A0A3Q0KRI3_SCHMA Loading...

Putative rnase h (70)

AlphaFold DB (G4VK57), UniProt , Accession A0A3Q0KRI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 710 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
1M34.9Very low36.1Very low167 Ų167122.5 Ų122.582%0.82356%0.56SS**  0123.60-152.7172.1-158.100107E5 I9M1-E5 HydrophobicContact CE-CB 4.28Å; M1-E5 HydrophobicContact CG-CB 3.88Å; M1-I9 HydrophobicContact CE-CD1 3.6Å; M1-I9 HydrophobicContact SD-CD1 4.04Å
2D30.4Very low36.7Very low102 Ų102124.1 Ų124.155%0.54557%0.568SS.*  trans-68.3148.1-177.3-178.712.2000111R4 E5 L6D2-R4 PolarHBondContact O-N 3.46Å; D2-E5 WeakPolarHBondContact O-CB 3.49Å; D2-E5 PolarHBondContact O-N 3.17Å; D2-L6 PolarHBondContact O-N 3.02Å
3F33.1Very low37.2Very low160 Ų160122.5 Ų122.570%0.70257%0.567SS**Hα-helixtrans-53.4-26.6-178.4-123-90.6000113N7F3-N7 PolarHBondContact O-N 3.22Å
4R36Very low37.8Very low209 Ų209128.4 Ų128.479%0.78959%0.59SS**Hα-helixtrans-71.1-40176.3-63.3-179.5-173.8-177.73.7112.9D2 K8D2-R4 PolarHBondContact O-N 3.46Å; R4-K8 PolarHBondContact O-N 2.95Å
5E36.3Very low38.9Very low90 Ų90130.3 Ų130.342%0.42160%0.596SS.*Hα-helixtrans-67.8-37.7174-81-76.5123.100110.9M1 D2 N7 K8 I9M1-E5 HydrophobicContact CE-CB 4.28Å; M1-E5 HydrophobicContact CG-CB 3.88Å; D2-E5 WeakPolarHBondContact O-CB 3.49Å; D2-E5 PolarHBondContact O-N 3.17Å; E5-N7 PolarHBondContact O-N 3.17Å; E5-K8 VanDerWaalsContact O-CB 3.31Å; E5-K8 WeakPolarHBondContact O-CB 3.49Å; E5-K8 PolarHBondContact O-N 3.07Å; E5-K8 VanDerWaalsContact O-N 3.09Å; E5-I9 PolarHBondContact O-N 2.97Å
6L37.6Very low40.3Very low51 Ų51133.4 Ų133.427%0.26761%0.608SS.*Hα-helixtrans-64.2-37.9178.3-147.2113.3000112.6D2 K8 K10D2-L6 PolarHBondContact O-N 3.02Å; L6-K8 VanDerWaalsContact C-N 3.35Å; L6-K10 WeakPolarHBondContact O-CG 3.38Å; L6-K10 PolarHBondContact O-N 3.4Å; L6-K10 VanDerWaalsContact O-N 3.12Å
7N37.4Very low41.9Very low78 Ų78126.8 Ų126.842%0.41758%0.58SS.*Hα-helixtrans-74.1-25.7173.6-84.8-23.1000112.9F3 E5 K11F3-N7 PolarHBondContact O-N 3.22Å; E5-N7 PolarHBondContact O-N 3.17Å; N7-K11 WeakPolarHBondContact O-CB 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.44Å; N7-K11 PolarHBondContact O-N 3.34Å
8K36.5Very low43.6Very low116 Ų116120.9 Ų120.950%0.50455%0.554SS.*Hα-helixtrans-67.7-46.4173-130.4-180179.9-173.90111R4 E5 L6 K10 K11 E12R4-K8 PolarHBondContact O-N 2.95Å; E5-K8 VanDerWaalsContact O-CB 3.31Å; E5-K8 WeakPolarHBondContact O-CB 3.49Å; E5-K8 PolarHBondContact O-N 3.07Å; E5-K8 VanDerWaalsContact O-N 3.09Å; L6-K8 VanDerWaalsContact C-N 3.35Å; K8-K10 VanDerWaalsContact C-N 3.34Å; K8-K10 PolarHBondContact O-N 3.32Å; K8-K11 PolarHBondContact O-N 2.92Å; K8-E12 WeakPolarHBondContact O-CB 3.35Å; K8-E12 WeakPolarHBondContact O-CG 3.5Å; K8-E12 PolarHBondContact O-N 3.38Å
9I41.2Very low45.5Very low78 Ų78114.6 Ų114.640%0.453%0.525SS..Hα-helixtrans-62.4-40.2174.2-63.8171.3000111.4M1 E5 K11 E12 N13M1-I9 HydrophobicContact CE-CD1 3.6Å; M1-I9 HydrophobicContact SD-CD1 4.04Å; E5-I9 PolarHBondContact O-N 2.97Å; I9-K11 VanDerWaalsContact C-N 3.3Å; I9-K11 PolarHBondContact O-N 3Å; I9-E12 PolarHBondContact O-N 3.19Å; I9-N13 PolarHBondContact O-N 2.92Å
10K35.6Very low47.1Very low123 Ų123109.9 Ų109.954%0.53551%0.505SS..Hα-helixtrans-64.1-32.1173.4-78.1-179.2177.9176.50113.3L6 K8L6-K10 WeakPolarHBondContact O-CG 3.38Å; L6-K10 PolarHBondContact O-N 3.4Å; L6-K10 VanDerWaalsContact O-N 3.12Å; K8-K10 VanDerWaalsContact C-N 3.34Å; K8-K10 PolarHBondContact O-N 3.32Å
11K38.4Very low48.6Very low174 Ų174105.2 Ų105.276%0.75748%0.484SS*.Hα-helixtrans-79.1-35.1176.9-81.8-177175.7-176.10112.4N7 K8 I9N7-K11 WeakPolarHBondContact O-CB 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.44Å; N7-K11 PolarHBondContact O-N 3.34Å; K8-K11 PolarHBondContact O-N 2.92Å; I9-K11 VanDerWaalsContact C-N 3.3Å; I9-K11 PolarHBondContact O-N 3Å
12E43.1Very low50.5Low141 Ų141101.1 Ų101.166%0.65946%0.462SS*.Hα-helixtrans-80.5-36.9-178.7-74.2174.8-176.900112.6K8 I9K8-E12 WeakPolarHBondContact O-CB 3.35Å; K8-E12 WeakPolarHBondContact O-CG 3.5Å; K8-E12 PolarHBondContact O-N 3.38Å; I9-E12 PolarHBondContact O-N 3.19Å
13N43.2Very low52.1Low103 Ų10399.3 Ų99.355%0.55145%0.452SS*.  trans-105.291.5175.2-84.4-32000111.5I9 K15I9-N13 PolarHBondContact O-N 2.92Å; N13-K15 PolarHBondContact O-N 3.28Å
14K45.1Very low53.3Low206 Ų206102.6 Ų102.690%0.89646%0.459SS*.  trans-62.22.4175.5-73.9-175.6178.1177.50115.4
15K55Low54.6Low156 Ų15695.6 Ų95.668%0.67844%0.435SS*.SBendtrans-96.5125.9-178.2-69.5-177.5-179.3175.70110.8N13N13-K15 PolarHBondContact O-N 3.28Å
16K60.4Low56Low180 Ų18096.6 Ų96.678%0.78345%0.447SS*.PPolyproline II helixtrans-59.6140.2170.9-72.1-176.8178.4-179.80110I18K16-I18 PolarHBondContact O-N 3.23Å
17P67.9Low57.8Low22 Ų2297.7 Ų97.714%0.14346%0.456CS..PPolyproline II helixtrans-55.1136.317420-31.3000111.8V20 T56 V698 I700P17-V20 HydrophobicContact CB-CG2 3.65Å; P17-V20 HydrophobicContact CG-CG2 3.39Å; P17-T56 VanDerWaalsContact O-CG2 3.3Å; P17-T56 WeakPolarHBondContact O-CG2 3.27Å; P17-T56 PolarHBondContact O-OG1 2.95Å; P17-V698 VanDerWaalsContact CA-CG1 3.4Å; P17-V698 HydrophobicContact CB-CB 4.26Å; P17-V698 HydrophobicContact CB-CG1 3.66Å; P17-V698 VanDerWaalsContact CB-O 3.3Å; P17-V698 WeakPolarHBondContact CB-O 3.44Å; P17-V698 HydrophobicContact CG-CG1 4.49Å; P17-I700 HydrophobicContact CG-CD1 4Å; P17-I700 HydrophobicContact CG-CG1 4.37Å
18I72.7Confident59.8Low21 Ų2194.1 Ų94.111%0.10844%0.437CS..SBendtrans-75.6-39.7172.7-67.9168.7000109.7K16 I55 T56 F60 I61 N657 L694K16-I18 PolarHBondContact O-N 3.23Å; I18-I55 HydrophobicContact CG2-CG2 4.18Å; I18-I55 CarbonylContact O-C 3.5Å; I18-I55 WeakPolarHBondContact O-CA 3.32Å; I18-I55 WeakPolarHBondContact O-CG2 3.37Å; I18-T56 WeakPolarHBondContact CA-OG1 3.23Å; I18-T56 PolarHBondContact O-N 3.25Å; I18-F60 HydrophobicContact CD1-CB 4.22Å; I18-F60 HydrophobicContact CD1-CD1 4.43Å; I18-I61 HydrophobicContact CG2-CG1 4.18Å; I18-N657 VanDerWaalsContact CD1-OD1 3.22Å; I18-N657 WeakPolarHBondContact CD1-OD1 3.42Å; I18-L694 HydrophobicContact CB-CD2 3.53Å; I18-L694 HydrophobicContact CD1-CD2 3.82Å; I18-L694 HydrophobicContact CG1-CD2 4.23Å; I18-L694 HydrophobicContact CG2-CD2 3.73Å
19L79.5Confident61.7Low0 Ų090.2 Ų90.20%042%0.424CS..EExtended strand (participates in β ladder)trans-122.9129.6177.2174.866.6000109.8C53 S54 I55 L659 I692 V699L19-C53 HydrophobicContact CD1-CB 4.03Å; L19-S54 WeakPolarHBondContact CA-O 3.13Å; L19-I55 HydrophobicContact CD1-CD1 4.35Å; L19-I55 HydrophobicContact CD1-CG1 3.79Å; L19-L659 HydrophobicContact CD2-CD1 3.8Å; L19-I692 HydrophobicContact CD2-CD1 4.17Å; L19-I692 HydrophobicContact CD2-CG1 4.25Å; L19-V699 HydrophobicContact CD2-CG2 4.42Å
20V78.3Confident63.3Low21 Ų2186.7 Ų86.713%0.12741%0.407CS..EExtended strand (participates in β ladder)trans-123.8129.5174.3178.50000108.3P17 C53 S54 I700 T702P17-V20 HydrophobicContact CB-CG2 3.65Å; P17-V20 HydrophobicContact CG-CG2 3.39Å; V20-C53 CarbonylContact O-C 3.57Å; V20-C53 WeakPolarHBondContact O-CA 3.34Å; V20-C53 VanDerWaalsContact O-CB 3.25Å; V20-C53 WeakPolarHBondContact O-CB 3.28Å; V20-S54 WeakPolarHBondContact CB-OG 3.43Å; V20-S54 PolarHBondContact N-O 3.29Å; V20-S54 PolarHBondContact O-N 2.78Å; V20-I700 WeakPolarHBondContact CG1-O 2.96Å; V20-T702 HydrophobicContact CG1-CG2 4.48Å
21I77.7Confident65.2Low12 Ų1281.8 Ų81.86%0.06239%0.386CS..EExtended strand (participates in β ladder)trans-98.5127.6175.2-57.4173.3000107.6W52 L93 I692 V699 I700I21-W52 HydrophobicContact CG1-CZ3 4.47Å; I21-W52 HydrophobicContact CG2-CE3 4.26Å; I21-L93 HydrophobicContact CG2-CD1 4.43Å; I21-I692 HydrophobicContact CD1-CG2 3.62Å; I21-V699 HydrophobicContact CD1-CG1 3.78Å; I21-V699 HydrophobicContact CG1-CG1 4Å; I21-I700 PolarHBondContact N-O 3.35Å
22K75.2Confident67.2Low81 Ų8173.5 Ų73.535%0.35235%0.35SS..EExtended strand (participates in β ladder)trans-98.2134.7-178.4-60.1174.4-173.3162.20109.2R24 D51 W52K22-R24 PolarHBondContact O-N 3.41Å; K22-D51 WeakPolarHBondContact CD-O 3.33Å; K22-W52 PolarHBondContact N-O 3.05Å
23D63.9Low69.2Low63 Ų6366.8 Ų66.834%0.33732%0.319SS..THydrogen-bonded Turntrans-7218.8-173.5-115.37.3000115.5Q701 T702 T704D23-Q701 PolarHBondContact OD1-NE2 2.67Å; D23-T702 WeakPolarHBondContact CB-O 3.2Å; D23-T704 HydrophobicContact CB-CG2 3.88Å; D23-T704 PolarHBondContact OD2-N 3.05Å
24R58.6Low70.8Confident229 Ų22962 Ų6286%0.86429%0.293SS*.THydrogen-bonded Turntrans-85.6-21.9-173.7-68.3-170180-169.9-0.9114.5K22K22-R24 PolarHBondContact O-N 3.41Å
25K63.2Low72.5Confident62 Ų6253.2 Ų53.227%0.2726%0.255SS..  trans-129.4110.7-169.9-161.8169.6-172174.50111.3V27 L28 D32 W52K25-V27 WeakPolarHBondContact CE-O 3.21Å; K25-V27 VanDerWaalsContact CG-O 3.29Å; K25-V27 WeakPolarHBondContact CG-O 3.41Å; K25-L28 HydrophobicContact CB-CD2 4.37Å; K25-L28 HydrophobicContact CD-CD2 3.82Å; K25-L28 HydrophobicContact CG-CD2 4.04Å; K25-D32 WeakPolarHBondContact CE-OD2 3.45Å; K25-D32 VanDerWaalsContact NZ-CG 3.31Å; K25-D32 IonicContact NZ-OD1 2.6Å; K25-D32 PolarHBondContact NZ-OD1 3.03Å; K25-D32 IonicContact NZ-OD2 2.66Å; K25-D32 PolarHBondContact NZ-OD2 3.48Å; K25-W52 HydrophobicContact CB-CB 3.84Å; K25-W52 HydrophobicContact CD-CB 4.36Å
26T65Low73.9Confident111 Ų11145.9 Ų45.968%0.68122%0.223SC*.SBendtrans-85.4-24-179.554.70000113.2K94T26-K94 PolarHBondContact O-N 3.45Å; T26-K94 VanDerWaalsContact O-N 3.07Å
27V75.6Confident74.9Confident75 Ų7537.4 Ų37.446%0.45519%0.186SC..EExtended strand (participates in β ladder)trans-125.7118.8177.9-171.30000109.7K25 K94K25-V27 WeakPolarHBondContact CE-O 3.21Å; K25-V27 VanDerWaalsContact CG-O 3.29Å; K25-V27 WeakPolarHBondContact CG-O 3.41Å; V27-K94 CarbonylContact C-O 3.58Å; V27-K94 VanDerWaalsContact CA-O 3.27Å; V27-K94 WeakPolarHBondContact CA-O 3.01Å; V27-K94 HydrophobicContact CB-CB 4.41Å; V27-K94 HydrophobicContact CG1-CB 4.29Å; V27-K94 HydrophobicContact CG2-CB 4.05Å; V27-K94 HydrophobicContact CG2-CD 4.42Å
28L79.1Confident75.4Confident2 Ų236.3 Ų36.31%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-93.5146.5173.4-61.1-171.5000110.7K25 D32 W52 L93 K94 V95 L96 F690K25-L28 HydrophobicContact CB-CD2 4.37Å; K25-L28 HydrophobicContact CD-CD2 3.82Å; K25-L28 HydrophobicContact CG-CD2 4.04Å; L28-D32 HydrophobicContact CB-CB 4.3Å; L28-D32 HydrophobicContact CD2-CB 4.34Å; L28-W52 HydrophobicContact CD1-CD2 4.07Å; L28-W52 HydrophobicContact CD1-CE3 4.25Å; L28-W52 HydrophobicContact CD1-CH2 4.01Å; L28-W52 HydrophobicContact CD1-CZ2 3.8Å; L28-W52 HydrophobicContact CD1-CZ3 4.23Å; L28-W52 HydrophobicContact CD2-CB 4.08Å; L28-W52 HydrophobicContact CD2-CD2 3.68Å; L28-W52 HydrophobicContact CD2-CE3 4.35Å; L28-W52 HydrophobicContact CD2-CG 3.51Å; L28-L93 HydrophobicContact CD1-CB 4.15Å; L28-L93 HydrophobicContact CD1-CD1 3.63Å; L28-L93 HydrophobicContact CG-CB 4.21Å; L28-L93 HydrophobicContact CG-CD1 4.17Å; L28-K94 PolarHBondContact N-O 3.29Å; L28-V95 HydrophobicContact CB-CG2 3.74Å; L28-V95 HydrophobicContact CD1-CG2 4.42Å; L28-V95 WeakPolarHBondContact O-CA 3.3Å; L28-L96 PolarHBondContact O-N 2.67Å; L28-F690 HydrophobicContact CD1-CD1 3.75Å; L28-F690 HydrophobicContact CD1-CE1 4.1Å
29S76.5Confident75.6Confident35 Ų3535.4 Ų35.425%0.24518%0.175CC..  trans-89.2161.3165.960.70000110.5L31 D32 I33S29-L31 PolarHBondContact O-N 3.36Å; S29-D32 PolarHBondContact N-OD2 2.8Å; S29-D32 WeakPolarHBondContact O-CB 3.18Å; S29-D32 PolarHBondContact O-N 2.96Å; S29-D32 PolarHBondContact OG-N 2.96Å; S29-D32 PolarHBondContact OG-OD2 2.8Å; S29-I33 PolarHBondContact O-N 3.41Å
30A74.4Confident75.7Confident4 Ų435.4 Ų35.43%0.03318%0.175CC..Hα-helixtrans-57.8-34.7170.800000112D32 I33 Q34 P98 W105 E108A30-D32 PolarHBondContact O-N 3.26Å; A30-I33 WeakPolarHBondContact O-CB 3.43Å; A30-I33 PolarHBondContact O-N 3.22Å; A30-I33 VanDerWaalsContact O-N 3.07Å; A30-Q34 PolarHBondContact O-N 3.39Å; A30-P98 HydrophobicContact CB-CG 4.18Å; A30-W105 HydrophobicContact CB-CH2 4.05Å; A30-W105 HydrophobicContact CB-CZ3 3.7Å; A30-E108 HydrophobicContact CB-CG 3.5Å; A30-E108 VanDerWaalsContact CB-CG 3.5Å
31L76.8Confident75.7Confident19 Ų1934.8 Ų34.810%0.09917%0.17CC..Hα-helixtrans-56.2-32.6170.7-72.4150.5000113.5S29 Q34 K35 P113 F116 L499 Y503S29-L31 PolarHBondContact O-N 3.36Å; L31-Q34 PolarHBondContact O-N 3.24Å; L31-K35 WeakPolarHBondContact O-CG 3.22Å; L31-K35 PolarHBondContact O-N 2.84Å; L31-P113 HydrophobicContact CD2-CG 3.48Å; L31-P113 VanDerWaalsContact CD2-CG 3.48Å; L31-F116 HydrophobicContact CD2-CE2 4.29Å; L31-F116 HydrophobicContact CD2-CZ 4.11Å; L31-L499 HydrophobicContact CD1-CD2 3.77Å; L31-Y503 HydrophobicContact CD2-CE1 4.5Å
32D81.1Confident75.4Confident1 Ų134.2 Ų34.21%0.00517%0.168CC..Hα-helixtrans-73-32.6178.1-65.3-47.1000112K25 L28 S29 A30 K35 L36K25-D32 WeakPolarHBondContact CE-OD2 3.45Å; K25-D32 VanDerWaalsContact NZ-CG 3.31Å; K25-D32 IonicContact NZ-OD1 2.6Å; K25-D32 PolarHBondContact NZ-OD1 3.03Å; K25-D32 IonicContact NZ-OD2 2.66Å; K25-D32 PolarHBondContact NZ-OD2 3.48Å; L28-D32 HydrophobicContact CB-CB 4.3Å; L28-D32 HydrophobicContact CD2-CB 4.34Å; S29-D32 PolarHBondContact N-OD2 2.8Å; S29-D32 WeakPolarHBondContact O-CB 3.18Å; S29-D32 PolarHBondContact O-N 2.96Å; S29-D32 PolarHBondContact OG-N 2.96Å; S29-D32 PolarHBondContact OG-OD2 2.8Å; A30-D32 PolarHBondContact O-N 3.26Å; D32-K35 IonicContact OD1-NZ 3.08Å; D32-K35 PolarHBondContact OD1-NZ 3.47Å; D32-L36 PolarHBondContact O-N 3.22Å
33I83.7Confident75.4Confident0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-70.2-41.9171.5-60.2173.6000109.7S29 A30 K35 L36 L37 L66 V95 W105 I663 F690S29-I33 PolarHBondContact O-N 3.41Å; A30-I33 WeakPolarHBondContact O-CB 3.43Å; A30-I33 PolarHBondContact O-N 3.22Å; A30-I33 VanDerWaalsContact O-N 3.07Å; I33-K35 PolarHBondContact O-N 3.28Å; I33-L36 WeakPolarHBondContact O-CB 3.49Å; I33-L36 PolarHBondContact O-N 3.13Å; I33-L37 HydrophobicContact CG2-CD1 4.25Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.43Å; I33-L37 PolarHBondContact O-N 3.44Å; I33-L66 HydrophobicContact CG2-CD1 4.49Å; I33-V95 HydrophobicContact CD1-CG1 4.08Å; I33-V95 HydrophobicContact CD1-CG2 4.05Å; I33-W105 HydrophobicContact CD1-CH2 3.87Å; I33-W105 HydrophobicContact CD1-CZ3 3.93Å; I33-I663 HydrophobicContact CD1-CD1 4.1Å; I33-F690 HydrophobicContact CD1-CD1 4.47Å; I33-F690 HydrophobicContact CD1-CD2 4.27Å; I33-F690 HydrophobicContact CD1-CE1 4.46Å; I33-F690 HydrophobicContact CD1-CE2 4.25Å; I33-F690 HydrophobicContact CD1-CG 4.33Å; I33-F690 HydrophobicContact CD1-CZ 4.33Å; I33-F690 HydrophobicContact CG1-CE1 4.21Å; I33-F690 HydrophobicContact CG1-CZ 4.22Å
34Q77.9Confident75.7Confident2 Ų234.8 Ų34.81%0.00917%0.174CC..Hα-helixtrans-56.9-45.3173.9-69.6167.314.300112.5A30 L31 L36 L37 G38 E108A30-Q34 PolarHBondContact O-N 3.39Å; L31-Q34 PolarHBondContact O-N 3.24Å; Q34-L36 VanDerWaalsContact C-N 3.3Å; Q34-L36 PolarHBondContact O-N 3.03Å; Q34-L37 PolarHBondContact O-N 3.4Å; Q34-G38 PolarHBondContact O-N 2.91Å; Q34-E108 PolarHBondContact NE2-O 3.33Å; Q34-E108 PolarHBondContact NE2-OE1 3.08Å
35K79.2Confident76.3Confident22 Ų2224.5 Ų24.510%0.09614%0.136CC..Hα-helixtrans-59.3-42.7177.1-70170.8-158.8153.40111.9L31 D32 I33 L39 F116L31-K35 WeakPolarHBondContact O-CG 3.22Å; L31-K35 PolarHBondContact O-N 2.84Å; D32-K35 IonicContact OD1-NZ 3.08Å; D32-K35 PolarHBondContact OD1-NZ 3.47Å; I33-K35 PolarHBondContact O-N 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.24Å; K35-L39 PolarHBondContact O-N 3.29Å; K35-L39 VanDerWaalsContact O-N 3.08Å; K35-F116 HydrophobicContact CD-CE1 4.44Å; K35-F116 HydrophobicContact CD-CE2 4.16Å; K35-F116 HydrophobicContact CD-CZ 4Å; K35-F116 HydrophobicContact CG-CD2 3.67Å; K35-F116 HydrophobicContact CG-CE1 4.26Å; K35-F116 HydrophobicContact CG-CE2 3.3Å; K35-F116 HydrophobicContact CG-CG 4.31Å; K35-F116 HydrophobicContact CG-CZ 3.65Å
36L84.5Confident76.7Confident2 Ų221.9 Ų21.91%0.0112%0.124CC..Hα-helixtrans-60.4-50.2176.1166.869000110.7D32 I33 Q34 L39 T40 W52 I55 L659 I692D32-L36 PolarHBondContact O-N 3.22Å; I33-L36 WeakPolarHBondContact O-CB 3.49Å; I33-L36 PolarHBondContact O-N 3.13Å; Q34-L36 VanDerWaalsContact C-N 3.3Å; Q34-L36 PolarHBondContact O-N 3.03Å; L36-L39 PolarHBondContact O-N 3.14Å; L36-T40 HydrophobicContact CD1-CG2 4.14Å; L36-T40 WeakPolarHBondContact O-CB 3.08Å; L36-T40 VanDerWaalsContact O-CG2 3.25Å; L36-T40 WeakPolarHBondContact O-CG2 3.5Å; L36-T40 PolarHBondContact O-N 2.68Å; L36-T40 VanDerWaalsContact O-N 3.1Å; L36-T40 PolarHBondContact O-OG1 3.22Å; L36-W52 HydrophobicContact CB-CZ2 4.28Å; L36-W52 HydrophobicContact CD2-CH2 3.95Å; L36-W52 HydrophobicContact CD2-CZ2 4.08Å; L36-I55 HydrophobicContact CD1-CD1 3.65Å; L36-L659 HydrophobicContact CD1-CD2 4.42Å; L36-I692 HydrophobicContact CD2-CD1 3.23Å; L36-I692 HydrophobicContact CG-CD1 4.47Å
37L82.7Confident76.9Confident1 Ų120.7 Ų20.71%0.00512%0.117CC..Hα-helixtrans-61.3-48.2178.1-66.3176.1000112I33 Q34 L39 T40 I41 I64 L66 I109 F513 L623I33-L37 HydrophobicContact CG2-CD1 4.25Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.43Å; I33-L37 PolarHBondContact O-N 3.44Å; Q34-L37 PolarHBondContact O-N 3.4Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 2.82Å; L37-T40 WeakPolarHBondContact CA-OG1 3.47Å; L37-T40 PolarHBondContact O-N 3.02Å; L37-T40 VanDerWaalsContact O-N 3.15Å; L37-T40 PolarHBondContact O-OG1 3.24Å; L37-I41 VanDerWaalsContact O-CG1 3.32Å; L37-I41 WeakPolarHBondContact O-CG1 3.22Å; L37-I41 PolarHBondContact O-N 3.32Å; L37-I64 HydrophobicContact CD2-CD1 4.32Å; L37-I64 HydrophobicContact CD2-CG2 3.67Å; L37-L66 HydrophobicContact CD1-CD1 3.74Å; L37-L66 HydrophobicContact CD2-CD1 3.91Å; L37-L66 HydrophobicContact CD2-CG 4.33Å; L37-L66 HydrophobicContact CG-CD1 4.32Å; L37-I109 HydrophobicContact CD1-CD1 4.18Å; L37-I109 HydrophobicContact CD1-CG1 4.16Å; L37-I109 HydrophobicContact CD1-CG2 3.56Å; L37-F513 HydrophobicContact CB-CE2 4.1Å; L37-F513 HydrophobicContact CB-CZ 3.96Å; L37-F513 HydrophobicContact CD1-CZ 4.19Å; L37-L623 HydrophobicContact CD2-CD1 4.35Å
38G77.9Confident76.5Confident0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-56.3-44.4179.200000113.5Q34 F42 F46Q34-G38 PolarHBondContact O-N 2.91Å; G38-F42 CarbonylContact O-C 3.57Å; G38-F42 VanDerWaalsContact O-C 3.25Å; G38-F42 VanDerWaalsContact O-CA 3.29Å; G38-F42 WeakPolarHBondContact O-CA 3.2Å; G38-F42 PolarHBondContact O-N 2.98Å; G38-F46 VanDerWaalsContact C-CD2 3.5Å; G38-F46 VanDerWaalsContact CA-CE1 3.47Å; G38-F46 VanDerWaalsContact O-CD2 3.28Å; G38-F46 WeakPolarHBondContact O-CD2 3.24Å
39L76.8Confident76.1Confident2 Ų227.8 Ų27.81%0.0114%0.138CC..Hα-helixtrans-74.4-26.8178.3-78.5167.1000114.4K35 L36 L37 P43 F46 K48 W49 P50 P58K35-L39 WeakPolarHBondContact O-CB 3.24Å; K35-L39 PolarHBondContact O-N 3.29Å; K35-L39 VanDerWaalsContact O-N 3.08Å; L36-L39 PolarHBondContact O-N 3.14Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 2.82Å; L39-P43 WeakPolarHBondContact O-CB 3.47Å; L39-P43 WeakPolarHBondContact O-CD 3.42Å; L39-F46 HydrophobicContact CD2-CB 3.64Å; L39-F46 HydrophobicContact CG-CB 3.89Å; L39-K48 VanDerWaalsContact CD1-O 3.31Å; L39-K48 WeakPolarHBondContact CD1-O 3.31Å; L39-W49 VanDerWaalsContact CD1-CA 3.43Å; L39-W49 HydrophobicContact CD1-CB 4.02Å; L39-W49 HydrophobicContact CD1-CD2 3.52Å; L39-W49 HydrophobicContact CD1-CE3 3.68Å; L39-W49 HydrophobicContact CD1-CG 3.69Å; L39-W49 HydrophobicContact CD1-CZ3 4.35Å; L39-W49 HydrophobicContact CD2-CD2 4.21Å; L39-W49 HydrophobicContact CD2-CZ2 4.13Å; L39-W49 HydrophobicContact CG-CD2 4.47Å; L39-P50 VanDerWaalsContact CD1-CD 3.46Å; L39-P58 VanDerWaalsContact O-CB 3.28Å; L39-P58 WeakPolarHBondContact O-CB 3.35Å
40T81Confident76.1Confident0 Ų026.3 Ų26.30%013%0.128CC..Hα-helixtrans-80.5-32.8178.647.20000112.2L36 L37 I55 I61 I64 R622 L659L36-T40 HydrophobicContact CD1-CG2 4.14Å; L36-T40 WeakPolarHBondContact O-CB 3.08Å; L36-T40 VanDerWaalsContact O-CG2 3.25Å; L36-T40 WeakPolarHBondContact O-CG2 3.5Å; L36-T40 PolarHBondContact O-N 2.68Å; L36-T40 VanDerWaalsContact O-N 3.1Å; L36-T40 PolarHBondContact O-OG1 3.22Å; L37-T40 WeakPolarHBondContact CA-OG1 3.47Å; L37-T40 PolarHBondContact O-N 3.02Å; L37-T40 VanDerWaalsContact O-N 3.15Å; L37-T40 PolarHBondContact O-OG1 3.24Å; T40-I55 HydrophobicContact CG2-CD1 3.26Å; T40-I61 HydrophobicContact CG2-CD1 3.52Å; T40-I64 WeakPolarHBondContact OG1-CD1 3.14Å; T40-R622 PolarHBondContact O-NH2 2.98Å; T40-L659 HydrophobicContact CG2-CD2 4.23Å
41I77.9Confident76.2Confident7 Ų730.7 Ų30.74%0.03615%0.15CC..Hα-helixtrans-90.3-43.8179.2-55.2172.9000111L37 I64 F513 I522 L623L37-I41 VanDerWaalsContact O-CG1 3.32Å; L37-I41 WeakPolarHBondContact O-CG1 3.22Å; L37-I41 PolarHBondContact O-N 3.32Å; I41-I64 HydrophobicContact CD1-CD1 3.86Å; I41-I64 HydrophobicContact CG1-CD1 3.32Å; I41-F513 HydrophobicContact CD1-CE1 4.34Å; I41-F513 HydrophobicContact CD1-CE2 3.9Å; I41-F513 HydrophobicContact CD1-CZ 3.39Å; I41-I522 HydrophobicContact CG2-CD1 3.53Å; I41-I522 HydrophobicContact CG2-CG2 4.29Å; I41-L623 HydrophobicContact CD1-CB 4.32Å; I41-L623 HydrophobicContact CD1-CD2 4.13Å
42F73.1Confident76.4Confident1 Ų129.8 Ų29.80%0.00415%0.146CC..  trans-131.358.6-172.2-54.8-71.1000113.2G38 Q44 H45 F46 I131 L516 L517 S520 I522G38-F42 CarbonylContact O-C 3.57Å; G38-F42 VanDerWaalsContact O-C 3.25Å; G38-F42 VanDerWaalsContact O-CA 3.29Å; G38-F42 WeakPolarHBondContact O-CA 3.2Å; G38-F42 PolarHBondContact O-N 2.98Å; F42-Q44 PolarHBondContact O-N 2.8Å; F42-H45 HydrophobicContact CB-CB 4.1Å; F42-H45 PolarHBondContact O-N 3.21Å; F42-F46 HydrophobicContact CB-CD2 3.93Å; F42-F46 HydrophobicContact CB-CE2 4.14Å; F42-F46 HydrophobicContact CD2-CE2 4.28Å; F42-F46 PolarHBondContact O-N 2.93Å; F42-F46 VanDerWaalsContact O-N 3.12Å; F42-I131 HydrophobicContact CD1-CD1 4.43Å; F42-L516 HydrophobicContact CD1-CD2 4.47Å; F42-L516 HydrophobicContact CD2-CB 4.08Å; F42-L516 HydrophobicContact CD2-CD1 4.01Å; F42-L516 HydrophobicContact CD2-CD2 4.18Å; F42-L516 HydrophobicContact CD2-CG 4.33Å; F42-L516 HydrophobicContact CE1-CB 4.37Å; F42-L516 HydrophobicContact CE2-CB 3.46Å; F42-L516 VanDerWaalsContact CE2-CB 3.46Å; F42-L516 HydrophobicContact CE2-CD1 4.15Å; F42-L516 HydrophobicContact CE2-CD2 4.36Å; F42-L516 HydrophobicContact CE2-CG 4.19Å; F42-L516 HydrophobicContact CG-CD2 4.24Å; F42-L516 HydrophobicContact CZ-CB 3.63Å; F42-L516 WeakPolarHBondContact CZ-O 3.38Å; F42-L517 HydrophobicContact CZ-CD2 4.38Å; F42-S520 WeakPolarHBondContact CE1-OG 3.3Å; F42-S520 WeakPolarHBondContact CZ-OG 3.44Å; F42-I522 HydrophobicContact CD1-CD1 4.22Å; F42-I522 HydrophobicContact CE1-CD1 3.42Å; F42-I522 VanDerWaalsContact CE1-CD1 3.42Å; F42-I522 HydrophobicContact CE1-CG1 4.4Å; F42-I522 HydrophobicContact CZ-CD1 3.76Å
43P74.4Confident76.3Confident50 Ų5029.9 Ų29.933%0.32515%0.146SC..THydrogen-bonded Turntrans-56.1-28.4-177.623-33.4000113.7L39 P58L39-P43 WeakPolarHBondContact O-CB 3.47Å; L39-P43 WeakPolarHBondContact O-CD 3.42Å; P43-P58 HydrophobicContact CB-CB 4.22Å; P43-P58 HydrophobicContact CB-CG 4.41Å; P43-P58 HydrophobicContact CG-CB 4.36Å
44Q69.8Low76Confident105 Ų10531.7 Ų31.749%0.49116%0.159SC..THydrogen-bonded Turntrans-77.8-18.6177.973.7-77.66.100114.2F42 T118F42-Q44 PolarHBondContact O-N 2.8Å; Q44-T118 VanDerWaalsContact O-CG2 3.26Å; Q44-T118 WeakPolarHBondContact O-CG2 3.12Å
45H72.4Confident75.9Confident14 Ų1432 Ų327%0.06516%0.161CC..THydrogen-bonded Turntrans-106.7-8.6-179.7-59-64.9000112.7F42 L117 T118 A121 I131F42-H45 HydrophobicContact CB-CB 4.1Å; F42-H45 PolarHBondContact O-N 3.21Å; H45-L117 CarbonylContact O-C 3.57Å; H45-L117 WeakPolarHBondContact O-CA 3.41Å; H45-T118 PolarHBondContact O-N 3.33Å; H45-A121 HydrophobicContact CB-CB 3.85Å; H45-I131 VanDerWaalsContact CD2-CD1 3.45Å; H45-I131 WeakPolarHBondContact CD2-CD1 3.27Å; H45-I131 PolarHBondContact CE1-O 2.91Å; H45-I131 VanDerWaalsContact CE1-O 3.29Å; H45-I131 WeakPolarHBondContact NE2-CD1 3.22Å
46F71.8Confident75.6Confident7 Ų734.7 Ų34.73%0.03118%0.179CC..BIsolated β-bridgetrans-107.7131.5177.4-82.8-107.7000112.3G38 L39 F42 V112 F116 L117 L516G38-F46 VanDerWaalsContact C-CD2 3.5Å; G38-F46 VanDerWaalsContact CA-CE1 3.47Å; G38-F46 VanDerWaalsContact O-CD2 3.28Å; G38-F46 WeakPolarHBondContact O-CD2 3.24Å; L39-F46 HydrophobicContact CD2-CB 3.64Å; L39-F46 HydrophobicContact CG-CB 3.89Å; F42-F46 HydrophobicContact CB-CD2 3.93Å; F42-F46 HydrophobicContact CB-CE2 4.14Å; F42-F46 HydrophobicContact CD2-CE2 4.28Å; F42-F46 PolarHBondContact O-N 2.93Å; F42-F46 VanDerWaalsContact O-N 3.12Å; F46-V112 HydrophobicContact CE1-CG1 3.56Å; F46-V112 HydrophobicContact CZ-CB 4.46Å; F46-V112 HydrophobicContact CZ-CG1 3.57Å; F46-V112 HydrophobicContact CZ-CG2 4.17Å; F46-F116 CarbonylContact C-O 3.55Å; F46-F116 WeakPolarHBondContact CA-O 3.39Å; F46-F116 HydrophobicContact CD1-CB 3.81Å; F46-F116 HydrophobicContact CE1-CB 3.85Å; F46-F116 HydrophobicContact CE1-CD2 4.35Å; F46-L117 HydrophobicContact CD2-CD2 4.41Å; F46-L117 HydrophobicContact CE2-CD2 4.1Å; F46-L117 HydrophobicContact CZ-CD2 4.19Å; F46-L516 HydrophobicContact CE2-CD1 3.86Å; F46-L516 HydrophobicContact CZ-CD1 4.21Å
47V67.4Low75.1Confident86 Ų8639.4 Ų39.452%0.52120%0.2SC..  trans-97.7-29.5-177.8-179.40000112.1F116 L117 T118V47-F116 PolarHBondContact N-O 3.45Å; V47-L117 VanDerWaalsContact CG2-O 3.3Å; V47-L117 WeakPolarHBondContact CG2-O 3.47Å; V47-T118 HydrophobicContact CG2-CG2 3.59Å
48K67.9Low74.9Confident107 Ų10740.1 Ų40.147%0.46520%0.204SC..  trans-105.7117.3-167.7-164.6171.8-175.5176.30113L39 F116L39-K48 VanDerWaalsContact CD1-O 3.31Å; L39-K48 WeakPolarHBondContact CD1-O 3.31Å; K48-F116 HydrophobicContact CB-CD1 4.3Å; K48-F116 HydrophobicContact CD-CD1 4.16Å; K48-F116 HydrophobicContact CD-CE1 4.12Å
49W71.5Confident74.7Confident118 Ų11844.4 Ų44.445%0.44723%0.234SC..  trans-79.1141.2175.4-67.977.5000113.2L39 D51 I55 P58L39-W49 VanDerWaalsContact CD1-CA 3.43Å; L39-W49 HydrophobicContact CD1-CB 4.02Å; L39-W49 HydrophobicContact CD1-CD2 3.52Å; L39-W49 HydrophobicContact CD1-CE3 3.68Å; L39-W49 HydrophobicContact CD1-CG 3.69Å; L39-W49 HydrophobicContact CD1-CZ3 4.35Å; L39-W49 HydrophobicContact CD2-CD2 4.21Å; L39-W49 HydrophobicContact CD2-CZ2 4.13Å; L39-W49 HydrophobicContact CG-CD2 4.47Å; W49-D51 PolarHBondContact O-N 2.95Å; W49-I55 HydrophobicContact CZ3-CB 3.91Å; W49-I55 HydrophobicContact CZ3-CG1 4.42Å; W49-I55 WeakPolarHBondContact CZ3-O 3.03Å; W49-P58 HydrophobicContact CH2-CG 3.52Å; W49-P58 HydrophobicContact CZ2-CG 4.42Å; W49-P58 HydrophobicContact CZ3-CG 4.22Å
50P76.6Confident74.7Confident4 Ų448.9 Ų48.93%0.02625%0.254CS..  trans-58.1131.3163.825.2-32.8000108.9L39 W52 C53L39-P50 VanDerWaalsContact CD1-CD 3.46Å; P50-W52 VanDerWaalsContact C-N 3.34Å; P50-W52 HydrophobicContact CB-CG 4.41Å; P50-W52 VanDerWaalsContact CB-NE1 3.33Å; P50-C53 WeakPolarHBondContact CG-SG 3.21Å
51D76.2Confident74.8Confident96 Ų9648.9 Ų48.951%0.51325%0.254SS..SBendtrans-76.2-24.9179.253.4-7.9000112.6K22 W49K22-D51 WeakPolarHBondContact CD-O 3.33Å; W49-D51 PolarHBondContact O-N 2.95Å
52W79.7Confident75.1Confident1 Ų153.8 Ų53.80%0.00428%0.275CS..SBendtrans-84-10.1-179.865.7-90.5000114.2I21 K22 K25 L28 L36 P50 L93 F690 I692I21-W52 HydrophobicContact CG1-CZ3 4.47Å; I21-W52 HydrophobicContact CG2-CE3 4.26Å; K22-W52 PolarHBondContact N-O 3.05Å; K25-W52 HydrophobicContact CB-CB 3.84Å; K25-W52 HydrophobicContact CD-CB 4.36Å; L28-W52 HydrophobicContact CD1-CD2 4.07Å; L28-W52 HydrophobicContact CD1-CE3 4.25Å; L28-W52 HydrophobicContact CD1-CH2 4.01Å; L28-W52 HydrophobicContact CD1-CZ2 3.8Å; L28-W52 HydrophobicContact CD1-CZ3 4.23Å; L28-W52 HydrophobicContact CD2-CB 4.08Å; L28-W52 HydrophobicContact CD2-CD2 3.68Å; L28-W52 HydrophobicContact CD2-CE3 4.35Å; L28-W52 HydrophobicContact CD2-CG 3.51Å; L36-W52 HydrophobicContact CB-CZ2 4.28Å; L36-W52 HydrophobicContact CD2-CH2 3.95Å; L36-W52 HydrophobicContact CD2-CZ2 4.08Å; P50-W52 VanDerWaalsContact C-N 3.34Å; P50-W52 HydrophobicContact CB-CG 4.41Å; P50-W52 VanDerWaalsContact CB-NE1 3.33Å; W52-L93 HydrophobicContact CE3-CD1 3.83Å; W52-L93 HydrophobicContact CZ3-CD1 3.72Å; W52-F690 HydrophobicContact CH2-CE1 4.06Å; W52-I692 HydrophobicContact CH2-CD1 4.11Å; W52-I692 HydrophobicContact CH2-CG2 4.5Å; W52-I692 HydrophobicContact CZ3-CG2 4.32Å
53C80.9Confident75.8Confident2 Ų254.5 Ų54.51%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-141.4171.3172.771.60000112.3L19 V20 P50L19-C53 HydrophobicContact CD1-CB 4.03Å; V20-C53 CarbonylContact O-C 3.57Å; V20-C53 WeakPolarHBondContact O-CA 3.34Å; V20-C53 VanDerWaalsContact O-CB 3.25Å; V20-C53 WeakPolarHBondContact O-CB 3.28Å; P50-C53 WeakPolarHBondContact CG-SG 3.21Å
54S77.3Confident76.5Confident38 Ų3852.1 Ų52.127%0.26626%0.263SS..EExtended strand (participates in β ladder)trans-140.9135.8170.156.80000110L19 V20L19-S54 WeakPolarHBondContact CA-O 3.13Å; V20-S54 WeakPolarHBondContact CB-OG 3.43Å; V20-S54 PolarHBondContact N-O 3.29Å; V20-S54 PolarHBondContact O-N 2.78Å
55I75.5Confident77.4Confident10 Ų1047.1 Ų47.15%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-114.6117.2177.2-47.9179.6000108.1I18 L19 L36 T40 W49 P58 I61I18-I55 HydrophobicContact CG2-CG2 4.18Å; I18-I55 CarbonylContact O-C 3.5Å; I18-I55 WeakPolarHBondContact O-CA 3.32Å; I18-I55 WeakPolarHBondContact O-CG2 3.37Å; L19-I55 HydrophobicContact CD1-CD1 4.35Å; L19-I55 HydrophobicContact CD1-CG1 3.79Å; L36-I55 HydrophobicContact CD1-CD1 3.65Å; T40-I55 HydrophobicContact CG2-CD1 3.26Å; W49-I55 HydrophobicContact CZ3-CB 3.91Å; W49-I55 HydrophobicContact CZ3-CG1 4.42Å; W49-I55 WeakPolarHBondContact CZ3-O 3.03Å; I55-P58 HydrophobicContact CB-CG 4.27Å; I55-P58 HydrophobicContact CG2-CB 4.39Å; I55-P58 HydrophobicContact CG2-CG 4.09Å; I55-I61 HydrophobicContact CD1-CD1 4.08Å; I55-I61 HydrophobicContact CG2-CD1 3.83Å
56T72.3Confident78.2Confident77 Ų7746.7 Ų46.747%0.47224%0.238SC..SBendtrans-74.5-33.6-175.254.60000112.3P17 I18P17-T56 VanDerWaalsContact O-CG2 3.3Å; P17-T56 WeakPolarHBondContact O-CG2 3.27Å; P17-T56 PolarHBondContact O-OG1 2.95Å; I18-T56 WeakPolarHBondContact CA-OG1 3.23Å; I18-T56 PolarHBondContact O-N 3.25Å
57K74.4Confident78.8Confident102 Ų10246.3 Ų46.344%0.44324%0.236SC..  trans-14287.1176.4-62.1-170.1-176.6-176.70110.9S59 F60K57-S59 PolarHBondContact O-N 2.8Å; K57-F60 HydrophobicContact CB-CB 4.04Å; K57-F60 HydrophobicContact CB-CD2 3.63Å; K57-F60 HydrophobicContact CB-CE2 4.28Å; K57-F60 HydrophobicContact CB-CG 3.8Å; K57-F60 HydrophobicContact CD-CD1 4.06Å; K57-F60 HydrophobicContact CD-CD2 3.61Å; K57-F60 HydrophobicContact CD-CE1 3.86Å; K57-F60 HydrophobicContact CD-CE2 3.4Å; K57-F60 VanDerWaalsContact CD-CE2 3.4Å; K57-F60 HydrophobicContact CD-CG 3.96Å; K57-F60 HydrophobicContact CD-CZ 3.54Å; K57-F60 HydrophobicContact CG-CD2 4.26Å; K57-F60 HydrophobicContact CG-CE2 4.45Å; K57-F60 WeakPolarHBondContact O-CB 3.27Å; K57-F60 PolarHBondContact O-N 3.01Å
58P77.6Confident79.6Confident16 Ų1642.6 Ų42.610%0.10421%0.213CC..G310 helixtrans-56.2-35.9179.1-25.133.2000113.7L39 P43 W49 I55 F60 I61L39-P58 VanDerWaalsContact O-CB 3.28Å; L39-P58 WeakPolarHBondContact O-CB 3.35Å; P43-P58 HydrophobicContact CB-CB 4.22Å; P43-P58 HydrophobicContact CB-CG 4.41Å; P43-P58 HydrophobicContact CG-CB 4.36Å; W49-P58 HydrophobicContact CH2-CG 3.52Å; W49-P58 HydrophobicContact CZ2-CG 4.42Å; W49-P58 HydrophobicContact CZ3-CG 4.22Å; I55-P58 HydrophobicContact CB-CG 4.27Å; I55-P58 HydrophobicContact CG2-CB 4.39Å; I55-P58 HydrophobicContact CG2-CG 4.09Å; P58-F60 PolarHBondContact O-N 2.84Å; P58-F60 VanDerWaalsContact O-N 3.14Å; P58-I61 WeakPolarHBondContact O-CB 3.37Å; P58-I61 PolarHBondContact O-N 3.38Å; P58-I61 VanDerWaalsContact O-N 3.11Å
59S73.3Confident80.3Confident90 Ų9037.5 Ų37.563%0.62919%0.191SC*.G310 helixtrans-63.5-16.2177.154.80000114.6K57K57-S59 PolarHBondContact O-N 2.8Å
60F77.7Confident80.6Confident95 Ų9532.8 Ų32.842%0.41717%0.174SC..G310 helixtrans-82.3-19.5178-82.5-134.1000112I18 K57 P58 K62 N657I18-F60 HydrophobicContact CD1-CB 4.22Å; I18-F60 HydrophobicContact CD1-CD1 4.43Å; K57-F60 HydrophobicContact CB-CB 4.04Å; K57-F60 HydrophobicContact CB-CD2 3.63Å; K57-F60 HydrophobicContact CB-CE2 4.28Å; K57-F60 HydrophobicContact CB-CG 3.8Å; K57-F60 HydrophobicContact CD-CD1 4.06Å; K57-F60 HydrophobicContact CD-CD2 3.61Å; K57-F60 HydrophobicContact CD-CE1 3.86Å; K57-F60 HydrophobicContact CD-CE2 3.4Å; K57-F60 VanDerWaalsContact CD-CE2 3.4Å; K57-F60 HydrophobicContact CD-CG 3.96Å; K57-F60 HydrophobicContact CD-CZ 3.54Å; K57-F60 HydrophobicContact CG-CD2 4.26Å; K57-F60 HydrophobicContact CG-CE2 4.45Å; K57-F60 WeakPolarHBondContact O-CB 3.27Å; K57-F60 PolarHBondContact O-N 3.01Å; P58-F60 PolarHBondContact O-N 2.84Å; P58-F60 VanDerWaalsContact O-N 3.14Å; F60-K62 PolarHBondContact O-N 3.35Å; F60-N657 WeakPolarHBondContact O-CB 3.39Å
61I83.8Confident80.3Confident0 Ų037.1 Ų37.10%019%0.19CC..  trans-71.2116.1173.4-65.5165.6000106.5I18 T40 I55 P58 I64 R622 N657 L659 L694I18-I61 HydrophobicContact CG2-CG1 4.18Å; T40-I61 HydrophobicContact CG2-CD1 3.52Å; I55-I61 HydrophobicContact CD1-CD1 4.08Å; I55-I61 HydrophobicContact CG2-CD1 3.83Å; P58-I61 WeakPolarHBondContact O-CB 3.37Å; P58-I61 PolarHBondContact O-N 3.38Å; P58-I61 VanDerWaalsContact O-N 3.11Å; I61-I64 HydrophobicContact CG2-CG1 4.03Å; I61-R622 VanDerWaalsContact O-CZ 3.25Å; I61-R622 PolarHBondContact O-NH1 2.94Å; I61-R622 PolarHBondContact O-NH2 2.81Å; I61-N657 CarbonylContact C-O 3.55Å; I61-N657 VanDerWaalsContact CA-O 3.28Å; I61-N657 WeakPolarHBondContact CA-O 3.36Å; I61-L659 HydrophobicContact CG2-CB 3.67Å; I61-L694 HydrophobicContact CG1-CD1 3.99Å
62K83.4Confident80.2Confident110 Ų11032.6 Ų32.648%0.47817%0.166SC..  trans-85.6-42.3-172.1-72.4-172.7178.9178.10113.3F60 R622 N657F60-K62 PolarHBondContact O-N 3.35Å; K62-R622 PolarHBondContact O-NH1 3.09Å; K62-N657 PolarHBondContact N-O 3.11Å
63N87.6Confident79.6Confident17 Ų1735.5 Ų35.59%0.09118%0.182CC..  trans-141.6154.8178-62.1-39.6000108.8C618 H621 R622 S658 L659N63-C618 HydrophobicContact CB-CB 4.4Å; N63-C618 PolarHBondContact ND2-O 2.82Å; N63-C618 PolarHBondContact OD1-O 3.21Å; N63-H621 PolarHBondContact OD1-O 3.23Å; N63-R622 CarbonylContact C-O 3.56Å; N63-R622 WeakPolarHBondContact CA-O 3.48Å; N63-S658 CarbonylContact O-C 3.53Å; N63-S658 WeakPolarHBondContact O-CA 3.11Å; N63-L659 PolarHBondContact O-N 2.76Å
64I88.7Confident78.7Confident0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-121.4125.3176.2-56.6165.9000107.7L37 T40 I41 I61 L66 R622 L623 V624 L659L37-I64 HydrophobicContact CD2-CD1 4.32Å; L37-I64 HydrophobicContact CD2-CG2 3.67Å; T40-I64 WeakPolarHBondContact OG1-CD1 3.14Å; I41-I64 HydrophobicContact CD1-CD1 3.86Å; I41-I64 HydrophobicContact CG1-CD1 3.32Å; I61-I64 HydrophobicContact CG2-CG1 4.03Å; I64-L66 HydrophobicContact CG2-CG 4.45Å; I64-R622 PolarHBondContact N-O 2.97Å; I64-L623 HydrophobicContact CB-CD1 3.81Å; I64-L623 HydrophobicContact CG2-CD1 3.75Å; I64-L623 CarbonylContact O-C 3.5Å; I64-L623 WeakPolarHBondContact O-CA 3.38Å; I64-V624 PolarHBondContact O-N 2.78Å; I64-L659 CarbonylContact C-O 3.53Å; I64-L659 WeakPolarHBondContact CA-O 3.49Å; I64-L659 HydrophobicContact CG1-CB 4.24Å; I64-L659 HydrophobicContact CG1-CD2 4.29Å; I64-L659 HydrophobicContact CG2-CB 4.5Å; I64-L659 HydrophobicContact CG2-CD2 4.17Å
