2 3.38Å; R299-D419 HydrophobicContact CG-CB 4.33Å; R299-D419 VanDerWaalsContact CG-CG 3.45Å; R299-D419 WeakPolarHBondContact CG-OD1 3.34Å; R299-D419 IonicContact CZ-OD2 3.2Å; R299-D419 IonicContact NE-OD2 2.74Å; R299-D419 PolarHBondContact NE-OD2 3.02Å; R299-D419 IonicContact NH1-OD2 3.19Å; R299-D419 PolarHBondContact NH1-OD2 3.04Å; T417-D419 PolarHBondContact O-N 3.39Å; D419-T421 VanDerWaalsContact C-N 3.32Å; D419-T421 WeakPolarHBondContact OD1-CA 3.47Å; D419-T421 VanDerWaalsContact OD1-CB 3.25Å; D419-T421 WeakPolarHBondContact OD1-CB 3.32Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.42Å; D419-T421 PolarHBondContact OD1-N 3.32Å; D419-T421 PolarHBondContact OD1-OG1 3.15Å; D419-F424 HydrophobicContact CB-CD2 4.08Å; D419-F424 HydrophobicContact CB-CE2 4.4Å; D419-F424 WeakPolarHBondContact OD2-CD2 3.41Å; D419-F424 WeakPolarHBondContact OD2-CE2 3.29Å
420K84Confident64.8Low68 Ų6870 Ų7030%0.29638%0.379SS..  trans-95.410.1174.7-61.9-165.1-168.8178.80112R299 S300 F326 V418R299-K420 PolarHBondContact O-N 3.12Å; S300-K420 VanDerWaalsContact O-CD 3.29Å; S300-K420 WeakPolarHBondContact O-CD 3.36Å; S300-K420 WeakPolarHBondContact O-CE 3Å; F326-K420 WeakPolarHBondContact O-CD 3.35Å; F326-K420 PolarHBondContact O-NZ 3.33Å; V418-K420 HydrophobicContact CG1-CG 3.95Å
421T77.6Confident62.2Low11 Ų1173.5 Ų73.57%0.06740%0.404CS..SBendtrans-90.4157.6168.477.70000109.8F46 R299 P372 D419 E423F46-T421 HydrophobicContact CE1-CG2 4.23Å; F46-T421 HydrophobicContact CZ-CG2 3.92Å; R299-T421 HydrophobicContact CB-CG2 4.33Å; R299-T421 HydrophobicContact CG-CG2 3.91Å; P372-T421 HydrophobicContact CB-CG2 3.94Å; P372-T421 HydrophobicContact CG-CG2 4.11Å; D419-T421 VanDerWaalsContact C-N 3.32Å; D419-T421 WeakPolarHBondContact OD1-CA 3.47Å; D419-T421 VanDerWaalsContact OD1-CB 3.25Å; D419-T421 WeakPolarHBondContact OD1-CB 3.32Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.42Å; D419-T421 PolarHBondContact OD1-N 3.32Å; D419-T421 PolarHBondContact OD1-OG1 3.15Å; T421-E423 PolarHBondContact O-N 2.88Å; T421-E423 VanDerWaalsContact O-N 3.15Å; T421-E423 WeakPolarHBondContact OG1-CB 3.4Å; T421-E423 VanDerWaalsContact OG1-CG 3.26Å; T421-E423 WeakPolarHBondContact OG1-CG 3.48Å; T421-E423 PolarHBondContact OG1-N 2.93Å
422N64.5Low59.7Low57 Ų5783.5 Ų83.531%0.30544%0.443SS..G310 helixtrans-74.19.4172.9-78.7-29000113.3Q367 M369 F424 K425Q367-N422 PolarHBondContact O-ND2 3.19Å; M369-N422 HydrophobicContact SD-CB 4.33Å; N422-F424 PolarHBondContact O-N 3.18Å; N422-F424 VanDerWaalsContact O-N 3.17Å; N422-K425 PolarHBondContact O-N 2.86Å
423E56.5Low57.2Low63 Ų6388.2 Ų88.229%0.29447%0.466SS..G310 helixtrans-54.5-38.3-175.9-79.2-172.9179.100112.7R40 F46 T421 S426R40-E423 IonicContact CZ-OE2 3.45Å; R40-E423 IonicContact NH1-OE1 3.4Å; R40-E423 IonicContact NH1-OE2 2.72Å; R40-E423 PolarHBondContact NH1-OE2 3.11Å; F46-E423 VanDerWaalsContact CE1-OE1 3.3Å; F46-E423 WeakPolarHBondContact CE1-OE1 3.43Å; T421-E423 PolarHBondContact O-N 2.88Å; T421-E423 VanDerWaalsContact O-N 3.15Å; T421-E423 WeakPolarHBondContact OG1-CB 3.4Å; T421-E423 VanDerWaalsContact OG1-CG 3.26Å; T421-E423 WeakPolarHBondContact OG1-CG 3.48Å; T421-E423 PolarHBondContact OG1-N 2.93Å; E423-S426 PolarHBondContact O-OG 2.96Å; E423-S426 VanDerWaalsContact O-OG 3.09Å