65V89.2Confident77.8Confident0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-118.3113.3177.9-173.50000108.3I67 I614 C618 V624 L650 L654 L659 I660 G661V65-I67 HydrophobicContact CG1-CD1 4.03Å; V65-I67 HydrophobicContact CG1-CG1 3.81Å; V65-I614 HydrophobicContact CG1-CG2 3.8Å; V65-I614 HydrophobicContact CG2-CG2 4.34Å; V65-C618 WeakPolarHBondContact CG2-SG 3.37Å; V65-V624 CarbonylContact C-O 3.56Å; V65-V624 VanDerWaalsContact CA-O 3.29Å; V65-V624 WeakPolarHBondContact CA-O 3.27Å; V65-V624 HydrophobicContact CG2-CB 4.48Å; V65-L650 HydrophobicContact CG1-CD2 4.33Å; V65-L654 HydrophobicContact CG2-CD1 4.01Å; V65-L654 HydrophobicContact CG2-CD2 4.48Å; V65-L659 PolarHBondContact N-O 2.92Å; V65-I660 CarbonylContact O-C 3.59Å; V65-I660 WeakPolarHBondContact O-CA 3.03Å; V65-G661 PolarHBondContact O-N 3.13Å
66L88.3Confident77.3Confident4 Ų444 Ų442%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-106125.6171.5-69.5-175.2000110.2I33 L37 I64 F68 I109 V624 M625 I626 G661 F690I33-L66 HydrophobicContact CG2-CD1 4.49Å; L37-L66 HydrophobicContact CD1-CD1 3.74Å; L37-L66 HydrophobicContact CD2-CD1 3.91Å; L37-L66 HydrophobicContact CD2-CG 4.33Å; L37-L66 HydrophobicContact CG-CD1 4.32Å; I64-L66 HydrophobicContact CG2-CG 4.45Å; L66-F68 HydrophobicContact CB-CE2 4.39Å; L66-F68 HydrophobicContact CB-CZ 4.41Å; L66-I109 HydrophobicContact CD1-CD1 3.87Å; L66-V624 PolarHBondContact N-O 3.01Å; L66-M625 HydrophobicContact CB-CG 4.09Å; L66-M625 HydrophobicContact CD1-CG 4.36Å; L66-M625 CarbonylContact O-C 3.59Å; L66-M625 VanDerWaalsContact O-CA 3.32Å; L66-M625 WeakPolarHBondContact O-CA 3.28Å; L66-I626 PolarHBondContact O-N 3.39Å; L66-G661 CarbonylContact C-O 3.59Å; L66-G661 WeakPolarHBondContact CA-O 3.39Å; L66-F690 HydrophobicContact CD2-CE2 4.46Å
67I85.9Confident76.7Confident0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-122.6117.5-176.5-45.2178.6000109.3V65 I69 I614 I626 F646 L650 G661 V662 I663V65-I67 HydrophobicContact CG1-CD1 4.03Å; V65-I67 HydrophobicContact CG1-CG1 3.81Å; I67-I69 HydrophobicContact CB-CG1 4.45Å; I67-I69 HydrophobicContact CG2-CD1 4Å; I67-I69 HydrophobicContact CG2-CG1 3.64Å; I67-I614 HydrophobicContact CD1-CD1 4.5Å; I67-I626 CarbonylContact C-O 3.42Å; I67-I626 VanDerWaalsContact CA-O 3.32Å; I67-I626 WeakPolarHBondContact CA-O 3.33Å; I67-F646 HydrophobicContact CD1-CE1 3.76Å; I67-F646 HydrophobicContact CD1-CZ 4.03Å; I67-F646 HydrophobicContact CG2-CE1 4.27Å; I67-L650 HydrophobicContact CD1-CD2 3.38Å; I67-G661 PolarHBondContact N-O 3.12Å; I67-V662 HydrophobicContact CB-CG2 4.45Å; I67-V662 HydrophobicContact CD1-CG2 4.46Å; I67-V662 CarbonylContact O-C 3.38Å; I67-V662 WeakPolarHBondContact O-CA 3.49Å; I67-I663 PolarHBondContact O-N 2.95Å
68F83.9Confident76.1Confident8 Ų844.1 Ų44.14%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-93.8109.8174.1-52.1-83.9000108.4L66 W105 I109 M625 I626 Q627 A628 I663L66-F68 HydrophobicContact CB-CE2 4.39Å; L66-F68 HydrophobicContact CB-CZ 4.41Å; F68-W105 HydrophobicContact CD1-CB 4.08Å; F68-W105 AromaticContact CD1-CD1 3.4Å; F68-W105 AromaticContact CD1-CD2 3.97Å; F68-W105 HydrophobicContact CD1-CD2 3.97Å; F68-W105 AromaticContact CD1-CG 3.56Å; F68-W105 HydrophobicContact CD1-CG 3.56Å; F68-W105 AromaticContact CD1-NE1 3.7Å; F68-W105 HydrophobicContact CE1-CB 3.45Å; F68-W105 VanDerWaalsContact CE1-CB 3.45Å; F68-W105 AromaticContact CE1-CD1 3.48Å; F68-W105 VanDerWaalsContact CE1-CD1 3.48Å; F68-W105 AromaticContact CE1-CD2 3.3Å; F68-W105 HydrophobicContact CE1-CD2 3.3Å; F68-W105 AromaticContact CE1-CE2 3.77Å; F68-W105 AromaticContact CE1-CE3 3.86Å; F68-W105 HydrophobicContact CE1-CE3 3.86Å; F68-W105 AromaticContact CE1-CG 3.1Å; F68-W105 HydrophobicContact CE1-CG 3.1Å; F68-W105 AromaticContact CE1-NE1 3.85Å; F68-W105 HydrophobicContact CE2-CB 4.22Å; F68-W105 HydrophobicContact CZ-CB 3.54Å; F68-W105 HydrophobicContact CZ-CD2 4.13Å; F68-W105 HydrophobicContact CZ-CE3 4.42Å; F68-W105 AromaticContact CZ-CG 3.77Å; F68-W105 HydrophobicContact CZ-CG 3.77Å; F68-I109 HydrophobicContact CZ-CD1 4.01Å; F68-M625 HydrophobicContact CE2-CB 4.44Å; F68-M625 HydrophobicContact CE2-CE 3.78Å; F68-M625 HydrophobicContact CZ-CE 3.86Å; F68-I626 PolarHBondContact N-O 2.83Å; F68-Q627 HydrophobicContact CB-CG 4.42Å; F68-Q627 WeakPolarHBondContact O-CA 3.27Å; F68-A628 PolarHBondContact O-N 3.28Å; F68-I663 HydrophobicContact CD1-CB 3.96Å; F68-I663 HydrophobicContact CD1-CD1 3.72Å; F68-I663 HydrophobicContact CD1-CG1 4.38Å; F68-I663 HydrophobicContact CD1-CG2 4.34Å; F68-I663 HydrophobicContact CE1-CB 4.46Å; F68-I663 HydrophobicContact CE1-CD1 3.31Å; F68-I663 HydrophobicContact CE1-CG1 4.39Å; F68-I663 HydrophobicContact CZ-CD1 4.28Å
69I82.1Confident75.7Confident0 Ų046.5 Ų46.50%024%0.238CC..EExtended strand (participates in β ladder)trans-108.7112.3-176.1-55.1-172000110.1I67 V72 I606 A628 V643 V662 I663 C664 K665I67-I69 HydrophobicContact CB-CG1 4.45Å; I67-I69 HydrophobicContact CG2-CD1 4Å; I67-I69 HydrophobicContact CG2-CG1 3.64Å; I69-V72 HydrophobicContact CG2-CB 4.27Å; I69-V72 HydrophobicContact CG2-CG2 3.55Å; I69-I606 HydrophobicContact CD1-CD1 4.42Å; I69-I606 HydrophobicContact CG2-CD1 3.83Å; I69-A628 WeakPolarHBondContact CA-O 3.17Å; I69-V643 HydrophobicContact CD1-CG1 3.48Å; I69-V643 VanDerWaalsContact CD1-CG1 3.48Å; I69-V643 HydrophobicContact CG2-CG1 4.44Å; I69-V643 HydrophobicContact CG2-CG2 4.25Å; I69-V662 HydrophobicContact CD1-CG1 3.56Å; I69-V662 HydrophobicContact CG1-CG1 3.97Å; I69-I663 PolarHBondContact N-O 3.11Å; I69-C664 WeakPolarHBondContact O-CA 3.28Å; I69-K665 PolarHBondContact O-N 3.48Å
70N77.5Confident75.7Confident18 Ų1849.6 Ų49.610%0.09624%0.241CC..EExtended strand (participates in β ladder)trans-90.1154.9176.7-65-42.2000112.2Q627 A628 N629 C630 K665N70-Q627 PolarHBondContact ND2-NE2 2.77Å; N70-A628 PolarHBondContact N-O 3.47Å; N70-N629 VanDerWaalsContact CB-OD1 3.28Å; N70-N629 WeakPolarHBondContact CB-OD1 2.84Å; N70-N629 PolarHBondContact ND2-OD1 3.17Å; N70-C630 PolarHBondContact O-N 2.75Å; N70-C630 VanDerWaalsContact O-N 3.12Å; N70-K665 CarbonylContact C-O 3.43Å
71R71.5Confident75.2Confident95 Ų9547.7 Ų47.736%0.35823%0.231SC..SBendtrans65.335-179.6-56.9171.1174.6170.5-4.8113.4C630 P632 K665R71-C630 HydrophobicContact CB-CB 4.04Å; R71-C630 WeakPolarHBondContact CD-O 3.45Å; R71-C630 PolarHBondContact NH1-O 3.31Å; R71-C630 VanDerWaalsContact NH1-O 3.12Å; R71-P632 VanDerWaalsContact NH1-CB 3.31Å; R71-K665 PolarHBondContact N-O 3.31Å
72V73.3Confident74.5Confident2 Ų247.8 Ų47.81%0.01223%0.232CC..  trans-128.1109.1172.6-178.90000108.6I69 C630 Y640 V643 C664 K665 G666I69-V72 HydrophobicContact CG2-CB 4.27Å; I69-V72 HydrophobicContact CG2-CG2 3.55Å; V72-C630 WeakPolarHBondContact CG2-SG 3.35Å; V72-Y640 HydrophobicContact CG1-CD1 3.78Å; V72-Y640 HydrophobicContact CG1-CE1 3.38Å; V72-V643 HydrophobicContact CG2-CG2 3.66Å; V72-C664 HydrophobicContact CB-CB 4.37Å; V72-C664 HydrophobicContact CG1-CB 4.28Å; V72-K665 PolarHBondContact N-O 2.89Å; V72-K665 CarbonylContact O-C 3.2Å; V72-G666 PolarHBondContact O-N 3.01Å
73N66.3Low73.8Confident62 Ų6247.5 Ų47.533%0.33223%0.233SC..  trans-76169.6179.4-69.72.4000111.5V75 Y640 G666N73-V75 PolarHBondContact O-N 2.72Å; N73-Y640 VanDerWaalsContact C-OH 3.25Å; N73-Y640 WeakPolarHBondContact O-CE1 3.47Å; N73-Y640 PolarHBondContact O-OH 2.92Å; N73-G666 WeakPolarHBondContact OD1-CA 3.24Å
74T63.6Low72.9Confident82 Ų8250.8 Ų50.850%0.50325%0.247SC..  trans-43.3121.2173.537.90000112.4K76 Y640 N689T74-K76 PolarHBondContact O-N 2.72Å; T74-Y640 PolarHBondContact O-OH 2.98Å; T74-N689 VanDerWaalsContact CA-ND2 3.33Å; T74-N689 WeakPolarHBondContact CA-ND2 3.13Å; T74-N689 WeakPolarHBondContact CG2-ND2 3.45Å; T74-N689 WeakPolarHBondContact CG2-OD1 3.41Å
75V58.5Low72.1Confident17 Ų1750.9 Ų50.910%0.10325%0.248CC..  trans-74.5119.1174.8179.90000108.3N73 F85 Y640 Y691N73-V75 PolarHBondContact O-N 2.72Å; V75-F85 HydrophobicContact CG1-CB 4.32Å; V75-Y640 HydrophobicContact CB-CE1 4.5Å; V75-Y640 HydrophobicContact CG2-CD1 3.99Å; V75-Y640 HydrophobicContact CG2-CE1 3.53Å; V75-Y691 WeakPolarHBondContact CB-OH 3.2Å; V75-Y691 WeakPolarHBondContact CG2-OH 3.24Å
76K63.6Low71.2Confident129 Ų12952.2 Ų52.256%0.56126%0.259SS*.  trans-81.9126.2168.7-67-170.8175.7-178.10108.6T74 N78 E79T74-K76 PolarHBondContact O-N 2.72Å; K76-N78 VanDerWaalsContact CB-OD1 3.26Å; K76-N78 WeakPolarHBondContact CB-OD1 3.32Å; K76-N78 PolarHBondContact O-N 2.89Å; K76-N78 VanDerWaalsContact O-N 3.07Å; K76-E79 HydrophobicContact CB-CG 4.33Å; K76-E79 PolarHBondContact O-N 2.91Å; K76-E79 VanDerWaalsContact O-N 3.09Å
77S61.4Low70.3Confident57 Ų5759.1 Ų59.140%0.39930%0.295SS..THydrogen-bonded Turntrans-60.4-19.6-175.954.70000113.8Q83S77-Q83 WeakPolarHBondContact O-CG 3.49Å; S77-Q83 PolarHBondContact O-N 3.4Å
78N60.2Low69.6Low124 Ų12460.2 Ų60.266%0.66330%0.3SS*.THydrogen-bonded Turntrans-84.4-6.717842.2-16.4000115.2K76K76-N78 VanDerWaalsContact CB-OD1 3.26Å; K76-N78 WeakPolarHBondContact CB-OD1 3.32Å; K76-N78 PolarHBondContact O-N 2.89Å; K76-N78 VanDerWaalsContact O-N 3.07Å
79E68.8Low69.2Low66 Ų6660.1 Ų60.131%0.30830%0.3SS..SBendtrans-82.8148.4172.6-67.8179.6-170.100111.2K76 Y81 G82 Q83 K636K76-E79 HydrophobicContact CB-CG 4.33Å; K76-E79 PolarHBondContact O-N 2.91Å; K76-E79 VanDerWaalsContact O-N 3.09Å; E79-Y81 VanDerWaalsContact C-N 3.26Å; E79-Y81 PolarHBondContact O-N 3.12Å; E79-Y81 VanDerWaalsContact O-N 3.11Å; E79-G82 WeakPolarHBondContact O-CA 3.38Å; E79-G82 PolarHBondContact O-N 3.5Å; E79-Q83 PolarHBondContact O-N 2.93Å; E79-K636 IonicContact OE1-NZ 3.21Å
80K74.2Confident68.8Low155 Ų15561.4 Ų61.467%0.67431%0.313SS*.Hα-helixtrans-46.7-44.9-178.3-179.9-180-180177.40113.8
81Y68.3Low68.7Low55 Ų5565.4 Ų65.422%0.21633%0.331CS..Hα-helixtrans-84.2-24.5178.4-57-67000112.4E79 Q84 F85 H641E79-Y81 VanDerWaalsContact C-N 3.26Å; E79-Y81 PolarHBondContact O-N 3.12Å; E79-Y81 VanDerWaalsContact O-N 3.11Å; Y81-Q84 WeakPolarHBondContact O-CB 3.41Å; Y81-Q84 PolarHBondContact O-N 2.79Å; Y81-F85 WeakPolarHBondContact O-CD2 3.33Å; Y81-F85 PolarHBondContact O-N 3.42Å; Y81-F85 VanDerWaalsContact O-N 3.13Å; Y81-H641 HydrophobicContact CD1-CB 4.46Å; Y81-H641 HydrophobicContact CE1-CB 4.03Å; Y81-H641 AromaticContact CE1-ND1 3.38Å; Y81-H641 WeakPolarHBondContact CE1-ND1 3.46Å; Y81-H641 HydrophobicContact CE2-CB 4.31Å; Y81-H641 AromaticContact CZ-ND1 3.79Å
82G68.9Low68.9Low2 Ų263 Ų632%0.02133%0.327CS..Hα-helixtrans-69-35.6176.200000113.5E79 Q84 F85 A86E79-G82 WeakPolarHBondContact O-CA 3.38Å; E79-G82 PolarHBondContact O-N 3.5Å; G82-Q84 VanDerWaalsContact C-N 3.29Å; G82-Q84 PolarHBondContact O-N 3.29Å; G82-F85 PolarHBondContact O-N 3.01Å; G82-A86 WeakPolarHBondContact O-CB 3.45Å; G82-A86 PolarHBondContact O-N 3.42Å
83Q68.5Low69.4Low105 Ų10563.7 Ų63.749%0.49133%0.331SS..Hα-helixtrans-58-42169.2-66.5177.3-1.300111.5S77 E79 A86 L87S77-Q83 WeakPolarHBondContact O-CG 3.49Å; S77-Q83 PolarHBondContact O-N 3.4Å; E79-Q83 PolarHBondContact O-N 2.93Å; Q83-A86 PolarHBondContact O-N 3.45Å; Q83-L87 WeakPolarHBondContact O-CB 3.45Å; Q83-L87 WeakPolarHBondContact O-CG 3.48Å; Q83-L87 PolarHBondContact O-N 3.43Å
84Q68Low70.2Confident86 Ų8666.3 Ų66.340%0.40234%0.34SS..Hα-helixtrans-65.1-42.2178.1-65.7-179-21.500112.4Y81 G82 L87 M88 S644Y81-Q84 WeakPolarHBondContact O-CB 3.41Å; Y81-Q84 PolarHBondContact O-N 2.79Å; G82-Q84 VanDerWaalsContact C-N 3.29Å; G82-Q84 PolarHBondContact O-N 3.29Å; Q84-L87 PolarHBondContact O-N 3.08Å; Q84-M88 WeakPolarHBondContact O-CB 3.5Å; Q84-M88 PolarHBondContact O-N 3.41Å; Q84-M88 VanDerWaalsContact O-N 3.14Å; Q84-S644 PolarHBondContact OE1-OG 2.95Å; Q84-S644 VanDerWaalsContact OE1-OG 3.11Å
85F71.5Confident71Confident2 Ų262.4 Ų62.41%0.00932%0.316CS..Hα-helixtrans-62.8-45.8173.9-89.4-83.5000112V75 Y81 G82 L87 M88 F89 V643V75-F85 HydrophobicContact CG1-CB 4.32Å; Y81-F85 WeakPolarHBondContact O-CD2 3.33Å; Y81-F85 PolarHBondContact O-N 3.42Å; Y81-F85 VanDerWaalsContact O-N 3.13Å; G82-F85 PolarHBondContact O-N 3.01Å; F85-L87 VanDerWaalsContact C-N 3.33Å; F85-L87 PolarHBondContact O-N 2.9Å; F85-M88 PolarHBondContact O-N 2.87Å; F85-M88 VanDerWaalsContact O-N 3.12Å; F85-F89 AromaticContact CD1-CD2 3.87Å; F85-F89 HydrophobicContact CD1-CD2 3.87Å; F85-F89 AromaticContact CD1-CE2 3.92Å; F85-F89 HydrophobicContact CD1-CE2 3.92Å; F85-F89 HydrophobicContact CE1-CE2 4.11Å; F85-F89 PolarHBondContact O-N 3.38Å; F85-V643 HydrophobicContact CE1-CG1 4.2Å; F85-V643 HydrophobicContact CZ-CB 3.92Å; F85-V643 HydrophobicContact CZ-CG1 3.6Å
86A70.4Confident71.9Confident28 Ų2862.9 Ų62.923%0.23132%0.318CS..Hα-helixtrans-63.1-38.917900000111.9G82 Q83 M88 G90G82-A86 WeakPolarHBondContact O-CB 3.45Å; G82-A86 PolarHBondContact O-N 3.42Å; Q83-A86 PolarHBondContact O-N 3.45Å; A86-M88 VanDerWaalsContact C-N 3.28Å; A86-M88 PolarHBondContact O-N 2.66Å; A86-G90 WeakPolarHBondContact O-CA 3.43Å; A86-G90 PolarHBondContact O-N 2.99Å
87L69.6Low72.6Confident149 Ų14956.7 Ų56.778%0.7829%0.291SS*.Hα-helixtrans-64.4-31.9174-73.4168.4000112.8Q83 Q84 F85Q83-L87 WeakPolarHBondContact O-CB 3.45Å; Q83-L87 WeakPolarHBondContact O-CG 3.48Å; Q83-L87 PolarHBondContact O-N 3.43Å; Q84-L87 PolarHBondContact O-N 3.08Å; F85-L87 VanDerWaalsContact C-N 3.33Å; F85-L87 PolarHBondContact O-N 2.9Å
88M71.8Confident73Confident22 Ų2254 Ų5411%0.10827%0.272CS..Hα-helixtrans-89.2-36-176.2-171161.169.200113.8Q84 F85 A86 C647 Y651 T693Q84-M88 WeakPolarHBondContact O-CB 3.5Å; Q84-M88 PolarHBondContact O-N 3.41Å; Q84-M88 VanDerWaalsContact O-N 3.14Å; F85-M88 PolarHBondContact O-N 2.87Å; F85-M88 VanDerWaalsContact O-N 3.12Å; A86-M88 VanDerWaalsContact C-N 3.28Å; A86-M88 PolarHBondContact O-N 2.66Å; M88-C647 HydrophobicContact CE-CB 3.41Å; M88-C647 VanDerWaalsContact CE-CB 3.41Å; M88-Y651 HydrophobicContact CG-CD2 4.35Å; M88-Y651 HydrophobicContact CG-CG 4.45Å; M88-Y651 HydrophobicContact SD-CG 4.26Å; M88-T693 WeakPolarHBondContact O-CB 3.44Å; M88-T693 PolarHBondContact O-OG1 2.96Å
89F76.1Confident73.3Confident7 Ų751.4 Ų51.43%0.03126%0.256CS..Hα-helixtrans-121-8.1-173.6-65.7-80000114.9F85 C647 I660 V662 Y691 T693F85-F89 AromaticContact CD1-CD2 3.87Å; F85-F89 HydrophobicContact CD1-CD2 3.87Å; F85-F89 AromaticContact CD1-CE2 3.92Å; F85-F89 HydrophobicContact CD1-CE2 3.92Å; F85-F89 HydrophobicContact CE1-CE2 4.11Å; F85-F89 PolarHBondContact O-N 3.38Å; F89-C647 HydrophobicContact CE2-CB 4.07Å; F89-C647 HydrophobicContact CZ-CB 4.12Å; F89-I660 HydrophobicContact CE1-CB 4.49Å; F89-I660 HydrophobicContact CE1-CG2 4.07Å; F89-I660 HydrophobicContact CZ-CG2 4.42Å; F89-V662 HydrophobicContact CE1-CG2 3.92Å; F89-V662 HydrophobicContact CE2-CG2 4.45Å; F89-V662 HydrophobicContact CZ-CG2 3.64Å; F89-Y691 HydrophobicContact CB-CD1 3.93Å; F89-Y691 HydrophobicContact CB-CG 4.31Å; F89-Y691 HydrophobicContact CG-CD1 4.5Å; F89-Y691 HydrophobicContact CG-CG 4.49Å; F89-T693 HydrophobicContact CD1-CG2 3.43Å; F89-T693 VanDerWaalsContact CD1-CG2 3.43Å; F89-T693 HydrophobicContact CE1-CG2 3.48Å; F89-T693 VanDerWaalsContact CE1-CG2 3.48Å; F89-T693 HydrophobicContact CG-CG2 4.41Å
90G73.8Confident73Confident27 Ų2749.3 Ų49.328%0.27825%0.25SC..  trans77.8-165.6-17000000113.4A86A86-G90 WeakPolarHBondContact O-CA 3.43Å; A86-G90 PolarHBondContact O-N 2.99Å
91E73.9Confident72.5Confident102 Ų10243.1 Ų43.148%0.47722%0.222SC..SBendtrans-69.5140.5177.2-70.4-65.5148.600111.3
92P77.2Confident72.2Confident43 Ų4346.6 Ų46.628%0.27924%0.239SC..PPolyproline II helixtrans-66.6136.5178.423.2-29.7000112.6N689 Y691P92-N689 HydrophobicContact CB-CB 4.15Å; P92-Y691 HydrophobicContact CB-CD1 4.23Å; P92-Y691 HydrophobicContact CB-CE1 3.55Å; P92-Y691 HydrophobicContact CB-CE2 4.4Å; P92-Y691 HydrophobicContact CG-CE1 4.13Å
93L82.4Confident71.9Confident18 Ų1850.2 Ų50.29%0.09425%0.252CS..EExtended strand (participates in β ladder)trans-89.2138.7165.8-59.4175.3000109.2I21 L28 W52 F690I21-L93 HydrophobicContact CG2-CD1 4.43Å; L28-L93 HydrophobicContact CD1-CB 4.15Å; L28-L93 HydrophobicContact CD1-CD1 3.63Å; L28-L93 HydrophobicContact CG-CB 4.21Å; L28-L93 HydrophobicContact CG-CD1 4.17Å; W52-L93 HydrophobicContact CE3-CD1 3.83Å; W52-L93 HydrophobicContact CZ3-CD1 3.72Å; L93-F690 HydrophobicContact CD1-CD1 4.46Å; L93-F690 PolarHBondContact N-O 3.44Å; L93-F690 PolarHBondContact O-N 3.13Å
94K83Confident71.7Confident116 Ų11647.6 Ų47.650%0.50424%0.243SC..EExtended strand (participates in β ladder)trans-79.2138.7174.2-69.3-179.1179.5174.80109.6T26 V27 L28 C688T26-K94 PolarHBondContact O-N 3.45Å; T26-K94 VanDerWaalsContact O-N 3.07Å; V27-K94 CarbonylContact C-O 3.58Å; V27-K94 VanDerWaalsContact CA-O 3.27Å; V27-K94 WeakPolarHBondContact CA-O 3.01Å; V27-K94 HydrophobicContact CB-CB 4.41Å; V27-K94 HydrophobicContact CG1-CB 4.29Å; V27-K94 HydrophobicContact CG2-CB 4.05Å; V27-K94 HydrophobicContact CG2-CD 4.42Å; L28-K94 PolarHBondContact N-O 3.29Å; K94-C688 CarbonylContact C-O 3.57Å; K94-C688 WeakPolarHBondContact CA-O 3.3Å
95V81.5Confident71.9Confident1 Ų144.3 Ų44.31%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-130.8138.5175.1174.20000110.1L28 I33 W105 C688 F690L28-V95 HydrophobicContact CB-CG2 3.74Å; L28-V95 HydrophobicContact CD1-CG2 4.42Å; L28-V95 WeakPolarHBondContact O-CA 3.3Å; I33-V95 HydrophobicContact CD1-CG1 4.08Å; I33-V95 HydrophobicContact CD1-CG2 4.05Å; V95-W105 HydrophobicContact CG1-CH2 3.52Å; V95-W105 HydrophobicContact CG1-CZ2 3.97Å; V95-C688 PolarHBondContact N-O 3.32Å; V95-C688 PolarHBondContact O-N 3.18Å; V95-F690 HydrophobicContact CB-CB 4.3Å; V95-F690 HydrophobicContact CG2-CB 3.36Å; V95-F690 HydrophobicContact CG2-CD1 4.34Å; V95-F690 HydrophobicContact CG2-CG 4.04Å
96L77.2Confident71.5Confident26 Ų2645.9 Ų45.914%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-77.8124.9171.2-171.968.8000110.2L28 A686L28-L96 PolarHBondContact O-N 2.67Å; L96-A686 HydrophobicContact CD1-CB 3.66Å
97S78.2Confident71.2Confident0 Ų051.4 Ų51.40%025%0.251CS..  trans-68.4136.8178.3-164.40000112E99 A100 A686S97-E99 PolarHBondContact O-N 3.04Å; S97-E99 PolarHBondContact OG-N 2.99Å; S97-E99 PolarHBondContact OG-OE2 3.46Å; S97-A100 WeakPolarHBondContact O-CB 3.47Å; S97-A100 PolarHBondContact O-N 2.95Å; S97-A100 VanDerWaalsContact O-N 3.13Å; S97-A686 PolarHBondContact N-O 2.76Å
98P69.9Low71.2Confident0 Ų044.4 Ų44.40%021%0.214CC..G310 helixtrans-55.4-31.2169.2-27.136.3000114.9A30 A100 Y101 K102 Y103 W105 E108A30-P98 HydrophobicContact CB-CG 4.18Å; P98-A100 PolarHBondContact O-N 2.94Å; P98-A100 VanDerWaalsContact O-N 3.14Å; P98-Y101 VanDerWaalsContact CA-CE1 3.43Å; P98-Y101 WeakPolarHBondContact CA-OH 3.36Å; P98-Y101 HydrophobicContact CB-CE1 4.36Å; P98-Y101 HydrophobicContact CB-CE2 4.22Å; P98-Y101 WeakPolarHBondContact CB-OH 3.28Å; P98-Y101 CarbonylContact O-C 3.6Å; P98-Y101 WeakPolarHBondContact O-CD1 3.33Å; P98-Y101 WeakPolarHBondContact O-CD2 3.35Å; P98-Y101 VanDerWaalsContact O-CG 3.32Å; P98-Y101 PolarHBondContact O-N 2.63Å; P98-K102 PolarHBondContact O-N 2.96Å; P98-Y103 CarbonylContact C-O 3.47Å; P98-Y103 WeakPolarHBondContact CB-O 3.36Å; P98-Y103 PolarHBondContact O-N 2.85Å; P98-W105 HydrophobicContact CG-CD2 3.63Å; P98-W105 HydrophobicContact CG-CE3 3.74Å; P98-W105 HydrophobicContact CG-CG 4.15Å; P98-W105 HydrophobicContact CG-CH2 4.07Å; P98-W105 HydrophobicContact CG-CZ2 4.05Å; P98-W105 HydrophobicContact CG-CZ3 3.96Å; P98-E108 HydrophobicContact CB-CB 4.15Å; P98-E108 HydrophobicContact CB-CG 4.39Å; P98-E108 HydrophobicContact CG-CB 3.97Å; P98-E108 HydrophobicContact CG-CG 3.97Å
99E65.7Low71.1Confident69 Ų6943.5 Ų43.532%0.32221%0.209SC..G310 helixtrans-65.4-23.1-179-56.5152.7128.200111.8S97 Y101 K102 Y103 K665S97-E99 PolarHBondContact O-N 3.04Å; S97-E99 PolarHBondContact OG-N 2.99Å; S97-E99 PolarHBondContact OG-OE2 3.46Å; E99-Y101 PolarHBondContact O-N 3.27Å; E99-Y101 VanDerWaalsContact O-N 3.1Å; E99-K102 PolarHBondContact O-N 3.14Å; E99-K102 VanDerWaalsContact O-N 3.16Å; E99-Y103 WeakPolarHBondContact CA-O 3.35Å; E99-Y103 PolarHBondContact N-O 3.5Å; E99-K665 IonicContact OE1-NZ 2.74Å; E99-K665 PolarHBondContact OE1-NZ 3.38Å; E99-K665 WeakPolarHBondContact OE2-CD 3.3Å; E99-K665 VanDerWaalsContact OE2-CE 3.25Å; E99-K665 WeakPolarHBondContact OE2-CE 3.37Å; E99-K665 IonicContact OE2-NZ 3.79Å; E99-K665 PolarHBondContact OE2-NZ 2.96Å
100A64.3Low70.5Confident22 Ų2243.5 Ų43.518%0.18221%0.21CC..G310 helixtrans-61.4-17.6174.700000112.4S97 P98 F492 F669 A686S97-A100 WeakPolarHBondContact O-CB 3.47Å; S97-A100 PolarHBondContact O-N 2.95Å; S97-A100 VanDerWaalsContact O-N 3.13Å; P98-A100 PolarHBondContact O-N 2.94Å; P98-A100 VanDerWaalsContact O-N 3.14Å; A100-F492 HydrophobicContact CB-CE2 4.45Å; A100-F492 HydrophobicContact CB-CZ 3.79Å; A100-F492 WeakPolarHBondContact O-CE1 3.41Å; A100-F492 WeakPolarHBondContact O-CZ 3.4Å; A100-F669 HydrophobicContact CB-CE1 3.78Å; A100-F669 HydrophobicContact CB-CZ 3.89Å; A100-A686 HydrophobicContact CB-CB 4.14Å
101Y63.2Low70Confident26 Ų2643 Ų4310%0.10220%0.202CC..G310 helixtrans-126.929.9175.853.9-93000113.9P98 E99 Y103 E108 L496P98-Y101 VanDerWaalsContact CA-CE1 3.43Å; P98-Y101 WeakPolarHBondContact CA-OH 3.36Å; P98-Y101 HydrophobicContact CB-CE1 4.36Å; P98-Y101 HydrophobicContact CB-CE2 4.22Å; P98-Y101 WeakPolarHBondContact CB-OH 3.28Å; P98-Y101 CarbonylContact O-C 3.6Å; P98-Y101 WeakPolarHBondContact O-CD1 3.33Å; P98-Y101 WeakPolarHBondContact O-CD2 3.35Å; P98-Y101 VanDerWaalsContact O-CG 3.32Å; P98-Y101 PolarHBondContact O-N 2.63Å; E99-Y101 PolarHBondContact O-N 3.27Å; E99-Y101 VanDerWaalsContact O-N 3.1Å; Y101-Y103 AromaticContact CD2-CD2 3.65Å; Y101-Y103 HydrophobicContact CD2-CD2 3.65Å; Y101-Y103 AromaticContact CD2-CG 3.85Å; Y101-Y103 HydrophobicContact CD2-CG 3.85Å; Y101-Y103 VanDerWaalsContact CE2-CB 3.46Å; Y101-Y103 HydrophobicContact CE2-CD1 4.43Å; Y101-Y103 AromaticContact CE2-CD2 3.96Å; Y101-Y103 HydrophobicContact CE2-CD2 3.96Å; Y101-Y103 AromaticContact CE2-CG 3.7Å; Y101-Y103 HydrophobicContact CE2-CG 3.7Å; Y101-Y103 PolarHBondContact O-N 2.9Å; Y101-E108 PolarHBondContact OH-OE1 3Å; Y101-E108 PolarHBondContact OH-OE2 2.92Å; Y101-L496 HydrophobicContact CD1-CD2 3.76Å; Y101-L496 HydrophobicContact CG-CD2 3.89Å
102K60.5Low69.6Low128 Ų12838.6 Ų38.656%0.55718%0.182SC*.THydrogen-bonded Turntrans60.527.9177.6-55.4-174.6176.6-175.70114.3P98 E99 L480P98-K102 PolarHBondContact O-N 2.96Å; E99-K102 PolarHBondContact O-N 3.14Å; E99-K102 VanDerWaalsContact O-N 3.16Å; K102-L480 HydrophobicContact CD-CD2 4.42Å
103Y62.9Low69Low78 Ų7836.7 Ų36.731%0.30617%0.169SC..  trans-108.4156.6169.3-89.5-115.1000111P98 E99 Y101 R107P98-Y103 CarbonylContact C-O 3.47Å; P98-Y103 WeakPolarHBondContact CB-O 3.36Å; P98-Y103 PolarHBondContact O-N 2.85Å; E99-Y103 WeakPolarHBondContact CA-O 3.35Å; E99-Y103 PolarHBondContact N-O 3.5Å; Y101-Y103 AromaticContact CD2-CD2 3.65Å; Y101-Y103 HydrophobicContact CD2-CD2 3.65Å; Y101-Y103 AromaticContact CD2-CG 3.85Å; Y101-Y103 HydrophobicContact CD2-CG 3.85Å; Y101-Y103 VanDerWaalsContact CE2-CB 3.46Å; Y101-Y103 HydrophobicContact CE2-CD1 4.43Å; Y101-Y103 AromaticContact CE2-CD2 3.96Å; Y101-Y103 HydrophobicContact CE2-CD2 3.96Å; Y101-Y103 AromaticContact CE2-CG 3.7Å; Y101-Y103 HydrophobicContact CE2-CG 3.7Å; Y101-Y103 PolarHBondContact O-N 2.9Å; Y103-R107 HydrophobicContact CD1-CB 4.15Å
104T64.9Low68Low49 Ų4937.7 Ų37.730%0.30117%0.172SC..  trans-102.7157.1172.3600000109.9D106 R107 E108T104-D106 VanDerWaalsContact C-N 3.28Å; T104-D106 WeakPolarHBondContact CB-OD1 3.36Å; T104-D106 PolarHBondContact O-N 3.03Å; T104-D106 PolarHBondContact OG1-OD1 3.31Å; T104-D106 PolarHBondContact OG1-OD2 3.01Å; T104-R107 PolarHBondContact O-N 2.84Å; T104-R107 WeakPolarHBondContact OG1-CB 3.23Å; T104-R107 VanDerWaalsContact OG1-CG 3.28Å; T104-R107 WeakPolarHBondContact OG1-CG 3.24Å; T104-R107 PolarHBondContact OG1-N 3.43Å; T104-E108 VanDerWaalsContact O-CB 3.3Å; T104-E108 WeakPolarHBondContact O-CB 3.39Å; T104-E108 PolarHBondContact O-N 3.02Å
105W72.5Confident67.1Low17 Ų1734.5 Ų34.56%0.06416%0.164CC..Hα-helixtrans-62.7-35.7179.1-83108.3000112.6A30 I33 F68 V95 P98 I109 I663A30-W105 HydrophobicContact CB-CH2 4.05Å; A30-W105 HydrophobicContact CB-CZ3 3.7Å; I33-W105 HydrophobicContact CD1-CH2 3.87Å; I33-W105 HydrophobicContact CD1-CZ3 3.93Å; F68-W105 HydrophobicContact CD1-CB 4.08Å; F68-W105 AromaticContact CD1-CD1 3.4Å; F68-W105 AromaticContact CD1-CD2 3.97Å; F68-W105 HydrophobicContact CD1-CD2 3.97Å; F68-W105 AromaticContact CD1-CG 3.56Å; F68-W105 HydrophobicContact CD1-CG 3.56Å; F68-W105 AromaticContact CD1-NE1 3.7Å; F68-W105 HydrophobicContact CE1-CB 3.45Å; F68-W105 VanDerWaalsContact CE1-CB 3.45Å; F68-W105 AromaticContact CE1-CD1 3.48Å; F68-W105 VanDerWaalsContact CE1-CD1 3.48Å; F68-W105 AromaticContact CE1-CD2 3.3Å; F68-W105 HydrophobicContact CE1-CD2 3.3Å; F68-W105 AromaticContact CE1-CE2 3.77Å; F68-W105 AromaticContact CE1-CE3 3.86Å; F68-W105 HydrophobicContact CE1-CE3 3.86Å; F68-W105 AromaticContact CE1-CG 3.1Å; F68-W105 HydrophobicContact CE1-CG 3.1Å; F68-W105 AromaticContact CE1-NE1 3.85Å; F68-W105 HydrophobicContact CE2-CB 4.22Å; F68-W105 HydrophobicContact CZ-CB 3.54Å; F68-W105 HydrophobicContact CZ-CD2 4.13Å; F68-W105 HydrophobicContact CZ-CE3 4.42Å; F68-W105 AromaticContact CZ-CG 3.77Å; F68-W105 HydrophobicContact CZ-CG 3.77Å; V95-W105 HydrophobicContact CG1-CH2 3.52Å; V95-W105 HydrophobicContact CG1-CZ2 3.97Å; P98-W105 HydrophobicContact CG-CD2 3.63Å; P98-W105 HydrophobicContact CG-CE3 3.74Å; P98-W105 HydrophobicContact CG-CG 4.15Å; P98-W105 HydrophobicContact CG-CH2 4.07Å; P98-W105 HydrophobicContact CG-CZ2 4.05Å; P98-W105 HydrophobicContact CG-CZ3 3.96Å; W105-I109 HydrophobicContact CE3-CD1 4.06Å; W105-I109 HydrophobicContact CE3-CG1 4.38Å; W105-I109 WeakPolarHBondContact O-CB 3.33Å; W105-I109 WeakPolarHBondContact O-CD1 3.09Å; W105-I109 VanDerWaalsContact O-CG1 3.23Å; W105-I109 WeakPolarHBondContact O-CG1 3.48Å; W105-I109 PolarHBondContact O-N 3.46Å; W105-I663 HydrophobicContact CD2-CD1 4.34Å; W105-I663 HydrophobicContact CE3-CD1 4.37Å; W105-I663 HydrophobicContact CH2-CD1 4Å; W105-I663 HydrophobicContact CZ2-CD1 3.88Å; W105-I663 HydrophobicContact CZ2-CG2 4.14Å; W105-I663 HydrophobicContact CZ3-CD1 4.22Å
106D63.9Low66.5Low35 Ų3534.8 Ų34.819%0.18717%0.165CC..Hα-helixtrans-61.2-52.6171.950.8-70.7000111.7T104 E108 I109 S110 Y526T104-D106 VanDerWaalsContact C-N 3.28Å; T104-D106 WeakPolarHBondContact CB-OD1 3.36Å; T104-D106 PolarHBondContact O-N 3.03Å; T104-D106 PolarHBondContact OG1-OD1 3.31Å; T104-D106 PolarHBondContact OG1-OD2 3.01Å; D106-E108 VanDerWaalsContact C-N 3.34Å; D106-E108 PolarHBondContact O-N 2.81Å; D106-I109 PolarHBondContact O-N 2.95Å; D106-S110 WeakPolarHBondContact O-CB 3.19Å; D106-S110 PolarHBondContact O-N 3.27Å; D106-S110 PolarHBondContact O-OG 2.87Å; D106-Y526 HydrophobicContact CB-CD1 4.36Å; D106-Y526 HydrophobicContact CB-CD2 4.22Å; D106-Y526 HydrophobicContact CB-CE1 3.8Å; D106-Y526 HydrophobicContact CB-CE2 3.74Å; D106-Y526 VanDerWaalsContact CB-CZ 3.48Å; D106-Y526 PolarHBondContact OD1-OH 3.04Å
107R63Low66.2Low145 Ų14534 Ų3455%0.54716%0.161SC..Hα-helixtrans-57.3-50.2177.6-75.7179.3179.6-161.4-1.3110.5Y103 T104 I109 S110 T111Y103-R107 HydrophobicContact CD1-CB 4.15Å; T104-R107 PolarHBondContact O-N 2.84Å; T104-R107 WeakPolarHBondContact OG1-CB 3.23Å; T104-R107 VanDerWaalsContact OG1-CG 3.28Å; T104-R107 WeakPolarHBondContact OG1-CG 3.24Å; T104-R107 PolarHBondContact OG1-N 3.43Å; R107-I109 PolarHBondContact O-N 2.75Å; R107-S110 WeakPolarHBondContact CA-OG 3.31Å; R107-S110 PolarHBondContact O-N 3.22Å; R107-S110 VanDerWaalsContact O-N 3.14Å; R107-S110 PolarHBondContact O-OG 3.16Å; R107-T111 WeakPolarHBondContact O-CG2 3.33Å; R107-T111 PolarHBondContact O-N 3.38Å; R107-T111 VanDerWaalsContact O-N 3.09Å; R107-T111 PolarHBondContact O-OG1 3.17Å; R107-T111 VanDerWaalsContact O-OG1 3.07Å
108E69.5Low65.8Low2 Ų235.5 Ų35.51%0.00917%0.17CC..Hα-helixtrans-62-46.4-178.6-169.767.4-165.900111.9A30 Q34 P98 Y101 T104 D106 S110 T111 Y503A30-E108 HydrophobicContact CB-CG 3.5Å; A30-E108 VanDerWaalsContact CB-CG 3.5Å; Q34-E108 PolarHBondContact NE2-O 3.33Å; Q34-E108 PolarHBondContact NE2-OE1 3.08Å; P98-E108 HydrophobicContact CB-CB 4.15Å; P98-E108 HydrophobicContact CB-CG 4.39Å; P98-E108 HydrophobicContact CG-CB 3.97Å; P98-E108 HydrophobicContact CG-CG 3.97Å; Y101-E108 PolarHBondContact OH-OE1 3Å; Y101-E108 PolarHBondContact OH-OE2 2.92Å; T104-E108 VanDerWaalsContact O-CB 3.3Å; T104-E108 WeakPolarHBondContact O-CB 3.39Å; T104-E108 PolarHBondContact O-N 3.02Å; D106-E108 VanDerWaalsContact C-N 3.34Å; D106-E108 PolarHBondContact O-N 2.81Å; E108-S110 VanDerWaalsContact C-N 3.27Å; E108-S110 PolarHBondContact O-N 3.2Å; E108-T111 PolarHBondContact O-N 2.92Å; E108-T111 PolarHBondContact O-OG1 3.14Å; E108-T111 VanDerWaalsContact O-OG1 3.11Å; E108-Y503 PolarHBondContact OE1-OH 2.88Å
109I70.6Confident65.8Low2 Ų237.5 Ų37.51%0.0119%0.187CC..Hα-helixtrans-67.6-32.5177.4-71.9165000110.8L37 L66 F68 W105 D106 R107 T111 F513 M625L37-I109 HydrophobicContact CD1-CD1 4.18Å; L37-I109 HydrophobicContact CD1-CG1 4.16Å; L37-I109 HydrophobicContact CD1-CG2 3.56Å; L66-I109 HydrophobicContact CD1-CD1 3.87Å; F68-I109 HydrophobicContact CZ-CD1 4.01Å; W105-I109 HydrophobicContact CE3-CD1 4.06Å; W105-I109 HydrophobicContact CE3-CG1 4.38Å; W105-I109 WeakPolarHBondContact O-CB 3.33Å; W105-I109 WeakPolarHBondContact O-CD1 3.09Å; W105-I109 VanDerWaalsContact O-CG1 3.23Å; W105-I109 WeakPolarHBondContact O-CG1 3.48Å; W105-I109 PolarHBondContact O-N 3.46Å; D106-I109 PolarHBondContact O-N 2.95Å; R107-I109 PolarHBondContact O-N 2.75Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 2.92Å; I109-F513 HydrophobicContact CG2-CD1 3.83Å; I109-F513 HydrophobicContact CG2-CE1 3.63Å; I109-F513 HydrophobicContact CG2-CG 4.45Å; I109-F513 HydrophobicContact CG2-CZ 4.16Å; I109-F513 WeakPolarHBondContact O-CB 3.5Å; I109-M625 HydrophobicContact CB-CE 4.3Å; I109-M625 HydrophobicContact CD1-CE 3.4Å; I109-M625 VanDerWaalsContact CD1-CE 3.4Å; I109-M625 HydrophobicContact CD1-SD 4.19Å; I109-M625 HydrophobicContact CG1-CE 4.41Å; I109-M625 HydrophobicContact CG2-CE 4.43Å; I109-M625 HydrophobicContact CG2-SD 4.14Å
110S62.6Low66Low8 Ų836.3 Ų36.36%0.05618%0.181CC..Hα-helixtrans-70.6-25.5-179.178.30000114.1D106 R107 E108 H511 L512 F513D106-S110 WeakPolarHBondContact O-CB 3.19Å; D106-S110 PolarHBondContact O-N 3.27Å; D106-S110 PolarHBondContact O-OG 2.87Å; R107-S110 WeakPolarHBondContact CA-OG 3.31Å; R107-S110 PolarHBondContact O-N 3.22Å; R107-S110 VanDerWaalsContact O-N 3.14Å; R107-S110 PolarHBondContact O-OG 3.16Å; E108-S110 VanDerWaalsContact C-N 3.27Å; E108-S110 PolarHBondContact O-N 3.2Å; S110-H511 CarbonylContact O-C 3.49Å; S110-L512 PolarHBondContact O-N 3.38Å; S110-F513 WeakPolarHBondContact O-CB 3.43Å; S110-F513 PolarHBondContact O-N 3.23Å
111T62.4Low66.4Low15 Ų1535.2 Ų35.29%0.09217%0.173CC..  trans-97.795-178.552.50000111R107 E108 I109 P509R107-T111 WeakPolarHBondContact O-CG2 3.33Å; R107-T111 PolarHBondContact O-N 3.38Å; R107-T111 VanDerWaalsContact O-N 3.09Å; R107-T111 PolarHBondContact O-OG1 3.17Å; R107-T111 VanDerWaalsContact O-OG1 3.07Å; E108-T111 PolarHBondContact O-N 2.92Å; E108-T111 PolarHBondContact O-OG1 3.14Å; E108-T111 VanDerWaalsContact O-OG1 3.11Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 2.92Å; T111-P509 HydrophobicContact CG2-CB 4.26Å
112V66.8Low66.7Low11 Ų1134 Ų347%0.06717%0.168CC..  trans-94.1130179.1178.20000110.5F46 R114 F116 L117 L512 F513F46-V112 HydrophobicContact CE1-CG1 3.56Å; F46-V112 HydrophobicContact CZ-CB 4.46Å; F46-V112 HydrophobicContact CZ-CG1 3.57Å; F46-V112 HydrophobicContact CZ-CG2 4.17Å; V112-R114 PolarHBondContact O-N 3.33Å; V112-F116 HydrophobicContact CG1-CB 4.13Å; V112-F116 HydrophobicContact CG1-CD2 4.16Å; V112-L117 HydrophobicContact CG1-CD2 4.36Å; V112-L512 HydrophobicContact CB-CB 4.23Å; V112-L512 HydrophobicContact CB-CD2 3.81Å; V112-L512 HydrophobicContact CG1-CD2 4.04Å; V112-F513 HydrophobicContact CG2-CB 4.17Å; V112-F513 HydrophobicContact CG2-CD2 4.05Å
113P64.4Low67Low2 Ų229.3 Ų29.31%0.01315%0.153CC..  trans-58.4135.5173.2-26.534.7000113.2L31 S115 F116 L506L31-P113 HydrophobicContact CD2-CG 3.48Å; L31-P113 VanDerWaalsContact CD2-CG 3.48Å; P113-S115 PolarHBondContact O-N 2.79Å; P113-S115 VanDerWaalsContact O-N 3.12Å; P113-F116 HydrophobicContact CB-CD1 4.24Å; P113-F116 HydrophobicContact CB-CD2 4.39Å; P113-F116 HydrophobicContact CB-CE1 4.25Å; P113-F116 HydrophobicContact CB-CE2 4.41Å; P113-F116 HydrophobicContact CB-CG 4.28Å; P113-F116 HydrophobicContact CB-CZ 4.32Å; P113-F116 HydrophobicContact CG-CD2 4.17Å; P113-F116 HydrophobicContact CG-CE1 4.3Å; P113-F116 HydrophobicContact CG-CE2 3.82Å; P113-F116 HydrophobicContact CG-CZ 3.88Å; P113-F116 WeakPolarHBondContact O-CB 3.49Å; P113-F116 PolarHBondContact O-N 2.99Å; P113-L506 HydrophobicContact CB-CD1 3.78Å; P113-L506 HydrophobicContact CG-CD1 4.47Å
114R61.4Low67.2Low40 Ų4026.4 Ų26.415%0.15114%0.142CC..G310 helixtrans-51.3-38.3173.8-171.5-169.6-176.193.86113V112 F116 L117 A122 D126 S420 L506V112-R114 PolarHBondContact O-N 3.33Å; R114-F116 PolarHBondContact O-N 2.79Å; R114-L117 WeakPolarHBondContact O-CB 3.44Å; R114-L117 PolarHBondContact O-N 3.13Å; R114-A122 HydrophobicContact CG-CB 4.09Å; R114-D126 IonicContact CZ-OD1 3.69Å; R114-D126 IonicContact CZ-OD2 3.72Å; R114-D126 VanDerWaalsContact NH1-CG 3.28Å; R114-D126 IonicContact NH1-OD1 3.53Å; R114-D126 PolarHBondContact NH1-OD1 2.64Å; R114-D126 IonicContact NH1-OD2 3.82Å; R114-D126 PolarHBondContact NH1-OD2 2.94Å; R114-D126 VanDerWaalsContact NH1-OD2 3.12Å; R114-D126 IonicContact NH2-OD1 2.91Å; R114-D126 IonicContact NH2-OD2 2.89Å; R114-D126 PolarHBondContact NH2-OD2 3.09Å; R114-S420 PolarHBondContact NH2-OG 3.35Å; R114-L506 HydrophobicContact CB-CD2 4.31Å
115S63.6Low67.2Low48 Ų4824.3 Ų24.334%0.33613%0.13SC..G310 helixtrans-62-14179.767.40000114.4P113 L117P113-S115 PolarHBondContact O-N 2.79Å; P113-S115 VanDerWaalsContact O-N 3.12Å; S115-L117 VanDerWaalsContact C-N 3.35Å
116F70.2Confident66.6Low7 Ų727 Ų273%0.03115%0.146CC..G310 helixtrans-86.2-13.1175.4-65.31.7000111.7L31 K35 F46 V47 K48 V112 P113 R114L31-F116 HydrophobicContact CD2-CE2 4.29Å; L31-F116 HydrophobicContact CD2-CZ 4.11Å; K35-F116 HydrophobicContact CD-CE1 4.44Å; K35-F116 HydrophobicContact CD-CE2 4.16Å; K35-F116 HydrophobicContact CD-CZ 4Å; K35-F116 HydrophobicContact CG-CD2 3.67Å; K35-F116 HydrophobicContact CG-CE1 4.26Å; K35-F116 HydrophobicContact CG-CE2 3.3Å; K35-F116 HydrophobicContact CG-CG 4.31Å; K35-F116 HydrophobicContact CG-CZ 3.65Å; F46-F116 CarbonylContact C-O 3.55Å; F46-F116 WeakPolarHBondContact CA-O 3.39Å; F46-F116 HydrophobicContact CD1-CB 3.81Å; F46-F116 HydrophobicContact CE1-CB 3.85Å; F46-F116 HydrophobicContact CE1-CD2 4.35Å; V47-F116 PolarHBondContact N-O 3.45Å; K48-F116 HydrophobicContact CB-CD1 4.3Å; K48-F116 HydrophobicContact CD-CD1 4.16Å; K48-F116 HydrophobicContact CD-CE1 4.12Å; V112-F116 HydrophobicContact CG1-CB 4.13Å; V112-F116 HydrophobicContact CG1-CD2 4.16Å; P113-F116 HydrophobicContact CB-CD1 4.24Å; P113-F116 HydrophobicContact CB-CD2 4.39Å; P113-F116 HydrophobicContact CB-CE1 4.25Å; P113-F116 HydrophobicContact CB-CE2 4.41Å; P113-F116 HydrophobicContact CB-CG 4.28Å; P113-F116 HydrophobicContact CB-CZ 4.32Å; P113-F116 HydrophobicContact CG-CD2 4.17Å; P113-F116 HydrophobicContact CG-CE1 4.3Å; P113-F116 HydrophobicContact CG-CE2 3.82Å; P113-F116 HydrophobicContact CG-CZ 3.88Å; P113-F116 WeakPolarHBondContact O-CB 3.49Å; P113-F116 PolarHBondContact O-N 2.99Å; R114-F116 PolarHBondContact O-N 2.79Å
117L70.6Confident66.6Low9 Ų930.2 Ų30.25%0.04716%0.162CC..BIsolated β-bridgetrans-92.3156.4-173.3-54.4177.9000114.1H45 F46 V47 V112 R114 S115 A121 A122 L512H45-L117 CarbonylContact O-C 3.57Å; H45-L117 WeakPolarHBondContact O-CA 3.41Å; F46-L117 HydrophobicContact CD2-CD2 4.41Å; F46-L117 HydrophobicContact CE2-CD2 4.1Å; F46-L117 HydrophobicContact CZ-CD2 4.19Å; V47-L117 VanDerWaalsContact CG2-O 3.3Å; V47-L117 WeakPolarHBondContact CG2-O 3.47Å; V112-L117 HydrophobicContact CG1-CD2 4.36Å; R114-L117 WeakPolarHBondContact O-CB 3.44Å; R114-L117 PolarHBondContact O-N 3.13Å; S115-L117 VanDerWaalsContact C-N 3.35Å; L117-A121 HydrophobicContact CB-CB 4.17Å; L117-A122 HydrophobicContact CB-CB 4.34Å; L117-A122 HydrophobicContact CD1-CB 4.36Å; L117-L512 HydrophobicContact CD1-CD1 3.97Å; L117-L512 HydrophobicContact CD1-CD2 3.27Å; L117-L512 HydrophobicContact CD1-CG 4.25Å; L117-L512 HydrophobicContact CD2-CD2 3.29Å; L117-L512 HydrophobicContact CG-CD2 3.69Å
118T69.6Low66.6Low32 Ų3228.7 Ų28.720%0.19617%0.165CC..  trans-68.5152.2164.159.90000110.4Q44 H45 V47 H120 A121 A122Q44-T118 VanDerWaalsContact O-CG2 3.26Å; Q44-T118 WeakPolarHBondContact O-CG2 3.12Å; H45-T118 PolarHBondContact O-N 3.33Å; V47-T118 HydrophobicContact CG2-CG2 3.59Å; T118-H120 PolarHBondContact O-N 3.44Å; T118-H120 VanDerWaalsContact O-N 3.14Å; T118-A121 PolarHBondContact O-N 2.93Å; T118-A121 VanDerWaalsContact O-N 3.08Å; T118-A121 PolarHBondContact OG1-N 3.21Å; T118-A122 PolarHBondContact O-N 3.28Å
119A68.4Low66.3Low43 Ų4333.9 Ų33.936%0.35519%0.187SC..Hα-helixtrans-39.2-48.5169.500000113.9A123A119-A123 WeakPolarHBondContact O-CB 3.23Å; A119-A123 PolarHBondContact O-N 3.5Å
120H71Confident66Low43 Ų4335.6 Ų35.620%0.19920%0.2CC..Hα-helixtrans-67.6-48.8-179.6-179.869.2000112.1T118 A122 A123 M124 T133T118-H120 PolarHBondContact O-N 3.44Å; T118-H120 VanDerWaalsContact O-N 3.14Å; H120-A122 VanDerWaalsContact C-N 3.3Å; H120-A122 PolarHBondContact O-N 2.84Å; H120-A123 PolarHBondContact O-N 3.37Å; H120-A123 VanDerWaalsContact O-N 3.16Å; H120-M124 WeakPolarHBondContact O-CG 3.4Å; H120-M124 PolarHBondContact O-N 2.87Å; H120-T133 PolarHBondContact CE1-O 2.97Å; H120-T133 VanDerWaalsContact CE1-O 3.25Å; H120-T133 PolarHBondContact NE2-O 3.24Å
121A73Confident66Low0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-61.2-40.9179.900000111.8H45 L117 T118 A125H45-A121 HydrophobicContact CB-CB 3.85Å; L117-A121 HydrophobicContact CB-CB 4.17Å; T118-A121 PolarHBondContact O-N 2.93Å; T118-A121 VanDerWaalsContact O-N 3.08Å; T118-A121 PolarHBondContact OG1-N 3.21Å; A121-A125 WeakPolarHBondContact O-CB 3.37Å; A121-A125 PolarHBondContact O-N 3.08Å
122A69Low65.9Low1 Ų138.6 Ų38.61%0.00821%0.214CC..Hα-helixtrans-63.2-42.6174.800000112.1R114 L117 T118 H120 A125 D126R114-A122 HydrophobicContact CG-CB 4.09Å; L117-A122 HydrophobicContact CB-CB 4.34Å; L117-A122 HydrophobicContact CD1-CB 4.36Å; T118-A122 PolarHBondContact O-N 3.28Å; H120-A122 VanDerWaalsContact C-N 3.3Å; H120-A122 PolarHBondContact O-N 2.84Å; A122-A125 PolarHBondContact O-N 3.02Å; A122-D126 VanDerWaalsContact O-CG 3.26Å; A122-D126 PolarHBondContact O-N 3.04Å
123A66.8Low65.8Low28 Ų2840.2 Ų40.223%0.23122%0.224CC..Hα-helixtrans-67.8-40.7177.700000113A119 H120 A125 D126 L127A119-A123 WeakPolarHBondContact O-CB 3.23Å; A119-A123 PolarHBondContact O-N 3.5Å; H120-A123 PolarHBondContact O-N 3.37Å; H120-A123 VanDerWaalsContact O-N 3.16Å; A123-A125 VanDerWaalsContact C-N 3.31Å; A123-D126 PolarHBondContact O-N 3.36Å; A123-L127 WeakPolarHBondContact O-CG 3.49Å; A123-L127 PolarHBondContact O-N 3.26Å
124M66.9Low65.5Low18 Ų1845.2 Ų45.29%0.08926%0.256CS..Hα-helixtrans-64.9-38.8175.4-66.9-54.2105.100111.2H120 D126 L127 N128 K129 I131 T133H120-M124 WeakPolarHBondContact O-CG 3.4Å; H120-M124 PolarHBondContact O-N 2.87Å; M124-D126 VanDerWaalsContact C-N 3.34Å; M124-D126 PolarHBondContact O-N 2.84Å; M124-L127 HydrophobicContact CE-CD1 4Å; M124-L127 PolarHBondContact O-N 3.37Å; M124-N128 PolarHBondContact O-N 3Å; M124-K129 CarbonylContact C-O 3.53Å; M124-K129 PolarHBondContact O-N 2.92Å; M124-K129 VanDerWaalsContact O-O 3.1Å; M124-K129 HydrophobicContact SD-CB 4.28Å; M124-I131 HydrophobicContact CB-CG2 4.42Å; M124-T133 HydrophobicContact SD-CG2 3.91Å
125A65.7Low65.4Low5 Ų547.9 Ų47.94%0.04128%0.277CS..Hα-helixtrans-61.4-40.6174.100000112.4A121 A122 A123 N128 I510 L512 R515A121-A125 WeakPolarHBondContact O-CB 3.37Å; A121-A125 PolarHBondContact O-N 3.08Å; A122-A125 PolarHBondContact O-N 3.02Å; A123-A125 VanDerWaalsContact C-N 3.31Å; A125-N128 PolarHBondContact O-N 2.93Å; A125-I510 HydrophobicContact CB-CD1 4.04Å; A125-I510 HydrophobicContact CB-CG2 4.47Å; A125-L512 HydrophobicContact CB-CD1 3.68Å; A125-R515 PolarHBondContact O-NH1 3.11Å
126D58.9Low64.7Low74 Ų7450.5 Ų50.540%0.39629%0.293SS..Hα-helixtrans-64-42.3175.4-68.6-20.4000112.5R114 A122 A123 M124 N128 S420R114-D126 IonicContact CZ-OD1 3.69Å; R114-D126 IonicContact CZ-OD2 3.72Å; R114-D126 VanDerWaalsContact NH1-CG 3.28Å; R114-D126 IonicContact NH1-OD1 3.53Å; R114-D126 PolarHBondContact NH1-OD1 2.64Å; R114-D126 IonicContact NH1-OD2 3.82Å; R114-D126 PolarHBondContact NH1-OD2 2.94Å; R114-D126 VanDerWaalsContact NH1-OD2 3.12Å; R114-D126 IonicContact NH2-OD1 2.91Å; R114-D126 IonicContact NH2-OD2 2.89Å; R114-D126 PolarHBondContact NH2-OD2 3.09Å; A122-D126 VanDerWaalsContact O-CG 3.26Å; A122-D126 PolarHBondContact O-N 3.04Å; A123-D126 PolarHBondContact O-N 3.36Å; M124-D126 VanDerWaalsContact C-N 3.34Å; M124-D126 PolarHBondContact O-N 2.84Å; D126-N128 PolarHBondContact O-N 3.33Å; D126-S420 VanDerWaalsContact OD2-CB 3.22Å; D126-S420 WeakPolarHBondContact OD2-CB 3.38Å; D126-S420 PolarHBondContact OD2-OG 3.2Å
127L65.2Low63.1Low102 Ų10261.3 Ų61.353%0.53433%0.333SS..THydrogen-bonded Turntrans-74.30.8178.9-68.2174.4000113.3A123 M124 K129A123-L127 WeakPolarHBondContact O-CG 3.49Å; A123-L127 PolarHBondContact O-N 3.26Å; M124-L127 HydrophobicContact CE-CD1 4Å; M124-L127 PolarHBondContact O-N 3.37Å; L127-K129 HydrophobicContact CB-CB 4.37Å; L127-K129 HydrophobicContact CB-CD 4.08Å; L127-K129 HydrophobicContact CB-CG 3.97Å; L127-K129 HydrophobicContact CD1-CD 4.32Å; L127-K129 PolarHBondContact O-N 3.38Å
128N62.7Low61.3Low112 Ų11270.5 Ų70.560%0.59937%0.368SS*.THydrogen-bonded Turntrans56.532.2-173.5-151.737.8000112.7M124 A125 D126 R515M124-N128 PolarHBondContact O-N 3Å; A125-N128 PolarHBondContact O-N 2.93Å; D126-N128 PolarHBondContact O-N 3.33Å; N128-R515 PolarHBondContact OD1-NH1 2.78Å; N128-R515 PolarHBondContact OD1-NH2 2.77Å
129K63.5Low59.3Low111 Ų11174.8 Ų74.848%0.48339%0.394SS..  trans-106.7157.4179.6-70.1-176.5-179.8-178.40110.5M124 L127 I131M124-K129 CarbonylContact C-O 3.53Å; M124-K129 PolarHBondContact O-N 2.92Å; M124-K129 VanDerWaalsContact O-O 3.1Å; M124-K129 HydrophobicContact SD-CB 4.28Å; L127-K129 HydrophobicContact CB-CB 4.37Å; L127-K129 HydrophobicContact CB-CD 4.08Å; L127-K129 HydrophobicContact CB-CG 3.97Å; L127-K129 HydrophobicContact CD1-CD 4.32Å; L127-K129 PolarHBondContact O-N 3.38Å; K129-I131 PolarHBondContact O-N 3.35Å
130S62.5Low57.4Low38 Ų3880.6 Ų80.627%0.26641%0.407SS..  trans-53.4131.9171.1168.20000110.5L132 T133 D519S130-L132 PolarHBondContact O-N 3.45Å; S130-L132 WeakPolarHBondContact OG-CB 3.11Å; S130-L132 PolarHBondContact OG-N 3.31Å; S130-L132 VanDerWaalsContact OG-N 3.07Å; S130-T133 WeakPolarHBondContact O-CB 3.47Å; S130-T133 PolarHBondContact O-N 2.66Å; S130-T133 PolarHBondContact O-OG1 2.86Å; S130-D519 WeakPolarHBondContact CA-OD2 3.47Å; S130-D519 PolarHBondContact OG-O 2.71Å; S130-D519 VanDerWaalsContact OG-O 3.12Å
131I63.3Low55.7Low2 Ų283.8 Ų83.81%0.0143%0.429CS..THydrogen-bonded Turntrans-62.7-20.3171.756.7117.3000113.5F42 H45 M124 K129 T133 L516 D519F42-I131 HydrophobicContact CD1-CD1 4.43Å; H45-I131 VanDerWaalsContact CD2-CD1 3.45Å; H45-I131 WeakPolarHBondContact CD2-CD1 3.27Å; H45-I131 PolarHBondContact CE1-O 2.91Å; H45-I131 VanDerWaalsContact CE1-O 3.29Å; H45-I131 WeakPolarHBondContact NE2-CD1 3.22Å; M124-I131 HydrophobicContact CB-CG2 4.42Å; K129-I131 PolarHBondContact O-N 3.35Å; I131-T133 VanDerWaalsContact C-N 3.25Å; I131-L516 HydrophobicContact CB-CD2 4.25Å; I131-L516 HydrophobicContact CD1-CD2 3.27Å; I131-L516 HydrophobicContact CD1-CG 4.5Å; I131-L516 HydrophobicContact CG1-CD2 3.67Å; I131-L516 HydrophobicContact CG2-CD2 4.11Å; I131-D519 HydrophobicContact CG1-CB 4.36Å
132L60.5Low54Low84 Ų8491.6 Ų91.644%0.4447%0.471SS..THydrogen-bonded Turntrans-78.4-8.1171.2-63.9-169.8000113S130 P134 D519S130-L132 PolarHBondContact O-N 3.45Å; S130-L132 WeakPolarHBondContact OG-CB 3.11Å; S130-L132 PolarHBondContact OG-N 3.31Å; S130-L132 VanDerWaalsContact OG-N 3.07Å; L132-P134 VanDerWaalsContact O-CD 3.29Å; L132-P134 WeakPolarHBondContact O-CD 3.17Å; L132-D519 WeakPolarHBondContact CD1-O 3.3Å
133T65Low52.4Low45 Ų4596.5 Ų96.528%0.27650%0.497SS..SBendtrans-49.5118.1174.7-59.70000107.4H120 M124 S130 I131 V135H120-T133 PolarHBondContact CE1-O 2.97Å; H120-T133 VanDerWaalsContact CE1-O 3.25Å; H120-T133 PolarHBondContact NE2-O 3.24Å; M124-T133 HydrophobicContact SD-CG2 3.91Å; S130-T133 WeakPolarHBondContact O-CB 3.47Å; S130-T133 PolarHBondContact O-N 2.66Å; S130-T133 PolarHBondContact O-OG1 2.86Å; I131-T133 VanDerWaalsContact C-N 3.25Å; T133-V135 PolarHBondContact O-N 2.9Å
134P58.6Low51.2Low107 Ų107103.7 Ų103.770%0.69553%0.526SS*.PPolyproline II helixtrans-54.6137.7-178-25.132.7000109L132 P136L132-P134 VanDerWaalsContact O-CD 3.29Å; L132-P134 WeakPolarHBondContact O-CD 3.17Å; P134-P136 WeakPolarHBondContact O-CD 3.31Å; P134-P136 VanDerWaalsContact O-N 3.1Å
135V58.3Low50.3Low97 Ų97111.4 Ų111.459%0.58856%0.559SS**PPolyproline II helixtrans-51.1125.7164-1770000105.6T133 R137T133-V135 PolarHBondContact O-N 2.9Å; V135-R137 PolarHBondContact O-N 2.83Å; V135-R137 VanDerWaalsContact O-N 3.08Å
136P48.2Very low49.5Very low103 Ų103115 Ų11567%0.66958%0.58SS**PPolyproline II helixtrans-47126.4178.2-26.231.8000108.3P134 R138P134-P136 WeakPolarHBondContact O-CD 3.31Å; P134-P136 VanDerWaalsContact O-N 3.1Å; P136-R138 PolarHBondContact O-N 2.67Å
137R36.7Very low48.5Very low233 Ų233118.5 Ų118.588%0.87960%0.597SS**PPolyproline II helixtrans-52.9123.2170.9-74.3-171.7-167.1-153.74104.7V135 T139V135-R137 PolarHBondContact O-N 2.83Å; V135-R137 VanDerWaalsContact O-N 3.08Å; R137-T139 PolarHBondContact O-N 3.25Å
138R33Very low47.7Very low203 Ų203117.3 Ų117.377%0.76659%0.592SS**  trans-53.9102166.9-82.5-176.7174.1-170.6-2.9105.4P136 W140P136-R138 PolarHBondContact O-N 2.67Å; R138-W140 PolarHBondContact O-N 2.93Å
139T28.2Very low46.9Very low122 Ų122116.4 Ų116.475%0.74858%0.583SS**  trans-64.797.8163.638.30000103.4R137 V141R137-T139 PolarHBondContact O-N 3.25Å; T139-V141 VanDerWaalsContact C-N 3.28Å; T139-V141 PolarHBondContact O-N 2.8Å
140W28.6Very low46.1Very low164 Ų164118.8 Ų118.862%0.62160%0.597SS**  trans-55.7107.6160.8-61.399.7000104.1R138 N142 K149R138-W140 PolarHBondContact O-N 2.93Å; W140-N142 PolarHBondContact O-N 2.9Å; W140-K149 VanDerWaalsContact CH2-NZ 3.25Å
141V34.4Very low45.6Very low111 Ų111125 Ų12567%0.67362%0.615SS**  trans-57.3114170.6-1770000104.3T139 D143T139-V141 VanDerWaalsContact C-N 3.28Å; T139-V141 PolarHBondContact O-N 2.8Å; V141-D143 HydrophobicContact CG1-CB 4.12Å; V141-D143 PolarHBondContact O-N 3.36Å
142N37.3Very low44.9Very low163 Ų163129.7 Ų129.787%0.87264%0.639SS**  trans-72.554176.9-81-14.6000109.6W140W140-N142 PolarHBondContact O-N 2.9Å
143D35.9Very low44.7Very low105 Ų105131.1 Ų131.156%0.56165%0.646SS**  trans-96.4121.7168.5-130.5-17.2000107.4V141 K145 T146V141-D143 HydrophobicContact CG1-CB 4.12Å; V141-D143 PolarHBondContact O-N 3.36Å; D143-K145 PolarHBondContact O-N 3.39Å; D143-T146 PolarHBondContact O-N 3.47Å; D143-T146 PolarHBondContact O-OG1 3.17Å
144E42.1Very low44.3Very low179 Ų179136.5 Ų136.584%0.83667%0.665SS**G310 helixtrans-55.7-3.1-177.4-92.8179.4139.500114.3T146E144-T146 PolarHBondContact O-N 3.21Å; E144-T146 VanDerWaalsContact O-N 3.13Å
145K47.3Very low43.9Very low179 Ų179134.2 Ų134.278%0.77865%0.652SS**G310 helixtrans-73.46.7171.9-68.4-177.3179175.20114.5D143 I147 D148D143-K145 PolarHBondContact O-N 3.39Å; K145-I147 PolarHBondContact O-N 3Å; K145-D148 PolarHBondContact O-N 3.16Å
146T48.6Very low43.7Very low81 Ų81133.5 Ų133.550%0.49765%0.648SS.*G310 helixtrans-69.8-4.3168.8-51.10000113.3D143 E144 D148 K149D143-T146 PolarHBondContact O-N 3.47Å; D143-T146 PolarHBondContact O-OG1 3.17Å; E144-T146 PolarHBondContact O-N 3.21Å; E144-T146 VanDerWaalsContact O-N 3.13Å; T146-D148 PolarHBondContact O-N 3.18Å; T146-K149 HydrophobicContact CG2-CB 4.01Å; T146-K149 HydrophobicContact CG2-CD 3.94Å; T146-K149 HydrophobicContact CG2-CG 4.41Å; T146-K149 WeakPolarHBondContact O-CB 3.43Å; T146-K149 PolarHBondContact O-N 3.49Å
147I39.5Very low44Very low147 Ų147133.9 Ų133.975%0.75464%0.641SS**Hα-helixtrans-51-26.1167.3-69.8174000111.9K145 K149K145-I147 PolarHBondContact O-N 3Å; I147-K149 PolarHBondContact O-N 3.32Å
148D48.5Very low45.1Very low77 Ų77129 Ų12941%0.41263%0.627SS.*Hα-helixtrans-78.4-9.8176.9-100-21.4000115.2K145 T146 R151 I152K145-D148 PolarHBondContact O-N 3.16Å; T146-D148 PolarHBondContact O-N 3.18Å; D148-R151 WeakPolarHBondContact O-CB 3.34Å; D148-R151 PolarHBondContact O-N 3.48Å; D148-R151 WeakPolarHBondContact OD1-CD 3.31Å; D148-R151 IonicContact OD1-NH1 3.52Å; D148-I152 WeakPolarHBondContact O-CB 3.43Å; D148-I152 VanDerWaalsContact O-CG1 3.22Å; D148-I152 WeakPolarHBondContact O-CG1 3.49Å; D148-I152 PolarHBondContact O-N 3.08Å
149K45.4Very low45.4Very low94 Ų94125.4 Ų125.441%0.40962%0.622SS.*Hα-helixtrans-69.4-38.9179.2-124.2-175.5-171.2177.40112.5W140 T146 I147 R151 I153W140-K149 VanDerWaalsContact CH2-NZ 3.25Å; T146-K149 HydrophobicContact CG2-CB 4.01Å; T146-K149 HydrophobicContact CG2-CD 3.94Å; T146-K149 HydrophobicContact CG2-CG 4.41Å; T146-K149 WeakPolarHBondContact O-CB 3.43Å; T146-K149 PolarHBondContact O-N 3.49Å; I147-K149 PolarHBondContact O-N 3.32Å; K149-R151 VanDerWaalsContact C-N 3.29Å; K149-I153 WeakPolarHBondContact O-CB 3.1Å; K149-I153 VanDerWaalsContact O-CG1 3.24Å; K149-I153 WeakPolarHBondContact O-CG1 3.38Å; K149-I153 PolarHBondContact O-N 2.73Å
150M45.4Very low46.2Very low161 Ų161124.5 Ų124.579%0.79362%0.617SS**Hα-helixtrans-68-33.3172.7-105.8-163.9165.800111.4K154M150-K154 WeakPolarHBondContact O-CB 3.39Å; M150-K154 PolarHBondContact O-N 3.08Å
151R52.8Low47Very low167 Ų167124.1 Ų124.163%0.6362%0.619SS**Hα-helixtrans-66.6-46.6174.7-161.9-178.3-155.5174.16.3111.5D148 K149 K154 S155D148-R151 WeakPolarHBondContact O-CB 3.34Å; D148-R151 PolarHBondContact O-N 3.48Å; D148-R151 WeakPolarHBondContact OD1-CD 3.31Å; D148-R151 IonicContact OD1-NH1 3.52Å; K149-R151 VanDerWaalsContact C-N 3.29Å; R151-K154 WeakPolarHBondContact O-CB 3.42Å; R151-K154 PolarHBondContact O-N 3.04Å; R151-S155 WeakPolarHBondContact O-CB 3.46Å; R151-S155 PolarHBondContact O-N 3.27Å; R151-S155 PolarHBondContact O-OG 3.47Å; R151-S155 VanDerWaalsContact O-OG 3.05Å
152I47.8Very low47.1Very low101 Ų101126.7 Ų126.752%0.51862%0.624SS.*Hα-helixtrans-63.8-42.7177-67.9164.1000110.8D148 K154 S155 V156D148-I152 WeakPolarHBondContact O-CB 3.43Å; D148-I152 VanDerWaalsContact O-CG1 3.22Å; D148-I152 WeakPolarHBondContact O-CG1 3.49Å; D148-I152 PolarHBondContact O-N 3.08Å; I152-K154 PolarHBondContact O-N 2.96Å; I152-S155 PolarHBondContact O-N 3.37Å; I152-V156 HydrophobicContact CG2-CG2 4.18Å; I152-V156 WeakPolarHBondContact O-CB 3.34Å; I152-V156 WeakPolarHBondContact O-CG2 3.46Å; I152-V156 PolarHBondContact O-N 3.18Å
153I57.9Low47Very low115 Ų115128.1 Ų128.159%0.5963%0.625SS**Hα-helixtrans-63.5-42.1175.7-68.7166.7000110.6K149 H157K149-I153 WeakPolarHBondContact O-CB 3.1Å; K149-I153 VanDerWaalsContact O-CG1 3.24Å; K149-I153 WeakPolarHBondContact O-CG1 3.38Å; K149-I153 PolarHBondContact O-N 2.73Å; I153-H157 VanDerWaalsContact O-CB 3.28Å; I153-H157 WeakPolarHBondContact O-CB 3.49Å; I153-H157 PolarHBondContact O-N 2.76Å
154K56.1Low46.7Very low157 Ų157130.5 Ų130.568%0.68364%0.638SS**Hα-helixtrans-59.9-50171.9-99.7-174.6172.9-1780111.4M150 R151 I152 V156 H157 E158M150-K154 WeakPolarHBondContact O-CB 3.39Å; M150-K154 PolarHBondContact O-N 3.08Å; R151-K154 WeakPolarHBondContact O-CB 3.42Å; R151-K154 PolarHBondContact O-N 3.04Å; I152-K154 PolarHBondContact O-N 2.96Å; K154-V156 PolarHBondContact O-N 3.42Å; K154-H157 PolarHBondContact O-N 3.26Å; K154-H157 VanDerWaalsContact O-N 3.12Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 3.38Å
155S50.4Low46.3Very low60 Ų60127.8 Ų127.842%0.4264%0.635SS.*Hα-helixtrans-62-40.4-179.9-63.90000112.5R151 I152 H157 E158 I159R151-S155 WeakPolarHBondContact O-CB 3.46Å; R151-S155 PolarHBondContact O-N 3.27Å; R151-S155 PolarHBondContact O-OG 3.47Å; R151-S155 VanDerWaalsContact O-OG 3.05Å; I152-S155 PolarHBondContact O-N 3.37Å; S155-H157 VanDerWaalsContact C-N 3.35Å; S155-E158 PolarHBondContact O-N 2.96Å; S155-I159 WeakPolarHBondContact O-CB 3.49Å; S155-I159 WeakPolarHBondContact O-CD1 3.47Å; S155-I159 WeakPolarHBondContact O-CG1 3.43Å; S155-I159 PolarHBondContact O-N 2.95Å
156V54Low45.5Very low82 Ų82124.5 Ų124.550%0.49764%0.635SS.*Hα-helixtrans-66-39.8174.4170.70000110.6I152 K154 I159 T160I152-V156 HydrophobicContact CG2-CG2 4.18Å; I152-V156 WeakPolarHBondContact O-CB 3.34Å; I152-V156 WeakPolarHBondContact O-CG2 3.46Å; I152-V156 PolarHBondContact O-N 3.18Å; K154-V156 PolarHBondContact O-N 3.42Å; V156-I159 PolarHBondContact O-N 3.13Å; V156-T160 PolarHBondContact O-N 3.34Å; V156-T160 PolarHBondContact O-OG1 2.88Å
157H53.5Low44.5Very low111 Ų111129.5 Ų129.551%0.51465%0.653SS.*Hα-helixtrans-66.6-39.6177.4-155.871.9000112.3I153 K154 S155 T160 K161I153-H157 VanDerWaalsContact O-CB 3.28Å; I153-H157 WeakPolarHBondContact O-CB 3.49Å; I153-H157 PolarHBondContact O-N 2.76Å; K154-H157 PolarHBondContact O-N 3.26Å; K154-H157 VanDerWaalsContact O-N 3.12Å; S155-H157 VanDerWaalsContact C-N 3.35Å; H157-T160 WeakPolarHBondContact CA-OG1 3.22Å; H157-T160 PolarHBondContact O-N 2.91Å; H157-T160 PolarHBondContact O-OG1 2.85Å; H157-K161 PolarHBondContact O-N 3.08Å
158E59.6Low43.8Very low129 Ų129128.9 Ų128.960%0.60366%0.656SS**Hα-helixtrans-63.3-46.6172.4-69.5-58.6150.900111.3K154 S155 T160 K161K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 3.38Å; S155-E158 PolarHBondContact O-N 2.96Å; E158-T160 VanDerWaalsContact C-N 3.27Å; E158-T160 PolarHBondContact O-N 3.42Å; E158-K161 PolarHBondContact O-N 2.62Å; E158-K161 VanDerWaalsContact O-N 3.08Å
159I40.7Very low42.7Very low129 Ų129132.5 Ų132.566%0.66267%0.673SS**Hα-helixtrans-60.6-36.1177.5-69.6162.5000111.6S155 V156 K161S155-I159 WeakPolarHBondContact O-CB 3.49Å; S155-I159 WeakPolarHBondContact O-CD1 3.47Å; S155-I159 WeakPolarHBondContact O-CG1 3.43Å; S155-I159 PolarHBondContact O-N 2.95Å; V156-I159 PolarHBondContact O-N 3.13Å; I159-K161 VanDerWaalsContact C-N 3.3Å; I159-K161 PolarHBondContact O-N 2.67Å
160T44.9Very low41.7Very low102 Ų102134.2 Ų134.263%0.62669%0.692SS**THydrogen-bonded Turntrans-75.8-11.2178.3400000115V156 H157 E158V156-T160 PolarHBondContact O-N 3.34Å; V156-T160 PolarHBondContact O-OG1 2.88Å; H157-T160 WeakPolarHBondContact CA-OG1 3.22Å; H157-T160 PolarHBondContact O-N 2.91Å; H157-T160 PolarHBondContact O-OG1 2.85Å; E158-T160 VanDerWaalsContact C-N 3.27Å; E158-T160 PolarHBondContact O-N 3.42Å
161K45.9Very low40.6Very low157 Ų157132.1 Ų132.168%0.68369%0.689SS**THydrogen-bonded Turntrans-92.3-13.4-179.1-100.2-174.3177.41800115.1H157 E158 I159H157-K161 PolarHBondContact O-N 3.08Å; E158-K161 PolarHBondContact O-N 2.62Å; E158-K161 VanDerWaalsContact O-N 3.08Å; I159-K161 VanDerWaalsContact C-N 3.3Å; I159-K161 PolarHBondContact O-N 2.67Å
162E34.7Very low39.3Very low165 Ų165130.7 Ų130.777%0.77170%0.699SS**  trans-117.186.5-178.3-75.8-170.6153.400112.2
163Q36.9Very low38Very low192 Ų192131.7 Ų131.790%0.89771%0.709SS**  trans-153.773.2137.9-75.6-141.8-15.600110.1
164L29.5Very low36.6Very low156 Ų156132.4 Ų132.482%0.81772%0.719SS**  trans-134.3103.3147.9-160.778.4000107.5S166L164-S166 PolarHBondContact O-N 2.74Å
165P33Very low35.3Very low122 Ų122132.2 Ų132.279%0.79272%0.724SS**  trans-78.7106.5179.6-5.221.3000110.2
166S30.3Very low34.1Very low110 Ų110136.6 Ų136.677%0.76974%0.738SS**  trans-83.5122.5155.3-67.40000108.4L164L164-S166 PolarHBondContact O-N 2.74Å
167Q26.9Very low32.9Very low186 Ų186138.8 Ų138.887%0.86975%0.754SS**  trans-68.1125178.7-63.3170.5-11.200110.3
168T25.7Very low31.6Very low134 Ų134138.6 Ų138.682%0.82276%0.761SS**  trans-147.6126.2149.3-53.40000109.5
169I24.9Very low30.3Very low152 Ų152141.2 Ų141.278%0.77977%0.773SS**  trans-82.8125.3-179.2-65.1161.4000108.1
170T25.7Very low29.7Very low130 Ų130144.5 Ų144.580%0.79878%0.782SS**  trans-146109.3149.2-37.40000110.4
171T20.7Very low28.8Very low118 Ų118151.3 Ų151.372%0.72480%0.797SS**  trans-52132.5158.724.80000112.1
172T25.6Very low27.9Very low137 Ų137149.9 Ų149.984%0.8480%0.801SS**  trans-159.6129.7133.8-62.10000110.1
173T21.5Very low27.6Very low121 Ų121147.4 Ų147.474%0.74280%0.799SS**  trans-75.7131.1179.2-42.50000111.9
174T27.8Very low27.3Very low130 Ų130148.6 Ų148.680%0.79880%0.801SS**  trans-171.5109.7138.12.20000113.2
175I29.7Very low27.3Very low154 Ų154152.8 Ų152.879%0.7981%0.806SS**  trans30.9124.2137.2-50.6176.2000121.1
176E25Very low27.2Very low151 Ų151156.6 Ų156.671%0.70681%0.811SS**  trans-3153.5159.8-49-158.5150.300123.2V178E176-V178 VanDerWaalsContact OE2-CG2 3.29Å; E176-V178 WeakPolarHBondContact OE2-CG2 3.32Å
177P27.6Very low27.7Very low128 Ų128154 Ų15483%0.83180%0.795SS**  -130.414186.930.9-16.8000114.8E179P177-E179 PolarHBondContact O-N 3.05Å
178V28Very low28.7Very low108 Ų108152.3 Ų152.366%0.65579%0.793SS**  trans-66.9103.5175.6173.30000110.9E176E176-V178 VanDerWaalsContact OE2-CG2 3.29Å; E176-V178 WeakPolarHBondContact OE2-CG2 3.32Å
179E31.4Very low30Very low184 Ų184149 Ų14986%0.8677%0.772SS**  trans-84.6126.2163.8-92.5-172.3162.300111.3P177 R181P177-E179 PolarHBondContact O-N 3.05Å; E179-R181 PolarHBondContact O-N 2.86Å
180K27.4Very low31.8Very low197 Ų197144.5 Ų144.586%0.85775%0.749SS**  trans-56111.2-178.7-66.1169.8179.21740110.6T182K180-T182 PolarHBondContact O-N 2.86Å
181R27.5Very low34.3Very low246 Ų246139.3 Ų139.393%0.92872%0.716SS**  trans-61.8103.9169.5-70.2179.5172.3-179.7-1.5109.7E179E179-R181 PolarHBondContact O-N 2.86Å
182T26.7Very low37.1Very low126 Ų126138 Ų13877%0.77371%0.71SS**  trans-59.9140.4164.120.80000109.8K180 K184K180-T182 PolarHBondContact O-N 2.86Å; T182-K184 PolarHBondContact O-N 3.17Å
183P28.3Very low39.7Very low114 Ų114134.1 Ų134.174%0.7468%0.683SS**  trans-70.5130.5-167.526.9-31.9000110.9R185P183-R185 PolarHBondContact O-N 2.88Å
184K29.6Very low42.8Very low216 Ų216129.4 Ų129.494%0.93965%0.654SS**  trans-53.493.5172.9-68.2177.9176.8179.40110T182T182-K184 PolarHBondContact O-N 3.17Å
185R30.4Very low45.3Very low244 Ų244129.5 Ų129.592%0.92165%0.649SS**PPolyproline II helixtrans-72.3131172.8-109.8179173.6172.4-2.6108.8P183 A187P183-R185 PolarHBondContact O-N 2.88Å; R185-A187 PolarHBondContact O-N 2.92Å
186K31.5Very low47.7Very low203 Ų203125.3 Ų125.388%0.88363%0.632SS**PPolyproline II helixtrans-53.7121176.6-70.2178.6176.8179.90108.7D188K186-D188 PolarHBondContact O-N 3.01Å
187A40.3Very low50.2Low54 Ų54121.6 Ų121.645%0.44663%0.634SS.*PPolyproline II helixtrans-57.2130169.300000107.9R185 T189 I431R185-A187 PolarHBondContact O-N 2.92Å; A187-T189 PolarHBondContact O-N 2.74Å; A187-I431 HydrophobicContact CB-CD1 4.46Å
188D46.8Very low52.9Low152 Ų152118.5 Ų118.581%0.81361%0.613SS**  trans-54.8108.7166.1-80.9-33.7000106.9K186 L190K186-D188 PolarHBondContact O-N 3.01Å; D188-L190 PolarHBondContact O-N 3.28Å; D188-L190 VanDerWaalsContact O-N 3.14Å
189T53Low55.8Low63 Ų63118.7 Ų118.739%0.38762%0.616SS.*  trans-64.9116.6-176.931.50000108.5A187 F191 L380A187-T189 PolarHBondContact O-N 2.74Å; T189-F191 PolarHBondContact O-N 3.47Å; T189-L380 WeakPolarHBondContact CG2-O 3.4Å
190L64.4Low58.7Low58 Ų58111.9 Ų111.930%0.30459%0.585SS.*SBendtrans-49.2-33.1-178-178.668.8000113.1D188 F423 P424 Y427D188-L190 PolarHBondContact O-N 3.28Å; D188-L190 VanDerWaalsContact O-N 3.14Å; L190-F423 HydrophobicContact CD2-CD1 4.2Å; L190-P424 HydrophobicContact CD1-CG 4.33Å; L190-Y427 HydrophobicContact CD2-CD2 3.29Å; L190-Y427 HydrophobicContact CD2-CE2 3.52Å
191F76.6Confident61.6Low21 Ų21105.7 Ų105.79%0.09257%0.571CS.*SBendtrans-122.4111.8171.4-48.3-77.2000108.7T189 L193 F379 L406 F414 W421 F423T189-F191 PolarHBondContact O-N 3.47Å; F191-L193 PolarHBondContact O-N 2.75Å; F191-F379 AromaticContact CD2-CD1 3.98Å; F191-F379 HydrophobicContact CD2-CD1 3.98Å; F191-F379 AromaticContact CE2-CD1 3.82Å; F191-F379 HydrophobicContact CE2-CD1 3.82Å; F191-F379 HydrophobicContact CE2-CE1 4.21Å; F191-L406 HydrophobicContact CB-CD1 3.75Å; F191-L406 HydrophobicContact CB-CD2 3.9Å; F191-L406 HydrophobicContact CB-CG 4.4Å; F191-L406 HydrophobicContact CG-CD2 4.5Å; F191-F414 HydrophobicContact CB-CZ 4.3Å; F191-F414 AromaticContact CD1-CE2 3.6Å; F191-F414 HydrophobicContact CD1-CE2 3.6Å; F191-F414 AromaticContact CD1-CZ 3.69Å; F191-F414 HydrophobicContact CD1-CZ 3.69Å; F191-F414 HydrophobicContact CD2-CZ 4.03Å; F191-F414 AromaticContact CE1-CE2 3.62Å; F191-F414 HydrophobicContact CE1-CE2 3.62Å; F191-F414 AromaticContact CE1-CZ 3.93Å; F191-F414 HydrophobicContact CE1-CZ 3.93Å; F191-F414 HydrophobicContact CE2-CZ 4.23Å; F191-F414 HydrophobicContact CG-CE2 4.15Å; F191-F414 AromaticContact CG-CZ 3.74Å; F191-F414 HydrophobicContact CG-CZ 3.74Å; F191-F414 HydrophobicContact CZ-CE2 4.16Å; F191-F414 HydrophobicContact CZ-CZ 4.19Å; F191-W421 HydrophobicContact CE1-CZ2 4.49Å; F191-W421 AromaticContact CZ-CZ2 3.9Å; F191-W421 HydrophobicContact CZ-CZ2 3.9Å; F191-F423 HydrophobicContact CE2-CD1 4.25Å; F191-F423 AromaticContact CE2-CE1 3.99Å; F191-F423 HydrophobicContact CE2-CE1 3.99Å; F191-F423 HydrophobicContact CZ-CD1 4.18Å; F191-F423 HydrophobicContact CZ-CE1 4.34Å
192P79.2Confident64.3Low92 Ų9295.5 Ų95.560%0.59753%0.533SS*.PPolyproline II helixtrans-65.9129.9178.326.5-32.4000109.8
193L81.5Confident67.3Low54 Ų5492.6 Ų92.628%0.28351%0.513SS..PPolyproline II helixtrans-69.1133.1174.8-169.976.4000109.6F191 L380 D402 L406F191-L193 PolarHBondContact O-N 2.75Å; L193-L380 HydrophobicContact CD1-CD2 4.08Å; L193-D402 HydrophobicContact CD1-CB 3.81Å; L193-D402 VanDerWaalsContact CD1-O 3.27Å; L193-D402 WeakPolarHBondContact CD1-O 3.22Å; L193-D402 HydrophobicContact CD2-CB 4.19Å; L193-L406 HydrophobicContact CD1-CB 4.14Å
194P85.5Confident70.5Confident22 Ų2287.9 Ų87.914%0.14348%0.481CS..PPolyproline II helixtrans-63148.3175.129.7-39.7000111.4T198 R405P194-T198 HydrophobicContact CB-CG2 4.4Å; P194-R405 HydrophobicContact CG-CB 4.19Å; P194-R405 PolarHBondContact O-NH2 3.18Å
195I82.1Confident73.4Confident132 Ų13279.4 Ų79.468%0.67745%0.447SS*.PPolyproline II helixtrans-63.2137.8173.1-58.7172.1000108.5G197 T198I195-G197 PolarHBondContact O-N 2.99Å; I195-T198 PolarHBondContact N-OG1 2.94Å; I195-T198 VanDerWaalsContact O-CB 3.32Å; I195-T198 WeakPolarHBondContact O-CB 3.33Å; I195-T198 PolarHBondContact O-N 3.12Å; I195-T198 PolarHBondContact O-OG1 2.78Å
196P78.2Confident76.3Confident67 Ų6772 Ų7244%0.43543%0.425SS..THydrogen-bonded Turntrans-52.2130.9175.5-2228.9000111.6K280 R405P196-K280 HydrophobicContact CB-CG 4.24Å; P196-R405 VanDerWaalsContact CD-NH2 3.32Å; P196-R405 VanDerWaalsContact N-NH2 3.19Å
197G77.8Confident79.3Confident72 Ų7262.7 Ų62.774%0.74239%0.385SS*.THydrogen-bonded Turntrans87.70.1-175.700000115.3I195I195-G197 PolarHBondContact O-N 2.99Å
198T85.5Confident81.8Confident64 Ų6461.5 Ų61.539%0.39337%0.372SS..PPolyproline II helixtrans-60.4130.8166-55.10000108.8P194 I195P194-T198 HydrophobicContact CB-CG2 4.4Å; I195-T198 PolarHBondContact N-OG1 2.94Å; I195-T198 VanDerWaalsContact O-CB 3.32Å; I195-T198 WeakPolarHBondContact O-CB 3.33Å; I195-T198 PolarHBondContact O-N 3.12Å; I195-T198 PolarHBondContact O-OG1 2.78Å
199P88.7Confident84Confident112 Ų11254.5 Ų54.573%0.72734%0.335SS*.PPolyproline II helixtrans-58.3143.6176.8-24.333.9000112.4
200D91.5Very high85.6Confident40 Ų4055.3 Ų55.321%0.21434%0.337CS..PPolyproline II helixtrans-65.6141.2175.4-57.1-22.1000110.6F202 R204 L408D200-F202 WeakPolarHBondContact CB-O 3.45Å; D200-F202 PolarHBondContact O-N 3.09Å; D200-R204 VanDerWaalsContact CG-NH2 3.32Å; D200-R204 IonicContact OD1-NH2 2.63Å; D200-R204 PolarHBondContact OD1-NH2 3.05Å; D200-R204 VanDerWaalsContact OD1-NH2 3.08Å; D200-R204 IonicContact OD2-CZ 2.69Å; D200-R204 IonicContact OD2-NE 3.38Å; D200-R204 PolarHBondContact OD2-NE 3.31Å; D200-R204 IonicContact OD2-NH2 3.76Å; D200-R204 PolarHBondContact OD2-NH2 3.47Å; D200-L408 HydrophobicContact CB-CB 4.25Å; D200-L408 HydrophobicContact CB-CD2 4.32Å
201A88.2Confident86.6Confident67 Ų6755.6 Ų55.655%0.55434%0.341SS*.SBendtrans-72.6-17.8174.800000112.8L408 Q410A201-L408 VanDerWaalsContact CB-O 3.23Å; A201-L408 WeakPolarHBondContact CB-O 3.32Å; A201-L408 PolarHBondContact N-O 2.77Å; A201-Q410 WeakPolarHBondContact CB-O 3.41Å
202F85.4Confident87Confident32 Ų3261 Ų6114%0.1437%0.366CS..SBendtrans-151.5163173.863-89.6000110.7D200 R204 L206 L207 K407 L408 L412D200-F202 WeakPolarHBondContact CB-O 3.45Å; D200-F202 PolarHBondContact O-N 3.09Å; F202-R204 PolarHBondContact O-N 2.93Å; F202-R204 VanDerWaalsContact O-N 3.17Å; F202-L206 HydrophobicContact CD2-CD1 4.31Å; F202-L207 HydrophobicContact CE2-CD1 4.15Å; F202-L207 HydrophobicContact CE2-CD2 3.83Å; F202-L207 HydrophobicContact CE2-CG 3.87Å; F202-L207 HydrophobicContact CZ-CD1 4.21Å; F202-L207 HydrophobicContact CZ-CD2 4.07Å; F202-L207 HydrophobicContact CZ-CG 4.32Å; F202-K407 WeakPolarHBondContact CE1-O 3.22Å; F202-K407 HydrophobicContact CZ-CG 4.33Å; F202-L408 HydrophobicContact CD2-CD2 4.37Å; F202-L408 HydrophobicContact CE1-CD2 4.45Å; F202-L408 HydrophobicContact CE2-CD2 3.81Å; F202-L408 HydrophobicContact CZ-CD2 3.86Å; F202-L412 HydrophobicContact CD2-CD1 4.17Å; F202-L412 HydrophobicContact CE2-CB 4.43Å; F202-L412 HydrophobicContact CE2-CD1 3.66Å; F202-L412 HydrophobicContact CZ-CB 4.47Å; F202-L412 HydrophobicContact CZ-CD1 4.15Å
203D89.9Confident87.3Confident65 Ų6559.1 Ų59.135%0.34835%0.35SS..  trans-61.2116.5-178.5-171.4-27.7000112T205 L206 A251D203-T205 PolarHBondContact O-N 2.92Å; D203-T205 VanDerWaalsContact O-N 3.13Å; D203-T205 VanDerWaalsContact OD1-CB 3.28Å; D203-T205 WeakPolarHBondContact OD1-CB 3.22Å; D203-T205 VanDerWaalsContact OD1-CG2 3.27Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.23Å; D203-T205 PolarHBondContact OD1-N 3.24Å; D203-T205 PolarHBondContact OD1-OG1 3.18Å; D203-T205 PolarHBondContact OD2-OG1 3.24Å; D203-L206 HydrophobicContact CB-CD1 4.4Å; D203-L206 HydrophobicContact CB-CG 4.32Å; D203-L206 VanDerWaalsContact O-CB 3.3Å; D203-L206 WeakPolarHBondContact O-CB 3.19Å; D203-L206 WeakPolarHBondContact O-CG 3.35Å; D203-L206 PolarHBondContact O-N 3.26Å; D203-A251 HydrophobicContact CB-CB 4.4Å
204R94.2Very high87.6Confident16 Ų1656.9 Ų56.96%0.0634%0.338CS..G310 helixtrans-56.7-25.2178.664.8-176.764.3-168-12.5114.2D200 F202 L206 L207 A251 S253 E279 I333 L408D200-R204 VanDerWaalsContact CG-NH2 3.32Å; D200-R204 IonicContact OD1-NH2 2.63Å; D200-R204 PolarHBondContact OD1-NH2 3.05Å; D200-R204 VanDerWaalsContact OD1-NH2 3.08Å; D200-R204 IonicContact OD2-CZ 2.69Å; D200-R204 IonicContact OD2-NE 3.38Å; D200-R204 PolarHBondContact OD2-NE 3.31Å; D200-R204 IonicContact OD2-NH2 3.76Å; D200-R204 PolarHBondContact OD2-NH2 3.47Å; F202-R204 PolarHBondContact O-N 2.93Å; F202-R204 VanDerWaalsContact O-N 3.17Å; R204-L206 PolarHBondContact O-N 3.12Å; R204-L207 WeakPolarHBondContact O-CB 3.33Å; R204-L207 PolarHBondContact O-N 3.05Å; R204-A251 PolarHBondContact NE-O 2.68Å; R204-S253 WeakPolarHBondContact CD-O 3.37Å; R204-S253 PolarHBondContact NH1-O 3.3Å; R204-E279 IonicContact CZ-OE1 3.94Å; R204-E279 IonicContact CZ-OE2 2.69Å; R204-E279 IonicContact NH1-OE1 3.28Å; R204-E279 PolarHBondContact NH1-OE1 2.82Å; R204-E279 IonicContact NH1-OE2 3.3Å; R204-E279 PolarHBondContact NH1-OE2 3.36Å; R204-E279 IonicContact NH2-OE1 3.47Å; R204-E279 PolarHBondContact NH2-OE1 3.2Å; R204-E279 IonicContact NH2-OE2 3.55Å; R204-I333 HydrophobicContact CG-CD1 4.18Å; R204-L408 HydrophobicContact CB-CD1 4.08Å; R204-L408 HydrophobicContact CB-CD2 3.7Å
205T91.3Very high87.6Confident37 Ų3758.5 Ų58.523%0.22734%0.342CS..G310 helixtrans-63.1-21.917765.80000112.5D203 L207 V208 V249 S250D203-T205 PolarHBondContact O-N 2.92Å; D203-T205 VanDerWaalsContact O-N 3.13Å; D203-T205 VanDerWaalsContact OD1-CB 3.28Å; D203-T205 WeakPolarHBondContact OD1-CB 3.22Å; D203-T205 VanDerWaalsContact OD1-CG2 3.27Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.23Å; D203-T205 PolarHBondContact OD1-N 3.24Å; D203-T205 PolarHBondContact OD1-OG1 3.18Å; D203-T205 PolarHBondContact OD2-OG1 3.24Å; T205-L207 PolarHBondContact O-N 3.15Å; T205-V208 WeakPolarHBondContact O-CB 3.32Å; T205-V208 PolarHBondContact O-N 3.05Å; T205-V208 VanDerWaalsContact O-N 3.16Å; T205-V249 HydrophobicContact CG2-CB 4.04Å; T205-V249 HydrophobicContact CG2-CG2 3.79Å; T205-S250 WeakPolarHBondContact CG2-O 3.24Å
206L90.5Very high87.9Confident89 Ų8957.1 Ų57.147%0.46633%0.332SS..G310 helixtrans-66.7-16.1173.9-62.3176.4000113.4F202 D203 R204 L412F202-L206 HydrophobicContact CD2-CD1 4.31Å; D203-L206 HydrophobicContact CB-CD1 4.4Å; D203-L206 HydrophobicContact CB-CG 4.32Å; D203-L206 VanDerWaalsContact O-CB 3.3Å; D203-L206 WeakPolarHBondContact O-CB 3.19Å; D203-L206 WeakPolarHBondContact O-CG 3.35Å; D203-L206 PolarHBondContact O-N 3.26Å; R204-L206 PolarHBondContact O-N 3.12Å; L206-L412 HydrophobicContact CB-CD1 4.1Å; L206-L412 HydrophobicContact CD1-CD2 4.46Å
207L93.8Very high88.4Confident8 Ų854.8 Ų54.84%0.04232%0.315CS..G310 helixtrans-91-13176.1-57.7-176.2000113.3F202 R204 T205 I354 I359 V404 K407 L408 L412F202-L207 HydrophobicContact CE2-CD1 4.15Å; F202-L207 HydrophobicContact CE2-CD2 3.83Å; F202-L207 HydrophobicContact CE2-CG 3.87Å; F202-L207 HydrophobicContact CZ-CD1 4.21Å; F202-L207 HydrophobicContact CZ-CD2 4.07Å; F202-L207 HydrophobicContact CZ-CG 4.32Å; R204-L207 WeakPolarHBondContact O-CB 3.33Å; R204-L207 PolarHBondContact O-N 3.05Å; T205-L207 PolarHBondContact O-N 3.15Å; L207-I354 HydrophobicContact CB-CD1 3.81Å; L207-I354 HydrophobicContact CB-CG1 3.91Å; L207-I354 HydrophobicContact CB-CG2 4.12Å; L207-I354 HydrophobicContact CD1-CD1 4.47Å; L207-I359 HydrophobicContact CB-CG2 4.29Å; L207-I359 HydrophobicContact CD1-CD1 4.43Å; L207-I359 HydrophobicContact CD2-CG2 4.14Å; L207-V404 HydrophobicContact CD1-CG1 4.38Å; L207-K407 HydrophobicContact CD1-CD 4.18Å; L207-K407 HydrophobicContact CD2-CD 3.92Å; L207-K407 VanDerWaalsContact CD2-CE 3.43Å; L207-L408 HydrophobicContact CD1-CD2 3.74Å; L207-L408 HydrophobicContact CD1-CG 4.09Å; L207-L412 HydrophobicContact CD2-CD1 3.65Å