424F45.7Very low54.9Low124 Ų12496.1 Ų96.154%0.54451%0.508SS..G310 helixtrans-82.4-18.4-176.1-88.2-89000116.1D419 N422 S426 T427D419-F424 HydrophobicContact CB-CD2 4.08Å; D419-F424 HydrophobicContact CB-CE2 4.4Å; D419-F424 WeakPolarHBondContact OD2-CD2 3.41Å; D419-F424 WeakPolarHBondContact OD2-CE2 3.29Å; N422-F424 PolarHBondContact O-N 3.18Å; N422-F424 VanDerWaalsContact O-N 3.17Å; F424-S426 PolarHBondContact O-N 2.66Å; F424-T427 PolarHBondContact O-N 3.01Å; F424-T427 PolarHBondContact O-OG1 3.23Å; F424-T427 VanDerWaalsContact O-OG1 3.05Å
425K44.8Very low52.9Low121 Ų121100.8 Ų100.853%0.52654%0.54SS..G310 helixtrans-67.4-19.8-179.1-74.9-174.6-178.3175.20112.6N422 T427N422-K425 PolarHBondContact O-N 2.86Å; K425-T427 VanDerWaalsContact C-N 3.34Å; K425-T427 PolarHBondContact O-N 3.23Å
426S37.3Very low51.5Low104 Ų104104.8 Ų104.873%0.72756%0.562SS**G310 helixtrans-77-12.8179.266.70000114.9E423 F424E423-S426 PolarHBondContact O-OG 2.96Å; E423-S426 VanDerWaalsContact O-OG 3.09Å; F424-S426 PolarHBondContact O-N 2.66Å
427T36.7Very low49.8Very low103 Ų103109.3 Ų109.363%0.63259%0.586SS**THydrogen-bonded Turntrans-108-5-173.7410000115.5F424 K425F424-T427 PolarHBondContact O-N 3.01Å; F424-T427 PolarHBondContact O-OG1 3.23Å; F424-T427 VanDerWaalsContact O-OG1 3.05Å; K425-T427 VanDerWaalsContact C-N 3.34Å; K425-T427 PolarHBondContact O-N 3.23Å
428V35.8Very low48.3Very low111 Ų111111.3 Ų111.367%0.67359%0.594SS**THydrogen-bonded Turntrans-123.5-10.9-175.1-173.40000113.9T430V428-T430 VanDerWaalsContact C-N 3.28Å; V428-T430 PolarHBondContact O-N 3.19Å
429N28.2Very low46.5Very low142 Ų142113.7 Ų113.776%0.75960%0.603SS**  trans-83.872.6171.1-88.23.3000111.4
430T31.9Very low44.2Very low116 Ų116118.8 Ų118.871%0.71263%0.63SS**  trans-112.434.9153.955.10000110.8V428 Y432V428-T430 VanDerWaalsContact C-N 3.28Å; V428-T430 PolarHBondContact O-N 3.19Å; T430-Y432 PolarHBondContact O-N 3.43Å
431D28.4Very low41.5Very low149 Ų149122.1 Ų122.180%0.79765%0.652SS**  trans-7991.1150.2-75.7-23.1000105.6D433D431-D433 PolarHBondContact O-N 3.08Å
432Y35Very low39Very low214 Ų214130.1 Ų130.184%0.83969%0.694SS**  trans-54.4125156.8-98.2-98.5000106.7T430 D434T430-Y432 PolarHBondContact O-N 3.43Å; Y432-D434 PolarHBondContact O-N 3.48Å
433D31.1Very low37Very low146 Ų146135.7 Ų135.778%0.78172%0.724SS**  trans-48.3111.5165.5-72.1-52.8000109.3D431 V435D431-D433 PolarHBondContact O-N 3.08Å; D433-V435 PolarHBondContact O-N 2.89Å
434D31.5Very low35.4Very low172 Ų172141.8 Ų141.892%0.9276%0.76SS**  trans-70.684.5154.7-88.4-28.8000107.3Y432Y432-D434 PolarHBondContact O-N 3.48Å
435V38.3Very low34.5Very low199 Ų199143.4 Ų143.4100%1.20678%0.779SS**  trans-138.70159.6-1770000110.4D433D433-V435 PolarHBondContact O-N 2.89Å

Retrieved 435 of 435 residues in 254.1 ms (Link to these results)

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