208V93.9Very high88.9Confident28 Ų2856.1 Ų56.117%0.1731%0.305CS..SBendtrans-68.5132.3-177.8175.70000110.1T205 N210 I333 V353 I354T205-V208 WeakPolarHBondContact O-CB 3.32Å; T205-V208 PolarHBondContact O-N 3.05Å; T205-V208 VanDerWaalsContact O-N 3.16Å; V208-N210 PolarHBondContact O-N 2.69Å; V208-I333 HydrophobicContact CG2-CD1 4.32Å; V208-I333 HydrophobicContact CG2-CG2 4.32Å; V208-V353 CarbonylContact C-O 3.38Å; V208-V353 WeakPolarHBondContact CA-O 3.18Å; V208-I354 HydrophobicContact CG2-CG1 4.18Å
209L92.3Very high89.3Confident6 Ų653.2 Ų53.23%0.03129%0.287CS..PPolyproline II helixtrans-64.4130.1178.6-60.4-175.7000110.7Q213 M214 V219 V353 D355 V358L209-Q213 HydrophobicContact CB-CB 4.12Å; L209-Q213 HydrophobicContact CD2-CB 4.07Å; L209-M214 HydrophobicContact CB-CG 3.81Å; L209-V219 HydrophobicContact CD1-CG2 4.14Å; L209-V353 HydrophobicContact CD1-CG1 4.11Å; L209-V353 WeakPolarHBondContact CG-O 3.46Å; L209-V353 PolarHBondContact N-O 3.47Å; L209-D355 HydrophobicContact CD1-CB 4.09Å; L209-V358 HydrophobicContact CD2-CB 4.19Å; L209-V358 HydrophobicContact CD2-CG1 3.87Å; L209-V358 HydrophobicContact CD2-CG2 4.27Å
210N87.9Confident89.5Confident80 Ų8048 Ų4843%0.42825%0.253SS..PPolyproline II helixtrans-77167.4166.568.549.3000111.2V208 E212 Q213 M214V208-N210 PolarHBondContact O-N 2.69Å; N210-E212 PolarHBondContact O-N 3.14Å; N210-E212 VanDerWaalsContact O-N 3.15Å; N210-E212 WeakPolarHBondContact OD1-CB 3.35Å; N210-E212 PolarHBondContact OD1-N 2.69Å; N210-Q213 VanDerWaalsContact CG-OE1 3.3Å; N210-Q213 PolarHBondContact ND2-OE1 3.2Å; N210-Q213 CarbonylContact O-C 3.58Å; N210-Q213 WeakPolarHBondContact O-CA 3.37Å; N210-Q213 WeakPolarHBondContact O-CB 3.22Å; N210-Q213 PolarHBondContact O-N 2.93Å; N210-Q213 PolarHBondContact OD1-N 2.66Å; N210-M214 WeakPolarHBondContact O-CG 3.44Å; N210-M214 PolarHBondContact O-N 2.85Å
211V84.3Confident89.4Confident63 Ų6346.6 Ų46.638%0.38225%0.245SC..Hα-helixtrans-55.2-36.5-177178.30000113.3M214 K215 L221V211-M214 PolarHBondContact O-N 3.09Å; V211-K215 HydrophobicContact CG1-CD 4.44Å; V211-K215 WeakPolarHBondContact O-CG 3.43Å; V211-K215 PolarHBondContact O-N 3.13Å; V211-L221 HydrophobicContact CG1-CD1 4.29Å
212E84.4Confident89.3Confident136 Ų13645.2 Ų45.264%0.63623%0.231SC*.Hα-helixtrans-70.6-39179.1-173.261.8-161.800111.5N210 K216N210-E212 PolarHBondContact O-N 3.14Å; N210-E212 VanDerWaalsContact O-N 3.15Å; N210-E212 WeakPolarHBondContact OD1-CB 3.35Å; N210-E212 PolarHBondContact OD1-N 2.69Å; E212-K216 WeakPolarHBondContact O-CB 3.42Å; E212-K216 PolarHBondContact O-N 2.83Å
213Q86.4Confident89Confident52 Ų5247.6 Ų47.624%0.24325%0.245CC..Hα-helixtrans-65.4-46.2171.8-68.3167.9-45.800110.6L209 N210 K215 K216 E217L209-Q213 HydrophobicContact CB-CB 4.12Å; L209-Q213 HydrophobicContact CD2-CB 4.07Å; N210-Q213 VanDerWaalsContact CG-OE1 3.3Å; N210-Q213 PolarHBondContact ND2-OE1 3.2Å; N210-Q213 CarbonylContact O-C 3.58Å; N210-Q213 WeakPolarHBondContact O-CA 3.37Å; N210-Q213 WeakPolarHBondContact O-CB 3.22Å; N210-Q213 PolarHBondContact O-N 2.93Å; N210-Q213 PolarHBondContact OD1-N 2.66Å; Q213-K215 VanDerWaalsContact C-N 3.31Å; Q213-K215 PolarHBondContact O-N 3.47Å; Q213-K216 PolarHBondContact O-N 2.76Å; Q213-E217 WeakPolarHBondContact O-CB 3.24Å; Q213-E217 VanDerWaalsContact O-CG 3.26Å; Q213-E217 WeakPolarHBondContact O-CG 3.48Å; Q213-E217 PolarHBondContact O-N 2.92Å
214M88.1Confident88.3Confident7 Ų752.2 Ų52.23%0.03427%0.265CS..Hα-helixtrans-54.7-46.2176.3-69.5176.985.400111.8L209 N210 V211 K216 E217 N218 V219 L221 H350L209-M214 HydrophobicContact CB-CG 3.81Å; N210-M214 WeakPolarHBondContact O-CG 3.44Å; N210-M214 PolarHBondContact O-N 2.85Å; V211-M214 PolarHBondContact O-N 3.09Å; M214-K216 PolarHBondContact O-N 3.02Å; M214-E217 PolarHBondContact O-N 2.86Å; M214-N218 PolarHBondContact O-N 2.84Å; M214-V219 HydrophobicContact CB-CB 3.91Å; M214-V219 HydrophobicContact CB-CG1 4.33Å; M214-V219 HydrophobicContact CB-CG2 4.42Å; M214-V219 HydrophobicContact CE-CB 4.36Å; M214-V219 HydrophobicContact CE-CG1 3.47Å; M214-V219 VanDerWaalsContact CE-CG1 3.47Å; M214-V219 HydrophobicContact CG-CB 4.26Å; M214-V219 HydrophobicContact CG-CG1 4.28Å; M214-V219 WeakPolarHBondContact O-CB 3.39Å; M214-V219 PolarHBondContact O-N 2.92Å; M214-L221 HydrophobicContact CB-CD1 4.15Å; M214-L221 HydrophobicContact CB-CD2 4.34Å; M214-L221 HydrophobicContact CB-CG 4.42Å; M214-L221 HydrophobicContact CE-CD2 3.58Å; M214-L221 HydrophobicContact SD-CD2 3.95Å; M214-H350 WeakPolarHBondContact CE-O 3.26Å
215K86.2Confident87.1Confident55 Ų5556.2 Ų56.224%0.23928%0.283CS..Hα-helixtrans-58.7-46.8174.5-74.6174179.5-178.70112.2V211 Q213 E217 N218 L221 F225 L226V211-K215 HydrophobicContact CG1-CD 4.44Å; V211-K215 WeakPolarHBondContact O-CG 3.43Å; V211-K215 PolarHBondContact O-N 3.13Å; Q213-K215 VanDerWaalsContact C-N 3.31Å; Q213-K215 PolarHBondContact O-N 3.47Å; K215-E217 VanDerWaalsContact C-N 3.33Å; K215-E217 PolarHBondContact O-N 3Å; K215-N218 PolarHBondContact O-N 3.19Å; K215-L221 HydrophobicContact CG-CD1 3.65Å; K215-F225 WeakPolarHBondContact CE-O 3.27Å; K215-F225 PolarHBondContact NZ-O 3.29Å; K215-L226 HydrophobicContact CG-CD2 4.48Å
216K86.7Confident85.9Confident104 Ų10454.8 Ų54.845%0.45227%0.274SS..Hα-helixtrans-65.5-37.3-179-176-177.5174.6-166.20112.5E212 Q213 M214 N218 R366E212-K216 WeakPolarHBondContact O-CB 3.42Å; E212-K216 PolarHBondContact O-N 2.83Å; Q213-K216 PolarHBondContact O-N 2.76Å; M214-K216 PolarHBondContact O-N 3.02Å; K216-N218 PolarHBondContact O-N 3.32Å; K216-R366 VanDerWaalsContact NZ-CB 3.33Å
217E88.8Confident84.4Confident18 Ų1854.4 Ų54.48%0.08428%0.275CS..THydrogen-bonded Turntrans-8710.2-179-57-52.814400112.8Q213 M214 K215 V219 V358 K369Q213-E217 WeakPolarHBondContact O-CB 3.24Å; Q213-E217 VanDerWaalsContact O-CG 3.26Å; Q213-E217 WeakPolarHBondContact O-CG 3.48Å; Q213-E217 PolarHBondContact O-N 2.92Å; M214-E217 PolarHBondContact O-N 2.86Å; K215-E217 VanDerWaalsContact C-N 3.33Å; K215-E217 PolarHBondContact O-N 3Å; E217-V219 HydrophobicContact CB-CG2 4.17Å; E217-V219 PolarHBondContact O-N 2.87Å; E217-V358 HydrophobicContact CG-CG2 3.68Å; E217-K369 WeakPolarHBondContact OE2-CE 3.25Å; E217-K369 IonicContact OE2-NZ 3.53Å; E217-K369 PolarHBondContact OE2-NZ 3.02Å
218N89.9Confident82.7Confident100 Ų10061.5 Ų61.554%0.53531%0.313SS..THydrogen-bonded Turntrans54.826.3-177.5-60.6-47.4000114.1M214 K215 K216M214-N218 PolarHBondContact O-N 2.84Å; K215-N218 PolarHBondContact O-N 3.19Å; K216-N218 PolarHBondContact O-N 3.32Å
219V92.9Very high80.8Confident3 Ų364.5 Ų64.52%0.01833%0.325CS..  trans-62.8133.5174.2176.10000108.9L209 M214 E217 L221 I339 L343L209-V219 HydrophobicContact CD1-CG2 4.14Å; M214-V219 HydrophobicContact CB-CB 3.91Å; M214-V219 HydrophobicContact CB-CG1 4.33Å; M214-V219 HydrophobicContact CB-CG2 4.42Å; M214-V219 HydrophobicContact CE-CB 4.36Å; M214-V219 HydrophobicContact CE-CG1 3.47Å; M214-V219 VanDerWaalsContact CE-CG1 3.47Å; M214-V219 HydrophobicContact CG-CB 4.26Å; M214-V219 HydrophobicContact CG-CG1 4.28Å; M214-V219 WeakPolarHBondContact O-CB 3.39Å; M214-V219 PolarHBondContact O-N 2.92Å; E217-V219 HydrophobicContact CB-CG2 4.17Å; E217-V219 PolarHBondContact O-N 2.87Å; V219-L221 PolarHBondContact O-N 3.16Å; V219-I339 HydrophobicContact CG2-CG2 4.49Å; V219-L343 HydrophobicContact CG1-CD1 3.88Å
220P92.9Very high78.9Confident1 Ų173 Ų731%0.00636%0.357CS..  trans-56.3126.8177-27.936.2000112.9F239 L343 E344 F349P220-F239 HydrophobicContact CB-CD1 3.88Å; P220-F239 HydrophobicContact CB-CE1 3.59Å; P220-F239 HydrophobicContact CG-CD1 4.44Å; P220-F239 HydrophobicContact CG-CE1 3.71Å; P220-L343 HydrophobicContact CG-CB 3.75Å; P220-E344 HydrophobicContact CG-CB 4.36Å; P220-F349 HydrophobicContact CB-CD1 3.78Å; P220-F349 HydrophobicContact CB-CE1 3.89Å
221L90Very high77.2Confident11 Ų1178.9 Ų78.96%0.05838%0.378CS..  trans-129.1143.3175.7-71.1173.6000109.7V211 M214 K215 V219 F225 L226 F349V211-L221 HydrophobicContact CG1-CD1 4.29Å; M214-L221 HydrophobicContact CB-CD1 4.15Å; M214-L221 HydrophobicContact CB-CD2 4.34Å; M214-L221 HydrophobicContact CB-CG 4.42Å; M214-L221 HydrophobicContact CE-CD2 3.58Å; M214-L221 HydrophobicContact SD-CD2 3.95Å; K215-L221 HydrophobicContact CG-CD1 3.65Å; V219-L221 PolarHBondContact O-N 3.16Å; L221-F225 HydrophobicContact CB-CB 4.34Å; L221-F225 HydrophobicContact CD1-CB 4.45Å; L221-L226 HydrophobicContact CB-CD2 4.43Å; L221-L226 HydrophobicContact CD1-CD2 4.5Å; L221-F349 WeakPolarHBondContact O-CE1 3.43Å
222P86Confident75.7Confident39 Ų3983.8 Ų83.825%0.25340%0.397SS..  trans-56148.6170.8-2533.2000112E224 F225 F349P222-E224 PolarHBondContact O-N 3.07Å; P222-F225 HydrophobicContact CB-CD2 4.07Å; P222-F225 HydrophobicContact CB-CE2 4.39Å; P222-F225 HydrophobicContact CG-CD2 4.16Å; P222-F225 HydrophobicContact CG-CE2 4.21Å; P222-F225 PolarHBondContact O-N 3.42Å; P222-F349 HydrophobicContact CG-CD1 4.31Å; P222-F349 HydrophobicContact CG-CD2 4.07Å; P222-F349 HydrophobicContact CG-CE2 4.3Å; P222-F349 HydrophobicContact CG-CG 4.06Å
223N79Confident74.3Confident81 Ų8179.5 Ų79.543%0.43338%0.376SS..G310 helixtrans-54-29.2-176.8-73-20.9000113.5F225 L226 N235N223-F225 PolarHBondContact O-N 3.14Å; N223-L226 PolarHBondContact O-N 2.94Å; N223-N235 PolarHBondContact ND2-OD1 2.8Å
224E75.5Confident73.2Confident162 Ų16284.4 Ų84.476%0.75740%0.396SS*.G310 helixtrans-57.9-28.8176.8-60.7174.5-149.300113.2P222 V227P222-E224 PolarHBondContact O-N 3.07Å; E224-V227 VanDerWaalsContact O-CG2 3.23Å; E224-V227 WeakPolarHBondContact O-CG2 3.43Å
225F68.4Low72.2Confident101 Ų10189.4 Ų89.444%0.44342%0.423SS..G310 helixtrans-89.4-6.9178.6-64.4-82000113.6K215 L221 P222 N223K215-F225 WeakPolarHBondContact CE-O 3.27Å; K215-F225 PolarHBondContact NZ-O 3.29Å; L221-F225 HydrophobicContact CB-CB 4.34Å; L221-F225 HydrophobicContact CD1-CB 4.45Å; P222-F225 HydrophobicContact CB-CD2 4.07Å; P222-F225 HydrophobicContact CB-CE2 4.39Å; P222-F225 HydrophobicContact CG-CD2 4.16Å; P222-F225 HydrophobicContact CG-CE2 4.21Å; P222-F225 PolarHBondContact O-N 3.42Å; N223-F225 PolarHBondContact O-N 3.14Å
226L66.2Low71.9Confident7 Ų787.7 Ų87.74%0.03742%0.415CS..  trans-106.422.8-173-59.1177.4000113.3K215 L221 N223 D228 Q229 R230 F233K215-L226 HydrophobicContact CG-CD2 4.48Å; L221-L226 HydrophobicContact CB-CD2 4.43Å; L221-L226 HydrophobicContact CD1-CD2 4.5Å; N223-L226 PolarHBondContact O-N 2.94Å; L226-D228 PolarHBondContact O-N 2.81Å; L226-Q229 PolarHBondContact O-N 3.2Å; L226-R230 PolarHBondContact O-N 2.82Å; L226-F233 HydrophobicContact CD1-CB 3.98Å; L226-F233 HydrophobicContact CD1-CD1 4.18Å; L226-F233 HydrophobicContact CD1-CD2 4.09Å; L226-F233 HydrophobicContact CD1-CG 3.81Å; L226-F233 HydrophobicContact CD2-CD2 4.21Å; L226-F233 HydrophobicContact CD2-CE2 4.07Å; L226-F233 HydrophobicContact CD2-CZ 4.35Å
227V59.1Low71.6Confident81 Ų8187.5 Ų87.549%0.49143%0.427SS..THydrogen-bonded Turntrans-46.3-41.2-172.3-175.30000113.8E224 R230E224-V227 VanDerWaalsContact O-CG2 3.23Å; E224-V227 WeakPolarHBondContact O-CG2 3.43Å; V227-R230 PolarHBondContact O-NE 3.17Å
228D58Low71.6Confident157 Ų15790.1 Ų90.184%0.8444%0.442SS*.THydrogen-bonded Turntrans-87.7-9-176.2-69.4-25000114.8L226L226-D228 PolarHBondContact O-N 2.81Å
229Q53.9Low71.8Confident90 Ų9086.2 Ų86.242%0.42142%0.42SS..THydrogen-bonded Turntrans-128.116.2-171.2-61.2-171.326.100114.3L226 K231 H232 F233L226-Q229 PolarHBondContact O-N 3.2Å; Q229-K231 PolarHBondContact O-N 2.59Å; Q229-H232 PolarHBondContact O-N 3Å; Q229-F233 HydrophobicContact CB-CD2 3.99Å; Q229-F233 HydrophobicContact CB-CE2 3.91Å
230R52Low71.9Confident185 Ų18588.6 Ų88.670%0.69844%0.435SS*.THydrogen-bonded Turntrans-50.9-25-176.6-64.5-175.2-125178.6-4.1115.6L226 V227 H232L226-R230 PolarHBondContact O-N 2.82Å; V227-R230 PolarHBondContact O-NE 3.17Å; R230-H232 VanDerWaalsContact C-N 3.34Å
231K52.5Low72.1Confident204 Ų20491.9 Ų91.989%0.88746%0.456SS*.THydrogen-bonded Turntrans-75.2-18.9178.3-66.4-173.7179.4-179.10114.2Q229Q229-K231 PolarHBondContact O-N 2.59Å
232H51.8Low72.3Confident166 Ų16691.5 Ų91.577%0.76945%0.454SS*.THydrogen-bonded Turntrans-107.2-17.5-172.6-67.786.7000114Q229 R230Q229-H232 PolarHBondContact O-N 3Å; R230-H232 VanDerWaalsContact C-N 3.34Å
233F55.6Low72.5Confident46 Ų4691.5 Ų91.520%0.20245%0.45CS..SBendtrans-98135.3179.8-75.1-84.9000111L226 Q229L226-F233 HydrophobicContact CD1-CB 3.98Å; L226-F233 HydrophobicContact CD1-CD1 4.18Å; L226-F233 HydrophobicContact CD1-CD2 4.09Å; L226-F233 HydrophobicContact CD1-CG 3.81Å; L226-F233 HydrophobicContact CD2-CD2 4.21Å; L226-F233 HydrophobicContact CD2-CE2 4.07Å; L226-F233 HydrophobicContact CD2-CZ 4.35Å; Q229-F233 HydrophobicContact CB-CD2 3.99Å; Q229-F233 HydrophobicContact CB-CE2 3.91Å
234K63.6Low73Confident154 Ų15493.3 Ų93.367%0.6747%0.466SS*.PPolyproline II helixtrans-60.3144.3171-67.5-179.7179.7178.50109.1R236K234-R236 PolarHBondContact O-N 2.81Å; K234-R236 VanDerWaalsContact O-N 3.17Å
235N66.5Low73.7Confident112 Ų11290.5 Ų90.560%0.59946%0.46SS*.PPolyproline II helixtrans-64.5116.7172.6-168.211.2000108.7N223 S237N223-N235 PolarHBondContact ND2-OD1 2.8Å; N235-S237 VanDerWaalsContact C-N 3.35Å; N235-S237 PolarHBondContact O-N 3.12Å
236R81.1Confident74.8Confident19 Ų1988.6 Ų88.67%0.07245%0.45CS..  trans-97.445.3-176.1-71.5-174.7173.5144.6-12.5111.8K234 D238 F239 E344 F349K234-R236 PolarHBondContact O-N 2.81Å; K234-R236 VanDerWaalsContact O-N 3.17Å; R236-D238 PolarHBondContact O-N 3.3Å; R236-F239 HydrophobicContact CB-CB 4.22Å; R236-F239 HydrophobicContact CB-CD2 3.45Å; R236-F239 VanDerWaalsContact CB-CD2 3.45Å; R236-F239 HydrophobicContact CB-CE2 3.92Å; R236-F239 HydrophobicContact CB-CG 3.83Å; R236-F239 HydrophobicContact CG-CD2 3.73Å; R236-F239 HydrophobicContact CG-CE2 3.63Å; R236-F239 HydrophobicContact CG-CG 4.23Å; R236-F239 HydrophobicContact CG-CZ 4.07Å; R236-F239 WeakPolarHBondContact O-CB 3.25Å; R236-F239 PolarHBondContact O-N 3.12Å; R236-E344 IonicContact CZ-OE2 3.31Å; R236-E344 IonicContact NE-OE2 2.7Å; R236-E344 PolarHBondContact NE-OE2 3.34Å; R236-E344 IonicContact NH2-OE2 2.63Å; R236-E344 PolarHBondContact NH2-OE2 2.87Å; R236-F349 HydrophobicContact CB-CZ 3.97Å
237S80.7Confident76Confident100 Ų10092.8 Ų92.870%0.69947%0.472SS*.THydrogen-bonded Turntrans-68.3-19.4-17850.50000113.6N235 F239N235-S237 VanDerWaalsContact C-N 3.35Å; N235-S237 PolarHBondContact O-N 3.12Å; S237-F239 VanDerWaalsContact C-N 3.35Å
238D88.2Confident77.6Confident73 Ų7394.3 Ų94.339%0.3948%0.483SS..THydrogen-bonded Turntrans-91.46.317757.5-23.5000113.3R236 K347R236-D238 PolarHBondContact O-N 3.3Å; D238-K347 HydrophobicContact CB-CD 4.25Å; D238-K347 VanDerWaalsContact OD2-CD 3.25Å; D238-K347 WeakPolarHBondContact OD2-CD 3.43Å; D238-K347 VanDerWaalsContact OD2-CE 3.27Å; D238-K347 WeakPolarHBondContact OD2-CE 2.85Å; D238-K347 IonicContact OD2-NZ 2.85Å; D238-K347 PolarHBondContact OD2-NZ 3.05Å
239F94.3Very high79.1Confident19 Ų1988.7 Ų88.78%0.08346%0.455CS..  trans-91.8139.7175.5-77.3-121.5000111.2P220 R236 S237 E344 K347 F349P220-F239 HydrophobicContact CB-CD1 3.88Å; P220-F239 HydrophobicContact CB-CE1 3.59Å; P220-F239 HydrophobicContact CG-CD1 4.44Å; P220-F239 HydrophobicContact CG-CE1 3.71Å; R236-F239 HydrophobicContact CB-CB 4.22Å; R236-F239 HydrophobicContact CB-CD2 3.45Å; R236-F239 VanDerWaalsContact CB-CD2 3.45Å; R236-F239 HydrophobicContact CB-CE2 3.92Å; R236-F239 HydrophobicContact CB-CG 3.83Å; R236-F239 HydrophobicContact CG-CD2 3.73Å; R236-F239 HydrophobicContact CG-CE2 3.63Å; R236-F239 HydrophobicContact CG-CG 4.23Å; R236-F239 HydrophobicContact CG-CZ 4.07Å; R236-F239 WeakPolarHBondContact O-CB 3.25Å; R236-F239 PolarHBondContact O-N 3.12Å; S237-F239 VanDerWaalsContact C-N 3.35Å; F239-E344 HydrophobicContact CZ-CG 4.32Å; F239-E344 WeakPolarHBondContact CZ-OE2 3.38Å; F239-K347 WeakPolarHBondContact CA-O 3.33Å; F239-K347 VanDerWaalsContact CD1-C 3.42Å; F239-K347 HydrophobicContact CD1-CB 4.3Å; F239-K347 HydrophobicContact CD2-CB 4Å; F239-K347 HydrophobicContact CD2-CG 4.4Å; F239-K347 HydrophobicContact CE1-CB 4.37Å; F239-K347 HydrophobicContact CE2-CB 4.08Å; F239-K347 HydrophobicContact CE2-CG 4.06Å; F239-K347 HydrophobicContact CG-CB 4.1Å; F239-K347 HydrophobicContact CZ-CB 4.25Å; F239-K347 HydrophobicContact CZ-CG 4.27Å; F239-F349 HydrophobicContact CB-CD2 3.91Å; F239-F349 HydrophobicContact CB-CE1 3.95Å; F239-F349 HydrophobicContact CB-CE2 3.28Å; F239-F349 HydrophobicContact CB-CG 4.49Å; F239-F349 HydrophobicContact CB-CZ 3.31Å; F239-F349 HydrophobicContact CD1-CD1 4.18Å; F239-F349 AromaticContact CD1-CE1 3.77Å; F239-F349 HydrophobicContact CD1-CE1 3.77Å; F239-F349 HydrophobicContact CD1-CZ 4.01Å; F239-F349 HydrophobicContact CG-CE1 4.09Å; F239-F349 HydrophobicContact CG-CE2 4.28Å; F239-F349 AromaticContact CG-CZ 3.84Å; F239-F349 HydrophobicContact CG-CZ 3.84Å
240V95Very high81Confident53 Ų5386.8 Ų86.832%0.32145%0.452SS..EExtended strand (participates in β ladder)trans-118.4145.9177.2-58.90000111.3Q321 K347 V348 F349V240-Q321 HydrophobicContact CG2-CB 3.87Å; V240-Q321 VanDerWaalsContact CG2-CD 3.43Å; V240-Q321 HydrophobicContact CG2-CG 3.73Å; V240-K347 PolarHBondContact N-O 3.46Å; V240-V348 HydrophobicContact CG2-CG1 4.16Å; V240-V348 CarbonylContact O-C 3.05Å; V240-V348 WeakPolarHBondContact O-CA 3.26Å; V240-F349 PolarHBondContact O-N 3.48Å
241P95.8Very high82.9Confident70 Ų7079.8 Ų79.846%0.45543%0.433SS..EExtended strand (participates in β ladder)trans-68.9139.6171.731.8-35.1000109.9K243 Y246 F349P241-K243 WeakPolarHBondContact CB-O 3.48Å; P241-K243 PolarHBondContact O-N 3.23Å; P241-Y246 HydrophobicContact CB-CE2 4.37Å; P241-F349 WeakPolarHBondContact CA-O 3.28Å
242T95.9Very high84.8Confident2 Ų276.9 Ų76.91%0.01243%0.427CS..SBendtrans-60.8-24.3175.855.90000113.3Y246 A325 L328 V348 F349 H350T242-Y246 PolarHBondContact N-OH 3.14Å; T242-Y246 PolarHBondContact OG1-OH 2.61Å; T242-A325 WeakPolarHBondContact O-CA 3.27Å; T242-A325 WeakPolarHBondContact O-CB 3.43Å; T242-L328 HydrophobicContact CG2-CD1 4.5Å; T242-V348 HydrophobicContact CG2-CB 3.76Å; T242-V348 HydrophobicContact CG2-CG1 4.26Å; T242-V348 HydrophobicContact CG2-CG2 3.86Å; T242-F349 PolarHBondContact N-O 2.87Å; T242-F349 PolarHBondContact OG1-O 2.91Å; T242-H350 HydrophobicContact CG2-CB 3.96Å; T242-H350 PolarHBondContact OG1-ND1 2.69Å
243K90.3Very high86.9Confident40 Ų4069 Ų6917%0.17439%0.391CS..  trans-137147.4170.4-64.1-65.5-72.4-165.70110.6P241 V245 Y246 A325 L328P241-K243 WeakPolarHBondContact CB-O 3.48Å; P241-K243 PolarHBondContact O-N 3.23Å; K243-V245 VanDerWaalsContact C-N 3.28Å; K243-V245 WeakPolarHBondContact CB-O 3.47Å; K243-V245 PolarHBondContact O-N 3.25Å; K243-Y246 HydrophobicContact CB-CD1 4.15Å; K243-Y246 HydrophobicContact CB-CE1 3.81Å; K243-Y246 HydrophobicContact CB-CE2 4.46Å; K243-Y246 HydrophobicContact CG-CE1 4.16Å; K243-Y246 PolarHBondContact N-OH 2.97Å; K243-Y246 VanDerWaalsContact N-OH 3.16Å; K243-Y246 WeakPolarHBondContact O-CE2 3.38Å; K243-A325 WeakPolarHBondContact CD-O 3.32Å; K243-A325 PolarHBondContact NZ-O 2.81Å; K243-L328 HydrophobicContact CD-CB 4.42Å; K243-L328 VanDerWaalsContact CD-O 3.27Å; K243-L328 WeakPolarHBondContact CD-O 3.45Å; K243-L328 VanDerWaalsContact CE-O 3.23Å; K243-L328 WeakPolarHBondContact CE-O 3.43Å; K243-L328 PolarHBondContact NZ-O 2.98Å
244P88.7Confident88.8Confident119 Ų11968.6 Ų68.677%0.77339%0.393SS*.SBendtrans-68-30.3171.727.8-34.2000112.3
245V89.2Confident90.5Very high102 Ų10261.3 Ų61.362%0.61836%0.361SS*.SBendtrans-137.3130.7179-177.70000108.9K243K243-V245 VanDerWaalsContact C-N 3.28Å; K243-V245 WeakPolarHBondContact CB-O 3.47Å; K243-V245 PolarHBondContact O-N 3.25Å
246Y93.2Very high92Very high61 Ų6157.4 Ų57.424%0.23934%0.338CS..PPolyproline II helixtrans-103.6144.9175.7-64.4-83000110.6P241 T242 K243 G330 F349 H350 P351 Y352P241-Y246 HydrophobicContact CB-CE2 4.37Å; T242-Y246 PolarHBondContact N-OH 3.14Å; T242-Y246 PolarHBondContact OG1-OH 2.61Å; K243-Y246 HydrophobicContact CB-CD1 4.15Å; K243-Y246 HydrophobicContact CB-CE1 3.81Å; K243-Y246 HydrophobicContact CB-CE2 4.46Å; K243-Y246 HydrophobicContact CG-CE1 4.16Å; K243-Y246 PolarHBondContact N-OH 2.97Å; K243-Y246 VanDerWaalsContact N-OH 3.16Å; K243-Y246 WeakPolarHBondContact O-CE2 3.38Å; Y246-G330 CarbonylContact C-O 3.59Å; Y246-G330 WeakPolarHBondContact CA-O 3.41Å; Y246-F349 PolarHBondContact OH-O 3.41Å; Y246-H350 AromaticContact CE1-ND1 3.88Å; Y246-P351 HydrophobicContact CD1-CG 3.59Å; Y246-P351 HydrophobicContact CD2-CG 4.1Å; Y246-P351 HydrophobicContact CE1-CG 3.74Å; Y246-P351 HydrophobicContact CE2-CG 4.23Å; Y246-P351 HydrophobicContact CG-CG 3.78Å; Y246-P351 VanDerWaalsContact CZ-CD 3.44Å; Y246-Y352 HydrophobicContact CD1-CE2 4.17Å; Y246-Y352 HydrophobicContact CG-CE2 4.48Å
247L91.6Very high92.8Very high95 Ų9556.5 Ų56.550%0.49734%0.335SS..PPolyproline II helixtrans-102.7148.9174.6-63.4176.3000109.3V249 G330 D331 Y352L247-V249 PolarHBondContact O-N 2.85Å; L247-G330 PolarHBondContact N-O 3.43Å; L247-D331 HydrophobicContact CB-CB 4Å; L247-Y352 VanDerWaalsContact O-CE2 3.3Å; L247-Y352 WeakPolarHBondContact O-CE2 3.47Å; L247-Y352 PolarHBondContact O-OH 2.83Å; L247-Y352 VanDerWaalsContact O-OH 3.04Å
248P92.7Very high93.7Very high113 Ų11351.8 Ų51.873%0.73430%0.302SS*.PPolyproline II helixtrans-57.4130.6175.4-22.633.1000111.7
249V89.5Confident94.1Very high39 Ų3949.1 Ų49.124%0.23629%0.287CS..PPolyproline II helixtrans-70.3150.7174.2-69.10000111.8T205 L247 S253 D331 I333 Y352T205-V249 HydrophobicContact CG2-CB 4.04Å; T205-V249 HydrophobicContact CG2-CG2 3.79Å; L247-V249 PolarHBondContact O-N 2.85Å; V249-S253 WeakPolarHBondContact CA-OG 3.33Å; V249-D331 HydrophobicContact CG1-CB 4.5Å; V249-I333 HydrophobicContact CG1-CD1 4.36Å; V249-I333 HydrophobicContact CG1-CG1 3.91Å; V249-Y352 HydrophobicContact CG1-CD1 3.64Å; V249-Y352 HydrophobicContact CG1-CD2 3.39Å; V249-Y352 HydrophobicContact CG1-CE1 3.96Å; V249-Y352 HydrophobicContact CG1-CE2 3.72Å; V249-Y352 HydrophobicContact CG1-CG 3.35Å; V249-Y352 HydrophobicContact CG2-CD1 4.08Å; V249-Y352 HydrophobicContact CG2-CE1 4.17Å
250S92.7Very high94.3Very high51 Ų5148.5 Ų48.536%0.35729%0.285SS..  trans-135.4174.717773.50000110.9T205 N252 S253T205-S250 WeakPolarHBondContact CG2-O 3.24Å; S250-N252 PolarHBondContact O-N 3.49Å; S250-N252 PolarHBondContact OG-N 3.07Å; S250-S253 PolarHBondContact N-OG 3.31Å; S250-S253 WeakPolarHBondContact O-CB 3.43Å; S250-S253 PolarHBondContact O-N 3.36Å; S250-S253 PolarHBondContact O-OG 2.84Å; S250-S253 PolarHBondContact OG-OG 3.22Å
251A92Very high94.5Very high37 Ų3746.6 Ų46.631%0.30627%0.273SS..THydrogen-bonded Turntrans-57.9-16.7172.500000114D203 R204D203-A251 HydrophobicContact CB-CB 4.4Å; R204-A251 PolarHBondContact NE-O 2.68Å
252N93.3Very high94.6Very high144 Ų14444.9 Ų44.977%0.7726%0.259SS*.THydrogen-bonded Turntrans-106.83.8-180-59.9-46.6000113.4S250S250-N252 PolarHBondContact O-N 3.49Å; S250-N252 PolarHBondContact OG-N 3.07Å
253S94.9Very high94.7Very high0 Ų044.8 Ų44.80%026%0.259CS..PPolyproline II helixtrans-65.4136.2-177.6-73.80000111.2R204 V249 S250 D331R204-S253 WeakPolarHBondContact CD-O 3.37Å; R204-S253 PolarHBondContact NH1-O 3.3Å; V249-S253 WeakPolarHBondContact CA-OG 3.33Å; S250-S253 PolarHBondContact N-OG 3.31Å; S250-S253 WeakPolarHBondContact O-CB 3.43Å; S250-S253 PolarHBondContact O-N 3.36Å; S250-S253 PolarHBondContact O-OG 2.84Å; S250-S253 PolarHBondContact OG-OG 3.22Å; S253-D331 VanDerWaalsContact CB-O 3.31Å; S253-D331 WeakPolarHBondContact CB-O 3.36Å; S253-D331 WeakPolarHBondContact CB-OD2 3.39Å; S253-D331 PolarHBondContact OG-OD2 3.2Å
254P96.4Very high95Very high38 Ų3846.3 Ų46.325%0.24727%0.269CS..PPolyproline II helixtrans-71.9138.6-173.128-33.2000111.4Y256 P329 I333P254-Y256 HydrophobicContact CB-CE2 3.84Å; P254-Y256 HydrophobicContact CG-CE2 3.98Å; P254-P329 HydrophobicContact CG-CG 3.47Å; P254-P329 VanDerWaalsContact CG-CG 3.47Å; P254-I333 PolarHBondContact O-N 3.04Å
255M97.9Very high95.4Very high1 Ų140.9 Ų40.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-101.6140.1177.9-63.3-173.5-66.100111.6E279 I333 V335 I354 M401 V404 L408M255-E279 VanDerWaalsContact CE-CD 3.48Å; M255-E279 HydrophobicContact CE-CG 3.92Å; M255-E279 WeakPolarHBondContact CE-OE1 3.32Å; M255-E279 PolarHBondContact O-N 2.99Å; M255-I333 CarbonylContact C-O 3.32Å; M255-I333 WeakPolarHBondContact CA-O 3.4Å; M255-I333 HydrophobicContact CG-CB 4.13Å; M255-I333 HydrophobicContact CG-CG2 4.4Å; M255-V335 HydrophobicContact CB-CG2 3.98Å; M255-V335 HydrophobicContact CG-CG2 4.38Å; M255-V335 HydrophobicContact SD-CG2 4.32Å; M255-I354 HydrophobicContact SD-CD1 4.08Å; M255-M401 HydrophobicContact CB-CE 3.87Å; M255-M401 HydrophobicContact CB-SD 4.25Å; M255-M401 HydrophobicContact CE-SD 4.39Å; M255-V404 HydrophobicContact CE-CG1 4.16Å; M255-V404 HydrophobicContact SD-CG1 3.76Å; M255-L408 HydrophobicContact CE-CD1 3.58Å; M255-L408 HydrophobicContact SD-CD1 4.03Å
256Y98.4Very high95.7Very high30 Ų3039.4 Ų39.412%0.11823%0.227CC..EExtended strand (participates in β ladder)trans-130.6121.7176.3-59.7-92.9000109.8P254 M276 I277 L328 P329 A332 I333 L334 V335P254-Y256 HydrophobicContact CB-CE2 3.84Å; P254-Y256 HydrophobicContact CG-CE2 3.98Å; Y256-M276 HydrophobicContact CD1-CE 4.31Å; Y256-M276 HydrophobicContact CD1-SD 4.42Å; Y256-I277 CarbonylContact C-O 3.59Å; Y256-I277 VanDerWaalsContact CA-O 3.22Å; Y256-I277 WeakPolarHBondContact CA-O 3.19Å; Y256-L328 HydrophobicContact CD1-CD2 4.17Å; Y256-L328 HydrophobicContact CD2-CD2 3.58Å; Y256-L328 HydrophobicContact CE2-CD2 3.97Å; Y256-L328 HydrophobicContact CG-CD2 3.69Å; Y256-P329 HydrophobicContact CE2-CG 4.03Å; Y256-P329 WeakPolarHBondContact OH-CD 3.19Å; Y256-A332 HydrophobicContact CD2-CB 3.9Å; Y256-A332 HydrophobicContact CE2-CB 3.84Å; Y256-I333 PolarHBondContact N-O 3.48Å; Y256-L334 CarbonylContact O-C 3.54Å; Y256-L334 WeakPolarHBondContact O-CA 3.44Å; Y256-V335 PolarHBondContact O-N 3.07Å
257A98.6Very high95.7Very high0 Ų040.6 Ų40.60%024%0.241CC..EExtended strand (participates in β ladder)trans-89.2136.9175.300000110.5M276 I277 V335 A397 M401A257-M276 CarbonylContact O-C 3.52Å; A257-M276 VanDerWaalsContact O-CA 3.32Å; A257-M276 WeakPolarHBondContact O-CA 3.42Å; A257-I277 HydrophobicContact CB-CD1 4.1Å; A257-I277 HydrophobicContact CB-CG1 3.77Å; A257-I277 PolarHBondContact N-O 3.4Å; A257-I277 PolarHBondContact O-N 2.9Å; A257-V335 CarbonylContact C-O 3.56Å; A257-V335 VanDerWaalsContact CA-O 3.23Å; A257-V335 WeakPolarHBondContact CA-O 3.43Å; A257-V335 HydrophobicContact CB-CB 4.11Å; A257-A397 HydrophobicContact CB-CB 4.38Å; A257-A397 WeakPolarHBondContact CB-O 3.48Å; A257-M401 HydrophobicContact CB-CB 3.87Å; A257-M401 HydrophobicContact CB-CE 3.83Å; A257-M401 VanDerWaalsContact N-CE 3.33Å
258V98.4Very high95.8Very high1 Ų137.4 Ų37.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-123.8142.5178.3-65.80000110.2T275 M276 L334 V335 I339 M346V258-T275 WeakPolarHBondContact CA-O 3.39Å; V258-M276 HydrophobicContact CG1-CB 4.08Å; V258-M276 HydrophobicContact CG1-CG 3.79Å; V258-M276 HydrophobicContact CG1-SD 4.23Å; V258-L334 HydrophobicContact CG1-CD2 4.23Å; V258-V335 PolarHBondContact N-O 3.02Å; V258-I339 HydrophobicContact CG2-CD1 3.88Å; V258-I339 HydrophobicContact CG2-CG1 4.05Å; V258-M346 HydrophobicContact CB-CE 4.49Å; V258-M346 HydrophobicContact CG2-CE 4.31Å
259D98.3Very high95.9Very high16 Ų1635.6 Ų35.69%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-145.8140.1171.6-172.489.6000109.7T275 S393 D396 A397D259-T275 PolarHBondContact N-O 2.83Å; D259-T275 VanDerWaalsContact N-O 3.09Å; D259-T275 PolarHBondContact O-N 3.01Å; D259-S393 WeakPolarHBondContact CB-O 3.12Å; D259-S393 WeakPolarHBondContact OD2-CA 3.1Å; D259-S393 VanDerWaalsContact OD2-CB 3.31Å; D259-S393 WeakPolarHBondContact OD2-CB 3.41Å; D259-D396 HydrophobicContact CB-CB 4.45Å; D259-A397 HydrophobicContact CB-CB 4.01Å
260C98.3Very high96.3Very high6 Ų634.4 Ų34.44%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-120.7140.1-177.6-640000112.1M262 L271 R273 D342C260-M262 HydrophobicContact CB-CE 4.2Å; C260-M262 HydrophobicContact CB-SD 4.18Å; C260-M262 VanDerWaalsContact O-SD 3.35Å; C260-L271 HydrophobicContact CB-CD1 3.61Å; C260-R273 CarbonylContact C-O 3.6Å; C260-R273 VanDerWaalsContact CA-O 3.27Å; C260-R273 WeakPolarHBondContact CA-O 3.32Å; C260-D342 HydrophobicContact CB-CB 4.36Å; C260-D342 PolarHBondContact N-OD1 3.24Å
261E97.7Very high96.6Very high13 Ų1332.3 Ų32.36%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-101135.8161.7-54.9-65.7178.200109.8A272 R273 S303 I305 H391 S393E261-A272 PolarHBondContact O-N 3.47Å; E261-R273 HydrophobicContact CB-CB 3.93Å; E261-R273 HydrophobicContact CG-CB 4.22Å; E261-R273 PolarHBondContact N-O 3.18Å; E261-R273 PolarHBondContact O-N 3.13Å; E261-S303 WeakPolarHBondContact CG-O 3.5Å; E261-S303 VanDerWaalsContact OE2-CA 3.31Å; E261-S303 WeakPolarHBondContact OE2-CA 3.29Å; E261-I305 HydrophobicContact CB-CD1 4.49Å; E261-I305 HydrophobicContact CB-CG1 4.27Å; E261-H391 WeakPolarHBondContact OE1-CB 3.47Å; E261-S393 PolarHBondContact OE1-N 2.94Å
262M97.8Very high96.8Very high34 Ų3430.6 Ų30.617%0.16718%0.183CC..EExtended strand (participates in β ladder)trans-119.9157.7-177.2-54.183.8146.400112.3C260 S269 E270 S303 N341 A345C260-M262 HydrophobicContact CB-CE 4.2Å; C260-M262 HydrophobicContact CB-SD 4.18Å; C260-M262 VanDerWaalsContact O-SD 3.35Å; M262-S269 WeakPolarHBondContact CB-OG 3.47Å; M262-E270 CarbonylContact C-O 3.54Å; M262-E270 WeakPolarHBondContact CA-O 3.34Å; M262-E270 VanDerWaalsContact CB-O 3.28Å; M262-E270 WeakPolarHBondContact CB-O 3.41Å; M262-S303 WeakPolarHBondContact O-CB 3.28Å; M262-N341 HydrophobicContact CE-CB 4Å; M262-A345 HydrophobicContact CE-CB 3.99Å; M262-A345 HydrophobicContact CG-CB 4Å
263V98Very high97.1Very high0 Ų026.2 Ų26.20%016%0.155CC..EExtended strand (participates in β ladder)trans-121.5159.5171.6-62.30000110.1T265 S269 E270 A272 P291 V295 Y298 I305V263-T265 HydrophobicContact CG2-CG2 4.31Å; V263-S269 WeakPolarHBondContact O-CA 3.28Å; V263-E270 PolarHBondContact N-O 2.93Å; V263-E270 PolarHBondContact O-N 2.7Å; V263-A272 HydrophobicContact CB-CB 4.41Å; V263-A272 HydrophobicContact CG1-CB 3.6Å; V263-A272 HydrophobicContact CG2-CB 4.11Å; V263-P291 HydrophobicContact CG2-CB 4.28Å; V263-P291 HydrophobicContact CG2-CG 3.55Å; V263-V295 HydrophobicContact CB-CG1 3.88Å; V263-V295 HydrophobicContact CB-CG2 4.43Å; V263-V295 HydrophobicContact CG1-CG1 4.42Å; V263-V295 HydrophobicContact CG2-CG1 4.09Å; V263-V295 HydrophobicContact CG2-CG2 3.76Å; V263-Y298 HydrophobicContact CG1-CD1 4.27Å; V263-I305 HydrophobicContact CG1-CB 4.3Å; V263-I305 HydrophobicContact CG1-CG2 4.21Å
264L98Very high97.2Very high73 Ų7326.2 Ų26.238%0.38216%0.155SC..EExtended strand (participates in β ladder)trans-94.2127.8178.7-175.666.9000110.7K296 D297 L299L264-K296 WeakPolarHBondContact O-CB 3.38Å; L264-K296 PolarHBondContact O-N 2.66Å; L264-D297 HydrophobicContact CB-CB 4.14Å; L264-D297 HydrophobicContact CD2-CB 4.33Å; L264-D297 PolarHBondContact N-O 2.93Å; L264-D297 PolarHBondContact O-N 2.85Å; L264-D297 VanDerWaalsContact O-N 3.16Å; L264-L299 HydrophobicContact CB-CD1 4.36Å; L264-L299 HydrophobicContact CB-CG 4.47Å
265T97.2Very high97.3Very high5 Ų524.4 Ų24.43%0.03114%0.144CC..  trans-124-168.2176.876.40000111.4V263 V267 G268 E270 P291 N293V263-T265 HydrophobicContact CG2-CG2 4.31Å; T265-V267 VanDerWaalsContact C-N 3.27Å; T265-V267 PolarHBondContact O-N 2.7Å; T265-V267 WeakPolarHBondContact OG1-CG2 3.27Å; T265-V267 PolarHBondContact OG1-N 2.88Å; T265-G268 PolarHBondContact N-O 2.9Å; T265-G268 PolarHBondContact OG1-O 2.95Å; T265-E270 WeakPolarHBondContact CB-OE2 3.38Å; T265-E270 HydrophobicContact CG2-CB 4.17Å; T265-E270 HydrophobicContact CG2-CG 4.19Å; T265-E270 WeakPolarHBondContact CG2-OE2 3.41Å; T265-E270 PolarHBondContact OG1-OE2 3.39Å; T265-P291 HydrophobicContact CG2-CB 4.35Å; T265-N293 HydrophobicContact CG2-CB 4.38Å
266S95.8Very high97.3Very high70 Ų7024.3 Ų24.349%0.4914%0.144SC..SBendtrans-65.1-27.3176.150.40000114.1
267V92.4Very high97.2Very high87 Ų8722.9 Ų22.953%0.52714%0.138SC..SBendtrans-98.7-9.1-175.4-61.10000113.5T265 E270 N293T265-V267 VanDerWaalsContact C-N 3.27Å; T265-V267 PolarHBondContact O-N 2.7Å; T265-V267 WeakPolarHBondContact OG1-CG2 3.27Å; T265-V267 PolarHBondContact OG1-N 2.88Å; V267-E270 HydrophobicContact CG2-CG 4Å; V267-N293 WeakPolarHBondContact CG2-ND2 3.48Å
268G93.8Very high96.9Very high27 Ų2724.5 Ų24.528%0.27815%0.146SC..SBendtrans131.8-146.618000000111.8T265T265-G268 PolarHBondContact N-O 2.9Å; T265-G268 PolarHBondContact OG1-O 2.95Å
269S95.3Very high96.6Very high75 Ų7526.5 Ų26.552%0.52416%0.156SC..EExtended strand (participates in β ladder)trans-80.2127.5176.6-164.60000109.7M262 V263M262-S269 WeakPolarHBondContact CB-OG 3.47Å; V263-S269 WeakPolarHBondContact O-CA 3.28Å
270E97.1Very high96.1Very high15 Ų1532.6 Ų32.67%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-128.2150.5178.6-66.4-169.111200111.4M262 V263 T265 V267 P291 P292 N293M262-E270 CarbonylContact C-O 3.54Å; M262-E270 WeakPolarHBondContact CA-O 3.34Å; M262-E270 VanDerWaalsContact CB-O 3.28Å; M262-E270 WeakPolarHBondContact CB-O 3.41Å; V263-E270 PolarHBondContact N-O 2.93Å; V263-E270 PolarHBondContact O-N 2.7Å; T265-E270 WeakPolarHBondContact CB-OE2 3.38Å; T265-E270 HydrophobicContact CG2-CB 4.17Å; T265-E270 HydrophobicContact CG2-CG 4.19Å; T265-E270 WeakPolarHBondContact CG2-OE2 3.41Å; T265-E270 PolarHBondContact OG1-OE2 3.39Å; V267-E270 HydrophobicContact CG2-CG 4Å; E270-P291 HydrophobicContact CB-CB 4.23Å; E270-P292 WeakPolarHBondContact OE1-CD 3.32Å; E270-P292 WeakPolarHBondContact OE1-CG 3.49Å; E270-N293 VanDerWaalsContact CD-ND2 3.34Å; E270-N293 PolarHBondContact OE1-ND2 2.76Å; E270-N293 VanDerWaalsContact OE2-CB 3.3Å; E270-N293 WeakPolarHBondContact OE2-CB 3.31Å; E270-N293 PolarHBondContact OE2-ND2 3Å
271L98.2Very high95.5Very high7 Ų733.8 Ų33.84%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-62.5132.8-177.6-173.765000111.8C260 R273 V274 V289 L317 A345 M346C260-L271 HydrophobicContact CB-CD1 3.61Å; L271-R273 VanDerWaalsContact CD1-O 3.25Å; L271-R273 WeakPolarHBondContact CD1-O 3.21Å; L271-V274 HydrophobicContact CD1-CB 4.25Å; L271-V274 HydrophobicContact CD2-CB 4.43Å; L271-V289 HydrophobicContact CD2-CB 4.33Å; L271-V289 HydrophobicContact CD2-CG1 4.27Å; L271-V289 HydrophobicContact CD2-CG2 3.9Å; L271-V289 HydrophobicContact CG-CB 4.2Å; L271-V289 HydrophobicContact CG-CG1 4.44Å; L271-V289 HydrophobicContact CG-CG2 4.08Å; L271-L317 HydrophobicContact CD2-CD1 3.76Å; L271-A345 HydrophobicContact CB-CB 4.26Å; L271-A345 HydrophobicContact CD1-CB 4.23Å; L271-M346 HydrophobicContact CD2-CG 4.03Å
272A98Very high95.1Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-128.6-22.9174.600000113.5E261 V263 L288 V289 I305 L310E261-A272 PolarHBondContact O-N 3.47Å; V263-A272 HydrophobicContact CB-CB 4.41Å; V263-A272 HydrophobicContact CG1-CB 3.6Å; V263-A272 HydrophobicContact CG2-CB 4.11Å; A272-L288 CarbonylContact O-C 3.58Å; A272-L288 WeakPolarHBondContact O-CA 3.34Å; A272-V289 WeakPolarHBondContact CA-O 3.42Å; A272-V289 PolarHBondContact O-N 3.04Å; A272-I305 HydrophobicContact CB-CG1 4.02Å; A272-I305 HydrophobicContact CB-CG2 4.33Å; A272-L310 HydrophobicContact CB-CD1 4.2Å
273R98.4Very high95Very high52 Ų5238.3 Ų38.320%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-147.6144.7168.5-169.2-178.6-176.5167.9-0.9110.2C260 E261 L271 D286 R287 L288 I305 S393C260-R273 CarbonylContact C-O 3.6Å; C260-R273 VanDerWaalsContact CA-O 3.27Å; C260-R273 WeakPolarHBondContact CA-O 3.32Å; E261-R273 HydrophobicContact CB-CB 3.93Å; E261-R273 HydrophobicContact CG-CB 4.22Å; E261-R273 PolarHBondContact N-O 3.18Å; E261-R273 PolarHBondContact O-N 3.13Å; L271-R273 VanDerWaalsContact CD1-O 3.25Å; L271-R273 WeakPolarHBondContact CD1-O 3.21Å; R273-D286 IonicContact CZ-OD1 2.68Å; R273-D286 IonicContact CZ-OD2 2.74Å; R273-D286 IonicContact NE-OD1 3.75Å; R273-D286 PolarHBondContact NE-OD1 2.97Å; R273-D286 IonicContact NE-OD2 3.47Å; R273-D286 IonicContact NH2-OD1 3.35Å; R273-D286 IonicContact NH2-OD2 3.66Å; R273-D286 PolarHBondContact NH2-OD2 3.11Å; R273-R287 CarbonylContact C-O 3.53Å; R273-R287 WeakPolarHBondContact CA-O 3.45Å; R273-R287 WeakPolarHBondContact CG-O 3.3Å; R273-L288 HydrophobicContact CB-CD2 4.13Å; R273-L288 HydrophobicContact CG-CD2 4.16Å; R273-I305 HydrophobicContact CB-CD1 3.97Å; R273-S393 WeakPolarHBondContact CD-OG 3.46Å; R273-S393 PolarHBondContact NE-OG 3.17Å
274V98.4Very high94.7Very high0 Ų042.2 Ų42.20%024%0.241CC..EExtended strand (participates in β ladder)trans-133.1137.1171.757.20000109.2L271 F285 D286 R287 V289 I320 M346L271-V274 HydrophobicContact CD1-CB 4.25Å; L271-V274 HydrophobicContact CD2-CB 4.43Å; V274-F285 HydrophobicContact CB-CE2 4.46Å; V274-F285 HydrophobicContact CG1-CD2 4.41Å; V274-F285 HydrophobicContact CG1-CE2 3.85Å; V274-F285 HydrophobicContact CG2-CE2 3.91Å; V274-D286 WeakPolarHBondContact O-CA 3.36Å; V274-R287 HydrophobicContact CG1-CB 4.09Å; V274-R287 PolarHBondContact N-O 2.9Å; V274-R287 PolarHBondContact O-N 3.22Å; V274-V289 HydrophobicContact CG1-CG2 4.15Å; V274-I320 HydrophobicContact CG1-CD1 3.75Å; V274-I320 HydrophobicContact CG1-CG1 3.96Å; V274-I320 HydrophobicContact CG1-CG2 3.82Å; V274-M346 HydrophobicContact CG2-CG 4.5Å; V274-M346 HydrophobicContact CG2-SD 3.73Å
275T97.8Very high94.5Very high0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-123.6134.4169.3-55.80000109.7V258 D259 I277 V283 F285 D286 S393 A394V258-T275 WeakPolarHBondContact CA-O 3.39Å; D259-T275 PolarHBondContact N-O 2.83Å; D259-T275 VanDerWaalsContact N-O 3.09Å; D259-T275 PolarHBondContact O-N 3.01Å; T275-I277 HydrophobicContact CG2-CG2 4.04Å; T275-V283 HydrophobicContact CG2-CG1 4.11Å; T275-F285 WeakPolarHBondContact CA-O 3.37Å; T275-D286 HydrophobicContact CG2-CB 4.2Å; T275-D286 VanDerWaalsContact OG1-CG 3.3Å; T275-D286 PolarHBondContact OG1-OD1 2.88Å; T275-S393 WeakPolarHBondContact OG1-CB 3.3Å; T275-S393 PolarHBondContact OG1-OG 3.29Å; T275-A394 HydrophobicContact CG2-CB 4.01Å
276M98Very high94.5Very high0 Ų041 Ų410%024%0.235CC..EExtended strand (participates in β ladder)trans-123.5133.3170.4-173174.778.100109.8Y256 A257 V258 M284 F285 L324 T327 L328Y256-M276 HydrophobicContact CD1-CE 4.31Å; Y256-M276 HydrophobicContact CD1-SD 4.42Å; A257-M276 CarbonylContact O-C 3.52Å; A257-M276 VanDerWaalsContact O-CA 3.32Å; A257-M276 WeakPolarHBondContact O-CA 3.42Å; V258-M276 HydrophobicContact CG1-CB 4.08Å; V258-M276 HydrophobicContact CG1-CG 3.79Å; V258-M276 HydrophobicContact CG1-SD 4.23Å; M276-M284 HydrophobicContact CE-CB 3.98Å; M276-M284 HydrophobicContact CE-CG 4.35Å; M276-M284 WeakPolarHBondContact O-CB 3.44Å; M276-M284 PolarHBondContact O-N 3.03Å; M276-F285 HydrophobicContact CB-CD1 4.14Å; M276-F285 HydrophobicContact CB-CD2 4.28Å; M276-F285 HydrophobicContact CB-CE1 3.71Å; M276-F285 HydrophobicContact CB-CE2 3.84Å; M276-F285 HydrophobicContact CB-CG 4.41Å; M276-F285 HydrophobicContact CB-CZ 3.53Å; M276-F285 HydrophobicContact CE-CD1 3.87Å; M276-F285 HydrophobicContact CE-CE1 3.35Å; M276-F285 HydrophobicContact CE-CZ 4.19Å; M276-F285 HydrophobicContact CG-CE1 4.38Å; M276-F285 HydrophobicContact CG-CZ 4.45Å; M276-F285 PolarHBondContact N-O 3.22Å; M276-F285 PolarHBondContact O-N 2.9Å; M276-F285 HydrophobicContact SD-CE1 3.89Å; M276-F285 HydrophobicContact SD-CZ 4.15Å; M276-L324 HydrophobicContact SD-CD2 3.79Å; M276-T327 HydrophobicContact CE-CG2 3.54Å; M276-L328 HydrophobicContact CE-CD2 4.22Å; M276-L328 HydrophobicContact SD-CD2 3.81Å; M276-L328 HydrophobicContact SD-CG 4.37Å
277I94.9Very high94.6Very high0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-125.2155.8177.973.4175.6000110.9Y256 A257 T275 T282 V283 A397 I398 M401Y256-I277 CarbonylContact C-O 3.59Å; Y256-I277 VanDerWaalsContact CA-O 3.22Å; Y256-I277 WeakPolarHBondContact CA-O 3.19Å; A257-I277 HydrophobicContact CB-CD1 4.1Å; A257-I277 HydrophobicContact CB-CG1 3.77Å; A257-I277 PolarHBondContact N-O 3.4Å; A257-I277 PolarHBondContact O-N 2.9Å; T275-I277 HydrophobicContact CG2-CG2 4.04Å; I277-T282 CarbonylContact C-O 3.2Å; I277-T282 WeakPolarHBondContact CA-O 3.47Å; I277-T282 WeakPolarHBondContact CB-O 3.33Å; I277-V283 HydrophobicContact CG2-CB 4.41Å; I277-V283 HydrophobicContact CG2-CG2 3.94Å; I277-A397 VanDerWaalsContact CD1-C 3.44Å; I277-A397 HydrophobicContact CD1-CB 4.08Å; I277-A397 WeakPolarHBondContact CD1-O 3.37Å; I277-A397 HydrophobicContact CG1-CB 4.28Å; I277-A397 HydrophobicContact CG2-CB 4.22Å; I277-I398 VanDerWaalsContact CD1-CA 3.41Å; I277-I398 HydrophobicContact CD1-CB 4.12Å; I277-I398 HydrophobicContact CD1-CG1 3.59Å; I277-I398 HydrophobicContact CG2-CG1 4.48Å; I277-M401 HydrophobicContact CD1-CB 3.92Å
278D92.4Very high94.9Very high33 Ų3339.7 Ų39.718%0.17621%0.212CC..EExtended strand (participates in β ladder)trans-84.4175.6171.576.73.1000112.8K280 A281 T282 M284D278-K280 PolarHBondContact O-N 2.94Å; D278-K280 WeakPolarHBondContact OD1-CA 3.44Å; D278-K280 WeakPolarHBondContact OD1-CB 3.42Å; D278-K280 PolarHBondContact OD1-N 3.28Å; D278-A281 PolarHBondContact O-N 3.43Å; D278-A281 PolarHBondContact OD1-N 3.36Å; D278-A281 VanDerWaalsContact OD1-N 3.14Å; D278-T282 PolarHBondContact N-O 2.83Å; D278-T282 WeakPolarHBondContact OD1-CA 3.32Å; D278-T282 VanDerWaalsContact OD1-CB 3.27Å; D278-T282 WeakPolarHBondContact OD1-CB 3.48Å; D278-T282 PolarHBondContact OD1-N 2.69Å; D278-T282 PolarHBondContact OD1-OG1 2.95Å; D278-T282 PolarHBondContact OD2-OG1 3.44Å; D278-M284 HydrophobicContact CB-CG 4.28Å; D278-M284 HydrophobicContact CB-SD 4.15Å
279E93.3Very high95.1Very high43 Ų4338.5 Ų38.520%0.20120%0.2CC..THydrogen-bonded Turntrans-60.5-22.6177.8-171170.5173.800113.6R204 M255 A281 M401 R405R204-E279 IonicContact CZ-OE1 3.94Å; R204-E279 IonicContact CZ-OE2 2.69Å; R204-E279 IonicContact NH1-OE1 3.28Å; R204-E279 PolarHBondContact NH1-OE1 2.82Å; R204-E279 IonicContact NH1-OE2 3.3Å; R204-E279 PolarHBondContact NH1-OE2 3.36Å; R204-E279 IonicContact NH2-OE1 3.47Å; R204-E279 PolarHBondContact NH2-OE1 3.2Å; R204-E279 IonicContact NH2-OE2 3.55Å; M255-E279 VanDerWaalsContact CE-CD 3.48Å; M255-E279 HydrophobicContact CE-CG 3.92Å; M255-E279 WeakPolarHBondContact CE-OE1 3.32Å; M255-E279 PolarHBondContact O-N 2.99Å; E279-A281 PolarHBondContact O-N 3.19Å; E279-M401 HydrophobicContact CB-SD 4.45Å; E279-M401 HydrophobicContact CG-SD 4.38Å; E279-R405 HydrophobicContact CG-CG 4.43Å; E279-R405 VanDerWaalsContact O-CD 3.24Å; E279-R405 WeakPolarHBondContact O-CD 3.27Å; E279-R405 PolarHBondContact O-NH1 3.44Å
280K87Confident95.2Very high145 Ų14539.5 Ų39.563%0.6320%0.195SC*.THydrogen-bonded Turntrans-84.43.3175.8-61.7177.1-178.1172.90112.8P196 D278 T282P196-K280 HydrophobicContact CB-CG 4.24Å; D278-K280 PolarHBondContact O-N 2.94Å; D278-K280 WeakPolarHBondContact OD1-CA 3.44Å; D278-K280 WeakPolarHBondContact OD1-CB 3.42Å; D278-K280 PolarHBondContact OD1-N 3.28Å; K280-T282 VanDerWaalsContact C-N 3.26Å
281A87.1Confident95.2Very high30 Ų3039.5 Ų39.525%0.24820%0.196CC..  trans65.125.6-172.800000113.9D278 E279 I398D278-A281 PolarHBondContact O-N 3.43Å; D278-A281 PolarHBondContact OD1-N 3.36Å; D278-A281 VanDerWaalsContact OD1-N 3.14Å; E279-A281 PolarHBondContact O-N 3.19Å; A281-I398 HydrophobicContact CB-CG1 4.26Å; A281-I398 HydrophobicContact CB-CG2 4.22Å
282T89.4Confident95Very high75 Ų7543.5 Ų43.546%0.4622%0.222SC..  trans-81.8127.3170.5-42.50000109I277 D278 K280 M284I277-T282 CarbonylContact C-O 3.2Å; I277-T282 WeakPolarHBondContact CA-O 3.47Å; I277-T282 WeakPolarHBondContact CB-O 3.33Å; D278-T282 PolarHBondContact N-O 2.83Å; D278-T282 WeakPolarHBondContact OD1-CA 3.32Å; D278-T282 VanDerWaalsContact OD1-CB 3.27Å; D278-T282 WeakPolarHBondContact OD1-CB 3.48Å; D278-T282 PolarHBondContact OD1-N 2.69Å; D278-T282 PolarHBondContact OD1-OG1 2.95Å; D278-T282 PolarHBondContact OD2-OG1 3.44Å; K280-T282 VanDerWaalsContact C-N 3.26Å; T282-M284 PolarHBondContact O-N 2.62Å
283V93.9Very high95Very high67 Ų6745.8 Ų45.841%0.40624%0.235SC..EExtended strand (participates in β ladder)trans-70.3113.5174.9-179.90000109.5T275 I277 D286T275-V283 HydrophobicContact CG2-CG1 4.11Å; I277-V283 HydrophobicContact CG2-CB 4.41Å; I277-V283 HydrophobicContact CG2-CG2 3.94Å; V283-D286 HydrophobicContact CG1-CB 4Å
284M92.7Very high94.9Very high82 Ų8248.4 Ų48.440%0.40426%0.258SS..EExtended strand (participates in β ladder)trans-76.4-47.7176.8-63.9-63.7-65.500110.1M276 D278 T282 T327M276-M284 HydrophobicContact CE-CB 3.98Å; M276-M284 HydrophobicContact CE-CG 4.35Å; M276-M284 WeakPolarHBondContact O-CB 3.44Å; M276-M284 PolarHBondContact O-N 3.03Å; D278-M284 HydrophobicContact CB-CG 4.28Å; D278-M284 HydrophobicContact CB-SD 4.15Å; T282-M284 PolarHBondContact O-N 2.62Å; M284-T327 HydrophobicContact CE-CG2 3.73Å
285F94.3Very high94.9Very high3 Ų350.1 Ų50.11%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-151.8154.3167.662.6-105.9000111V274 T275 M276 R287 E323 L324V274-F285 HydrophobicContact CB-CE2 4.46Å; V274-F285 HydrophobicContact CG1-CD2 4.41Å; V274-F285 HydrophobicContact CG1-CE2 3.85Å; V274-F285 HydrophobicContact CG2-CE2 3.91Å; T275-F285 WeakPolarHBondContact CA-O 3.37Å; M276-F285 HydrophobicContact CB-CD1 4.14Å; M276-F285 HydrophobicContact CB-CD2 4.28Å; M276-F285 HydrophobicContact CB-CE1 3.71Å; M276-F285 HydrophobicContact CB-CE2 3.84Å; M276-F285 HydrophobicContact CB-CG 4.41Å; M276-F285 HydrophobicContact CB-CZ 3.53Å; M276-F285 HydrophobicContact CE-CD1 3.87Å; M276-F285 HydrophobicContact CE-CE1 3.35Å; M276-F285 HydrophobicContact CE-CZ 4.19Å; M276-F285 HydrophobicContact CG-CE1 4.38Å; M276-F285 HydrophobicContact CG-CZ 4.45Å; M276-F285 PolarHBondContact N-O 3.22Å; M276-F285 PolarHBondContact O-N 2.9Å; M276-F285 HydrophobicContact SD-CE1 3.89Å; M276-F285 HydrophobicContact SD-CZ 4.15Å; F285-R287 HydrophobicContact CB-CG 4.36Å; F285-R287 HydrophobicContact CD2-CG 4.01Å; F285-E323 WeakPolarHBondContact CB-OE1 3.47Å; F285-E323 HydrophobicContact CD1-CG 4Å; F285-E323 HydrophobicContact CE1-CG 4.21Å; F285-L324 HydrophobicContact CE1-CD2 4.15Å; F285-L324 HydrophobicContact CZ-CD2 3.75Å; F285-L324 HydrophobicContact CZ-CG 4.18Å
286D97Very high94.8Very high51 Ų5157.2 Ų57.227%0.27330%0.299SS..EExtended strand (participates in β ladder)trans-141116.8170.2-179.115.5000106.3R273 V274 T275 V283R273-D286 IonicContact CZ-OD1 2.68Å; R273-D286 IonicContact CZ-OD2 2.74Å; R273-D286 IonicContact NE-OD1 3.75Å; R273-D286 PolarHBondContact NE-OD1 2.97Å; R273-D286 IonicContact NE-OD2 3.47Å; R273-D286 IonicContact NH2-OD1 3.35Å; R273-D286 IonicContact NH2-OD2 3.66Å; R273-D286 PolarHBondContact NH2-OD2 3.11Å; V274-D286 WeakPolarHBondContact O-CA 3.36Å; T275-D286 HydrophobicContact CG2-CB 4.2Å; T275-D286 VanDerWaalsContact OG1-CG 3.3Å; T275-D286 PolarHBondContact OG1-OD1 2.88Å; V283-D286 HydrophobicContact CG1-CB 4Å
287R98Very high94.8Very high90 Ų9061 Ų6134%0.3432%0.319SS..EExtended strand (participates in β ladder)trans-133.4130.2-167.9-60.2-68.3179.8-100.7-3.1109.8R273 V274 F285 I320 E323R273-R287 CarbonylContact C-O 3.53Å; R273-R287 WeakPolarHBondContact CA-O 3.45Å; R273-R287 WeakPolarHBondContact CG-O 3.3Å; V274-R287 HydrophobicContact CG1-CB 4.09Å; V274-R287 PolarHBondContact N-O 2.9Å; V274-R287 PolarHBondContact O-N 3.22Å; F285-R287 HydrophobicContact CB-CG 4.36Å; F285-R287 HydrophobicContact CD2-CG 4.01Å; R287-I320 HydrophobicContact CB-CD1 3.65Å; R287-I320 HydrophobicContact CG-CD1 3.79Å; R287-E323 IonicContact CZ-OE1 3.69Å; R287-E323 IonicContact NE-OE1 2.68Å; R287-E323 PolarHBondContact NE-OE1 3.13Å; R287-E323 IonicContact NE-OE2 2.76Å; R287-E323 PolarHBondContact NE-OE2 3.16Å; R287-E323 IonicContact NH2-OE1 3.99Å; R287-E323 PolarHBondContact NH2-OE1 3.4Å; R287-E323 IonicContact NH2-OE2 2.99Å
288L98.3Very high94.9Very high39 Ų3963.5 Ų63.520%0.20433%0.329CS..EExtended strand (participates in β ladder)trans-74.4143157.7-67.2171000108.7A272 R273 I305 M309 L310 I313 T315A272-L288 CarbonylContact O-C 3.58Å; A272-L288 WeakPolarHBondContact O-CA 3.34Å; R273-L288 HydrophobicContact CB-CD2 4.13Å; R273-L288 HydrophobicContact CG-CD2 4.16Å; L288-I305 HydrophobicContact CD2-CD1 3.61Å; L288-M309 HydrophobicContact CD1-CB 4.2Å; L288-M309 HydrophobicContact CD1-CE 4.27Å; L288-M309 HydrophobicContact CD2-CE 3.88Å; L288-L310 HydrophobicContact CB-CD2 4.21Å; L288-L310 HydrophobicContact CD2-CD2 4.22Å; L288-I313 HydrophobicContact CB-CD1 3.95Å; L288-I313 HydrophobicContact CB-CG1 3.84Å; L288-I313 HydrophobicContact CB-CG2 4.04Å; L288-I313 HydrophobicContact CD1-CD1 3.95Å; L288-I313 HydrophobicContact CD1-CG1 4.04Å; L288-I313 WeakPolarHBondContact O-CG2 3.48Å; L288-T315 WeakPolarHBondContact O-CB 3.26Å
289V98.3Very high95Very high2 Ų264.1 Ų64.11%0.01233%0.333CS..  trans-126.9134-176.6-174.20000108.3L271 A272 V274 P291 I320L271-V289 HydrophobicContact CD2-CB 4.33Å; L271-V289 HydrophobicContact CD2-CG1 4.27Å; L271-V289 HydrophobicContact CD2-CG2 3.9Å; L271-V289 HydrophobicContact CG-CB 4.2Å; L271-V289 HydrophobicContact CG-CG1 4.44Å; L271-V289 HydrophobicContact CG-CG2 4.08Å; A272-V289 WeakPolarHBondContact CA-O 3.42Å; A272-V289 PolarHBondContact O-N 3.04Å; V274-V289 HydrophobicContact CG1-CG2 4.15Å; V289-P291 VanDerWaalsContact O-CD 3.28Å; V289-P291 WeakPolarHBondContact O-CD 3.44Å; V289-I320 HydrophobicContact CG2-CD1 3.97Å; V289-I320 HydrophobicContact CG2-CG1 3.6Å
290K98Very high95.1Very high96 Ų9664.7 Ų64.742%0.41734%0.339SS..  trans-78.9115.2174.4-167.1-174.3-155.1158.50109.2I313 D314 T315K290-I313 WeakPolarHBondContact CB-O 3.2Å; K290-I313 VanDerWaalsContact CD-O 3.32Å; K290-I313 WeakPolarHBondContact CD-O 3.43Å; K290-D314 IonicContact NZ-OD1 3.23Å; K290-D314 PolarHBondContact NZ-OD1 2.91Å; K290-T315 PolarHBondContact N-O 3.07Å
291P97.1Very high95.3Very high15 Ų1564.6 Ų64.610%0.09734%0.338CS..  trans-63.1141.5174.8-18.431.5000110.2V263 T265 E270 V289 N293 V295 L310V263-P291 HydrophobicContact CG2-CB 4.28Å; V263-P291 HydrophobicContact CG2-CG 3.55Å; T265-P291 HydrophobicContact CG2-CB 4.35Å; E270-P291 HydrophobicContact CB-CB 4.23Å; V289-P291 VanDerWaalsContact O-CD 3.28Å; V289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-N293 VanDerWaalsContact C-N 3.26Å; P291-N293 PolarHBondContact O-N 3.22Å; P291-V295 HydrophobicContact CB-CG2 4.46Å; P291-V295 HydrophobicContact CG-CG2 3.92Å; P291-L310 HydrophobicContact CG-CD1 4.29Å
292P94Very high95.5Very high91 Ų9168 Ų6859%0.59135%0.348SS*.SBendtrans-71.1-23.1-177.828.6-34.5000112.5E270E270-P292 WeakPolarHBondContact OE1-CD 3.32Å; E270-P292 WeakPolarHBondContact OE1-CG 3.49Å
293N96.9Very high95.6Very high48 Ų4864.5 Ų64.526%0.25733%0.327SS..SBendtrans-105.3152.4175.3-57-86.1000111.7T265 V267 E270 P291 V295T265-N293 HydrophobicContact CG2-CB 4.38Å; V267-N293 WeakPolarHBondContact CG2-ND2 3.48Å; E270-N293 VanDerWaalsContact CD-ND2 3.34Å; E270-N293 PolarHBondContact OE1-ND2 2.76Å; E270-N293 VanDerWaalsContact OE2-CB 3.3Å; E270-N293 WeakPolarHBondContact OE2-CB 3.31Å; E270-N293 PolarHBondContact OE2-ND2 3Å; P291-N293 VanDerWaalsContact C-N 3.26Å; P291-N293 PolarHBondContact O-N 3.22Å; N293-V295 PolarHBondContact O-N 3.44Å
294P96.5Very high95.6Very high107 Ų10762 Ų6270%0.69532%0.315SS*.  trans-56.8130.5174.6-25.334.5000112.8K296P294-K296 PolarHBondContact O-N 3.39Å
295V97.4Very high95.8Very high35 Ų3558.1 Ų58.121%0.21230%0.295CS..  trans-69.5125.8179-176.40000110.7V263 P291 N293 Y298V263-V295 HydrophobicContact CB-CG1 3.88Å; V263-V295 HydrophobicContact CB-CG2 4.43Å; V263-V295 HydrophobicContact CG1-CG1 4.42Å; V263-V295 HydrophobicContact CG2-CG1 4.09Å; V263-V295 HydrophobicContact CG2-CG2 3.76Å; P291-V295 HydrophobicContact CB-CG2 4.46Å; P291-V295 HydrophobicContact CG-CG2 3.92Å; N293-V295 PolarHBondContact O-N 3.44Å; V295-Y298 HydrophobicContact CB-CE1 4.15Å; V295-Y298 HydrophobicContact CB-CE2 4.19Å; V295-Y298 HydrophobicContact CG1-CD1 3.91Å; V295-Y298 HydrophobicContact CG1-CD2 3.85Å; V295-Y298 HydrophobicContact CG1-CE1 3.92Å; V295-Y298 HydrophobicContact CG1-CE2 3.82Å; V295-Y298 HydrophobicContact CG1-CG 3.87Å; V295-Y298 HydrophobicContact CG2-CE1 4.23Å
296K97.4Very high95.8Very high149 Ų14960.4 Ų60.465%0.64831%0.309SS*.SBendtrans-90.7-42.1173.9-68.1-175.4176.9179.10112.1L264 P294L264-K296 WeakPolarHBondContact O-CB 3.38Å; L264-K296 PolarHBondContact O-N 2.66Å; P294-K296 PolarHBondContact O-N 3.39Å
297D97.8Very high95.8Very high79 Ų7966.5 Ų66.542%0.42233%0.329SS..BIsolated β-bridgetrans-142.8124.2176.3-174.4-6.1000108.7L264 L299L264-D297 HydrophobicContact CB-CB 4.14Å; L264-D297 HydrophobicContact CD2-CB 4.33Å; L264-D297 PolarHBondContact N-O 2.93Å; L264-D297 PolarHBondContact O-N 2.85Å; L264-D297 VanDerWaalsContact O-N 3.16Å; D297-L299 HydrophobicContact CB-CD2 4.47Å; D297-L299 PolarHBondContact O-N 3.08Å; D297-L299 PolarHBondContact OD1-N 3.2Å
298Y96.7Very high95.7Very high53 Ų5368.6 Ų68.621%0.20835%0.347CS..  trans-73.4-13.6179.2-71-92.8000112.3V263 V295 T300 S303 I305 R307 L310V263-Y298 HydrophobicContact CG1-CD1 4.27Å; V295-Y298 HydrophobicContact CB-CE1 4.15Å; V295-Y298 HydrophobicContact CB-CE2 4.19Å; V295-Y298 HydrophobicContact CG1-CD1 3.91Å; V295-Y298 HydrophobicContact CG1-CD2 3.85Å; V295-Y298 HydrophobicContact CG1-CE1 3.92Å; V295-Y298 HydrophobicContact CG1-CE2 3.82Å; V295-Y298 HydrophobicContact CG1-CG 3.87Å; V295-Y298 HydrophobicContact CG2-CE1 4.23Å; Y298-T300 WeakPolarHBondContact CB-OG1 3.4Å; Y298-T300 PolarHBondContact O-N 2.68Å; Y298-T300 VanDerWaalsContact O-N 3.13Å; Y298-S303 PolarHBondContact O-OG 3.24Å; Y298-I305 WeakPolarHBondContact CB-O 3.42Å; Y298-I305 HydrophobicContact CD1-CG2 4.01Å; Y298-R307 VanDerWaalsContact CE1-CA 3.48Å; Y298-R307 HydrophobicContact CE1-CB 4.13Å; Y298-R307 HydrophobicContact CE2-CB 3.9Å; Y298-R307 HydrophobicContact CE2-CG 4.48Å; Y298-R307 VanDerWaalsContact CZ-CA 3.5Å; Y298-R307 WeakPolarHBondContact OH-CG 3.45Å; Y298-L310 HydrophobicContact CD1-CD1 4.4Å; Y298-L310 HydrophobicContact CE1-CD1 4.04Å
299L94.9Very high95.5Very high47 Ų4769.8 Ų69.825%0.24635%0.352CS..  trans54.630.1-176.4-57.1173.2000112.2L264 D297 K301 F302 S303L264-L299 HydrophobicContact CB-CD1 4.36Å; L264-L299 HydrophobicContact CB-CG 4.47Å; D297-L299 HydrophobicContact CB-CD2 4.47Å; D297-L299 PolarHBondContact O-N 3.08Å; D297-L299 PolarHBondContact OD1-N 3.2Å; L299-K301 PolarHBondContact O-N 2.59Å; L299-F302 WeakPolarHBondContact O-CA 3.12Å; L299-F302 PolarHBondContact O-N 3.42Å; L299-S303 PolarHBondContact O-N 3.43Å; L299-S303 PolarHBondContact O-OG 3.28Å
300T94.4Very high95.4Very high55 Ų5570.3 Ų70.334%0.33735%0.354SS..Hα-helixtrans-50.5-32.9-168.1-51.20000114.2Y298 F302 G304 I305 T306Y298-T300 WeakPolarHBondContact CB-OG1 3.4Å; Y298-T300 PolarHBondContact O-N 2.68Å; Y298-T300 VanDerWaalsContact O-N 3.13Å; T300-F302 PolarHBondContact O-N 3.28Å; T300-G304 VanDerWaalsContact O-CA 3.3Å; T300-G304 WeakPolarHBondContact O-CA 3.48Å; T300-G304 PolarHBondContact O-N 2.85Å; T300-I305 WeakPolarHBondContact CB-O 3.2Å; T300-I305 WeakPolarHBondContact CG2-O 3.45Å; T300-I305 PolarHBondContact OG1-O 2.9Å; T300-T306 HydrophobicContact CG2-CG2 3.98Å
301K91.8Very high95.1Very high142 Ų14269 Ų6962%0.61736%0.362SS*.Hα-helixtrans-60.9-22.8175.158.2165.5167.4167.20114.3L299 G390L299-K301 PolarHBondContact O-N 2.59Å; K301-G390 WeakPolarHBondContact O-CA 3.42Å
302F90.7Very high95Very high103 Ų10375.7 Ų75.745%0.45240%0.396SS..Hα-helixtrans-112-49.3178.9-55.8-54.3000110.3L299 T300 G390 H391L299-F302 WeakPolarHBondContact O-CA 3.12Å; L299-F302 PolarHBondContact O-N 3.42Å; T300-F302 PolarHBondContact O-N 3.28Å; F302-G390 CarbonylContact O-C 3.51Å; F302-G390 WeakPolarHBondContact O-CA 3.21Å; F302-H391 WeakPolarHBondContact O-CB 3.44Å; F302-H391 PolarHBondContact O-N 3.05Å
303S91.5Very high95.1Very high1 Ų173.1 Ų73.11%0.00738%0.377CS..Hα-helixtrans-78.9-22.5-173.969.30000114.5E261 M262 Y298 L299 I305E261-S303 WeakPolarHBondContact CG-O 3.5Å; E261-S303 VanDerWaalsContact OE2-CA 3.31Å; E261-S303 WeakPolarHBondContact OE2-CA 3.29Å; M262-S303 WeakPolarHBondContact O-CB 3.28Å; Y298-S303 PolarHBondContact O-OG 3.24Å; L299-S303 PolarHBondContact O-N 3.43Å; L299-S303 PolarHBondContact O-OG 3.28Å; S303-I305 PolarHBondContact O-N 2.93Å; S303-I305 PolarHBondContact OG-N 3.17Å; S303-I305 VanDerWaalsContact OG-N 3.08Å
304G93.8Very high95Very high15 Ų1576.3 Ų76.316%0.15539%0.394CS..  trans65.70.2-167.800000114.6T300 M309 G389T300-G304 VanDerWaalsContact O-CA 3.3Å; T300-G304 WeakPolarHBondContact O-CA 3.48Å; T300-G304 PolarHBondContact O-N 2.85Å; G304-M309 VanDerWaalsContact O-SD 3.38Å; G304-G389 WeakPolarHBondContact CA-O 3.4Å
305I96.2Very high95.1Very high0 Ų073.3 Ų73.30%037%0.373CS..  trans-80.2133.5-177.8-54.4-58.9000109.9E261 V263 A272 R273 L288 Y298 T300 S303 M309 L310E261-I305 HydrophobicContact CB-CD1 4.49Å; E261-I305 HydrophobicContact CB-CG1 4.27Å; V263-I305 HydrophobicContact CG1-CB 4.3Å; V263-I305 HydrophobicContact CG1-CG2 4.21Å; A272-I305 HydrophobicContact CB-CG1 4.02Å; A272-I305 HydrophobicContact CB-CG2 4.33Å; R273-I305 HydrophobicContact CB-CD1 3.97Å; L288-I305 HydrophobicContact CD2-CD1 3.61Å; Y298-I305 WeakPolarHBondContact CB-O 3.42Å; Y298-I305 HydrophobicContact CD1-CG2 4.01Å; T300-I305 WeakPolarHBondContact CB-O 3.2Å; T300-I305 WeakPolarHBondContact CG2-O 3.45Å; T300-I305 PolarHBondContact OG1-O 2.9Å; S303-I305 PolarHBondContact O-N 2.93Å; S303-I305 PolarHBondContact OG-N 3.17Å; S303-I305 VanDerWaalsContact OG-N 3.08Å; I305-M309 HydrophobicContact CD1-CE 3.96Å; I305-L310 HydrophobicContact CG2-CD1 3.66Å; I305-L310 HydrophobicContact CG2-CD2 4.11Å; I305-L310 HydrophobicContact CG2-CG 3.61Å
306T95.6Very high95.1Very high50 Ų5073.9 Ų73.931%0.30738%0.377SS..  trans-114.1162.3171.571.10000110.7T300 D308 M309 L310T300-T306 HydrophobicContact CG2-CG2 3.98Å; T306-D308 VanDerWaalsContact C-N 3.25Å; T306-D308 PolarHBondContact O-N 2.9Å; T306-M309 HydrophobicContact CG2-SD 4.21Å; T306-M309 WeakPolarHBondContact O-CB 3.3Å; T306-M309 PolarHBondContact O-N 3.34Å; T306-M309 VanDerWaalsContact OG1-CG 3.28Å; T306-M309 WeakPolarHBondContact OG1-CG 3.24Å; T306-M309 PolarHBondContact OG1-N 3.12Å; T306-L310 PolarHBondContact O-N 3.36Å
307R96.1Very high95.2Very high179 Ų17967.4 Ų67.468%0.67535%0.35SS*.Hα-helixtrans-55.3-43.7172.4179.6175.3-174-1720.9112Y298 M309 L310 A311Y298-R307 VanDerWaalsContact CE1-CA 3.48Å; Y298-R307 HydrophobicContact CE1-CB 4.13Å; Y298-R307 HydrophobicContact CE2-CB 3.9Å; Y298-R307 HydrophobicContact CE2-CG 4.48Å; Y298-R307 VanDerWaalsContact CZ-CA 3.5Å; Y298-R307 WeakPolarHBondContact OH-CG 3.45Å; R307-M309 VanDerWaalsContact C-N 3.29Å; R307-M309 PolarHBondContact O-N 3.07Å; R307-L310 PolarHBondContact O-N 3.29Å; R307-A311 WeakPolarHBondContact O-CB 3.49Å; R307-A311 PolarHBondContact O-N 3.08Å
308D96.1Very high95.2Very high135 Ų13568.9 Ų68.972%0.72235%0.354SS*.Hα-helixtrans-67.2-33.1-176.7-58.7-25.4000111.6T306 L310T306-D308 VanDerWaalsContact C-N 3.25Å; T306-D308 PolarHBondContact O-N 2.9Å; D308-L310 VanDerWaalsContact C-N 3.33Å; D308-L310 PolarHBondContact O-N 3.43Å
309M94.6Very high95.2Very high64 Ų6468.5 Ų68.532%0.31536%0.356SS..Hα-helixtrans-63.1-37.1173.6-73.3169.366.600112.6L288 G304 I305 T306 R307 I313L288-M309 HydrophobicContact CD1-CB 4.2Å; L288-M309 HydrophobicContact CD1-CE 4.27Å; L288-M309 HydrophobicContact CD2-CE 3.88Å; G304-M309 VanDerWaalsContact O-SD 3.38Å; I305-M309 HydrophobicContact CD1-CE 3.96Å; T306-M309 HydrophobicContact CG2-SD 4.21Å; T306-M309 WeakPolarHBondContact O-CB 3.3Å; T306-M309 PolarHBondContact O-N 3.34Å; T306-M309 VanDerWaalsContact OG1-CG 3.28Å; T306-M309 WeakPolarHBondContact OG1-CG 3.24Å; T306-M309 PolarHBondContact OG1-N 3.12Å; R307-M309 VanDerWaalsContact C-N 3.29Å; R307-M309 PolarHBondContact O-N 3.07Å; M309-I313 WeakPolarHBondContact O-CG1 3.49Å
310L95.9Very high95.4Very high12 Ų1266.3 Ų66.36%0.06334%0.344CS..Hα-helixtrans-92.5-12.9-178.5-64.5-171.1000114.1A272 L288 P291 Y298 I305 T306 R307 D308 L312 I313A272-L310 HydrophobicContact CB-CD1 4.2Å; L288-L310 HydrophobicContact CB-CD2 4.21Å; L288-L310 HydrophobicContact CD2-CD2 4.22Å; P291-L310 HydrophobicContact CG-CD1 4.29Å; Y298-L310 HydrophobicContact CD1-CD1 4.4Å; Y298-L310 HydrophobicContact CE1-CD1 4.04Å; I305-L310 HydrophobicContact CG2-CD1 3.66Å; I305-L310 HydrophobicContact CG2-CD2 4.11Å; I305-L310 HydrophobicContact CG2-CG 3.61Å; T306-L310 PolarHBondContact O-N 3.36Å; R307-L310 PolarHBondContact O-N 3.29Å; D308-L310 VanDerWaalsContact C-N 3.33Å; D308-L310 PolarHBondContact O-N 3.43Å; L310-L312 PolarHBondContact O-N 2.81Å; L310-L312 VanDerWaalsContact O-N 3.17Å; L310-I313 HydrophobicContact CD2-CG1 4.46Å; L310-I313 PolarHBondContact O-N 2.9Å
311A93Very high95.6Very high69 Ų6964.8 Ų64.857%0.5733%0.333SS*.THydrogen-bonded Turntrans-59.9-31.3-171.600000114.1R307R307-A311 WeakPolarHBondContact O-CB 3.49Å; R307-A311 PolarHBondContact O-N 3.08Å
312L93Very high95.9Very high156 Ų15664.1 Ų64.182%0.81733%0.327SS*.THydrogen-bonded Turntrans-113.511.4-178.1-58.8178.2000113L310L310-L312 PolarHBondContact O-N 2.81Å; L310-L312 VanDerWaalsContact O-N 3.17Å
313I96.4Very high96.2Very high37 Ų3761.3 Ų61.319%0.1932%0.315CS..  trans-91.2125-179.7-59.4-61.8000109.1L288 K290 M309 L310L288-I313 HydrophobicContact CB-CD1 3.95Å; L288-I313 HydrophobicContact CB-CG1 3.84Å; L288-I313 HydrophobicContact CB-CG2 4.04Å; L288-I313 HydrophobicContact CD1-CD1 3.95Å; L288-I313 HydrophobicContact CD1-CG1 4.04Å; L288-I313 WeakPolarHBondContact O-CG2 3.48Å; K290-I313 WeakPolarHBondContact CB-O 3.2Å; K290-I313 VanDerWaalsContact CD-O 3.32Å; K290-I313 WeakPolarHBondContact CD-O 3.43Å; M309-I313 WeakPolarHBondContact O-CG1 3.49Å; L310-I313 HydrophobicContact CD2-CG1 4.46Å; L310-I313 PolarHBondContact O-N 2.9Å
314D96.1Very high96.5Very high114 Ų11461.3 Ų61.361%0.6132%0.315SS*.  trans-113.7-4.8175.4-71-38.5000113.5K290 T316K290-D314 IonicContact NZ-OD1 3.23Å; K290-D314 PolarHBondContact NZ-OD1 2.91Å; D314-T316 WeakPolarHBondContact O-CG2 3.41Å; D314-T316 PolarHBondContact O-N 2.91Å
315T98.2Very high96.6Very high44 Ų4462 Ų6227%0.2732%0.319SS..  trans-55.6120.4172.2-50.50000109.9L288 K290 D319 I320L288-T315 WeakPolarHBondContact O-CB 3.26Å; K290-T315 PolarHBondContact N-O 3.07Å; T315-D319 HydrophobicContact CG2-CB 4.04Å; T315-I320 HydrophobicContact CG2-CD1 3.88Å; T315-I320 HydrophobicContact CG2-CG1 4.44Å
316T98.1Very high96.6Very high47 Ų4768.9 Ų68.929%0.28835%0.351SS..  trans-95.7171.5-178.781.10000111.9D314 E318 D319 I320D314-T316 WeakPolarHBondContact O-CG2 3.41Å; D314-T316 PolarHBondContact O-N 2.91Å; T316-E318 WeakPolarHBondContact CB-OE2 3.35Å; T316-E318 PolarHBondContact O-N 2.88Å; T316-E318 PolarHBondContact OG1-N 2.8Å; T316-E318 PolarHBondContact OG1-OE2 3.45Å; T316-D319 PolarHBondContact N-OD2 2.93Å; T316-D319 WeakPolarHBondContact O-CB 3.25Å; T316-D319 PolarHBondContact O-N 3.42Å; T316-D319 PolarHBondContact OG1-N 2.98Å; T316-I320 PolarHBondContact O-N 2.91Å
317L97.6Very high96.6Very high14 Ų1468.7 Ų68.77%0.07335%0.35CS..Hα-helixtrans-59.2-39.6171.9-179.163.2000111.7L271 D319 I320 Q321 M346 K347L271-L317 HydrophobicContact CD2-CD1 3.76Å; L317-D319 VanDerWaalsContact C-N 3.29Å; L317-D319 PolarHBondContact O-N 2.85Å; L317-I320 WeakPolarHBondContact O-CB 3.42Å; L317-I320 PolarHBondContact O-N 3Å; L317-Q321 WeakPolarHBondContact O-CG 3.03Å; L317-Q321 PolarHBondContact O-N 2.83Å; L317-M346 WeakPolarHBondContact CD1-O 2.98Å; L317-K347 HydrophobicContact CD2-CB 4.16Å; L317-K347 HydrophobicContact CD2-CD 3.56Å; L317-K347 HydrophobicContact CD2-CG 3.79Å
318E98Very high96.7Very high109 Ų10960.2 Ų60.251%0.50932%0.318SS..Hα-helixtrans-65.7-32.2179.3-60.374.4-164.800112T316 Q321 R322T316-E318 WeakPolarHBondContact CB-OE2 3.35Å; T316-E318 PolarHBondContact O-N 2.88Å; T316-E318 PolarHBondContact OG1-N 2.8Å; T316-E318 PolarHBondContact OG1-OE2 3.45Å; E318-Q321 PolarHBondContact O-N 3.16Å; E318-R322 WeakPolarHBondContact O-CB 3.23Å; E318-R322 PolarHBondContact O-N 3.49Å
319D98.3Very high96.7Very high46 Ų4655.8 Ų55.825%0.24630%0.297CS..Hα-helixtrans-64.3-43.1172.8-64.8-35.4000111.5T315 T316 L317 R322 E323T315-D319 HydrophobicContact CG2-CB 4.04Å; T316-D319 PolarHBondContact N-OD2 2.93Å; T316-D319 WeakPolarHBondContact O-CB 3.25Å; T316-D319 PolarHBondContact O-N 3.42Å; T316-D319 PolarHBondContact OG1-N 2.98Å; L317-D319 VanDerWaalsContact C-N 3.29Å; L317-D319 PolarHBondContact O-N 2.85Å; D319-R322 PolarHBondContact O-N 2.89Å; D319-R322 IonicContact OD1-CZ 3.4Å; D319-R322 VanDerWaalsContact OD1-CZ 3.3Å; D319-R322 IonicContact OD1-NH1 2.77Å; D319-R322 PolarHBondContact OD1-NH1 3.41Å; D319-R322 IonicContact OD1-NH2 2.92Å; D319-R322 PolarHBondContact OD1-NH2 2.78Å; D319-E323 WeakPolarHBondContact O-CB 3.27Å; D319-E323 PolarHBondContact O-N 2.8Å
320I97.9Very high96.7Very high0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-64.3-43.4175.1-59-50.3000111.2V274 R287 V289 T315 T316 L317 R322 E323 L324V274-I320 HydrophobicContact CG1-CD1 3.75Å; V274-I320 HydrophobicContact CG1-CG1 3.96Å; V274-I320 HydrophobicContact CG1-CG2 3.82Å; R287-I320 HydrophobicContact CB-CD1 3.65Å; R287-I320 HydrophobicContact CG-CD1 3.79Å; V289-I320 HydrophobicContact CG2-CD1 3.97Å; V289-I320 HydrophobicContact CG2-CG1 3.6Å; T315-I320 HydrophobicContact CG2-CD1 3.88Å; T315-I320 HydrophobicContact CG2-CG1 4.44Å; T316-I320 PolarHBondContact O-N 2.91Å; L317-I320 WeakPolarHBondContact O-CB 3.42Å; L317-I320 PolarHBondContact O-N 3Å; I320-R322 VanDerWaalsContact C-N 3.29Å; I320-R322 PolarHBondContact O-N 3.43Å; I320-E323 PolarHBondContact O-N 3.46Å; I320-L324 HydrophobicContact CG2-CD1 4.08Å; I320-L324 HydrophobicContact CG2-CG 4.38Å; I320-L324 WeakPolarHBondContact O-CB 3.34Å; I320-L324 VanDerWaalsContact O-CG 3.32Å; I320-L324 WeakPolarHBondContact O-CG 3.23Å; I320-L324 PolarHBondContact O-N 3.23Å
321Q98.1Very high96.8Very high23 Ų2354.2 Ų54.211%0.10729%0.292CS..Hα-helixtrans-60.4-40.1177.6-71.6173.8-12.300111.9V240 L317 E318 A325 M346 K347 V348V240-Q321 HydrophobicContact CG2-CB 3.87Å; V240-Q321 VanDerWaalsContact CG2-CD 3.43Å; V240-Q321 HydrophobicContact CG2-CG 3.73Å; L317-Q321 WeakPolarHBondContact O-CG 3.03Å; L317-Q321 PolarHBondContact O-N 2.83Å; E318-Q321 PolarHBondContact O-N 3.16Å; Q321-A325 PolarHBondContact O-N 2.96Å; Q321-A325 VanDerWaalsContact O-N 3.16Å; Q321-M346 PolarHBondContact NE2-O 3.34Å; Q321-K347 PolarHBondContact NE2-O 3.23Å; Q321-V348 HydrophobicContact CG-CG1 3.93Å
322R97.9Very high97Very high129 Ų12951 Ų5149%0.48727%0.265SS..Hα-helixtrans-67.3-46.8174.9-175.217365.4-104.41.2111.7E318 D319 I320 L324 A325 E326E318-R322 WeakPolarHBondContact O-CB 3.23Å; E318-R322 PolarHBondContact O-N 3.49Å; D319-R322 PolarHBondContact O-N 2.89Å; D319-R322 IonicContact OD1-CZ 3.4Å; D319-R322 VanDerWaalsContact OD1-CZ 3.3Å; D319-R322 IonicContact OD1-NH1 2.77Å; D319-R322 PolarHBondContact OD1-NH1 3.41Å; D319-R322 IonicContact OD1-NH2 2.92Å; D319-R322 PolarHBondContact OD1-NH2 2.78Å; I320-R322 VanDerWaalsContact C-N 3.29Å; I320-R322 PolarHBondContact O-N 3.43Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-L324 PolarHBondContact O-N 3.32Å; R322-A325 PolarHBondContact O-N 2.86Å; R322-A325 VanDerWaalsContact O-N 3.13Å; R322-E326 VanDerWaalsContact CG-OE1 3.32Å; R322-E326 WeakPolarHBondContact CG-OE1 3.15Å; R322-E326 WeakPolarHBondContact O-CG 3.33Å; R322-E326 PolarHBondContact O-N 3.09Å
323E97.4Very high97.3Very high44 Ų4443.5 Ų43.521%0.20623%0.226CC..Hα-helixtrans-60.5-40.6178.1-171.9168.9-168.900111.5F285 R287 D319 I320 E326 T327F285-E323 WeakPolarHBondContact CB-OE1 3.47Å; F285-E323 HydrophobicContact CD1-CG 4Å; F285-E323 HydrophobicContact CE1-CG 4.21Å; R287-E323 IonicContact CZ-OE1 3.69Å; R287-E323 IonicContact NE-OE1 2.68Å; R287-E323 PolarHBondContact NE-OE1 3.13Å; R287-E323 IonicContact NE-OE2 2.76Å; R287-E323 PolarHBondContact NE-OE2 3.16Å; R287-E323 IonicContact NH2-OE1 3.99Å; R287-E323 PolarHBondContact NH2-OE1 3.4Å; R287-E323 IonicContact NH2-OE2 2.99Å; D319-E323 WeakPolarHBondContact O-CB 3.27Å; D319-E323 PolarHBondContact O-N 2.8Å; I320-E323 PolarHBondContact O-N 3.46Å; E323-E326 PolarHBondContact O-N 2.99Å; E323-T327 WeakPolarHBondContact O-CB 3.32Å; E323-T327 PolarHBondContact O-N 2.79Å; E323-T327 PolarHBondContact O-OG1 3.47Å
324L97.4Very high97.4Very high1 Ų141.8 Ų41.81%0.00522%0.217CC..Hα-helixtrans-59.7-46.6172.5-76168.4000112M276 F285 I320 R322 E326 T327 L328 M346 V348M276-L324 HydrophobicContact SD-CD2 3.79Å; F285-L324 HydrophobicContact CE1-CD2 4.15Å; F285-L324 HydrophobicContact CZ-CD2 3.75Å; F285-L324 HydrophobicContact CZ-CG 4.18Å; I320-L324 HydrophobicContact CG2-CD1 4.08Å; I320-L324 HydrophobicContact CG2-CG 4.38Å; I320-L324 WeakPolarHBondContact O-CB 3.34Å; I320-L324 VanDerWaalsContact O-CG 3.32Å; I320-L324 WeakPolarHBondContact O-CG 3.23Å; I320-L324 PolarHBondContact O-N 3.23Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-L324 PolarHBondContact O-N 3.32Å; L324-E326 VanDerWaalsContact C-N 3.33Å; L324-E326 PolarHBondContact O-N 3.21Å; L324-T327 PolarHBondContact O-N 2.83Å; L324-L328 HydrophobicContact CB-CD1 4.39Å; L324-L328 HydrophobicContact CD2-CD1 4.08Å; L324-L328 VanDerWaalsContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CB 3.4Å; L324-L328 VanDerWaalsContact O-CG 3.32Å; L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3.16Å; L324-M346 HydrophobicContact CD1-SD 3.86Å; L324-V348 HydrophobicContact CD1-CG1 4.24Å
325A96.4Very high97.5Very high30 Ų3036.4 Ų36.425%0.24819%0.188CC..Hα-helixtrans-68-32.3-177.800000113.7T242 K243 Q321 R322T242-A325 WeakPolarHBondContact O-CA 3.27Å; T242-A325 WeakPolarHBondContact O-CB 3.43Å; K243-A325 WeakPolarHBondContact CD-O 3.32Å; K243-A325 PolarHBondContact NZ-O 2.81Å; Q321-A325 PolarHBondContact O-N 2.96Å; Q321-A325 VanDerWaalsContact O-N 3.16Å; R322-A325 PolarHBondContact O-N 2.86Å; R322-A325 VanDerWaalsContact O-N 3.13Å
326E96.8Very high97.5Very high144 Ų14434.3 Ų34.367%0.67318%0.176SC*.Hα-helixtrans-76.4-38175.4-71172.1-175.400111.9R322 E323 L324R322-E326 VanDerWaalsContact CG-OE1 3.32Å; R322-E326 WeakPolarHBondContact CG-OE1 3.15Å; R322-E326 WeakPolarHBondContact O-CG 3.33Å; R322-E326 PolarHBondContact O-N 3.09Å; E323-E326 PolarHBondContact O-N 2.99Å; L324-E326 VanDerWaalsContact C-N 3.33Å; L324-E326 PolarHBondContact O-N 3.21Å
327T95.2Very high97.5Very high45 Ų4533.4 Ų33.428%0.27617%0.168SC..Hα-helixtrans-83.3-39-173.8-53.50000113.3M276 M284 E323 L324M276-T327 HydrophobicContact CE-CG2 3.54Å; M284-T327 HydrophobicContact CE-CG2 3.73Å; E323-T327 WeakPolarHBondContact O-CB 3.32Å; E323-T327 PolarHBondContact O-N 2.79Å; E323-T327 PolarHBondContact O-OG1 3.47Å; L324-T327 PolarHBondContact O-N 2.83Å
328L97.4Very high97.4Very high2 Ų234 Ų341%0.0117%0.173CC..SBendtrans-78.6134.5-173.7-66.7171.7000112T242 K243 Y256 M276 L324 A332 L334T242-L328 HydrophobicContact CG2-CD1 4.5Å; K243-L328 HydrophobicContact CD-CB 4.42Å; K243-L328 VanDerWaalsContact CD-O 3.27Å; K243-L328 WeakPolarHBondContact CD-O 3.45Å; K243-L328 VanDerWaalsContact CE-O 3.23Å; K243-L328 WeakPolarHBondContact CE-O 3.43Å; K243-L328 PolarHBondContact NZ-O 2.98Å; Y256-L328 HydrophobicContact CD1-CD2 4.17Å; Y256-L328 HydrophobicContact CD2-CD2 3.58Å; Y256-L328 HydrophobicContact CE2-CD2 3.97Å; Y256-L328 HydrophobicContact CG-CD2 3.69Å; M276-L328 HydrophobicContact CE-CD2 4.22Å; M276-L328 HydrophobicContact SD-CD2 3.81Å; M276-L328 HydrophobicContact SD-CG 4.37Å; L324-L328 HydrophobicContact CB-CD1 4.39Å; L324-L328 HydrophobicContact CD2-CD1 4.08Å; L324-L328 VanDerWaalsContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CB 3.4Å; L324-L328 VanDerWaalsContact O-CG 3.32Å; L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3.16Å; L328-A332 HydrophobicContact CB-CB 4.11Å; L328-A332 HydrophobicContact CD2-CB 3.94Å; L328-L334 HydrophobicContact CD1-CD2 4.12Å; L328-L334 HydrophobicContact CD2-CD2 4.13Å
329P96.6Very high97.3Very high41 Ų4128.8 Ų28.827%0.26615%0.149SC..  trans-70.9165.7166.428.1-33000111.9P254 Y256 D331 A332P254-P329 HydrophobicContact CG-CG 3.47Å; P254-P329 VanDerWaalsContact CG-CG 3.47Å; Y256-P329 HydrophobicContact CE2-CG 4.03Å; Y256-P329 WeakPolarHBondContact OH-CD 3.19Å; P329-D331 VanDerWaalsContact C-N 3.26Å; P329-D331 PolarHBondContact O-N 3.3Å; P329-A332 HydrophobicContact CG-CB 3.96Å; P329-A332 WeakPolarHBondContact O-CB 3.45Å; P329-A332 PolarHBondContact O-N 3.4Å
330G95.7Very high97.2Very high10 Ų1026.7 Ų26.710%0.10314%0.139CC..THydrogen-bonded Turntrans-66.5-24-176.200000114.6Y246 L247Y246-G330 CarbonylContact C-O 3.59Å; Y246-G330 WeakPolarHBondContact CA-O 3.41Å; L247-G330 PolarHBondContact N-O 3.43Å
331D96.7Very high97.1Very high34 Ų3431.7 Ų31.718%0.18217%0.165CC..THydrogen-bonded Turntrans-106.618.9177.168.7-39.6000112.5L247 V249 S253 P329 I333L247-D331 HydrophobicContact CB-CB 4Å; V249-D331 HydrophobicContact CG1-CB 4.5Å; S253-D331 VanDerWaalsContact CB-O 3.31Å; S253-D331 WeakPolarHBondContact CB-O 3.36Å; S253-D331 WeakPolarHBondContact CB-OD2 3.39Å; S253-D331 PolarHBondContact OG-OD2 3.2Å; P329-D331 VanDerWaalsContact C-N 3.26Å; P329-D331 PolarHBondContact O-N 3.3Å; D331-I333 PolarHBondContact O-N 2.85Å
332A97.9Very high97.1Very high0 Ų030.9 Ų30.90%016%0.162CC..  trans-58.7138.1177.300000111.6Y256 L328 P329 H350 Y352Y256-A332 HydrophobicContact CD2-CB 3.9Å; Y256-A332 HydrophobicContact CE2-CB 3.84Å; L328-A332 HydrophobicContact CB-CB 4.11Å; L328-A332 HydrophobicContact CD2-CB 3.94Å; P329-A332 HydrophobicContact CG-CB 3.96Å; P329-A332 WeakPolarHBondContact O-CB 3.45Å; P329-A332 PolarHBondContact O-N 3.4Å; A332-H350 PolarHBondContact O-CE1 3.39Å; A332-H350 PolarHBondContact O-NE2 3.44Å; A332-Y352 WeakPolarHBondContact O-CD2 3.4Å
333I98.5Very high97.1Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-105.7117.5171.3-60.1172.1000108.6R204 V208 V249 P254 M255 Y256 D331 Y352 I354R204-I333 HydrophobicContact CG-CD1 4.18Å; V208-I333 HydrophobicContact CG2-CD1 4.32Å; V208-I333 HydrophobicContact CG2-CG2 4.32Å; V249-I333 HydrophobicContact CG1-CD1 4.36Å; V249-I333 HydrophobicContact CG1-CG1 3.91Å; P254-I333 PolarHBondContact O-N 3.04Å; M255-I333 CarbonylContact C-O 3.32Å; M255-I333 WeakPolarHBondContact CA-O 3.4Å; M255-I333 HydrophobicContact CG-CB 4.13Å; M255-I333 HydrophobicContact CG-CG2 4.4Å; Y256-I333 PolarHBondContact N-O 3.48Å; D331-I333 PolarHBondContact O-N 2.85Å; I333-Y352 CarbonylContact C-O 3.5Å; I333-Y352 WeakPolarHBondContact CA-O 3.47Å; I333-I354 HydrophobicContact CG2-CD1 3.66Å; I333-I354 HydrophobicContact CG2-CG1 3.71Å
334L98.7Very high97Very high1 Ų125.9 Ų25.91%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-80.2135.6172.9-66.5-173.8000111.3Y256 V258 L328 I339 L343 H350 Y352 V353 I354Y256-L334 CarbonylContact O-C 3.54Å; Y256-L334 WeakPolarHBondContact O-CA 3.44Å; V258-L334 HydrophobicContact CG1-CD2 4.23Å; L328-L334 HydrophobicContact CD1-CD2 4.12Å; L328-L334 HydrophobicContact CD2-CD2 4.13Å; L334-I339 HydrophobicContact CB-CD1 4.04Å; L334-L343 HydrophobicContact CD1-CD2 3.83Å; L334-H350 HydrophobicContact CD1-CB 3.7Å; L334-H350 VanDerWaalsContact CD1-CG 3.46Å; L334-H350 HydrophobicContact CG-CB 4.49Å; L334-H350 VanDerWaalsContact CG-CD2 3.47Å; L334-H350 WeakPolarHBondContact CG-CD2 3.36Å; L334-Y352 PolarHBondContact N-O 3.21Å; L334-V353 CarbonylContact O-C 3.6Å; L334-V353 WeakPolarHBondContact O-CA 3.18Å; L334-I354 PolarHBondContact O-N 3.06Å
335V98.7Very high97Very high0 Ų026.4 Ų26.40%015%0.148CC..EExtended strand (participates in β ladder)trans-117.7136.2179.1-171.30000109.4M255 Y256 A257 V258 I354 T400 M401 V404M255-V335 HydrophobicContact CB-CG2 3.98Å; M255-V335 HydrophobicContact CG-CG2 4.38Å; M255-V335 HydrophobicContact SD-CG2 4.32Å; Y256-V335 PolarHBondContact O-N 3.07Å; A257-V335 CarbonylContact C-O 3.56Å; A257-V335 VanDerWaalsContact CA-O 3.23Å; A257-V335 WeakPolarHBondContact CA-O 3.43Å; A257-V335 HydrophobicContact CB-CB 4.11Å; V258-V335 PolarHBondContact N-O 3.02Å; V335-I354 WeakPolarHBondContact CA-O 3.18Å; V335-I354 HydrophobicContact CG2-CB 4.35Å; V335-T400 HydrophobicContact CG1-CG2 3.83Å; V335-M401 HydrophobicContact CG2-CE 4.23Å; V335-V404 HydrophobicContact CG1-CB 4.28Å; V335-V404 HydrophobicContact CG1-CG2 3.36Å
336G98.2Very high97Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-156.9179178.500000113.1I354 D355 T356 T400G336-I354 PolarHBondContact N-O 3.08Å; G336-D355 CarbonylContact O-C 3.58Å; G336-D355 WeakPolarHBondContact O-CA 3.48Å; G336-T356 PolarHBondContact O-N 3.49Å; G336-T356 PolarHBondContact O-OG1 3.07Å; G336-T356 VanDerWaalsContact O-OG1 3.09Å; G336-T400 VanDerWaalsContact C-CG2 3.42Å
337H97.6Very high97Very high29 Ų2920.5 Ų20.513%0.13412%0.115CC..SBendtrans-121.3105.7171.9-172.286.3000110.4I339 T356 T370 L372H337-I339 VanDerWaalsContact C-N 3.29Å; H337-T356 WeakPolarHBondContact CA-OG1 3.2Å; H337-T356 VanDerWaalsContact CB-OG1 3.25Å; H337-T356 WeakPolarHBondContact CB-OG1 3.2Å; H337-T356 PolarHBondContact ND1-OG1 3.32Å; H337-T370 PolarHBondContact CE1-O 3.42Å; H337-T370 PolarHBondContact NE2-O 2.84Å; H337-T370 VanDerWaalsContact NE2-O 3.12Å; H337-L372 HydrophobicContact CB-CB 4.43Å; H337-L372 HydrophobicContact CB-CD1 4.13Å; H337-L372 HydrophobicContact CB-CD2 4.33Å; H337-L372 PolarHBondContact CE1-N 2.78Å; H337-L372 PolarHBondContact NE2-N 3.42Å; H337-L372 VanDerWaalsContact NE2-N 3.18Å
338S95.7Very high97.1Very high25 Ų2518.4 Ų18.418%0.17510%0.102CC..SBendtrans59.842-164.5-53.10000112.5G340 N341 D355 S357 K369S338-G340 PolarHBondContact O-N 3.04Å; S338-N341 PolarHBondContact O-N 3.12Å; S338-N341 VanDerWaalsContact O-N 3.17Å; S338-D355 WeakPolarHBondContact CA-OD2 3.02Å; S338-D355 PolarHBondContact N-OD1 3.48Å; S338-D355 PolarHBondContact N-OD2 3.12Å; S338-S357 PolarHBondContact N-OG 2.88Å; S338-S357 PolarHBondContact OG-OG 3.31Å; S338-K369 WeakPolarHBondContact OG-CD 3.45Å
339I97.1Very high97Very high0 Ų019.5 Ų19.50%011%0.107CC..THydrogen-bonded Turntrans-57.3-18-168.2-160.1-176.2000114.8V219 V258 L334 H337 N341 D342 L343 V353 D355V219-I339 HydrophobicContact CG2-CG2 4.49Å; V258-I339 HydrophobicContact CG2-CD1 3.88Å; V258-I339 HydrophobicContact CG2-CG1 4.05Å; L334-I339 HydrophobicContact CB-CD1 4.04Å; H337-I339 VanDerWaalsContact C-N 3.29Å; I339-N341 PolarHBondContact O-N 3.36Å; I339-D342 VanDerWaalsContact CA-OD2 3.3Å; I339-D342 WeakPolarHBondContact CA-OD2 3.46Å; I339-D342 HydrophobicContact CG1-CB 4.39Å; I339-D342 WeakPolarHBondContact O-CB 3.02Å; I339-D342 PolarHBondContact O-N 3.24Å; I339-D342 VanDerWaalsContact O-N 3.11Å; I339-L343 HydrophobicContact CD1-CD1 4.49Å; I339-L343 HydrophobicContact CG1-CD1 4.43Å; I339-L343 HydrophobicContact CG1-CG 4.18Å; I339-L343 WeakPolarHBondContact O-CG 3.49Å; I339-L343 PolarHBondContact O-N 3.19Å; I339-V353 HydrophobicContact CD1-CG1 3.9Å; I339-V353 HydrophobicContact CG2-CG1 3.33Å; I339-D355 HydrophobicContact CG2-CB 4.17Å; I339-D355 PolarHBondContact N-OD2 2.84Å
340G95.9Very high97.1Very high3 Ų317.9 Ų17.93%0.03110%0.095CC..Hα-helixtrans-55.4-34.7175.300000112.8S338 E344S338-G340 PolarHBondContact O-N 3.04Å; G340-E344 VanDerWaalsContact O-CB 3.26Å; G340-E344 WeakPolarHBondContact O-CB 3.41Å; G340-E344 PolarHBondContact O-N 2.67Å
341N95.2Very high97Very high104 Ų10419.5 Ų19.556%0.55610%0.104SC*.Hα-helixtrans-69.3-40.7176.7-66.4-30000112.1M262 S338 I339 E344 A345M262-N341 HydrophobicContact CE-CB 4Å; S338-N341 PolarHBondContact O-N 3.12Å; S338-N341 VanDerWaalsContact O-N 3.17Å; I339-N341 PolarHBondContact O-N 3.36Å; N341-E344 PolarHBondContact O-N 3.11Å; N341-A345 WeakPolarHBondContact O-CB 3.06Å; N341-A345 PolarHBondContact O-N 2.97Å
342D98.1Very high97Very high7 Ų720 Ų204%0.03710%0.104CC..Hα-helixtrans-65.1-47178.3-53.7-93.6000111.1C260 I339 E344 A345 M346C260-D342 HydrophobicContact CB-CB 4.36Å; C260-D342 PolarHBondContact N-OD1 3.24Å; I339-D342 VanDerWaalsContact CA-OD2 3.3Å; I339-D342 WeakPolarHBondContact CA-OD2 3.46Å; I339-D342 HydrophobicContact CG1-CB 4.39Å; I339-D342 WeakPolarHBondContact O-CB 3.02Å; I339-D342 PolarHBondContact O-N 3.24Å; I339-D342 VanDerWaalsContact O-N 3.11Å; D342-E344 VanDerWaalsContact C-N 3.31Å; D342-E344 PolarHBondContact O-N 3.43Å; D342-A345 PolarHBondContact O-N 3.35Å; D342-M346 HydrophobicContact CB-CE 4.45Å; D342-M346 WeakPolarHBondContact O-CG 3.03Å; D342-M346 PolarHBondContact O-N 2.7Å
343L97.9Very high97.1Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-66.7-33.2177.3-60.9177000112.2V219 P220 L334 I339 M346 K347 V348 V353V219-L343 HydrophobicContact CG1-CD1 3.88Å; P220-L343 HydrophobicContact CG-CB 3.75Å; L334-L343 HydrophobicContact CD1-CD2 3.83Å; I339-L343 HydrophobicContact CD1-CD1 4.49Å; I339-L343 HydrophobicContact CG1-CD1 4.43Å; I339-L343 HydrophobicContact CG1-CG 4.18Å; I339-L343 WeakPolarHBondContact O-CG 3.49Å; I339-L343 PolarHBondContact O-N 3.19Å; L343-M346 HydrophobicContact CD2-CE 3.84Å; L343-K347 WeakPolarHBondContact O-CA 3.36Å; L343-K347 PolarHBondContact O-N 3.19Å; L343-V348 HydrophobicContact CB-CG2 4.44Å; L343-V348 HydrophobicContact CD2-CG2 3.75Å; L343-V348 PolarHBondContact O-N 2.99Å; L343-V353 HydrophobicContact CD1-CG2 4.16Å
344E95.5Very high97Very high68 Ų6820 Ų2032%0.31810%0.104SC..Hα-helixtrans-67.8-42172.7-17480.3-165.700110.9P220 R236 F239 G340 N341 D342 K347P220-E344 HydrophobicContact CG-CB 4.36Å; R236-E344 IonicContact CZ-OE2 3.31Å; R236-E344 IonicContact NE-OE2 2.7Å; R236-E344 PolarHBondContact NE-OE2 3.34Å; R236-E344 IonicContact NH2-OE2 2.63Å; R236-E344 PolarHBondContact NH2-OE2 2.87Å; F239-E344 HydrophobicContact CZ-CG 4.32Å; F239-E344 WeakPolarHBondContact CZ-OE2 3.38Å; G340-E344 VanDerWaalsContact O-CB 3.26Å; G340-E344 WeakPolarHBondContact O-CB 3.41Å; G340-E344 PolarHBondContact O-N 2.67Å; N341-E344 PolarHBondContact O-N 3.11Å; D342-E344 VanDerWaalsContact C-N 3.31Å; D342-E344 PolarHBondContact O-N 3.43Å; E344-K347 WeakPolarHBondContact O-CG 3.39Å; E344-K347 PolarHBondContact O-N 3.02Å; E344-K347 VanDerWaalsContact O-N 3.16Å
345A96.4Very high97Very high12 Ų1220 Ų2010%0.09910%0.104CC..Hα-helixtrans-65.1-39.9176.900000112.3M262 L271 N341 D342 K347M262-A345 HydrophobicContact CE-CB 3.99Å; M262-A345 HydrophobicContact CG-CB 4Å; L271-A345 HydrophobicContact CB-CB 4.26Å; L271-A345 HydrophobicContact CD1-CB 4.23Å; N341-A345 WeakPolarHBondContact O-CB 3.06Å; N341-A345 PolarHBondContact O-N 2.97Å; D342-A345 PolarHBondContact O-N 3.35Å; A345-K347 VanDerWaalsContact C-N 3.26Å; A345-K347 PolarHBondContact O-N 3.42Å
346M97.7Very high96.9Very high1 Ų120 Ų201%0.00510%0.104CC..Hα-helixtrans-76.4-12.1174.4-68.8-173.3-68.300113.6V258 L271 V274 L317 Q321 L324 D342 L343 V348V258-M346 HydrophobicContact CB-CE 4.49Å; V258-M346 HydrophobicContact CG2-CE 4.31Å; L271-M346 HydrophobicContact CD2-CG 4.03Å; V274-M346 HydrophobicContact CG2-CG 4.5Å; V274-M346 HydrophobicContact CG2-SD 3.73Å; L317-M346 WeakPolarHBondContact CD1-O 2.98Å; Q321-M346 PolarHBondContact NE2-O 3.34Å; L324-M346 HydrophobicContact CD1-SD 3.86Å; D342-M346 HydrophobicContact CB-CE 4.45Å; D342-M346 WeakPolarHBondContact O-CG 3.03Å; D342-M346 PolarHBondContact O-N 2.7Å; L343-M346 HydrophobicContact CD2-CE 3.84Å; M346-V348 HydrophobicContact CB-CG1 4.26Å; M346-V348 HydrophobicContact CB-CG2 3.94Å; M346-V348 HydrophobicContact CE-CG2 4.28Å; M346-V348 PolarHBondContact O-N 3.16Å
347K96.4Very high96.8Very high48 Ų4820.4 Ų20.421%0.20911%0.107CC..THydrogen-bonded Turntrans50.451.7-172.6-55-172.7-174.3-177.90112.6D238 F239 V240 L317 Q321 L343 E344 A345D238-K347 HydrophobicContact CB-CD 4.25Å; D238-K347 VanDerWaalsContact OD2-CD 3.25Å; D238-K347 WeakPolarHBondContact OD2-CD 3.43Å; D238-K347 VanDerWaalsContact OD2-CE 3.27Å; D238-K347 WeakPolarHBondContact OD2-CE 2.85Å; D238-K347 IonicContact OD2-NZ 2.85Å; D238-K347 PolarHBondContact OD2-NZ 3.05Å; F239-K347 WeakPolarHBondContact CA-O 3.33Å; F239-K347 VanDerWaalsContact CD1-C 3.42Å; F239-K347 HydrophobicContact CD1-CB 4.3Å; F239-K347 HydrophobicContact CD2-CB 4Å; F239-K347 HydrophobicContact CD2-CG 4.4Å; F239-K347 HydrophobicContact CE1-CB 4.37Å; F239-K347 HydrophobicContact CE2-CB 4.08Å; F239-K347 HydrophobicContact CE2-CG 4.06Å; F239-K347 HydrophobicContact CG-CB 4.1Å; F239-K347 HydrophobicContact CZ-CB 4.25Å; F239-K347 HydrophobicContact CZ-CG 4.27Å; V240-K347 PolarHBondContact N-O 3.46Å; L317-K347 HydrophobicContact CD2-CB 4.16Å; L317-K347 HydrophobicContact CD2-CD 3.56Å; L317-K347 HydrophobicContact CD2-CG 3.79Å; Q321-K347 PolarHBondContact NE2-O 3.23Å; L343-K347 WeakPolarHBondContact O-CA 3.36Å; L343-K347 PolarHBondContact O-N 3.19Å; E344-K347 WeakPolarHBondContact O-CG 3.39Å; E344-K347 PolarHBondContact O-N 3.02Å; E344-K347 VanDerWaalsContact O-N 3.16Å; A345-K347 VanDerWaalsContact C-N 3.26Å; A345-K347 PolarHBondContact O-N 3.42Å
348V97.3Very high96.5Very high1 Ų119.6 Ų19.61%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-123.2149.6179.8-62.70000113.2V240 T242 Q321 L324 L343 M346V240-V348 HydrophobicContact CG2-CG1 4.16Å; V240-V348 CarbonylContact O-C 3.05Å; V240-V348 WeakPolarHBondContact O-CA 3.26Å; T242-V348 HydrophobicContact CG2-CB 3.76Å; T242-V348 HydrophobicContact CG2-CG1 4.26Å; T242-V348 HydrophobicContact CG2-CG2 3.86Å; Q321-V348 HydrophobicContact CG-CG1 3.93Å; L324-V348 HydrophobicContact CD1-CG1 4.24Å; L343-V348 HydrophobicContact CB-CG2 4.44Å; L343-V348 HydrophobicContact CD2-CG2 3.75Å; L343-V348 PolarHBondContact O-N 2.99Å; M346-V348 HydrophobicContact CB-CG1 4.26Å; M346-V348 HydrophobicContact CB-CG2 3.94Å; M346-V348 HydrophobicContact CE-CG2 4.28Å; M346-V348 PolarHBondContact O-N 3.16Å
349F95.6Very high96.4Very high26 Ų2619.1 Ų19.111%0.11410%0.099CC..EExtended strand (participates in β ladder)trans-101.1129.7165.8-58.4-57.2000110P220 L221 P222 R236 F239 V240 P241 T242 Y246P220-F349 HydrophobicContact CB-CD1 3.78Å; P220-F349 HydrophobicContact CB-CE1 3.89Å; L221-F349 WeakPolarHBondContact O-CE1 3.43Å; P222-F349 HydrophobicContact CG-CD1 4.31Å; P222-F349 HydrophobicContact CG-CD2 4.07Å; P222-F349 HydrophobicContact CG-CE2 4.3Å; P222-F349 HydrophobicContact CG-CG 4.06Å; R236-F349 HydrophobicContact CB-CZ 3.97Å; F239-F349 HydrophobicContact CB-CD2 3.91Å; F239-F349 HydrophobicContact CB-CE1 3.95Å; F239-F349 HydrophobicContact CB-CE2 3.28Å; F239-F349 HydrophobicContact CB-CG 4.49Å; F239-F349 HydrophobicContact CB-CZ 3.31Å; F239-F349 HydrophobicContact CD1-CD1 4.18Å; F239-F349 AromaticContact CD1-CE1 3.77Å; F239-F349 HydrophobicContact CD1-CE1 3.77Å; F239-F349 HydrophobicContact CD1-CZ 4.01Å; F239-F349 HydrophobicContact CG-CE1 4.09Å; F239-F349 HydrophobicContact CG-CE2 4.28Å; F239-F349 AromaticContact CG-CZ 3.84Å; F239-F349 HydrophobicContact CG-CZ 3.84Å; V240-F349 PolarHBondContact O-N 3.48Å; P241-F349 WeakPolarHBondContact CA-O 3.28Å; T242-F349 PolarHBondContact N-O 2.87Å; T242-F349 PolarHBondContact OG1-O 2.91Å; Y246-F349 PolarHBondContact OH-O 3.41Å
350H97.1Very high95.9Very high6 Ų619.1 Ų19.13%0.02810%0.099CC..  trans-140.6128.1174-171.280000110.3M214 T242 Y246 A332 L334 Y352M214-H350 WeakPolarHBondContact CE-O 3.26Å; T242-H350 HydrophobicContact CG2-CB 3.96Å; T242-H350 PolarHBondContact OG1-ND1 2.69Å; Y246-H350 AromaticContact CE1-ND1 3.88Å; A332-H350 PolarHBondContact O-CE1 3.39Å; A332-H350 PolarHBondContact O-NE2 3.44Å; L334-H350 HydrophobicContact CD1-CB 3.7Å; L334-H350 VanDerWaalsContact CD1-CG 3.46Å; L334-H350 HydrophobicContact CG-CB 4.49Å; L334-H350 VanDerWaalsContact CG-CD2 3.47Å; L334-H350 WeakPolarHBondContact CG-CD2 3.36Å; H350-Y352 PolarHBondContact CD2-N 2.63Å; H350-Y352 PolarHBondContact CD2-O 3.33Å; H350-Y352 PolarHBondContact NE2-O 2.82Å; H350-Y352 VanDerWaalsContact NE2-O 3.09Å
351P94.5Very high95.2Very high45 Ų4519.3 Ų19.329%0.29210%0.099SC..SBendtrans-83.7-23.5-171.231.4-34.6000114.4Y246Y246-P351 HydrophobicContact CD1-CG 3.59Å; Y246-P351 HydrophobicContact CD2-CG 4.1Å; Y246-P351 HydrophobicContact CE1-CG 3.74Å; Y246-P351 HydrophobicContact CE2-CG 4.23Å; Y246-P351 HydrophobicContact CG-CG 3.78Å; Y246-P351 VanDerWaalsContact CZ-CD 3.44Å
352Y97.8Very high94.4Very high45 Ų4516 Ų1618%0.1768%0.082CC..  trans-109.791.3-172.1-49.7-51.2000110.8Y246 L247 V249 A332 I333 L334 H350Y246-Y352 HydrophobicContact CD1-CE2 4.17Å; Y246-Y352 HydrophobicContact CG-CE2 4.48Å; L247-Y352 VanDerWaalsContact O-CE2 3.3Å; L247-Y352 WeakPolarHBondContact O-CE2 3.47Å; L247-Y352 PolarHBondContact O-OH 2.83Å; L247-Y352 VanDerWaalsContact O-OH 3.04Å; V249-Y352 HydrophobicContact CG1-CD1 3.64Å; V249-Y352 HydrophobicContact CG1-CD2 3.39Å; V249-Y352 HydrophobicContact CG1-CE1 3.96Å; V249-Y352 HydrophobicContact CG1-CE2 3.72Å; V249-Y352 HydrophobicContact CG1-CG 3.35Å; V249-Y352 HydrophobicContact CG2-CD1 4.08Å; V249-Y352 HydrophobicContact CG2-CE1 4.17Å; A332-Y352 WeakPolarHBondContact O-CD2 3.4Å; I333-Y352 CarbonylContact C-O 3.5Å; I333-Y352 WeakPolarHBondContact CA-O 3.47Å; L334-Y352 PolarHBondContact N-O 3.21Å; H350-Y352 PolarHBondContact CD2-N 2.63Å; H350-Y352 PolarHBondContact CD2-O 3.33Å; H350-Y352 PolarHBondContact NE2-O 2.82Å; H350-Y352 VanDerWaalsContact NE2-O 3.09Å
353V98.3Very high93.2Very high0 Ų021.8 Ų21.80%011%0.106CC..EExtended strand (participates in β ladder)trans-122.6130.8-171175.40000111.2V208 L209 L334 I339 L343V208-V353 CarbonylContact C-O 3.38Å; V208-V353 WeakPolarHBondContact CA-O 3.18Å; L209-V353 HydrophobicContact CD1-CG1 4.11Å; L209-V353 WeakPolarHBondContact CG-O 3.46Å; L209-V353 PolarHBondContact N-O 3.47Å; L334-V353 CarbonylContact O-C 3.6Å; L334-V353 WeakPolarHBondContact O-CA 3.18Å; I339-V353 HydrophobicContact CD1-CG1 3.9Å; I339-V353 HydrophobicContact CG2-CG1 3.33Å; L343-V353 HydrophobicContact CD1-CG2 4.16Å
354I98.3Very high91.5Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-110.3121.7166-62173.9000108.3L207 V208 M255 I333 L334 V335 G336 I359 V404L207-I354 HydrophobicContact CB-CD1 3.81Å; L207-I354 HydrophobicContact CB-CG1 3.91Å; L207-I354 HydrophobicContact CB-CG2 4.12Å; L207-I354 HydrophobicContact CD1-CD1 4.47Å; V208-I354 HydrophobicContact CG2-CG1 4.18Å; M255-I354 HydrophobicContact SD-CD1 4.08Å; I333-I354 HydrophobicContact CG2-CD1 3.66Å; I333-I354 HydrophobicContact CG2-CG1 3.71Å; L334-I354 PolarHBondContact O-N 3.06Å; V335-I354 WeakPolarHBondContact CA-O 3.18Å; V335-I354 HydrophobicContact CG2-CB 4.35Å; G336-I354 PolarHBondContact N-O 3.08Å; I354-I359 HydrophobicContact CG2-CD1 3.91Å; I354-I359 HydrophobicContact CG2-CG2 4.36Å; I354-V404 HydrophobicContact CD1-CG1 4.39Å; I354-V404 HydrophobicContact CG2-CG2 3.83Å
355D98.1Very high90.4Very high0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans-110.8113.7178.1-172.2-28.4000110.5L209 G336 S338 I339 S357 V358 I359 K369L209-D355 HydrophobicContact CD1-CB 4.09Å; G336-D355 CarbonylContact O-C 3.58Å; G336-D355 WeakPolarHBondContact O-CA 3.48Å; S338-D355 WeakPolarHBondContact CA-OD2 3.02Å; S338-D355 PolarHBondContact N-OD1 3.48Å; S338-D355 PolarHBondContact N-OD2 3.12Å; I339-D355 HydrophobicContact CG2-CB 4.17Å; I339-D355 PolarHBondContact N-OD2 2.84Å; D355-S357 PolarHBondContact O-N 2.95Å; D355-S357 WeakPolarHBondContact OD1-CA 3.29Å; D355-S357 WeakPolarHBondContact OD1-CB 3.35Å; D355-S357 PolarHBondContact OD1-N 3.17Å; D355-S357 PolarHBondContact OD1-OG 3.2Å; D355-S357 PolarHBondContact OD2-OG 3.42Å; D355-V358 HydrophobicContact CB-CB 4.25Å; D355-V358 HydrophobicContact CB-CG2 3.83Å; D355-V358 WeakPolarHBondContact O-CA 3.18Å; D355-V358 WeakPolarHBondContact O-CB 3.3Å; D355-V358 PolarHBondContact O-N 2.92Å; D355-I359 WeakPolarHBondContact O-CG1 3.4Å; D355-I359 PolarHBondContact O-N 3.05Å; D355-K369 IonicContact OD2-NZ 3.5Å
356T97.3Very high89.1Confident0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-60.6-27.2179.256.70000113G336 H337 V358 I359 Y360 T400 L403 V404G336-T356 PolarHBondContact O-N 3.49Å; G336-T356 PolarHBondContact O-OG1 3.07Å; G336-T356 VanDerWaalsContact O-OG1 3.09Å; H337-T356 WeakPolarHBondContact CA-OG1 3.2Å; H337-T356 VanDerWaalsContact CB-OG1 3.25Å; H337-T356 WeakPolarHBondContact CB-OG1 3.2Å; H337-T356 PolarHBondContact ND1-OG1 3.32Å; T356-V358 PolarHBondContact O-N 3.37Å; T356-I359 HydrophobicContact CG2-CD1 4.36Å; T356-Y360 WeakPolarHBondContact O-CB 2.95Å; T356-Y360 PolarHBondContact O-N 2.91Å; T356-Y360 VanDerWaalsContact O-N 3.17Å; T356-T400 HydrophobicContact CG2-CG2 3.76Å; T356-L403 HydrophobicContact CG2-CB 4.09Å; T356-V404 HydrophobicContact CG2-CG2 3.71Å
357S94.4Very high87.8Confident8 Ų831.9 Ų31.96%0.05617%0.17CC..Hα-helixtrans-68.9-16.9173.6780000113.3S338 D355 K369S338-S357 PolarHBondContact N-OG 2.88Å; S338-S357 PolarHBondContact OG-OG 3.31Å; D355-S357 PolarHBondContact O-N 2.95Å; D355-S357 WeakPolarHBondContact OD1-CA 3.29Å; D355-S357 WeakPolarHBondContact OD1-CB 3.35Å; D355-S357 PolarHBondContact OD1-N 3.17Å; D355-S357 PolarHBondContact OD1-OG 3.2Å; D355-S357 PolarHBondContact OD2-OG 3.42Å; S357-K369 WeakPolarHBondContact OG-CD 3.46Å; S357-K369 PolarHBondContact OG-NZ 3.2Å
358V91.8Very high86.6Confident13 Ų1331.1 Ų31.18%0.07917%0.173CC..Hα-helixtrans-99.5-45.7178.9-179.70000111.7L209 E217 D355 T356 Y360L209-V358 HydrophobicContact CD2-CB 4.19Å; L209-V358 HydrophobicContact CD2-CG1 3.87Å; L209-V358 HydrophobicContact CD2-CG2 4.27Å; E217-V358 HydrophobicContact CG-CG2 3.68Å; D355-V358 HydrophobicContact CB-CB 4.25Å; D355-V358 HydrophobicContact CB-CG2 3.83Å; D355-V358 WeakPolarHBondContact O-CA 3.18Å; D355-V358 WeakPolarHBondContact O-CB 3.3Å; D355-V358 PolarHBondContact O-N 2.92Å; T356-V358 PolarHBondContact O-N 3.37Å; V358-Y360 VanDerWaalsContact C-N 3.31Å
359I93.4Very high86Confident15 Ų1534 Ų348%0.07719%0.186CC..Hα-helixtrans-76.5-18.7-176.560159.4000113.2L207 I354 D355 T356 V404 K407L207-I359 HydrophobicContact CB-CG2 4.29Å; L207-I359 HydrophobicContact CD1-CD1 4.43Å; L207-I359 HydrophobicContact CD2-CG2 4.14Å; I354-I359 HydrophobicContact CG2-CD1 3.91Å; I354-I359 HydrophobicContact CG2-CG2 4.36Å; D355-I359 WeakPolarHBondContact O-CG1 3.4Å; D355-I359 PolarHBondContact O-N 3.05Å; T356-I359 HydrophobicContact CG2-CD1 4.36Å; I359-V404 HydrophobicContact CD1-CG2 3.91Å; I359-K407 HydrophobicContact CB-CD 4.02Å; I359-K407 HydrophobicContact CD1-CD 3.71Å; I359-K407 HydrophobicContact CG1-CD 4.25Å; I359-K407 PolarHBondContact O-NZ 3.47Å
360Y86.3Confident85.5Confident0 Ų033.3 Ų33.30%018%0.184CC..  trans-106.694.4167.6-73.7-89.9000110.5T356 V358 L375 F379 L403 K407 F414 G415T356-Y360 WeakPolarHBondContact O-CB 2.95Å; T356-Y360 PolarHBondContact O-N 2.91Å; T356-Y360 VanDerWaalsContact O-N 3.17Å; V358-Y360 VanDerWaalsContact C-N 3.31Å; Y360-L375 HydrophobicContact CD1-CD2 4.29Å; Y360-L375 HydrophobicContact CD2-CD1 4.43Å; Y360-L375 HydrophobicContact CG-CD1 4.2Å; Y360-L375 HydrophobicContact CG-CD2 4.17Å; Y360-F379 HydrophobicContact CD1-CD1 4.37Å; Y360-F379 HydrophobicContact CD1-CD2 4.19Å; Y360-F379 AromaticContact CD1-CE1 3.97Å; Y360-F379 HydrophobicContact CD1-CE1 3.97Å; Y360-F379 AromaticContact CD1-CE2 3.79Å; Y360-F379 HydrophobicContact CD1-CE2 3.79Å; Y360-F379 HydrophobicContact CD1-CG 4.46Å; Y360-F379 AromaticContact CD1-CZ 3.66Å; Y360-F379 HydrophobicContact CD1-CZ 3.66Å; Y360-F379 AromaticContact CE1-CD1 3.67Å; Y360-F379 HydrophobicContact CE1-CD1 3.67Å; Y360-F379 HydrophobicContact CE1-CD2 4.12Å; Y360-F379 AromaticContact CE1-CE1 3.57Å; Y360-F379 HydrophobicContact CE1-CE1 3.57Å; Y360-F379 HydrophobicContact CE1-CE2 4.05Å; Y360-F379 AromaticContact CE1-CG 3.93Å; Y360-F379 HydrophobicContact CE1-CG 3.93Å; Y360-F379 AromaticContact CE1-CZ 3.77Å; Y360-F379 HydrophobicContact CE1-CZ 3.77Å; Y360-L403 HydrophobicContact CE1-CD2 4.43Å; Y360-L403 HydrophobicContact CE2-CB 3.79Å; Y360-L403 HydrophobicContact CE2-CD2 4.13Å; Y360-L403 HydrophobicContact CE2-CG 4.47Å; Y360-L403 WeakPolarHBondContact CE2-O 3.43Å; Y360-L403 PolarHBondContact OH-O 3.44Å; Y360-K407 HydrophobicContact CE2-CB 4.38Å; Y360-F414 HydrophobicContact CE1-CD1 4.03Å; Y360-F414 AromaticContact CE1-CE1 3.93Å; Y360-F414 HydrophobicContact CE1-CE1 3.93Å; Y360-G415 CarbonylContact C-O 3.52Å; Y360-G415 WeakPolarHBondContact CA-O 3.18Å
361N82Confident85.1Confident6 Ų643 Ų433%0.03222%0.22CC..  trans-107.295.6179.2178.91.3000109.9K363 G364 G415 V417 T418N361-K363 PolarHBondContact OD1-N 2.58Å; N361-G364 WeakPolarHBondContact OD1-CA 3.17Å; N361-G364 PolarHBondContact OD1-N 3.3Å; N361-G415 PolarHBondContact N-O 3.14Å; N361-V417 WeakPolarHBondContact O-CG2 3.28Å; N361-V417 PolarHBondContact O-N 3.01Å; N361-T418 WeakPolarHBondContact ND2-CG2 3.37Å
362L78.1Confident85.1Confident35 Ų3541.4 Ų41.418%0.18321%0.209CC..SBendtrans-92.5-11.5179.9-54-174.5000114T370 F374 L375 F379 G415 V417 W421 F423L362-T370 HydrophobicContact CD1-CG2 3.93Å; L362-F374 HydrophobicContact CD1-CD1 3.86Å; L362-F374 HydrophobicContact CD1-CE1 3.43Å; L362-F374 VanDerWaalsContact CD1-CE1 3.43Å; L362-L375 HydrophobicContact CD1-CD2 3.9Å; L362-L375 HydrophobicContact CG-CD2 4.33Å; L362-F379 HydrophobicContact CD1-CE2 4.08Å; L362-F379 HydrophobicContact CD2-CE2 4.14Å; L362-F379 HydrophobicContact CD2-CZ 3.96Å; L362-G415 WeakPolarHBondContact CD2-O 3.17Å; L362-V417 HydrophobicContact CD2-CG1 4.38Å; L362-W421 HydrophobicContact CD2-CZ3 3.94Å; L362-F423 HydrophobicContact CD1-CE2 4.33Å; L362-F423 HydrophobicContact CD2-CE2 4.4Å
363K72.3Confident84.7Confident128 Ų12844.5 Ų44.556%0.55722%0.22SC*.SBendtrans-98.4-5.6-175.8-66-177.5180168.20112.7N361 N365 A368 K369N361-K363 PolarHBondContact OD1-N 2.58Å; K363-N365 PolarHBondContact O-N 3.33Å; K363-A368 HydrophobicContact CB-CB 4.04Å; K363-A368 HydrophobicContact CD-CB 3.47Å; K363-A368 VanDerWaalsContact CD-CB 3.47Å; K363-A368 HydrophobicContact CG-CB 4.39Å; K363-K369 PolarHBondContact NZ-O 3.36Å
364G63.9Low84.1Confident33 Ų3348.4 Ų48.434%0.3424%0.237SC..SBendtrans71.1-22-175.500000114N361 V417 T418N361-G364 WeakPolarHBondContact OD1-CA 3.17Å; N361-G364 PolarHBondContact OD1-N 3.3Å; G364-V417 VanDerWaalsContact N-CG2 3.3Å; G364-T418 VanDerWaalsContact O-CG2 3.24Å; G364-T418 WeakPolarHBondContact O-CG2 3.5Å
365N70.6Confident83.7Confident92 Ų9248.4 Ų48.449%0.49224%0.237SC..  trans-98.9115.9172.5179.43.8000110.6K363 A367 A368K363-N365 PolarHBondContact O-N 3.33Å; N365-A367 PolarHBondContact O-N 3.21Å; N365-A367 VanDerWaalsContact O-N 3.07Å; N365-A367 WeakPolarHBondContact OD1-CB 3.44Å; N365-A367 PolarHBondContact OD1-N 3.24Å; N365-A368 HydrophobicContact CB-CB 4.37Å; N365-A368 PolarHBondContact O-N 2.54Å
366R69Low83Confident100 Ų10048.4 Ų48.438%0.37724%0.237SC..THydrogen-bonded Turntrans-62.4-12.9177.2-68.4-176.4179.8-109.5-3.7114.7K216 D416K216-R366 VanDerWaalsContact NZ-CB 3.33Å; R366-D416 IonicContact NH2-OD2 2.69Å
367A70.9Confident82.5Confident68 Ų6851.8 Ų51.856%0.56225%0.253SS*.THydrogen-bonded Turntrans-81.8-18.2171.900000112.7N365N365-A367 PolarHBondContact O-N 3.21Å; N365-A367 VanDerWaalsContact O-N 3.07Å; N365-A367 WeakPolarHBondContact OD1-CB 3.44Å; N365-A367 PolarHBondContact OD1-N 3.24Å
368A72Confident81.9Confident32 Ų3252.8 Ų52.826%0.26426%0.257SS..SBendtrans-103.1102.9-177.400000109.6K363 N365K363-A368 HydrophobicContact CB-CB 4.04Å; K363-A368 HydrophobicContact CD-CB 3.47Å; K363-A368 VanDerWaalsContact CD-CB 3.47Å; K363-A368 HydrophobicContact CG-CB 4.39Å; N365-A368 HydrophobicContact CB-CB 4.37Å; N365-A368 PolarHBondContact O-N 2.54Å
369K84.2Confident81.5Confident63 Ų6352.2 Ų52.227%0.27425%0.253SS..PPolyproline II helixtrans-79.8143.5-179-59.9-177.3175.9-1510111.7E217 S338 D355 S357 K363E217-K369 WeakPolarHBondContact OE2-CE 3.25Å; E217-K369 IonicContact OE2-NZ 3.53Å; E217-K369 PolarHBondContact OE2-NZ 3.02Å; S338-K369 WeakPolarHBondContact OG-CD 3.45Å; D355-K369 IonicContact OD2-NZ 3.5Å; S357-K369 WeakPolarHBondContact OG-CD 3.46Å; S357-K369 PolarHBondContact OG-NZ 3.2Å; K363-K369 PolarHBondContact NZ-O 3.36Å
370T84.6Confident81.1Confident11 Ų1151.8 Ų51.87%0.06725%0.251CS..PPolyproline II helixtrans-87.1139.5168.5-57.60000108.5H337 L362 F374 L375H337-T370 PolarHBondContact CE1-O 3.42Å; H337-T370 PolarHBondContact NE2-O 2.84Å; H337-T370 VanDerWaalsContact NE2-O 3.12Å; L362-T370 HydrophobicContact CD1-CG2 3.93Å; T370-F374 HydrophobicContact CG2-CB 3.94Å; T370-F374 HydrophobicContact CG2-CD1 3.46Å; T370-F374 VanDerWaalsContact CG2-CD1 3.46Å; T370-F374 HydrophobicContact CG2-CE1 4.28Å; T370-F374 HydrophobicContact CG2-CG 3.92Å; T370-L375 HydrophobicContact CG2-CD2 3.64Å; T370-L375 HydrophobicContact CG2-CG 3.9Å
371R89.8Confident80.8Confident210 Ų21053.8 Ų53.879%0.79227%0.272SS*.PPolyproline II helixtrans-68.8143.8179.9-64.3179.9178169-1.6111.1R373 F374 L375R371-R373 VanDerWaalsContact C-N 3.33Å; R371-R373 PolarHBondContact O-N 3.25Å; R371-F374 WeakPolarHBondContact O-CB 3.29Å; R371-F374 PolarHBondContact O-N 3.29Å; R371-L375 PolarHBondContact O-N 3.04Å; R371-L375 VanDerWaalsContact O-N 3.16Å
372L94.8Very high80.9Confident10 Ų1058.1 Ų58.15%0.05229%0.288CS..Hα-helixtrans-52.9-46.7177-175.160.9000112.7H337 F374 L375 S376 I384 D396 L403H337-L372 HydrophobicContact CB-CB 4.43Å; H337-L372 HydrophobicContact CB-CD1 4.13Å; H337-L372 HydrophobicContact CB-CD2 4.33Å; H337-L372 PolarHBondContact CE1-N 2.78Å; H337-L372 PolarHBondContact NE2-N 3.42Å; H337-L372 VanDerWaalsContact NE2-N 3.18Å; L372-F374 PolarHBondContact O-N 3.44Å; L372-L375 PolarHBondContact O-N 3.12Å; L372-S376 WeakPolarHBondContact O-CB 3.41Å; L372-S376 PolarHBondContact O-N 3.49Å; L372-I384 HydrophobicContact CD2-CD1 3.99Å; L372-I384 HydrophobicContact CG-CD1 3.74Å; L372-D396 HydrophobicContact CD2-CB 3.83Å; L372-L403 HydrophobicContact CD1-CD1 3.64Å
373R88.9Confident81.2Confident110 Ų11061.2 Ų61.242%0.41530%0.303SS..Hα-helixtrans-52.3-42.1176.1-180174.4170.1178.6-0.1113.1R371 E377 I384R371-R373 VanDerWaalsContact C-N 3.33Å; R371-R373 PolarHBondContact O-N 3.25Å; R373-E377 VanDerWaalsContact O-CB 3.31Å; R373-E377 WeakPolarHBondContact O-CB 3.39Å; R373-E377 PolarHBondContact O-N 3.3Å; R373-I384 HydrophobicContact CB-CG1 4.27Å; R373-I384 HydrophobicContact CG-CG1 4.46Å
374F86.5Confident81.8Confident82 Ų8255.4 Ų55.436%0.3628%0.278SS..Hα-helixtrans-66.6-44.9177.4-175.9-79.4000110.8L362 T370 R371 L372 E377 H378L362-F374 HydrophobicContact CD1-CD1 3.86Å; L362-F374 HydrophobicContact CD1-CE1 3.43Å; L362-F374 VanDerWaalsContact CD1-CE1 3.43Å; T370-F374 HydrophobicContact CG2-CB 3.94Å; T370-F374 HydrophobicContact CG2-CD1 3.46Å; T370-F374 VanDerWaalsContact CG2-CD1 3.46Å; T370-F374 HydrophobicContact CG2-CE1 4.28Å; T370-F374 HydrophobicContact CG2-CG 3.92Å; R371-F374 WeakPolarHBondContact O-CB 3.29Å; R371-F374 PolarHBondContact O-N 3.29Å; L372-F374 PolarHBondContact O-N 3.44Å; F374-E377 PolarHBondContact O-N 3.17Å; F374-H378 AromaticContact CD2-CE1 3.74Å; F374-H378 HydrophobicContact CE1-CB 4.29Å; F374-H378 AromaticContact CE1-CD2 3.57Å; F374-H378 AromaticContact CE1-CG 3.71Å; F374-H378 AromaticContact CE2-CD2 3.82Å; F374-H378 AromaticContact CE2-CE1 3.53Å; F374-H378 AromaticContact CE2-NE2 3.35Å; F374-H378 WeakPolarHBondContact CE2-NE2 3.49Å; F374-H378 AromaticContact CZ-CD2 3.3Å; F374-H378 WeakPolarHBondContact CZ-CD2 3.24Å; F374-H378 AromaticContact CZ-CE1 3.83Å; F374-H378 AromaticContact CZ-CG 3.87Å; F374-H378 AromaticContact CZ-NE2 3.33Å; F374-H378 VanDerWaalsContact CZ-NE2 3.33Å; F374-H378 WeakPolarHBondContact CZ-NE2 3.3Å; F374-H378 WeakPolarHBondContact O-CB 3.3Å; F374-H378 VanDerWaalsContact O-CG 3.32Å; F374-H378 PolarHBondContact O-N 3.46Å; F374-H378 PolarHBondContact O-ND1 2.91Å
375L88.6Confident82.9Confident0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-62.4-47.4178.1-62.7179.9000111.5Y360 L362 T370 R371 L372 E377 H378 F379 L403Y360-L375 HydrophobicContact CD1-CD2 4.29Å; Y360-L375 HydrophobicContact CD2-CD1 4.43Å; Y360-L375 HydrophobicContact CG-CD1 4.2Å; Y360-L375 HydrophobicContact CG-CD2 4.17Å; L362-L375 HydrophobicContact CD1-CD2 3.9Å; L362-L375 HydrophobicContact CG-CD2 4.33Å; T370-L375 HydrophobicContact CG2-CD2 3.64Å; T370-L375 HydrophobicContact CG2-CG 3.9Å; R371-L375 PolarHBondContact O-N 3.04Å; R371-L375 VanDerWaalsContact O-N 3.16Å; L372-L375 PolarHBondContact O-N 3.12Å; L375-E377 VanDerWaalsContact C-N 3.35Å; L375-E377 PolarHBondContact O-N 2.96Å; L375-H378 PolarHBondContact O-N 3.3Å; L375-F379 HydrophobicContact CB-CD2 4.45Å; L375-F379 HydrophobicContact CD2-CD2 4.08Å; L375-F379 HydrophobicContact CD2-CE2 3.84Å; L375-F379 VanDerWaalsContact O-CB 3.28Å; L375-F379 WeakPolarHBondContact O-CB 3.48Å; L375-F379 WeakPolarHBondContact O-CD2 3.11Å; L375-F379 PolarHBondContact O-N 2.89Å; L375-L403 HydrophobicContact CB-CD1 3.65Å; L375-L403 HydrophobicContact CB-CD2 4.05Å; L375-L403 HydrophobicContact CD1-CD1 4.16Å
376S84.5Confident83.5Confident0 Ų055.8 Ų55.80%027%0.274CS..Iπ-helixtrans-59.6-44.4178.6-168.70000111.9L372 H378 L380 G381 R382 I384L372-S376 WeakPolarHBondContact O-CB 3.41Å; L372-S376 PolarHBondContact O-N 3.49Å; S376-H378 PolarHBondContact O-N 3.2Å; S376-L380 CarbonylContact O-C 3.25Å; S376-L380 WeakPolarHBondContact O-CA 3.34Å; S376-L380 VanDerWaalsContact O-CB 3.24Å; S376-L380 WeakPolarHBondContact O-CB 3.42Å; S376-L380 PolarHBondContact O-N 3.24Å; S376-G381 PolarHBondContact O-N 2.91Å; S376-G381 VanDerWaalsContact O-N 3.09Å; S376-R382 CarbonylContact C-O 3.42Å; S376-R382 PolarHBondContact O-N 3.45Å; S376-R382 VanDerWaalsContact O-N 3.11Å; S376-R382 PolarHBondContact OG-O 3.28Å; S376-I384 WeakPolarHBondContact OG-CG2 3.34Å
377E85Confident83.9Confident72 Ų7253.6 Ų53.634%0.33628%0.283SS..Iπ-helixtrans-63.7-45.8177.9-179.2-178.4-171.800111.7R373 F374 L375 G381 R382 M383R373-E377 VanDerWaalsContact O-CB 3.31Å; R373-E377 WeakPolarHBondContact O-CB 3.39Å; R373-E377 PolarHBondContact O-N 3.3Å; F374-E377 PolarHBondContact O-N 3.17Å; L375-E377 VanDerWaalsContact C-N 3.35Å; L375-E377 PolarHBondContact O-N 2.96Å; E377-G381 VanDerWaalsContact O-CA 3.22Å; E377-G381 WeakPolarHBondContact O-CA 3.08Å; E377-G381 PolarHBondContact O-N 2.92Å; E377-R382 VanDerWaalsContact CA-O 3.24Å; E377-R382 WeakPolarHBondContact CA-O 3.42Å; E377-R382 PolarHBondContact N-O 3.12Å; E377-R382 VanDerWaalsContact N-O 3.11Å; E377-M383 HydrophobicContact CB-SD 4.46Å; E377-M383 HydrophobicContact CG-CE 4.12Å; E377-M383 HydrophobicContact CG-SD 4.04Å; E377-M383 WeakPolarHBondContact OE1-CE 3.41Å
378H83Confident84.4Confident28 Ų2860.3 Ų60.313%0.1330%0.299CS..Iπ-helixtrans-87.9-26.9-168.2-67.549.1000113.5F374 L375 S376 F423 Y427F374-H378 AromaticContact CD2-CE1 3.74Å; F374-H378 HydrophobicContact CE1-CB 4.29Å; F374-H378 AromaticContact CE1-CD2 3.57Å; F374-H378 AromaticContact CE1-CG 3.71Å; F374-H378 AromaticContact CE2-CD2 3.82Å; F374-H378 AromaticContact CE2-CE1 3.53Å; F374-H378 AromaticContact CE2-NE2 3.35Å; F374-H378 WeakPolarHBondContact CE2-NE2 3.49Å; F374-H378 AromaticContact CZ-CD2 3.3Å; F374-H378 WeakPolarHBondContact CZ-CD2 3.24Å; F374-H378 AromaticContact CZ-CE1 3.83Å; F374-H378 AromaticContact CZ-CG 3.87Å; F374-H378 AromaticContact CZ-NE2 3.33Å; F374-H378 VanDerWaalsContact CZ-NE2 3.33Å; F374-H378 WeakPolarHBondContact CZ-NE2 3.3Å; F374-H378 WeakPolarHBondContact O-CB 3.3Å; F374-H378 VanDerWaalsContact O-CG 3.32Å; F374-H378 PolarHBondContact O-N 3.46Å; F374-H378 PolarHBondContact O-ND1 2.91Å; L375-H378 PolarHBondContact O-N 3.3Å; S376-H378 PolarHBondContact O-N 3.2Å; H378-F423 HydrophobicContact CB-CE1 4.19Å; H378-F423 HydrophobicContact CB-CZ 3.88Å; H378-Y427 WeakPolarHBondContact CB-OH 3.16Å; H378-Y427 AromaticContact CD2-CE1 3.85Å; H378-Y427 AromaticContact CD2-CZ 3.51Å; H378-Y427 PolarHBondContact CD2-OH 3.39Å; H378-Y427 PolarHBondContact NE2-OH 2.76Å
379F83.3Confident84.8Confident1 Ų161.5 Ų61.50%0.00432%0.315CS..Iπ-helixtrans-103.9-37.2-179.5-72.1-88000113.1F191 Y360 L362 L375 L403 L406 F414 W421 F423F191-F379 AromaticContact CD2-CD1 3.98Å; F191-F379 HydrophobicContact CD2-CD1 3.98Å; F191-F379 AromaticContact CE2-CD1 3.82Å; F191-F379 HydrophobicContact CE2-CD1 3.82Å; F191-F379 HydrophobicContact CE2-CE1 4.21Å; Y360-F379 HydrophobicContact CD1-CD1 4.37Å; Y360-F379 HydrophobicContact CD1-CD2 4.19Å; Y360-F379 AromaticContact CD1-CE1 3.97Å; Y360-F379 HydrophobicContact CD1-CE1 3.97Å; Y360-F379 AromaticContact CD1-CE2 3.79Å; Y360-F379 HydrophobicContact CD1-CE2 3.79Å; Y360-F379 HydrophobicContact CD1-CG 4.46Å; Y360-F379 AromaticContact CD1-CZ 3.66Å; Y360-F379 HydrophobicContact CD1-CZ 3.66Å; Y360-F379 AromaticContact CE1-CD1 3.67Å; Y360-F379 HydrophobicContact CE1-CD1 3.67Å; Y360-F379 HydrophobicContact CE1-CD2 4.12Å; Y360-F379 AromaticContact CE1-CE1 3.57Å; Y360-F379 HydrophobicContact CE1-CE1 3.57Å; Y360-F379 HydrophobicContact CE1-CE2 4.05Å; Y360-F379 AromaticContact CE1-CG 3.93Å; Y360-F379 HydrophobicContact CE1-CG 3.93Å; Y360-F379 AromaticContact CE1-CZ 3.77Å; Y360-F379 HydrophobicContact CE1-CZ 3.77Å; L362-F379 HydrophobicContact CD1-CE2 4.08Å; L362-F379 HydrophobicContact CD2-CE2 4.14Å; L362-F379 HydrophobicContact CD2-CZ 3.96Å; L375-F379 HydrophobicContact CB-CD2 4.45Å; L375-F379 HydrophobicContact CD2-CD2 4.08Å; L375-F379 HydrophobicContact CD2-CE2 3.84Å; L375-F379 VanDerWaalsContact O-CB 3.28Å; L375-F379 WeakPolarHBondContact O-CB 3.48Å; L375-F379 WeakPolarHBondContact O-CD2 3.11Å; L375-F379 PolarHBondContact O-N 2.89Å; F379-L403 HydrophobicContact CB-CD2 3.69Å; F379-L403 HydrophobicContact CG-CD2 4.29Å; F379-L406 HydrophobicContact CB-CD2 3.84Å; F379-L406 HydrophobicContact CD1-CD2 4.29Å; F379-L406 WeakPolarHBondContact O-CD2 3.31Å; F379-F414 AromaticContact CD1-CE1 3.5Å; F379-F414 HydrophobicContact CD1-CE1 3.5Å; F379-F414 AromaticContact CD1-CZ 3.59Å; F379-F414 HydrophobicContact CD1-CZ 3.59Å; F379-F414 HydrophobicContact CE1-CD1 4.4Å; F379-F414 AromaticContact CE1-CE1 3.66Å; F379-F414 HydrophobicContact CE1-CE1 3.66Å; F379-F414 AromaticContact CE1-CZ 3.77Å; F379-F414 HydrophobicContact CE1-CZ 3.77Å; F379-W421 AromaticContact CE1-CH2 3.35Å; F379-W421 HydrophobicContact CE1-CH2 3.35Å; F379-W421 AromaticContact CE1-CZ2 3.43Å; F379-W421 HydrophobicContact CE1-CZ2 3.43Å; F379-W421 VanDerWaalsContact CE1-CZ2 3.43Å; F379-W421 HydrophobicContact CE1-CZ3 4.29Å; F379-W421 AromaticContact CZ-CH2 3.29Å; F379-W421 HydrophobicContact CZ-CH2 3.29Å; F379-W421 AromaticContact CZ-CZ2 3.9Å; F379-W421 HydrophobicContact CZ-CZ2 3.9Å; F379-W421 AromaticContact CZ-CZ3 3.92Å; F379-W421 HydrophobicContact CZ-CZ3 3.92Å; F379-F423 HydrophobicContact CD2-CZ 4.37Å; F379-F423 HydrophobicContact CE1-CZ 4.4Å; F379-F423 HydrophobicContact CE2-CE1 4.46Å; F379-F423 HydrophobicContact CE2-CE2 4.48Å; F379-F423 AromaticContact CE2-CZ 3.73Å; F379-F423 HydrophobicContact CE2-CZ 3.73Å; F379-F423 HydrophobicContact CZ-CE1 4.3Å; F379-F423 HydrophobicContact CZ-CE2 4.36Å; F379-F423 AromaticContact CZ-CZ 3.76Å; F379-F423 HydrophobicContact CZ-CZ 3.76Å
380L85.6Confident84.9Confident6 Ų659 Ų593%0.03131%0.307CS..Iπ-helixtrans-100.8-9.8-179.1-51.4-179.4000113T189 L193 S376 R382 A399 D402 L403 L406T189-L380 WeakPolarHBondContact CG2-O 3.4Å; L193-L380 HydrophobicContact CD1-CD2 4.08Å; S376-L380 CarbonylContact O-C 3.25Å; S376-L380 WeakPolarHBondContact O-CA 3.34Å; S376-L380 VanDerWaalsContact O-CB 3.24Å; S376-L380 WeakPolarHBondContact O-CB 3.42Å; S376-L380 PolarHBondContact O-N 3.24Å; L380-R382 HydrophobicContact CB-CB 4.36Å; L380-R382 HydrophobicContact CB-CG 4.12Å; L380-R382 WeakPolarHBondContact O-CG 3.38Å; L380-R382 PolarHBondContact O-N 3.23Å; L380-A399 HydrophobicContact CD1-CB 4.37Å; L380-A399 WeakPolarHBondContact CD1-O 3.46Å; L380-D402 HydrophobicContact CD1-CB 3.69Å; L380-D402 HydrophobicContact CD2-CB 4.02Å; L380-L403 HydrophobicContact CD1-CD2 4.41Å; L380-L403 HydrophobicContact CD1-CG 4.08Å; L380-L403 HydrophobicContact CD2-CD2 4.29Å; L380-L403 HydrophobicContact CG-CD2 4.04Å; L380-L403 HydrophobicContact CG-CG 4.25Å; L380-L406 HydrophobicContact CD2-CB 4.42Å; L380-L406 HydrophobicContact CD2-CD2 4.07Å
381G78.7Confident85Confident43 Ų4361.2 Ų61.244%0.44332%0.316SS..  trans64.724.4-173.300000113.3S376 E377S376-G381 PolarHBondContact O-N 2.91Å; S376-G381 VanDerWaalsContact O-N 3.09Å; E377-G381 VanDerWaalsContact O-CA 3.22Å; E377-G381 WeakPolarHBondContact O-CA 3.08Å; E377-G381 PolarHBondContact O-N 2.92Å
382R84.1Confident85.1Confident96 Ų9653.4 Ų53.436%0.36229%0.294SS..  trans-116.3129.4-174.8-63.7-179.7-162171.210.5111.3S376 E377 L380 D402S376-R382 CarbonylContact C-O 3.42Å; S376-R382 PolarHBondContact O-N 3.45Å; S376-R382 VanDerWaalsContact O-N 3.11Å; S376-R382 PolarHBondContact OG-O 3.28Å; E377-R382 VanDerWaalsContact CA-O 3.24Å; E377-R382 WeakPolarHBondContact CA-O 3.42Å; E377-R382 PolarHBondContact N-O 3.12Å; E377-R382 VanDerWaalsContact N-O 3.11Å; L380-R382 HydrophobicContact CB-CB 4.36Å; L380-R382 HydrophobicContact CB-CG 4.12Å; L380-R382 WeakPolarHBondContact O-CG 3.38Å; L380-R382 PolarHBondContact O-N 3.23Å; R382-D402 IonicContact CZ-OD2 2.82Å; R382-D402 IonicContact NH1-OD2 2.86Å; R382-D402 PolarHBondContact NH1-OD2 3.11Å; R382-D402 IonicContact NH2-OD2 3.1Å; R382-D402 PolarHBondContact NH2-OD2 3.33Å
383M85.3Confident85Confident101 Ų10152.9 Ų52.950%0.49829%0.291SS..  trans-88.9111.3169.7-72.9-74.9-160.400109E377 T386E377-M383 HydrophobicContact CB-SD 4.46Å; E377-M383 HydrophobicContact CG-CE 4.12Å; E377-M383 HydrophobicContact CG-SD 4.04Å; E377-M383 WeakPolarHBondContact OE1-CE 3.41Å; M383-T386 HydrophobicContact CB-CG2 3.8Å
384I85.7Confident85.2Confident5 Ų548.5 Ų48.53%0.02628%0.278CS..  trans-106.7164.3174.862.5174.5000110.2L372 R373 S376 T386 E395 A399L372-I384 HydrophobicContact CD2-CD1 3.99Å; L372-I384 HydrophobicContact CG-CD1 3.74Å; R373-I384 HydrophobicContact CB-CG1 4.27Å; R373-I384 HydrophobicContact CG-CG1 4.46Å; S376-I384 WeakPolarHBondContact OG-CG2 3.34Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 PolarHBondContact O-N 3.04Å; I384-E395 HydrophobicContact CB-CG 3.86Å; I384-E395 HydrophobicContact CG2-CG 3.6Å; I384-A399 HydrophobicContact CD1-CB 3.96Å; I384-A399 HydrophobicContact CG2-CB 4.29Å
385Q85.6Confident85.7Confident38 Ų3847.9 Ų47.918%0.17828%0.276CS..SBendtrans57.237.7176.3-54.6172.5-10.200112.9H391 E395 D396Q385-H391 HydrophobicContact CG-CB 4.22Å; Q385-H391 PolarHBondContact NE2-ND1 3.49Å; Q385-E395 PolarHBondContact N-OE2 3.13Å; Q385-D396 WeakPolarHBondContact CG-OD1 3.49Å; Q385-D396 PolarHBondContact NE2-OD1 3.2Å; Q385-D396 VanDerWaalsContact NE2-OD1 3.08Å; Q385-D396 PolarHBondContact NE2-OD2 3.49Å
386T83.2Confident86.1Confident95 Ų9548.1 Ų48.158%0.58328%0.278SS*.  trans-92.1-13.1-177.758.10000114.1M383 I384M383-T386 HydrophobicContact CB-CG2 3.8Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 PolarHBondContact O-N 3.04Å
387G78.5Confident86.7Confident54 Ų5448.1 Ų48.156%0.55728%0.278SS*.SBendtrans-75.1163179.900000113.5
388K79.7Confident87.2Confident209 Ų20946.9 Ų46.991%0.90927%0.273SS*.SBendtrans-87.1-11.8170.2-65.9-175.4179.6-179.10113.2G390K388-G390 VanDerWaalsContact C-N 3.27Å; K388-G390 PolarHBondContact O-N 3.16Å
389G81.6Confident87.8Confident57 Ų5745.6 Ų45.659%0.58827%0.267SS*.SBendtrans-89.629.6-174.500000114.2G304G304-G389 WeakPolarHBondContact CA-O 3.4Å
390G85.2Confident88.5Confident11 Ų1145.6 Ų45.611%0.11327%0.267CS..  trans79.2-176.4-172.600000114K301 F302 K388K301-G390 WeakPolarHBondContact O-CA 3.42Å; F302-G390 CarbonylContact O-C 3.51Å; F302-G390 WeakPolarHBondContact O-CA 3.21Å; K388-G390 VanDerWaalsContact C-N 3.27Å; K388-G390 PolarHBondContact O-N 3.16Å
391H87.9Confident89.1Confident58 Ų5845.3 Ų45.327%0.26927%0.266SS..  trans-81.1161.9175.4-57.9172.3000109.8E261 F302 Q385 D396E261-H391 WeakPolarHBondContact OE1-CB 3.47Å; F302-H391 WeakPolarHBondContact O-CB 3.44Å; F302-H391 PolarHBondContact O-N 3.05Å; Q385-H391 HydrophobicContact CG-CB 4.22Å; Q385-H391 PolarHBondContact NE2-ND1 3.49Å; H391-D396 IonicContact ND1-OD2 3.12Å
392S90.6Very high89.9Confident45 Ų4543.5 Ų43.532%0.31525%0.246SC..  trans-114.5111.4172.81740000107.2A394 E395 D396S392-A394 PolarHBondContact O-N 2.96Å; S392-A394 VanDerWaalsContact O-N 3.14Å; S392-E395 WeakPolarHBondContact O-CA 3.42Å; S392-E395 WeakPolarHBondContact O-CB 3.42Å; S392-E395 PolarHBondContact O-N 3.43Å; S392-D396 PolarHBondContact O-N 3.19Å
393S94.1Very high90.5Very high0 Ų039 Ų390%023%0.229CC..Hα-helixtrans-53-35.8177.152.10000113.4D259 E261 R273 T275 A397D259-S393 WeakPolarHBondContact CB-O 3.12Å; D259-S393 WeakPolarHBondContact OD2-CA 3.1Å; D259-S393 VanDerWaalsContact OD2-CB 3.31Å; D259-S393 WeakPolarHBondContact OD2-CB 3.41Å; E261-S393 PolarHBondContact OE1-N 2.94Å; R273-S393 WeakPolarHBondContact CD-OG 3.46Å; R273-S393 PolarHBondContact NE-OG 3.17Å; T275-S393 WeakPolarHBondContact OG1-CB 3.3Å; T275-S393 PolarHBondContact OG1-OG 3.29Å; S393-A397 VanDerWaalsContact O-CB 3.23Å; S393-A397 WeakPolarHBondContact O-CB 3.33Å; S393-A397 PolarHBondContact O-N 3.33Å
394A93.7Very high91.1Very high17 Ų1734.1 Ų34.114%0.1421%0.205CC..Hα-helixtrans-65.2-43.9172.500000113.3T275 S392 D396 I398T275-A394 HydrophobicContact CG2-CB 4.01Å; S392-A394 PolarHBondContact O-N 2.96Å; S392-A394 VanDerWaalsContact O-N 3.14Å; A394-D396 VanDerWaalsContact C-N 3.34Å; A394-I398 WeakPolarHBondContact O-CB 3.48Å; A394-I398 WeakPolarHBondContact O-CD1 2.98Å; A394-I398 WeakPolarHBondContact O-CG1 3.25Å; A394-I398 PolarHBondContact O-N 2.95Å
395E95.3Very high91.6Very high69 Ų6934.6 Ų34.632%0.32221%0.207SC..Hα-helixtrans-61.4-43.8176.2-177.7179.5-125.900111.1I384 Q385 S392 I398 A399I384-E395 HydrophobicContact CB-CG 3.86Å; I384-E395 HydrophobicContact CG2-CG 3.6Å; Q385-E395 PolarHBondContact N-OE2 3.13Å; S392-E395 WeakPolarHBondContact O-CA 3.42Å; S392-E395 WeakPolarHBondContact O-CB 3.42Å; S392-E395 PolarHBondContact O-N 3.43Å; E395-I398 PolarHBondContact O-N 3.49Å; E395-A399 WeakPolarHBondContact O-CB 3.37Å; E395-A399 PolarHBondContact O-N 2.82Å
396D97.3Very high91.9Very high5 Ų532.8 Ų32.83%0.02720%0.198CC..Hα-helixtrans-71.4-40.9-177.6-73.9-13.6000112.2D259 L372 Q385 H391 S392 A394 A399 T400D259-D396 HydrophobicContact CB-CB 4.45Å; L372-D396 HydrophobicContact CD2-CB 3.83Å; Q385-D396 WeakPolarHBondContact CG-OD1 3.49Å; Q385-D396 PolarHBondContact NE2-OD1 3.2Å; Q385-D396 VanDerWaalsContact NE2-OD1 3.08Å; Q385-D396 PolarHBondContact NE2-OD2 3.49Å; H391-D396 IonicContact ND1-OD2 3.12Å; S392-D396 PolarHBondContact O-N 3.19Å; A394-D396 VanDerWaalsContact C-N 3.34Å; D396-A399 PolarHBondContact O-N 2.88Å; D396-T400 VanDerWaalsContact O-CB 3.22Å; D396-T400 WeakPolarHBondContact O-CB 3.11Å; D396-T400 PolarHBondContact O-N 3.06Å; D396-T400 PolarHBondContact O-OG1 3.06Å
397A97Very high92.4Very high0 Ų028.4 Ų28.40%017%0.171CC..Hα-helixtrans-61.8-43.4172.500000111.7A257 D259 I277 S393 T400 M401A257-A397 HydrophobicContact CB-CB 4.38Å; A257-A397 WeakPolarHBondContact CB-O 3.48Å; D259-A397 HydrophobicContact CB-CB 4.01Å; I277-A397 VanDerWaalsContact CD1-C 3.44Å; I277-A397 HydrophobicContact CD1-CB 4.08Å; I277-A397 WeakPolarHBondContact CD1-O 3.37Å; I277-A397 HydrophobicContact CG1-CB 4.28Å; I277-A397 HydrophobicContact CG2-CB 4.22Å; S393-A397 VanDerWaalsContact O-CB 3.23Å; S393-A397 WeakPolarHBondContact O-CB 3.33Å; S393-A397 PolarHBondContact O-N 3.33Å; A397-T400 WeakPolarHBondContact O-CB 3.46Å; A397-T400 PolarHBondContact O-N 2.92Å; A397-M401 PolarHBondContact O-N 3.22Å
398I96.2Very high93.1Very high46 Ų4625.9 Ų25.924%0.23615%0.145CC..Hα-helixtrans-64.6-47.1178.3-69.2167.2000110.7I277 A281 A394 E395 T400 M401 D402I277-I398 VanDerWaalsContact CD1-CA 3.41Å; I277-I398 HydrophobicContact CD1-CB 4.12Å; I277-I398 HydrophobicContact CD1-CG1 3.59Å; I277-I398 HydrophobicContact CG2-CG1 4.48Å; A281-I398 HydrophobicContact CB-CG1 4.26Å; A281-I398 HydrophobicContact CB-CG2 4.22Å; A394-I398 WeakPolarHBondContact O-CB 3.48Å; A394-I398 WeakPolarHBondContact O-CD1 2.98Å; A394-I398 WeakPolarHBondContact O-CG1 3.25Å; A394-I398 PolarHBondContact O-N 2.95Å; E395-I398 PolarHBondContact O-N 3.49Å; I398-T400 PolarHBondContact O-N 3.34Å; I398-M401 PolarHBondContact O-N 2.72Å; I398-D402 WeakPolarHBondContact O-CB 3.23Å; I398-D402 PolarHBondContact O-N 2.97Å
399A96Very high93.7Very high2 Ų217.6 Ų17.62%0.01711%0.113CC..Hα-helixtrans-59.6-39.7176.700000111.5L380 I384 E395 D396 L403L380-A399 HydrophobicContact CD1-CB 4.37Å; L380-A399 WeakPolarHBondContact CD1-O 3.46Å; I384-A399 HydrophobicContact CD1-CB 3.96Å; I384-A399 HydrophobicContact CG2-CB 4.29Å; E395-A399 WeakPolarHBondContact O-CB 3.37Å; E395-A399 PolarHBondContact O-N 2.82Å; D396-A399 PolarHBondContact O-N 2.88Å; A399-L403 VanDerWaalsContact O-CG 3.27Å; A399-L403 WeakPolarHBondContact O-CG 3.43Å; A399-L403 PolarHBondContact O-N 3.07Å
400T98.1Very high94.1Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-65.1-46.7177.8-66.90000112.4V335 G336 T356 D396 A397 I398 L403 V404V335-T400 HydrophobicContact CG1-CG2 3.83Å; G336-T400 VanDerWaalsContact C-CG2 3.42Å; T356-T400 HydrophobicContact CG2-CG2 3.76Å; D396-T400 VanDerWaalsContact O-CB 3.22Å; D396-T400 WeakPolarHBondContact O-CB 3.11Å; D396-T400 PolarHBondContact O-N 3.06Å; D396-T400 PolarHBondContact O-OG1 3.06Å; A397-T400 WeakPolarHBondContact O-CB 3.46Å; A397-T400 PolarHBondContact O-N 2.92Å; I398-T400 PolarHBondContact O-N 3.34Å; T400-L403 PolarHBondContact O-N 3.44Å; T400-V404 PolarHBondContact O-N 2.94Å
401M97.5Very high94Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-62.3-44.6175.6-178.457.276.500111.8M255 A257 I277 E279 V335 A397 I398 L403 V404 R405M255-M401 HydrophobicContact CB-CE 3.87Å; M255-M401 HydrophobicContact CB-SD 4.25Å; M255-M401 HydrophobicContact CE-SD 4.39Å; A257-M401 HydrophobicContact CB-CB 3.87Å; A257-M401 HydrophobicContact CB-CE 3.83Å; A257-M401 VanDerWaalsContact N-CE 3.33Å; I277-M401 HydrophobicContact CD1-CB 3.92Å; E279-M401 HydrophobicContact CB-SD 4.45Å; E279-M401 HydrophobicContact CG-SD 4.38Å; V335-M401 HydrophobicContact CG2-CE 4.23Å; A397-M401 PolarHBondContact O-N 3.22Å; I398-M401 PolarHBondContact O-N 2.72Å; M401-L403 VanDerWaalsContact C-N 3.3Å; M401-L403 PolarHBondContact O-N 3.09Å; M401-V404 PolarHBondContact O-N 3.02Å; M401-V404 VanDerWaalsContact O-N 3.09Å; M401-R405 PolarHBondContact O-N 3.06Å; M401-R405 HydrophobicContact SD-CG 4.44Å
402D96.1Very high93.6Very high6 Ų622 Ų223%0.03212%0.12CC..Hα-helixtrans-64-34.6179.7-81-7.3000112.1L193 L380 R382 I398 R405 L406L193-D402 HydrophobicContact CD1-CB 3.81Å; L193-D402 VanDerWaalsContact CD1-O 3.27Å; L193-D402 WeakPolarHBondContact CD1-O 3.22Å; L193-D402 HydrophobicContact CD2-CB 4.19Å; L380-D402 HydrophobicContact CD1-CB 3.69Å; L380-D402 HydrophobicContact CD2-CB 4.02Å; R382-D402 IonicContact CZ-OD2 2.82Å; R382-D402 IonicContact NH1-OD2 2.86Å; R382-D402 PolarHBondContact NH1-OD2 3.11Å; R382-D402 IonicContact NH2-OD2 3.1Å; R382-D402 PolarHBondContact NH2-OD2 3.33Å; I398-D402 WeakPolarHBondContact O-CB 3.23Å; I398-D402 PolarHBondContact O-N 2.97Å; D402-R405 IonicContact OD1-NH1 2.8Å; D402-L406 VanDerWaalsContact O-CB 3.23Å; D402-L406 WeakPolarHBondContact O-CB 3.48Å; D402-L406 PolarHBondContact O-N 2.84Å
403L96.8Very high93Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-63.1-40.1171.9-77.7169.1000112.3T356 Y360 L372 L375 F379 L380 A399 T400 M401 K407T356-L403 HydrophobicContact CG2-CB 4.09Å; Y360-L403 HydrophobicContact CE1-CD2 4.43Å; Y360-L403 HydrophobicContact CE2-CB 3.79Å; Y360-L403 HydrophobicContact CE2-CD2 4.13Å; Y360-L403 HydrophobicContact CE2-CG 4.47Å; Y360-L403 WeakPolarHBondContact CE2-O 3.43Å; Y360-L403 PolarHBondContact OH-O 3.44Å; L372-L403 HydrophobicContact CD1-CD1 3.64Å; L375-L403 HydrophobicContact CB-CD1 3.65Å; L375-L403 HydrophobicContact CB-CD2 4.05Å; L375-L403 HydrophobicContact CD1-CD1 4.16Å; F379-L403 HydrophobicContact CB-CD2 3.69Å; F379-L403 HydrophobicContact CG-CD2 4.29Å; L380-L403 HydrophobicContact CD1-CD2 4.41Å; L380-L403 HydrophobicContact CD1-CG 4.08Å; L380-L403 HydrophobicContact CD2-CD2 4.29Å; L380-L403 HydrophobicContact CG-CD2 4.04Å; L380-L403 HydrophobicContact CG-CG 4.25Å; A399-L403 VanDerWaalsContact O-CG 3.27Å; A399-L403 WeakPolarHBondContact O-CG 3.43Å; A399-L403 PolarHBondContact O-N 3.07Å; T400-L403 PolarHBondContact O-N 3.44Å; M401-L403 VanDerWaalsContact C-N 3.3Å; M401-L403 PolarHBondContact O-N 3.09Å; L403-K407 PolarHBondContact O-N 3.23Å
404V97.6Very high92.5Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-67.8-48.5176.6173.20000110.9L207 M255 V335 I354 T356 I359 T400 M401 L406 K407 L408L207-V404 HydrophobicContact CD1-CG1 4.38Å; M255-V404 HydrophobicContact CE-CG1 4.16Å; M255-V404 HydrophobicContact SD-CG1 3.76Å; V335-V404 HydrophobicContact CG1-CB 4.28Å; V335-V404 HydrophobicContact CG1-CG2 3.36Å; I354-V404 HydrophobicContact CD1-CG1 4.39Å; I354-V404 HydrophobicContact CG2-CG2 3.83Å; T356-V404 HydrophobicContact CG2-CG2 3.71Å; I359-V404 HydrophobicContact CD1-CG2 3.91Å; T400-V404 PolarHBondContact O-N 2.94Å; M401-V404 PolarHBondContact O-N 3.02Å; M401-V404 VanDerWaalsContact O-N 3.09Å; V404-L406 VanDerWaalsContact C-N 3.28Å; V404-L406 PolarHBondContact O-N 2.98Å; V404-K407 WeakPolarHBondContact O-CB 3.42Å; V404-K407 PolarHBondContact O-N 2.8Å; V404-K407 VanDerWaalsContact O-N 3.08Å; V404-L408 HydrophobicContact CG1-CD1 3.76Å; V404-L408 HydrophobicContact CG1-CG 4.26Å; V404-L408 WeakPolarHBondContact O-CG 3.28Å; V404-L408 PolarHBondContact O-N 3.06Å
405R95.3Very high91.8Very high15 Ų1519.6 Ų19.66%0.05710%0.103CC..Hα-helixtrans-58.3-42176.4-75.9175.653.2-159.7-16.7112P194 P196 E279 M401 D402 L408 S409P194-R405 HydrophobicContact CG-CB 4.19Å; P194-R405 PolarHBondContact O-NH2 3.18Å; P196-R405 VanDerWaalsContact CD-NH2 3.32Å; P196-R405 VanDerWaalsContact N-NH2 3.19Å; E279-R405 HydrophobicContact CG-CG 4.43Å; E279-R405 VanDerWaalsContact O-CD 3.24Å; E279-R405 WeakPolarHBondContact O-CD 3.27Å; E279-R405 PolarHBondContact O-NH1 3.44Å; M401-R405 PolarHBondContact O-N 3.06Å; M401-R405 HydrophobicContact SD-CG 4.44Å; D402-R405 IonicContact OD1-NH1 2.8Å; R405-L408 PolarHBondContact O-N 3.15Å; R405-S409 PolarHBondContact O-N 2.69Å
406L93.4Very high91Very high0 Ų016.9 Ų16.90%09%0.09CC..Hα-helixtrans-58.6-50.8174178.761.9000110.5F191 L193 F379 L380 D402 V404 L408 S409 Q410 F414F191-L406 HydrophobicContact CB-CD1 3.75Å; F191-L406 HydrophobicContact CB-CD2 3.9Å; F191-L406 HydrophobicContact CB-CG 4.4Å; F191-L406 HydrophobicContact CG-CD2 4.5Å; L193-L406 HydrophobicContact CD1-CB 4.14Å; F379-L406 HydrophobicContact CB-CD2 3.84Å; F379-L406 HydrophobicContact CD1-CD2 4.29Å; F379-L406 WeakPolarHBondContact O-CD2 3.31Å; L380-L406 HydrophobicContact CD2-CB 4.42Å; L380-L406 HydrophobicContact CD2-CD2 4.07Å; D402-L406 VanDerWaalsContact O-CB 3.23Å; D402-L406 WeakPolarHBondContact O-CB 3.48Å; D402-L406 PolarHBondContact O-N 2.84Å; V404-L406 VanDerWaalsContact C-N 3.28Å; V404-L406 PolarHBondContact O-N 2.98Å; L406-L408 VanDerWaalsContact C-N 3.32Å; L406-L408 PolarHBondContact O-N 3.27Å; L406-S409 PolarHBondContact O-N 3.44Å; L406-S409 VanDerWaalsContact O-N 3.13Å; L406-S409 PolarHBondContact O-OG 3.08Å; L406-Q410 VanDerWaalsContact O-CG 3.31Å; L406-Q410 WeakPolarHBondContact O-CG 3.36Å; L406-Q410 PolarHBondContact O-N 2.54Å; L406-F414 HydrophobicContact CD2-CE1 3.79Å; L406-F414 HydrophobicContact CD2-CZ 3.97Å; L406-F414 HydrophobicContact CG-CE1 3.78Å; L406-F414 HydrophobicContact CG-CZ 4.09Å
407K93.2Very high89.8Confident3 Ų318.2 Ų18.21%0.01310%0.099CC..Hα-helixtrans-57.8-45178.3-169.5-17717478.60111.7F202 L207 I359 Y360 L403 V404 S409 Q410 L412 F414F202-K407 WeakPolarHBondContact CE1-O 3.22Å; F202-K407 HydrophobicContact CZ-CG 4.33Å; L207-K407 HydrophobicContact CD1-CD 4.18Å; L207-K407 HydrophobicContact CD2-CD 3.92Å; L207-K407 VanDerWaalsContact CD2-CE 3.43Å; I359-K407 HydrophobicContact CB-CD 4.02Å; I359-K407 HydrophobicContact CD1-CD 3.71Å; I359-K407 HydrophobicContact CG1-CD 4.25Å; I359-K407 PolarHBondContact O-NZ 3.47Å; Y360-K407 HydrophobicContact CE2-CB 4.38Å; L403-K407 PolarHBondContact O-N 3.23Å; V404-K407 WeakPolarHBondContact O-CB 3.42Å; V404-K407 PolarHBondContact O-N 2.8Å; V404-K407 VanDerWaalsContact O-N 3.08Å; K407-S409 VanDerWaalsContact C-N 3.26Å; K407-S409 PolarHBondContact O-N 2.81Å; K407-Q410 PolarHBondContact O-N 2.8Å; K407-L412 VanDerWaalsContact CE-O 3.24Å; K407-L412 WeakPolarHBondContact CE-O 3.41Å; K407-L412 PolarHBondContact NZ-O 3.49Å; K407-F414 HydrophobicContact CB-CD1 4.33Å; K407-F414 HydrophobicContact CG-CB 4.3Å; K407-F414 HydrophobicContact CG-CD1 4.36Å; K407-F414 PolarHBondContact NZ-O 3.39Å
408L93.3Very high88.4Confident1 Ų120 Ų201%0.00511%0.11CC..Hα-helixtrans-63.7-27178.9-71.2169.8000113.4D200 A201 F202 R204 L207 M255 V404 R405 L406 Q410D200-L408 HydrophobicContact CB-CB 4.25Å; D200-L408 HydrophobicContact CB-CD2 4.32Å; A201-L408 VanDerWaalsContact CB-O 3.23Å; A201-L408 WeakPolarHBondContact CB-O 3.32Å; A201-L408 PolarHBondContact N-O 2.77Å; F202-L408 HydrophobicContact CD2-CD2 4.37Å; F202-L408 HydrophobicContact CE1-CD2 4.45Å; F202-L408 HydrophobicContact CE2-CD2 3.81Å; F202-L408 HydrophobicContact CZ-CD2 3.86Å; R204-L408 HydrophobicContact CB-CD1 4.08Å; R204-L408 HydrophobicContact CB-CD2 3.7Å; L207-L408 HydrophobicContact CD1-CD2 3.74Å; L207-L408 HydrophobicContact CD1-CG 4.09Å; M255-L408 HydrophobicContact CE-CD1 3.58Å; M255-L408 HydrophobicContact SD-CD1 4.03Å; V404-L408 HydrophobicContact CG1-CD1 3.76Å; V404-L408 HydrophobicContact CG1-CG 4.26Å; V404-L408 WeakPolarHBondContact O-CG 3.28Å; V404-L408 PolarHBondContact O-N 3.06Å; R405-L408 PolarHBondContact O-N 3.15Å; L406-L408 VanDerWaalsContact C-N 3.32Å; L406-L408 PolarHBondContact O-N 3.27Å; L408-Q410 PolarHBondContact O-N 3.23Å
409S92.4Very high87Confident35 Ų3519 Ų1925%0.24511%0.106CC..THydrogen-bonded Turntrans-77.3-8.1173.173.50000114.6R405 L406 K407R405-S409 PolarHBondContact O-N 2.69Å; L406-S409 PolarHBondContact O-N 3.44Å; L406-S409 VanDerWaalsContact O-N 3.13Å; L406-S409 PolarHBondContact O-OG 3.08Å; K407-S409 VanDerWaalsContact C-N 3.26Å; K407-S409 PolarHBondContact O-N 2.81Å
410Q89.2Confident85.5Confident74 Ų7421.7 Ų21.735%0.34613%0.125SC..SBendtrans-110.9-123.8-175.2-58.1-61.7-54.800109.3A201 L406 K407 L408 F414A201-Q410 WeakPolarHBondContact CB-O 3.41Å; L406-Q410 VanDerWaalsContact O-CG 3.31Å; L406-Q410 WeakPolarHBondContact O-CG 3.36Å; L406-Q410 PolarHBondContact O-N 2.54Å; K407-Q410 PolarHBondContact O-N 2.8Å; L408-Q410 PolarHBondContact O-N 3.23Å; Q410-F414 HydrophobicContact CB-CB 3.71Å; Q410-F414 HydrophobicContact CB-CD1 4.35Å; Q410-F414 HydrophobicContact CB-CD2 3.68Å; Q410-F414 HydrophobicContact CB-CE2 4.41Å; Q410-F414 HydrophobicContact CB-CG 3.66Å; Q410-F414 HydrophobicContact CG-CB 4.44Å; Q410-F414 HydrophobicContact CG-CD1 4.22Å; Q410-F414 HydrophobicContact CG-CD2 3.6Å; Q410-F414 HydrophobicContact CG-CE1 4.39Å; Q410-F414 HydrophobicContact CG-CE2 3.82Å; Q410-F414 HydrophobicContact CG-CG 3.83Å; Q410-F414 HydrophobicContact CG-CZ 4.21Å
411D84.1Confident84.3Confident84 Ų8423 Ų2345%0.44913%0.129SC..  trans-129.9165.8175.269.980.1000110.8G413 F414D411-G413 PolarHBondContact O-N 2.92Å; D411-G413 VanDerWaalsContact O-N 3.12Å; D411-G413 WeakPolarHBondContact OD1-CA 3.47Å; D411-G413 PolarHBondContact OD1-N 3.1Å; D411-F414 WeakPolarHBondContact O-CB 3.45Å; D411-F414 PolarHBondContact O-N 3.15Å; D411-F414 PolarHBondContact OD1-N 3.33Å
412L79.2Confident83.1Confident60 Ų6027.8 Ų27.831%0.31415%0.148SC..THydrogen-bonded Turntrans-58.2-28.9-177.4-175.463000113.1F202 L206 L207 K407F202-L412 HydrophobicContact CD2-CD1 4.17Å; F202-L412 HydrophobicContact CE2-CB 4.43Å; F202-L412 HydrophobicContact CE2-CD1 3.66Å; F202-L412 HydrophobicContact CZ-CB 4.47Å; F202-L412 HydrophobicContact CZ-CD1 4.15Å; L206-L412 HydrophobicContact CB-CD1 4.1Å; L206-L412 HydrophobicContact CD1-CD2 4.46Å; L207-L412 HydrophobicContact CD2-CD1 3.65Å; K407-L412 VanDerWaalsContact CE-O 3.24Å; K407-L412 WeakPolarHBondContact CE-O 3.41Å; K407-L412 PolarHBondContact NZ-O 3.49Å
413G78.3Confident82Confident8 Ų830 Ų308%0.08216%0.157CC..THydrogen-bonded Turntrans-81.6-13177.900000114.7D411 G415 D416 T419 W421D411-G413 PolarHBondContact O-N 2.92Å; D411-G413 VanDerWaalsContact O-N 3.12Å; D411-G413 WeakPolarHBondContact OD1-CA 3.47Å; D411-G413 PolarHBondContact OD1-N 3.1Å; G413-G415 PolarHBondContact O-N 3.04Å; G413-D416 PolarHBondContact O-N 2.9Å; G413-T419 WeakPolarHBondContact CA-OG1 3.38Å; G413-T419 PolarHBondContact O-OG1 3.49Å; G413-T419 VanDerWaalsContact O-OG1 3.13Å; G413-W421 WeakPolarHBondContact O-CB 3.44Å
414F82.8Confident80.4Confident3 Ų332.3 Ų32.31%0.01317%0.172CC..THydrogen-bonded Turntrans-53.2124-178-176.6-92.8000112.7F191 Y360 F379 L406 K407 Q410 D411 D416 W421F191-F414 HydrophobicContact CB-CZ 4.3Å; F191-F414 AromaticContact CD1-CE2 3.6Å; F191-F414 HydrophobicContact CD1-CE2 3.6Å; F191-F414 AromaticContact CD1-CZ 3.69Å; F191-F414 HydrophobicContact CD1-CZ 3.69Å; F191-F414 HydrophobicContact CD2-CZ 4.03Å; F191-F414 AromaticContact CE1-CE2 3.62Å; F191-F414 HydrophobicContact CE1-CE2 3.62Å; F191-F414 AromaticContact CE1-CZ 3.93Å; F191-F414 HydrophobicContact CE1-CZ 3.93Å; F191-F414 HydrophobicContact CE2-CZ 4.23Å; F191-F414 HydrophobicContact CG-CE2 4.15Å; F191-F414 AromaticContact CG-CZ 3.74Å; F191-F414 HydrophobicContact CG-CZ 3.74Å; F191-F414 HydrophobicContact CZ-CE2 4.16Å; F191-F414 HydrophobicContact CZ-CZ 4.19Å; Y360-F414 HydrophobicContact CE1-CD1 4.03Å; Y360-F414 AromaticContact CE1-CE1 3.93Å; Y360-F414 HydrophobicContact CE1-CE1 3.93Å; F379-F414 AromaticContact CD1-CE1 3.5Å; F379-F414 HydrophobicContact CD1-CE1 3.5Å; F379-F414 AromaticContact CD1-CZ 3.59Å; F379-F414 HydrophobicContact CD1-CZ 3.59Å; F379-F414 HydrophobicContact CE1-CD1 4.4Å; F379-F414 AromaticContact CE1-CE1 3.66Å; F379-F414 HydrophobicContact CE1-CE1 3.66Å; F379-F414 AromaticContact CE1-CZ 3.77Å; F379-F414 HydrophobicContact CE1-CZ 3.77Å; L406-F414 HydrophobicContact CD2-CE1 3.79Å; L406-F414 HydrophobicContact CD2-CZ 3.97Å; L406-F414 HydrophobicContact CG-CE1 3.78Å; L406-F414 HydrophobicContact CG-CZ 4.09Å; K407-F414 HydrophobicContact CB-CD1 4.33Å; K407-F414 HydrophobicContact CG-CB 4.3Å; K407-F414 HydrophobicContact CG-CD1 4.36Å; K407-F414 PolarHBondContact NZ-O 3.39Å; Q410-F414 HydrophobicContact CB-CB 3.71Å; Q410-F414 HydrophobicContact CB-CD1 4.35Å; Q410-F414 HydrophobicContact CB-CD2 3.68Å; Q410-F414 HydrophobicContact CB-CE2 4.41Å; Q410-F414 HydrophobicContact CB-CG 3.66Å; Q410-F414 HydrophobicContact CG-CB 4.44Å; Q410-F414 HydrophobicContact CG-CD1 4.22Å; Q410-F414 HydrophobicContact CG-CD2 3.6Å; Q410-F414 HydrophobicContact CG-CE1 4.39Å; Q410-F414 HydrophobicContact CG-CE2 3.82Å; Q410-F414 HydrophobicContact CG-CG 3.83Å; Q410-F414 HydrophobicContact CG-CZ 4.21Å; D411-F414 WeakPolarHBondContact O-CB 3.45Å; D411-F414 PolarHBondContact O-N 3.15Å; D411-F414 PolarHBondContact OD1-N 3.33Å; F414-D416 VanDerWaalsContact C-N 3.32Å; F414-D416 PolarHBondContact O-N 2.9Å; F414-W421 VanDerWaalsContact CA-CD1 3.48Å; F414-W421 AromaticContact CD2-CD1 3.68Å; F414-W421 AromaticContact CD2-CE2 3.84Å; F414-W421 HydrophobicContact CD2-CZ2 4.36Å; F414-W421 AromaticContact CD2-NE1 3.03Å; F414-W421 AromaticContact CE2-CE2 3.98Å; F414-W421 HydrophobicContact CE2-CZ2 4.06Å; F414-W421 AromaticContact CE2-NE1 3.41Å; F414-W421 AromaticContact CG-NE1 3.78Å; F414-W421 HydrophobicContact CZ-CZ2 4.36Å
415G78.9Confident78.4Confident0 Ų042.3 Ų42.30%022%0.219CC..THydrogen-bonded Turntrans78.64.3-177.700000116.1Y360 N361 L362 G413 W421Y360-G415 CarbonylContact C-O 3.52Å; Y360-G415 WeakPolarHBondContact CA-O 3.18Å; N361-G415 PolarHBondContact N-O 3.14Å; L362-G415 WeakPolarHBondContact CD2-O 3.17Å; G413-G415 PolarHBondContact O-N 3.04Å; G415-W421 VanDerWaalsContact CA-CE3 3.44Å; G415-W421 VanDerWaalsContact N-CE2 3.33Å
416D79.2Confident76.4Confident12 Ų1245 Ų456%0.06423%0.234CC..  trans-115.6106.3178.6-174.3-11.3000111.3R366 G413 F414 T418 T419R366-D416 IonicContact NH2-OD2 2.69Å; G413-D416 PolarHBondContact O-N 2.9Å; F414-D416 VanDerWaalsContact C-N 3.32Å; F414-D416 PolarHBondContact O-N 2.9Å; D416-T418 PolarHBondContact O-N 3.22Å; D416-T418 WeakPolarHBondContact OD1-CA 3.48Å; D416-T418 VanDerWaalsContact OD1-CB 3.24Å; D416-T418 WeakPolarHBondContact OD1-CB 3.3Å; D416-T418 WeakPolarHBondContact OD1-CG2 3.28Å; D416-T418 PolarHBondContact OD1-N 3.35Å; D416-T418 PolarHBondContact OD1-OG1 3.11Å; D416-T418 PolarHBondContact OD2-OG1 3.37Å; D416-T418 VanDerWaalsContact OD2-OG1 3.08Å; D416-T419 HydrophobicContact CB-CG2 4.06Å; D416-T419 WeakPolarHBondContact O-CB 3.3Å; D416-T419 PolarHBondContact O-N 2.96Å; D416-T419 PolarHBondContact O-OG1 2.86Å
417V72.5Confident74.4Confident34 Ų3448.3 Ų48.321%0.20625%0.247CC..THydrogen-bonded Turntrans-73.1-6.5-179.7-52.10000113.6N361 L362 G364 R422N361-V417 WeakPolarHBondContact O-CG2 3.28Å; N361-V417 PolarHBondContact O-N 3.01Å; L362-V417 HydrophobicContact CD2-CG1 4.38Å; G364-V417 VanDerWaalsContact N-CG2 3.3Å; V417-R422 PolarHBondContact O-NH1 3.14Å; V417-R422 VanDerWaalsContact O-NH1 3.14Å
418T66.5Low72.1Confident36 Ų3656.9 Ų56.922%0.22129%0.287CS..THydrogen-bonded Turntrans-75.5-11.1166.472.60000112.1N361 G364 D416N361-T418 WeakPolarHBondContact ND2-CG2 3.37Å; G364-T418 VanDerWaalsContact O-CG2 3.24Å; G364-T418 WeakPolarHBondContact O-CG2 3.5Å; D416-T418 PolarHBondContact O-N 3.22Å; D416-T418 WeakPolarHBondContact OD1-CA 3.48Å; D416-T418 VanDerWaalsContact OD1-CB 3.24Å; D416-T418 WeakPolarHBondContact OD1-CB 3.3Å; D416-T418 WeakPolarHBondContact OD1-CG2 3.28Å; D416-T418 PolarHBondContact OD1-N 3.35Å; D416-T418 PolarHBondContact OD1-OG1 3.11Å; D416-T418 PolarHBondContact OD2-OG1 3.37Å; D416-T418 VanDerWaalsContact OD2-OG1 3.08Å
419T67.5Low69.7Low26 Ų2658.8 Ų58.816%0.1630%0.301CS..SBendtrans-98.2-167.9168.479.40000111.3G413 D416 W421 R422G413-T419 WeakPolarHBondContact CA-OG1 3.38Å; G413-T419 PolarHBondContact O-OG1 3.49Å; G413-T419 VanDerWaalsContact O-OG1 3.13Å; D416-T419 HydrophobicContact CB-CG2 4.06Å; D416-T419 WeakPolarHBondContact O-CB 3.3Å; D416-T419 PolarHBondContact O-N 2.96Å; D416-T419 PolarHBondContact O-OG1 2.86Å; T419-W421 VanDerWaalsContact C-N 3.25Å; T419-W421 WeakPolarHBondContact OG1-CB 3.49Å; T419-W421 PolarHBondContact OG1-N 3.39Å; T419-W421 VanDerWaalsContact OG1-N 3.14Å; T419-R422 PolarHBondContact O-NH1 2.95Å; T419-R422 PolarHBondContact O-NH2 3.08Å
420S63.2Low67Low59 Ų5961.6 Ų61.641%0.41332%0.318SS..SBendtrans-75-13.6172.432.60000113R114 D126 R422R114-S420 PolarHBondContact NH2-OG 3.35Å; D126-S420 VanDerWaalsContact OD2-CB 3.22Å; D126-S420 WeakPolarHBondContact OD2-CB 3.38Å; D126-S420 PolarHBondContact OD2-OG 3.2Å; S420-R422 PolarHBondContact O-N 2.98Å
421W73Confident64.6Low26 Ų2663.2 Ų63.210%0.09833%0.328CS..  trans-63.6129.8-175.7-17688.5000112.7F191 L362 F379 G413 F414 G415 T419 F423F191-W421 HydrophobicContact CE1-CZ2 4.49Å; F191-W421 AromaticContact CZ-CZ2 3.9Å; F191-W421 HydrophobicContact CZ-CZ2 3.9Å; L362-W421 HydrophobicContact CD2-CZ3 3.94Å; F379-W421 AromaticContact CE1-CH2 3.35Å; F379-W421 HydrophobicContact CE1-CH2 3.35Å; F379-W421 AromaticContact CE1-CZ2 3.43Å; F379-W421 HydrophobicContact CE1-CZ2 3.43Å; F379-W421 VanDerWaalsContact CE1-CZ2 3.43Å; F379-W421 HydrophobicContact CE1-CZ3 4.29Å; F379-W421 AromaticContact CZ-CH2 3.29Å; F379-W421 HydrophobicContact CZ-CH2 3.29Å; F379-W421 AromaticContact CZ-CZ2 3.9Å; F379-W421 HydrophobicContact CZ-CZ2 3.9Å; F379-W421 AromaticContact CZ-CZ3 3.92Å; F379-W421 HydrophobicContact CZ-CZ3 3.92Å; G413-W421 WeakPolarHBondContact O-CB 3.44Å; F414-W421 VanDerWaalsContact CA-CD1 3.48Å; F414-W421 AromaticContact CD2-CD1 3.68Å; F414-W421 AromaticContact CD2-CE2 3.84Å; F414-W421 HydrophobicContact CD2-CZ2 4.36Å; F414-W421 AromaticContact CD2-NE1 3.03Å; F414-W421 AromaticContact CE2-CE2 3.98Å; F414-W421 HydrophobicContact CE2-CZ2 4.06Å; F414-W421 AromaticContact CE2-NE1 3.41Å; F414-W421 AromaticContact CG-NE1 3.78Å; F414-W421 HydrophobicContact CZ-CZ2 4.36Å; G415-W421 VanDerWaalsContact CA-CE3 3.44Å; G415-W421 VanDerWaalsContact N-CE2 3.33Å; T419-W421 VanDerWaalsContact C-N 3.25Å; T419-W421 WeakPolarHBondContact OG1-CB 3.49Å; T419-W421 PolarHBondContact OG1-N 3.39Å; T419-W421 VanDerWaalsContact OG1-N 3.14Å; W421-F423 HydrophobicContact CH2-CD1 4.07Å; W421-F423 AromaticContact CH2-CD2 3.91Å; W421-F423 HydrophobicContact CH2-CD2 3.91Å; W421-F423 HydrophobicContact CH2-CE1 4.07Å; W421-F423 AromaticContact CH2-CE2 3.91Å; W421-F423 HydrophobicContact CH2-CE2 3.91Å; W421-F423 AromaticContact CH2-CG 3.99Å; W421-F423 HydrophobicContact CH2-CG 3.99Å; W421-F423 AromaticContact CH2-CZ 3.98Å; W421-F423 HydrophobicContact CH2-CZ 3.98Å; W421-F423 HydrophobicContact CZ3-CD2 4.21Å; W421-F423 HydrophobicContact CZ3-CE2 4.27Å
422R73.9Confident62.4Low102 Ų10267.6 Ų67.639%0.38535%0.346SS..  trans-134.7158173.9-61.4-65.5175.9-86.7-8.8109V417 T419 S420V417-R422 PolarHBondContact O-NH1 3.14Å; V417-R422 VanDerWaalsContact O-NH1 3.14Å; T419-R422 PolarHBondContact O-NH1 2.95Å; T419-R422 PolarHBondContact O-NH2 3.08Å; S420-R422 PolarHBondContact O-N 2.98Å
423F71.1Confident60.4Low53 Ų5367.5 Ų67.523%0.23235%0.354CS..  trans-57.9143.5163-80.9-76.8000109.7L190 F191 L362 H378 F379 W421 Y427L190-F423 HydrophobicContact CD2-CD1 4.2Å; F191-F423 HydrophobicContact CE2-CD1 4.25Å; F191-F423 AromaticContact CE2-CE1 3.99Å; F191-F423 HydrophobicContact CE2-CE1 3.99Å; F191-F423 HydrophobicContact CZ-CD1 4.18Å; F191-F423 HydrophobicContact CZ-CE1 4.34Å; L362-F423 HydrophobicContact CD1-CE2 4.33Å; L362-F423 HydrophobicContact CD2-CE2 4.4Å; H378-F423 HydrophobicContact CB-CE1 4.19Å; H378-F423 HydrophobicContact CB-CZ 3.88Å; F379-F423 HydrophobicContact CD2-CZ 4.37Å; F379-F423 HydrophobicContact CE1-CZ 4.4Å; F379-F423 HydrophobicContact CE2-CE1 4.46Å; F379-F423 HydrophobicContact CE2-CE2 4.48Å; F379-F423 AromaticContact CE2-CZ 3.73Å; F379-F423 HydrophobicContact CE2-CZ 3.73Å; F379-F423 HydrophobicContact CZ-CE1 4.3Å; F379-F423 HydrophobicContact CZ-CE2 4.36Å; F379-F423 AromaticContact CZ-CZ 3.76Å; F379-F423 HydrophobicContact CZ-CZ 3.76Å; W421-F423 HydrophobicContact CH2-CD1 4.07Å; W421-F423 AromaticContact CH2-CD2 3.91Å; W421-F423 HydrophobicContact CH2-CD2 3.91Å; W421-F423 HydrophobicContact CH2-CE1 4.07Å; W421-F423 AromaticContact CH2-CE2 3.91Å; W421-F423 HydrophobicContact CH2-CE2 3.91Å; W421-F423 AromaticContact CH2-CG 3.99Å; W421-F423 HydrophobicContact CH2-CG 3.99Å; W421-F423 AromaticContact CH2-CZ 3.98Å; W421-F423 HydrophobicContact CH2-CZ 3.98Å; W421-F423 HydrophobicContact CZ3-CD2 4.21Å; W421-F423 HydrophobicContact CZ3-CE2 4.27Å; F423-Y427 HydrophobicContact CB-CD2 4.37Å; F423-Y427 HydrophobicContact CB-CG 4.07Å; F423-Y427 HydrophobicContact CD1-CD1 4.45Å; F423-Y427 AromaticContact CD1-CD2 3.46Å; F423-Y427 HydrophobicContact CD1-CD2 3.46Å; F423-Y427 VanDerWaalsContact CD1-CD2 3.46Å; F423-Y427 AromaticContact CD1-CE2 3.64Å; F423-Y427 HydrophobicContact CD1-CE2 3.64Å; F423-Y427 AromaticContact CD1-CG 3.92Å; F423-Y427 HydrophobicContact CD1-CG 3.92Å; F423-Y427 HydrophobicContact CE1-CD2 4.01Å; F423-Y427 AromaticContact CE1-CE2 3.68Å; F423-Y427 HydrophobicContact CE1-CE2 3.68Å; F423-Y427 HydrophobicContact CG-CD1 4.45Å; F423-Y427 HydrophobicContact CG-CD2 4.13Å; F423-Y427 HydrophobicContact CG-CG 4.13Å
424P64Low58.2Low48 Ų4870.3 Ų70.331%0.31236%0.364SS..  trans-51.2144.3171.2-28.136.4000112L190 D426 Y427L190-P424 HydrophobicContact CD1-CG 4.33Å; P424-D426 WeakPolarHBondContact CB-OD1 3.33Å; P424-D426 PolarHBondContact O-N 2.94Å; P424-D426 VanDerWaalsContact O-N 3.13Å; P424-Y427 WeakPolarHBondContact O-CB 3.15Å; P424-Y427 PolarHBondContact O-N 2.73Å
425E55.3Low55.8Low209 Ų20974 Ų7498%0.97739%0.39SS*.THydrogen-bonded Turntrans-59.2-28-176.4-67.5-174.9164.400113Y427E425-Y427 VanDerWaalsContact C-N 3.3Å; E425-Y427 PolarHBondContact O-N 3.1Å
426D54.3Low53.6Low71 Ų7177.1 Ų77.138%0.3842%0.416SS..THydrogen-bonded Turntrans-879.4177.873.3-50.7000113.6P424 Q428 S429 K434P424-D426 WeakPolarHBondContact CB-OD1 3.33Å; P424-D426 PolarHBondContact O-N 2.94Å; P424-D426 VanDerWaalsContact O-N 3.13Å; D426-Q428 VanDerWaalsContact C-N 3.25Å; D426-Q428 PolarHBondContact O-N 2.86Å; D426-S429 WeakPolarHBondContact O-CB 3.37Å; D426-S429 PolarHBondContact O-N 3.17Å; D426-S429 PolarHBondContact O-OG 3.15Å; D426-K434 PolarHBondContact O-NZ 3.46Å; D426-K434 WeakPolarHBondContact OD2-CE 3.48Å; D426-K434 IonicContact OD2-NZ 3.77Å; D426-K434 PolarHBondContact OD2-NZ 2.73Å
427Y50.8Low51.4Low70 Ų7085.8 Ų85.828%0.27545%0.448SS..THydrogen-bonded Turntrans-52.3-40.7180179.8-105.1000113.5L190 H378 F423 P424 E425L190-Y427 HydrophobicContact CD2-CD2 3.29Å; L190-Y427 HydrophobicContact CD2-CE2 3.52Å; H378-Y427 WeakPolarHBondContact CB-OH 3.16Å; H378-Y427 AromaticContact CD2-CE1 3.85Å; H378-Y427 AromaticContact CD2-CZ 3.51Å; H378-Y427 PolarHBondContact CD2-OH 3.39Å; H378-Y427 PolarHBondContact NE2-OH 2.76Å; F423-Y427 HydrophobicContact CB-CD2 4.37Å; F423-Y427 HydrophobicContact CB-CG 4.07Å; F423-Y427 HydrophobicContact CD1-CD1 4.45Å; F423-Y427 AromaticContact CD1-CD2 3.46Å; F423-Y427 HydrophobicContact CD1-CD2 3.46Å; F423-Y427 VanDerWaalsContact CD1-CD2 3.46Å; F423-Y427 AromaticContact CD1-CE2 3.64Å; F423-Y427 HydrophobicContact CD1-CE2 3.64Å; F423-Y427 AromaticContact CD1-CG 3.92Å; F423-Y427 HydrophobicContact CD1-CG 3.92Å; F423-Y427 HydrophobicContact CE1-CD2 4.01Å; F423-Y427 AromaticContact CE1-CE2 3.68Å; F423-Y427 HydrophobicContact CE1-CE2 3.68Å; F423-Y427 HydrophobicContact CG-CD1 4.45Å; F423-Y427 HydrophobicContact CG-CD2 4.13Å; F423-Y427 HydrophobicContact CG-CG 4.13Å; P424-Y427 WeakPolarHBondContact O-CB 3.15Å; P424-Y427 PolarHBondContact O-N 2.73Å; E425-Y427 VanDerWaalsContact C-N 3.3Å; E425-Y427 PolarHBondContact O-N 3.1Å
428Q44.1Very low49.3Very low183 Ų18391.8 Ų91.886%0.85547%0.471SS*.THydrogen-bonded Turntrans-87.1-3.1-178.4-64.6-177-8.700113.6D426D426-Q428 VanDerWaalsContact C-N 3.25Å; D426-Q428 PolarHBondContact O-N 2.86Å
429S44.2Very low47.5Very low41 Ų4193.9 Ų93.929%0.28748%0.484SS..SBendtrans-73.6135.2-17866.50000111.2D426 I431 K434D426-S429 WeakPolarHBondContact O-CB 3.37Å; D426-S429 PolarHBondContact O-N 3.17Å; D426-S429 PolarHBondContact O-OG 3.15Å; S429-I431 PolarHBondContact O-N 3.18Å; S429-K434 WeakPolarHBondContact OG-CE 3.43Å
430P36.1Very low45.7Very low94 Ų9495 Ų9561%0.6150%0.496SS*.  trans-55.8137.3174.3-24.533.4000111.6E432 A433P430-E432 PolarHBondContact O-N 3.48Å; P430-A433 WeakPolarHBondContact O-CB 3.37Å; P430-A433 PolarHBondContact O-N 3.26Å
431I38.5Very low43.9Very low109 Ų10999 Ų9956%0.55951%0.512SS*.THydrogen-bonded Turntrans-53.2-31.3-176.1-64.4170000112.2A187 S429 A433 K434A187-I431 HydrophobicContact CB-CD1 4.46Å; S429-I431 PolarHBondContact O-N 3.18Å; I431-A433 PolarHBondContact O-N 2.99Å; I431-K434 WeakPolarHBondContact O-CB 3.27Å; I431-K434 PolarHBondContact O-N 3.43Å
432E37.4Very low41.8Very low175 Ų175101.8 Ų101.882%0.81853%0.532SS*.Hα-helixtrans-60.3-30.8178.3-65.4177.3178.100113.3P430 K434P430-E432 PolarHBondContact O-N 3.48Å; E432-K434 VanDerWaalsContact C-N 3.29Å; E432-K434 PolarHBondContact O-N 2.85Å
433A36.1Very low39.6Very low59 Ų59100.8 Ų100.849%0.48854%0.541SS..Hα-helixtrans-73.4-19.617500000113P430 I431P430-A433 WeakPolarHBondContact O-CB 3.37Å; P430-A433 PolarHBondContact O-N 3.26Å; I431-A433 PolarHBondContact O-N 2.99Å
434K32.3Very low37.4Very low67 Ų67105.3 Ų105.329%0.29157%0.567SS.*Hα-helixtrans-82.2-37.3-177.3-60.5-169.3179.7-157.30112.6D426 S429 I431 E432 A436 R437 F438D426-K434 PolarHBondContact O-NZ 3.46Å; D426-K434 WeakPolarHBondContact OD2-CE 3.48Å; D426-K434 IonicContact OD2-NZ 3.77Å; D426-K434 PolarHBondContact OD2-NZ 2.73Å; S429-K434 WeakPolarHBondContact OG-CE 3.43Å; I431-K434 WeakPolarHBondContact O-CB 3.27Å; I431-K434 PolarHBondContact O-N 3.43Å; E432-K434 VanDerWaalsContact C-N 3.29Å; E432-K434 PolarHBondContact O-N 2.85Å; K434-A436 VanDerWaalsContact C-N 3.3Å; K434-A436 PolarHBondContact O-N 3.41Å; K434-R437 PolarHBondContact O-N 2.79Å; K434-F438 PolarHBondContact O-N 3.42Å
435S32.5Very low35.6Very low80 Ų80111.7 Ų111.756%0.55959%0.59SS**Hα-helixtrans-60.9-39.3176.1-1720000111.7R437 F438 T439S435-R437 VanDerWaalsContact C-N 3.33Å; S435-R437 PolarHBondContact O-N 3.38Å; S435-F438 PolarHBondContact O-N 3.31Å; S435-T439 WeakPolarHBondContact O-CB 3.38Å; S435-T439 PolarHBondContact O-N 3.44Å; S435-T439 PolarHBondContact O-OG1 2.89Å
436A33.4Very low34.1Very low66 Ų66110.1 Ų110.155%0.54558%0.583SS.*Hα-helixtrans-62.8-35.1178.100000113.3K434 A440K434-A436 VanDerWaalsContact C-N 3.3Å; K434-A436 PolarHBondContact O-N 3.41Å; A436-A440 WeakPolarHBondContact O-CB 3.35Å; A436-A440 PolarHBondContact O-N 3.49Å
437R32Very low32.7Very low193 Ų193114.6 Ų114.673%0.72861%0.607SS**Hα-helixtrans-78.4-35179-104.8-175.6175.8-176.2-0.9113.6K434 S435 T439 A440 L441K434-R437 PolarHBondContact O-N 2.79Å; S435-R437 VanDerWaalsContact C-N 3.33Å; S435-R437 PolarHBondContact O-N 3.38Å; R437-T439 VanDerWaalsContact C-N 3.26Å; R437-A440 PolarHBondContact O-N 3.14Å; R437-L441 PolarHBondContact O-N 2.63Å
438F28.6Very low31.4Very low161 Ų161115.9 Ų115.971%0.70663%0.625SS**Hα-helixtrans-68.6-32.1173.6-139.8-90.2000111.2K434 S435 T442K434-F438 PolarHBondContact O-N 3.42Å; S435-F438 PolarHBondContact O-N 3.31Å; F438-T442 WeakPolarHBondContact O-CG2 3.14Å; F438-T442 PolarHBondContact O-N 3.22Å; F438-T442 PolarHBondContact O-OG1 2.95Å
439T30Very low30.4Very low80 Ų80114.1 Ų114.149%0.49162%0.622SS.*Hα-helixtrans-71.7-37.8171.3-38.90000111.5S435 R437 T442 S443S435-T439 WeakPolarHBondContact O-CB 3.38Å; S435-T439 PolarHBondContact O-N 3.44Å; S435-T439 PolarHBondContact O-OG1 2.89Å; R437-T439 VanDerWaalsContact C-N 3.26Å; T439-T442 WeakPolarHBondContact CA-OG1 3.25Å; T439-T442 PolarHBondContact O-N 3.2Å; T439-T442 PolarHBondContact O-OG1 3.01Å; T439-S443 PolarHBondContact O-N 3.43Å; T439-S443 PolarHBondContact O-OG 2.7Å
440A28.4Very low29.4Very low48 Ų48120.1 Ų120.140%0.39765%0.649SS.*Hα-helixtrans-67.3-36.9175.800000113.2A436 R437 T442 S443A436-A440 WeakPolarHBondContact O-CB 3.35Å; A436-A440 PolarHBondContact O-N 3.49Å; R437-A440 PolarHBondContact O-N 3.14Å; A440-T442 PolarHBondContact O-N 3.48Å; A440-S443 WeakPolarHBondContact CA-OG 3.47Å; A440-S443 PolarHBondContact O-N 3.33Å; A440-S443 PolarHBondContact O-OG 3.12Å
441L27Very low28.7Very low145 Ų145127.3 Ų127.376%0.75967%0.666SS**Hα-helixtrans-69.6-15.5173.9-82.3157.9000113.3R437R437-L441 PolarHBondContact O-N 2.63Å
442T27.4Very low27.8Very low84 Ų84125 Ų12552%0.51567%0.669SS.*Hα-helixtrans-102.6-11.6176.650.10000113.5F438 T439 A440F438-T442 WeakPolarHBondContact O-CG2 3.14Å; F438-T442 PolarHBondContact O-N 3.22Å; F438-T442 PolarHBondContact O-OG1 2.95Å; T439-T442 WeakPolarHBondContact CA-OG1 3.25Å; T439-T442 PolarHBondContact O-N 3.2Å; T439-T442 PolarHBondContact O-OG1 3.01Å; A440-T442 PolarHBondContact O-N 3.48Å
443S27.6Very low27.1Very low81 Ų81124.1 Ų124.157%0.56667%0.67SS**Hα-helixtrans-91.4-15.3177.359.40000115T439 A440 K445T439-S443 PolarHBondContact O-N 3.43Å; T439-S443 PolarHBondContact O-OG 2.7Å; A440-S443 WeakPolarHBondContact CA-OG 3.47Å; A440-S443 PolarHBondContact O-N 3.33Å; A440-S443 PolarHBondContact O-OG 3.12Å; S443-K445 PolarHBondContact O-N 3.12Å
444D24.9Very low26.4Very low147 Ų147130 Ų13079%0.78669%0.692SS**  trans-82.254.7168.8-77.5-17.2000111.2Q446D444-Q446 VanDerWaalsContact C-N 3.31Å; D444-Q446 PolarHBondContact O-N 3.25Å
445K27.2Very low25.9Very low183 Ų183135.1 Ų135.180%0.79672%0.717SS**  trans-92.164.9159.8-81.4-172.9176.6179.50109.2S443S443-K445 PolarHBondContact O-N 3.12Å
446Q24.2Very low25.5Very low176 Ų176139.4 Ų139.482%0.82273%0.728SS**  trans-142.161.1166.4-75.4-84-32.700108.3D444D444-Q446 VanDerWaalsContact C-N 3.31Å; D444-Q446 PolarHBondContact O-N 3.25Å
447N23.5Very low25Very low165 Ų165144.1 Ų144.188%0.88274%0.744SS**  trans-155.888.1148.6-107.4-14.2000108.9
448S23.5Very low24.5Very low96 Ų96141.1 Ų141.167%0.67174%0.743SS**  trans-61.1150.7166.3480000111.8
449N22.6Very low24.3Very low146 Ų146140.5 Ų140.578%0.78175%0.747SS**  trans87.166.9155.3-55.8-17000118.8
450I23.8Very low24Very low167 Ų167142.7 Ų142.786%0.85676%0.76SS**  trans-14061136.1-48.1178.4000108.8
451Y21Very low23.7Very low245 Ų245147.4 Ų147.496%0.96178%0.784SS**  trans-128.283.4158.5-89.5-82.5000106.4
452G21.5Very low23.5Very low60 Ų60144.8 Ų144.862%0.61977%0.774SS**  trans-17472.7-176.900000108.6
453N21.9Very low23.3Very low158 Ų158145.7 Ų145.785%0.84578%0.78SS**  trans-179.480.4142.9-86.3-18.9000108.5Q455N453-Q455 VanDerWaalsContact C-N 3.34Å; N453-Q455 PolarHBondContact O-N 2.95Å
454L20.3Very low23.2Very low182 Ų182149.2 Ų149.295%0.95379%0.791SS**  trans-65.299.6145.6-79.3150.2000106.5
455Q23.3Very low23.3Very low174 Ų174148 Ų14881%0.81379%0.789SS**  trans-122.9115.1151.1-80.7-163.1-6.200108.6N453 N457N453-Q455 VanDerWaalsContact C-N 3.34Å; N453-Q455 PolarHBondContact O-N 2.95Å; Q455-N457 PolarHBondContact O-N 3.3Å
456E22.6Very low23.4Very low170 Ų170143.8 Ų143.879%0.79478%0.779SS**  trans-16.2113.1160.7-62.8173.1154.700114.5
457N22.9Very low23.6Very low166 Ų166140.7 Ų140.789%0.88877%0.768SS**  trans-13579.9138.4-91.4-26.2000106.7Q455Q455-N457 PolarHBondContact O-N 3.3Å
458N21.7Very low23.9Very low130 Ų130138.5 Ų138.570%0.69576%0.756SS**  trans-58.4145.4159.9-73.7-32.4000108.6
459N24.6Very low24.3Very low147 Ų147139.5 Ų139.579%0.78675%0.754SS**  trans96.773.8171.7-49.5-20.9000115.6
460T24.4Very low24.8Very low126 Ų126139.5 Ų139.577%0.77375%0.749SS**  -171.576116.519.10000109.5T462T460-T462 WeakPolarHBondContact CG2-OG1 3.27Å; T460-T462 PolarHBondContact O-N 3.05Å
461T22Very low25.1Very low147 Ų147136.4 Ų136.490%0.90273%0.734SS**  trans-68.765.9150.2-47.60000107.4T463T461-T463 PolarHBondContact O-N 3.45Å; T461-T463 VanDerWaalsContact O-N 3.16Å
462T23.1Very low25.5Very low90 Ų90129.5 Ų129.555%0.55271%0.712SS**  trans-78.4100.4168-53.80000105.2T460 I464T460-T462 WeakPolarHBondContact CG2-OG1 3.27Å; T460-T462 PolarHBondContact O-N 3.05Å; T462-I464 WeakPolarHBondContact O-CG1 3.37Å; T462-I464 PolarHBondContact O-N 3.29Å
463T22.8Very low26Very low103 Ų103129.5 Ų129.563%0.63270%0.703SS**  trans-25.198.3157.235.20000111.5T461 T465T461-T463 PolarHBondContact O-N 3.45Å; T461-T463 VanDerWaalsContact O-N 3.16Å; T463-T465 PolarHBondContact O-N 3.07Å
464I25.3Very low26.5Very low155 Ų155124.5 Ų124.580%0.79568%0.68SS**THydrogen-bonded Turntrans-77.872.5172.6-52.5178.2000106.4T462T462-I464 WeakPolarHBondContact O-CG1 3.37Å; T462-I464 PolarHBondContact O-N 3.29Å
465T26.3Very low27Very low121 Ų121120 Ų12074%0.74266%0.656SS**THydrogen-bonded Turntrans-130.34.3170.6-29.10000111.8T463T463-T465 PolarHBondContact O-N 3.07Å
466T29.3Very low27.4Very low96 Ų96115 Ų11559%0.58964%0.639SS**SBendtrans-116.9-5.4-177.1-5.80000115.5
467N30.2Very low27.8Very low111 Ų111109.4 Ų109.459%0.59462%0.615SS**Hα-helixtrans-84.8-20.9-179.2-82.73.9000115L471N467-L471 WeakPolarHBondContact O-CB 3.28Å; N467-L471 PolarHBondContact O-N 2.96Å; N467-L471 VanDerWaalsContact O-N 3.07Å
468N29.5Very low28.4Very low118 Ų118107.6 Ų107.663%0.63161%0.606SS**Hα-helixtrans-70-36.5178-79.2-7.7000111.7L471 I472N468-L471 PolarHBondContact O-N 3.25Å; N468-I472 HydrophobicContact CB-CD1 4.46Å; N468-I472 VanDerWaalsContact O-CB 3.23Å; N468-I472 WeakPolarHBondContact O-CB 3.4Å; N468-I472 VanDerWaalsContact O-CD1 3.27Å; N468-I472 WeakPolarHBondContact O-CD1 3.35Å; N468-I472 WeakPolarHBondContact O-CG1 3.42Å; N468-I472 PolarHBondContact O-N 3.4Å
469N30.3Very low29.1Very low118 Ų118107 Ų10763%0.63160%0.602SS**Hα-helixtrans-72.9-33.4-179.8-71-11.4000112.9S473N469-S473 WeakPolarHBondContact O-CB 3.16Å; N469-S473 PolarHBondContact O-N 3.17Å
470Q33.1Very low29.4Very low146 Ų146105.1 Ų105.168%0.68259%0.591SS**Hα-helixtrans-71.9-37173.1-72.3-163.6-16.900112.2S473 S474Q470-S473 PolarHBondContact O-N 3.37Å; Q470-S474 WeakPolarHBondContact O-CB 3.49Å; Q470-S474 PolarHBondContact O-N 2.92Å
471L31Very low29.7Very low102 Ų102103.2 Ų103.253%0.53458%0.58SS.*Hα-helixtrans-67.9-38.8173.5-163.576.4000111.7N467 N468 I475N467-L471 WeakPolarHBondContact O-CB 3.28Å; N467-L471 PolarHBondContact O-N 2.96Å; N467-L471 VanDerWaalsContact O-N 3.07Å; N468-L471 PolarHBondContact O-N 3.25Å; L471-I475 HydrophobicContact CD1-CD1 4.35Å; L471-I475 HydrophobicContact CD2-CD1 4.34Å; L471-I475 HydrophobicContact CG-CD1 3.84Å; L471-I475 WeakPolarHBondContact O-CB 3.5Å; L471-I475 VanDerWaalsContact O-CG1 3.25Å; L471-I475 WeakPolarHBondContact O-CG1 3.1Å; L471-I475 PolarHBondContact O-N 2.93Å
472I29Very low30.1Very low99 Ų99103.3 Ų103.351%0.50857%0.57SS.*Hα-helixtrans-64.8-40.6174.6-71.9163.8000110.8N468 C476N468-I472 HydrophobicContact CB-CD1 4.46Å; N468-I472 VanDerWaalsContact O-CB 3.23Å; N468-I472 WeakPolarHBondContact O-CB 3.4Å; N468-I472 VanDerWaalsContact O-CD1 3.27Å; N468-I472 WeakPolarHBondContact O-CD1 3.35Å; N468-I472 WeakPolarHBondContact O-CG1 3.42Å; N468-I472 PolarHBondContact O-N 3.4Å; I472-C476 VanDerWaalsContact O-CB 3.24Å; I472-C476 WeakPolarHBondContact O-CB 3.3Å; I472-C476 PolarHBondContact O-N 2.93Å; I472-C476 VanDerWaalsContact O-N 3.12Å; I472-C476 PolarHBondContact O-SG 3.23Å
473S32.2Very low30.4Very low60 Ų60104 Ų10442%0.4258%0.578SS.*Hα-helixtrans-69.3-44.5176.5175.40000112.1N469 Q470 N477N469-S473 WeakPolarHBondContact O-CB 3.16Å; N469-S473 PolarHBondContact O-N 3.17Å; Q470-S473 PolarHBondContact O-N 3.37Å; S473-N477 WeakPolarHBondContact O-CB 3.3Å; S473-N477 PolarHBondContact O-N 3.07Å; S473-N477 PolarHBondContact O-ND2 2.92Å; S473-N477 PolarHBondContact OG-ND2 3.24Å
474S32.7Very low30.8Very low53 Ų53104.8 Ų104.837%0.37158%0.575SS.*Hα-helixtrans-60.6-49.1176.9151.30000111.8Q470 C476 N477 D478Q470-S474 WeakPolarHBondContact O-CB 3.49Å; Q470-S474 PolarHBondContact O-N 2.92Å; S474-C476 PolarHBondContact O-N 3.19Å; S474-N477 PolarHBondContact O-N 2.77Å; S474-D478 PolarHBondContact O-N 3.3Å
475I31.8Very low31.2Very low88 Ų88107 Ų10745%0.45158%0.575SS.*Hα-helixtrans-70.2-35.4-175.8-64.7170.6000111.7L471 L479L471-I475 HydrophobicContact CD1-CD1 4.35Å; L471-I475 HydrophobicContact CD2-CD1 4.34Å; L471-I475 HydrophobicContact CG-CD1 3.84Å; L471-I475 WeakPolarHBondContact O-CB 3.5Å; L471-I475 VanDerWaalsContact O-CG1 3.25Å; L471-I475 WeakPolarHBondContact O-CG1 3.1Å; L471-I475 PolarHBondContact O-N 2.93Å; I475-L479 HydrophobicContact CG2-CD1 4.16Å; I475-L479 WeakPolarHBondContact O-CG 3.47Å; I475-L479 PolarHBondContact O-N 3.41Å
476C29.9Very low31.8Very low68 Ų68107.1 Ų107.146%0.45957%0.565SS.*Hα-helixtrans-69.8-37.2174-72.60000111.9I472 S474 L480I472-C476 VanDerWaalsContact O-CB 3.24Å; I472-C476 WeakPolarHBondContact O-CB 3.3Å; I472-C476 PolarHBondContact O-N 2.93Å; I472-C476 VanDerWaalsContact O-N 3.12Å; I472-C476 PolarHBondContact O-SG 3.23Å; S474-C476 PolarHBondContact O-N 3.19Å; C476-L480 PolarHBondContact O-N 3.31Å
477N30.9Very low32.4Very low53 Ų53108.8 Ų108.828%0.28357%0.566SS.*Hα-helixtrans-71.1-35.7178.7-74.9-17.5000112.7S473 S474 L479 L480 T481S473-N477 WeakPolarHBondContact O-CB 3.3Å; S473-N477 PolarHBondContact O-N 3.07Å; S473-N477 PolarHBondContact O-ND2 2.92Å; S473-N477 PolarHBondContact OG-ND2 3.24Å; S474-N477 PolarHBondContact O-N 2.77Å; N477-L479 VanDerWaalsContact C-N 3.34Å; N477-L480 CarbonylContact O-C 3.58Å; N477-T481 PolarHBondContact O-N 2.79Å; N477-T481 VanDerWaalsContact O-N 3.14Å
478D36.2Very low33Very low129 Ų129105 Ų10569%0.6955%0.549SS*.Hα-helixtrans-72.3-29.5177.9-66.7-22.9000112.3S474S474-D478 PolarHBondContact O-N 3.3Å
479L36.3Very low33.9Very low116 Ų116103.1 Ų103.161%0.60754%0.535SS*.Hα-helixtrans-85.8-29176.7-71.8168.7000112.5I475 N477I475-L479 HydrophobicContact CG2-CD1 4.16Å; I475-L479 WeakPolarHBondContact O-CG 3.47Å; I475-L479 PolarHBondContact O-N 3.41Å; N477-L479 VanDerWaalsContact C-N 3.34Å
480L32.1Very low34.9Very low109 Ų109101.6 Ų101.657%0.57153%0.532SS*.SBendtrans-151.392-179.5-67.4171.1000109.6K102 C476 N477 E482K102-L480 HydrophobicContact CD-CD2 4.42Å; C476-L480 PolarHBondContact O-N 3.31Å; N477-L480 CarbonylContact O-C 3.58Å; L480-E482 PolarHBondContact O-N 2.8Å
481T29Very low35.6Very low86 Ų8698 Ų9853%0.52852%0.52SS..  trans-58122.117049.90000110.1N477 S483N477-T481 PolarHBondContact O-N 2.79Å; N477-T481 VanDerWaalsContact O-N 3.14Å; T481-S483 PolarHBondContact O-N 2.61Å
482E32.3Very low36.4Very low148 Ų14893.7 Ų93.769%0.69250%0.497SS*.THydrogen-bonded Turntrans-56.1-14.9-174.9-75.2-178.5146.500115.1L480 Q484L480-E482 PolarHBondContact O-N 2.8Å; E482-Q484 PolarHBondContact O-N 3.49Å
483S28.6Very low37.4Very low105 Ų10592.3 Ų92.373%0.73449%0.488SS*.THydrogen-bonded Turntrans-84.80.9-172.162.10000115.9T481T481-S483 PolarHBondContact O-N 2.61Å
484Q31Very low38.5Very low119 Ų11993.9 Ų93.956%0.55649%0.489SS*.  trans-129.563.8176.7-66.9-173.9-0.900112.7E482 F486E482-Q484 PolarHBondContact O-N 3.49Å; Q484-F486 VanDerWaalsContact C-N 3.27Å; Q484-F486 HydrophobicContact CB-CD2 4.43Å; Q484-F486 HydrophobicContact CB-CE2 4.46Å; Q484-F486 PolarHBondContact O-N 2.67Å
485Y33.6Very low39.4Very low202 Ų20296 Ų9679%0.79249%0.493SS*.  trans-61.688.4158-86.2-90000109.7
486F39.9Very low40.3Very low123 Ų12392.9 Ų92.954%0.53948%0.477SS..  trans-78.3116.2154.8-79.4-83.5000107.3Q484 S488 P672Q484-F486 VanDerWaalsContact C-N 3.27Å; Q484-F486 HydrophobicContact CB-CD2 4.43Å; Q484-F486 HydrophobicContact CB-CE2 4.46Å; Q484-F486 PolarHBondContact O-N 2.67Å; F486-S488 PolarHBondContact O-N 3.26Å; F486-S488 PolarHBondContact O-OG 2.89Å; F486-P672 HydrophobicContact CE1-CB 4.18Å
487E41.9Very low41.4Very low132 Ų13295.2 Ų95.262%0.61748%0.484SS*.  trans-56.273.2176.4-70.9167.4-170.700111.2K675E487-K675 IonicContact OE1-NZ 3.58Å; E487-K675 PolarHBondContact OE1-NZ 2.97Å
488S42.2Very low42.5Very low32 Ų3298 Ų9822%0.22449%0.494CS..  trans-79.3142.316843.80000109F486 Q493F486-S488 PolarHBondContact O-N 3.26Å; F486-S488 PolarHBondContact O-OG 2.89Å; S488-Q493 VanDerWaalsContact O-CD 3.3Å; S488-Q493 PolarHBondContact O-NE2 2.76Å; S488-Q493 VanDerWaalsContact OG-CG 3.31Å; S488-Q493 WeakPolarHBondContact OG-CG 3.43Å; S488-Q493 PolarHBondContact OG-NE2 3.49Å
489H48.7Very low43.2Very low77 Ų7793.2 Ų93.236%0.35647%0.468SS..  trans-60.9140.6-176.1-172.7-86.2000111.8V491 F492 Q493 H679H489-V491 VanDerWaalsContact C-N 3.31Å; H489-V491 PolarHBondContact ND1-N 2.95Å; H489-V491 PolarHBondContact O-N 3.4Å; H489-V491 VanDerWaalsContact O-N 3.15Å; H489-F492 WeakPolarHBondContact O-CA 3.29Å; H489-F492 WeakPolarHBondContact O-CB 3.38Å; H489-F492 PolarHBondContact O-N 3.48Å; H489-Q493 PolarHBondContact O-N 3.34Å; H489-Q493 VanDerWaalsContact O-N 3.07Å; H489-H679 HydrophobicContact CB-CB 4.5Å; H489-H679 AromaticContact CG-ND1 3.45Å; H489-H679 AromaticContact ND1-CE1 3.85Å; H489-H679 AromaticContact ND1-CG 3.9Å; H489-H679 AromaticContact ND1-ND1 3.34Å; H489-H679 PolarHBondContact ND1-ND1 2.81Å
490P49.7Very low43.7Very low86 Ų8690 Ų9056%0.55846%0.455SS*.Hα-helixtrans-52.1-41.4-175.5-29.634.5000114.7F492 Q493 E494P490-F492 VanDerWaalsContact C-N 3.31Å; P490-F492 PolarHBondContact O-N 2.91Å; P490-Q493 CarbonylContact O-C 3.45Å; P490-Q493 WeakPolarHBondContact O-CB 3.38Å; P490-Q493 PolarHBondContact O-N 2.92Å; P490-E494 WeakPolarHBondContact O-CB 3.17Å; P490-E494 PolarHBondContact O-N 3.25Å
491V48.1Very low44.4Very low71 Ų7187.9 Ų87.943%0.4345%0.449SS..Hα-helixtrans-62.4-36.4177.3175.80000112.7H489 H495H489-V491 VanDerWaalsContact C-N 3.31Å; H489-V491 PolarHBondContact ND1-N 2.95Å; H489-V491 PolarHBondContact O-N 3.4Å; H489-V491 VanDerWaalsContact O-N 3.15Å; V491-H495 PolarHBondContact O-N 3.16Å; V491-H495 VanDerWaalsContact O-N 3.09Å
492F48.4Very low45.1Very low11 Ų1188 Ų885%0.04844%0.443CS..Hα-helixtrans-70.9-46175.9-179.9-111.4000109.8A100 H489 P490 E494 H495 L496 L683A100-F492 HydrophobicContact CB-CE2 4.45Å; A100-F492 HydrophobicContact CB-CZ 3.79Å; A100-F492 WeakPolarHBondContact O-CE1 3.41Å; A100-F492 WeakPolarHBondContact O-CZ 3.4Å; H489-F492 WeakPolarHBondContact O-CA 3.29Å; H489-F492 WeakPolarHBondContact O-CB 3.38Å; H489-F492 PolarHBondContact O-N 3.48Å; P490-F492 VanDerWaalsContact C-N 3.31Å; P490-F492 PolarHBondContact O-N 2.91Å; F492-E494 VanDerWaalsContact C-N 3.28Å; F492-E494 PolarHBondContact O-N 3.29Å; F492-H495 PolarHBondContact O-N 2.9Å; F492-H495 VanDerWaalsContact O-N 3.15Å; F492-L496 HydrophobicContact CD1-CD1 3.77Å; F492-L496 HydrophobicContact CD1-CG 4.22Å; F492-L496 HydrophobicContact CE1-CD1 3.29Å; F492-L496 HydrophobicContact CE1-CD2 4.38Å; F492-L496 HydrophobicContact CE1-CG 3.92Å; F492-L496 HydrophobicContact CE2-CD1 4.45Å; F492-L496 HydrophobicContact CE2-CD2 4.09Å; F492-L496 HydrophobicContact CE2-CG 4.23Å; F492-L496 HydrophobicContact CZ-CD1 3.67Å; F492-L496 HydrophobicContact CZ-CD2 3.87Å; F492-L496 HydrophobicContact CZ-CG 3.9Å; F492-L496 VanDerWaalsContact O-CG 3.3Å; F492-L496 WeakPolarHBondContact O-CG 3.47Å; F492-L496 PolarHBondContact O-N 3.15Å; F492-L683 HydrophobicContact CD2-CD2 4.03Å; F492-L683 HydrophobicContact CE2-CD2 4.49Å
493Q49.9Very low45.4Very low70 Ų7083.1 Ų83.133%0.32742%0.418SS..Hα-helixtrans-55.8-42.6173.4-66.1178-18.100111.8S488 H489 P490 H495 L496 L497S488-Q493 VanDerWaalsContact O-CD 3.3Å; S488-Q493 PolarHBondContact O-NE2 2.76Å; S488-Q493 VanDerWaalsContact OG-CG 3.31Å; S488-Q493 WeakPolarHBondContact OG-CG 3.43Å; S488-Q493 PolarHBondContact OG-NE2 3.49Å; H489-Q493 PolarHBondContact O-N 3.34Å; H489-Q493 VanDerWaalsContact O-N 3.07Å; P490-Q493 CarbonylContact O-C 3.45Å; P490-Q493 WeakPolarHBondContact O-CB 3.38Å; P490-Q493 PolarHBondContact O-N 2.92Å; Q493-H495 PolarHBondContact O-N 2.81Å; Q493-L496 WeakPolarHBondContact O-CB 3.48Å; Q493-L496 PolarHBondContact O-N 3.48Å; Q493-L497 VanDerWaalsContact O-CB 3.3Å; Q493-L497 WeakPolarHBondContact O-CB 3.38Å; Q493-L497 WeakPolarHBondContact O-CG 3.23Å; Q493-L497 PolarHBondContact O-N 3.06Å
494E55Low45.9Very low94 Ų9485.9 Ų85.944%0.43942%0.417SS..Hα-helixtrans-61.9-44.9176.9-170.1-165.1161.300111.5P490 F492 L496 L497 K498P490-E494 WeakPolarHBondContact O-CB 3.17Å; P490-E494 PolarHBondContact O-N 3.25Å; F492-E494 VanDerWaalsContact C-N 3.28Å; F492-E494 PolarHBondContact O-N 3.29Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 PolarHBondContact O-N 3.09Å; E494-L497 PolarHBondContact O-N 2.79Å; E494-K498 WeakPolarHBondContact O-CB 2.99Å; E494-K498 VanDerWaalsContact O-CG 3.29Å; E494-K498 WeakPolarHBondContact O-CG 3.21Å; E494-K498 PolarHBondContact O-N 3.24Å; E494-K498 WeakPolarHBondContact OE1-CE 3.5Å; E494-K498 IonicContact OE1-NZ 3.41Å; E494-K498 PolarHBondContact OE1-NZ 3.37Å
495H51.2Low46.3Very low96 Ų9682.6 Ų82.644%0.44441%0.407SS..Hα-helixtrans-65.6-37.1176.8-170.8-129.2000112.1V491 F492 Q493 K498 L499V491-H495 PolarHBondContact O-N 3.16Å; V491-H495 VanDerWaalsContact O-N 3.09Å; F492-H495 PolarHBondContact O-N 2.9Å; F492-H495 VanDerWaalsContact O-N 3.15Å; Q493-H495 PolarHBondContact O-N 2.81Å; H495-K498 WeakPolarHBondContact O-CB 3.21Å; H495-K498 PolarHBondContact O-N 3.06Å; H495-L499 PolarHBondContact O-N 2.97Å
496L51.5Low46.5Very low24 Ų2475.4 Ų75.413%0.12638%0.382CS..Hα-helixtrans-65.7-46.1173.4-68.5-172.6000112.4Y101 F492 Q493 E494 K498 L499 C500Y101-L496 HydrophobicContact CD1-CD2 3.76Å; Y101-L496 HydrophobicContact CG-CD2 3.89Å; F492-L496 HydrophobicContact CD1-CD1 3.77Å; F492-L496 HydrophobicContact CD1-CG 4.22Å; F492-L496 HydrophobicContact CE1-CD1 3.29Å; F492-L496 HydrophobicContact CE1-CD2 4.38Å; F492-L496 HydrophobicContact CE1-CG 3.92Å; F492-L496 HydrophobicContact CE2-CD1 4.45Å; F492-L496 HydrophobicContact CE2-CD2 4.09Å; F492-L496 HydrophobicContact CE2-CG 4.23Å; F492-L496 HydrophobicContact CZ-CD1 3.67Å; F492-L496 HydrophobicContact CZ-CD2 3.87Å; F492-L496 HydrophobicContact CZ-CG 3.9Å; F492-L496 VanDerWaalsContact O-CG 3.3Å; F492-L496 WeakPolarHBondContact O-CG 3.47Å; F492-L496 PolarHBondContact O-N 3.15Å; Q493-L496 WeakPolarHBondContact O-CB 3.48Å; Q493-L496 PolarHBondContact O-N 3.48Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 PolarHBondContact O-N 3.09Å; L496-K498 VanDerWaalsContact C-N 3.27Å; L496-K498 PolarHBondContact O-N 2.63Å; L496-L499 PolarHBondContact O-N 3.14Å; L496-C500 WeakPolarHBondContact O-CB 3.49Å; L496-C500 PolarHBondContact O-N 3.14Å; L496-C500 PolarHBondContact O-SG 3.41Å
497L52.8Low46.3Very low116 Ų11671.8 Ų71.861%0.60738%0.38SS*.Hα-helixtrans-62.3-37.5175.4-72.7168.9000110.5Q493 E494 C500 S501Q493-L497 VanDerWaalsContact O-CB 3.3Å; Q493-L497 WeakPolarHBondContact O-CB 3.38Å; Q493-L497 WeakPolarHBondContact O-CG 3.23Å; Q493-L497 PolarHBondContact O-N 3.06Å; E494-L497 PolarHBondContact O-N 2.79Å; L497-C500 PolarHBondContact O-N 3.33Å; L497-S501 WeakPolarHBondContact O-CA 3.45Å; L497-S501 WeakPolarHBondContact O-CB 3.45Å; L497-S501 PolarHBondContact O-N 2.88Å; L497-S501 PolarHBondContact O-OG 3.06Å; L497-S501 VanDerWaalsContact O-OG 3.1Å
498K53.7Low45.9Very low113 Ų11374.7 Ų74.749%0.49139%0.39SS..Hα-helixtrans-61.4-50.5172.5-79.7174.4-175.4169.50111.7E494 H495 L496 C500 S501 F502E494-K498 WeakPolarHBondContact O-CB 2.99Å; E494-K498 VanDerWaalsContact O-CG 3.29Å; E494-K498 WeakPolarHBondContact O-CG 3.21Å; E494-K498 PolarHBondContact O-N 3.24Å; E494-K498 WeakPolarHBondContact OE1-CE 3.5Å; E494-K498 IonicContact OE1-NZ 3.41Å; E494-K498 PolarHBondContact OE1-NZ 3.37Å; H495-K498 WeakPolarHBondContact O-CB 3.21Å; H495-K498 PolarHBondContact O-N 3.06Å; L496-K498 VanDerWaalsContact C-N 3.27Å; L496-K498 PolarHBondContact O-N 2.63Å; K498-C500 PolarHBondContact O-N 2.85Å; K498-S501 WeakPolarHBondContact CA-OG 3.09Å; K498-S501 PolarHBondContact O-N 2.85Å; K498-S501 PolarHBondContact O-OG 2.91Å; K498-F502 WeakPolarHBondContact O-CB 3.23Å; K498-F502 PolarHBondContact O-N 3.23Å
499L50.5Low45.6Very low28 Ų2877.5 Ų77.515%0.14741%0.408CS..Hα-helixtrans-57.4-49.1175.4-81.8159000111.4L31 H495 L496 S501 F502 Y503L31-L499 HydrophobicContact CD1-CD2 3.77Å; H495-L499 PolarHBondContact O-N 2.97Å; L496-L499 PolarHBondContact O-N 3.14Å; L499-S501 PolarHBondContact O-N 3.04Å; L499-F502 WeakPolarHBondContact O-CB 3.35Å; L499-F502 PolarHBondContact O-N 3.37Å; L499-Y503 WeakPolarHBondContact O-CD2 3.42Å; L499-Y503 PolarHBondContact O-N 2.87Å
500C47.4Very low45.3Very low49 Ų4976 Ų7633%0.33140%0.402SS..Hα-helixtrans-63.7-41.4178.3-64.10000112.5L496 L497 K498 F502 Y503 K504L496-C500 WeakPolarHBondContact O-CB 3.49Å; L496-C500 PolarHBondContact O-N 3.14Å; L496-C500 PolarHBondContact O-SG 3.41Å; L497-C500 PolarHBondContact O-N 3.33Å; K498-C500 PolarHBondContact O-N 2.85Å; C500-F502 VanDerWaalsContact C-N 3.32Å; C500-F502 PolarHBondContact O-N 3.29Å; C500-Y503 WeakPolarHBondContact O-CB 3.35Å; C500-Y503 PolarHBondContact O-N 3.27Å; C500-Y503 VanDerWaalsContact O-N 3.13Å; C500-K504 PolarHBondContact O-N 2.7Å
501S46.8Very low45Very low63 Ų6376.8 Ų76.844%0.44140%0.398SS..Hα-helixtrans-66.6-34.9178.471.90000112.1L497 K498 L499 Y503 K504 S505L497-S501 WeakPolarHBondContact O-CA 3.45Å; L497-S501 WeakPolarHBondContact O-CB 3.45Å; L497-S501 PolarHBondContact O-N 2.88Å; L497-S501 PolarHBondContact O-OG 3.06Å; L497-S501 VanDerWaalsContact O-OG 3.1Å; K498-S501 WeakPolarHBondContact CA-OG 3.09Å; K498-S501 PolarHBondContact O-N 2.85Å; K498-S501 PolarHBondContact O-OG 2.91Å; L499-S501 PolarHBondContact O-N 3.04Å; S501-Y503 VanDerWaalsContact C-N 3.26Å; S501-Y503 PolarHBondContact O-N 2.98Å; S501-K504 WeakPolarHBondContact O-CB 3.13Å; S501-K504 PolarHBondContact O-N 3.03Å; S501-K504 VanDerWaalsContact O-N 3.17Å; S501-S505 PolarHBondContact O-N 3.33Å; S501-S505 VanDerWaalsContact O-N 3.08Å
502F42.9Very low44.8Very low90 Ų9073.5 Ų73.540%0.39538%0.378SS..Hα-helixtrans-65-32.4172.7-170.9-96000111.5K498 L499 C500 S505 L506K498-F502 WeakPolarHBondContact O-CB 3.23Å; K498-F502 PolarHBondContact O-N 3.23Å; L499-F502 WeakPolarHBondContact O-CB 3.35Å; L499-F502 PolarHBondContact O-N 3.37Å; C500-F502 VanDerWaalsContact C-N 3.32Å; C500-F502 PolarHBondContact O-N 3.29Å; F502-S505 PolarHBondContact O-OG 2.93Å; F502-L506 HydrophobicContact CD1-CD1 4.22Å; F502-L506 HydrophobicContact CE1-CD1 4.02Å; F502-L506 WeakPolarHBondContact O-CD1 3.34Å; F502-L506 WeakPolarHBondContact O-CG 3.17Å
503Y40.5Very low44.8Very low45 Ų4573.2 Ų73.218%0.17638%0.377CS..Hα-helixtrans-72.4-37.1170.4-72.4-65.4000112.6L31 E108 L499 C500 S501 S505 L506L31-Y503 HydrophobicContact CD2-CE1 4.5Å; E108-Y503 PolarHBondContact OE1-OH 2.88Å; L499-Y503 WeakPolarHBondContact O-CD2 3.42Å; L499-Y503 PolarHBondContact O-N 2.87Å; C500-Y503 WeakPolarHBondContact O-CB 3.35Å; C500-Y503 PolarHBondContact O-N 3.27Å; C500-Y503 VanDerWaalsContact O-N 3.13Å; S501-Y503 VanDerWaalsContact C-N 3.26Å; S501-Y503 PolarHBondContact O-N 2.98Å; Y503-S505 VanDerWaalsContact C-N 3.32Å; Y503-S505 PolarHBondContact O-N 3.49Å; Y503-L506 PolarHBondContact O-N 2.71Å
504K38.3Very low44.6Very low163 Ų16372.8 Ų72.871%0.70938%0.377SS*.Hα-helixtrans-60.4-37.1175.1-70.6-179179.9-175.10112.9C500 S501 L506C500-K504 PolarHBondContact O-N 2.7Å; S501-K504 WeakPolarHBondContact O-CB 3.13Å; S501-K504 PolarHBondContact O-N 3.03Å; S501-K504 VanDerWaalsContact O-N 3.17Å; K504-L506 PolarHBondContact O-N 2.81Å
505S40Very low44.3Very low49 Ų4972.5 Ų72.534%0.34337%0.371SS..THydrogen-bonded Turntrans-72.2-5.2179.868.60000114.3S501 F502 Y503S501-S505 PolarHBondContact O-N 3.33Å; S501-S505 VanDerWaalsContact O-N 3.08Å; F502-S505 PolarHBondContact O-OG 2.93Å; Y503-S505 VanDerWaalsContact C-N 3.32Å; Y503-S505 PolarHBondContact O-N 3.49Å
506L36.2Very low44.1Very low51 Ų5167.9 Ų67.927%0.26735%0.35SS..THydrogen-bonded Turntrans-102.13.2-176.2-67.9168.9000114.2P113 R114 F502 Y503 K504P113-L506 HydrophobicContact CB-CD1 3.78Å; P113-L506 HydrophobicContact CG-CD1 4.47Å; R114-L506 HydrophobicContact CB-CD2 4.31Å; F502-L506 HydrophobicContact CD1-CD1 4.22Å; F502-L506 HydrophobicContact CE1-CD1 4.02Å; F502-L506 WeakPolarHBondContact O-CD1 3.34Å; F502-L506 WeakPolarHBondContact O-CG 3.17Å; Y503-L506 PolarHBondContact O-N 2.71Å; K504-L506 PolarHBondContact O-N 2.81Å
507G35.8Very low44Very low48 Ų4866.9 Ų66.950%0.49535%0.345SS..  trans80.3-177.8-175.400000112.6
508K35.2Very low43.9Very low192 Ų19267.8 Ų67.884%0.83535%0.346SS*.SBendtrans-49.1131.3-179.1-69.2-176.3179.8-178.20109.4I510K508-I510 PolarHBondContact O-N 2.81Å
509P34.9Very low43.4Very low92 Ų9264.1 Ų64.160%0.59733%0.332SS*.  trans-55.6108.3179.519.6-29.3000108.8T111 H511T111-P509 HydrophobicContact CG2-CB 4.26Å; P509-H511 PolarHBondContact O-N 2.8Å
510I41.4Very low43.5Very low45 Ų4563.9 Ų63.923%0.23133%0.332CS..  trans-72.8118.7168.4-53178.6000103.6A125 K508 L512A125-I510 HydrophobicContact CB-CD1 4.04Å; A125-I510 HydrophobicContact CB-CG2 4.47Å; K508-I510 PolarHBondContact O-N 2.81Å; I510-L512 HydrophobicContact CB-CB 4.17Å; I510-L512 HydrophobicContact CB-CD1 4.49Å; I510-L512 HydrophobicContact CG2-CB 3.81Å; I510-L512 HydrophobicContact CG2-CD1 3.66Å; I510-L512 HydrophobicContact CG2-CG 4.34Å; I510-L512 PolarHBondContact O-N 2.99Å
511H44.4Very low43.7Very low103 Ų10364.5 Ų64.548%0.47735%0.347SS..  trans-67.156168-68.5-77.8000109.5S110 P509 F513 N514 R515S110-H511 CarbonylContact O-C 3.49Å; P509-H511 PolarHBondContact O-N 2.8Å; H511-F513 VanDerWaalsContact C-N 3.29Å; H511-F513 PolarHBondContact O-N 2.91Å; H511-N514 HydrophobicContact CB-CB 4.34Å; H511-N514 PolarHBondContact O-N 2.91Å; H511-N514 VanDerWaalsContact O-N 3.11Å; H511-R515 PolarHBondContact O-N 3.11Å
512L44.8Very low44.3Very low2 Ų263.1 Ų63.11%0.0133%0.334CS..Hα-helixtrans-70.3-31-160.5-171.886.2000109.8S110 V112 L117 A125 I510 R515 L516S110-L512 PolarHBondContact O-N 3.38Å; V112-L512 HydrophobicContact CB-CB 4.23Å; V112-L512 HydrophobicContact CB-CD2 3.81Å; V112-L512 HydrophobicContact CG1-CD2 4.04Å; L117-L512 HydrophobicContact CD1-CD1 3.97Å; L117-L512 HydrophobicContact CD1-CD2 3.27Å; L117-L512 HydrophobicContact CD1-CG 4.25Å; L117-L512 HydrophobicContact CD2-CD2 3.29Å; L117-L512 HydrophobicContact CG-CD2 3.69Å; A125-L512 HydrophobicContact CB-CD1 3.68Å; I510-L512 HydrophobicContact CB-CB 4.17Å; I510-L512 HydrophobicContact CB-CD1 4.49Å; I510-L512 HydrophobicContact CG2-CB 3.81Å; I510-L512 HydrophobicContact CG2-CD1 3.66Å; I510-L512 HydrophobicContact CG2-CG 4.34Å; I510-L512 PolarHBondContact O-N 2.99Å; L512-R515 CarbonylContact O-C 3.54Å; L512-R515 PolarHBondContact O-N 3.12Å; L512-L516 HydrophobicContact CD2-CD1 3.7Å; L512-L516 HydrophobicContact CD2-CG 4.27Å; L512-L516 HydrophobicContact CG-CD1 3.79Å; L512-L516 HydrophobicContact CG-CG 3.92Å; L512-L516 WeakPolarHBondContact O-CA 3.42Å; L512-L516 WeakPolarHBondContact O-CB 3.32Å; L512-L516 WeakPolarHBondContact O-CD1 3.41Å; L512-L516 WeakPolarHBondContact O-CG 3.29Å; L512-L516 PolarHBondContact O-N 2.6Å
513F47.9Very low44.9Very low5 Ų561.6 Ų61.62%0.02233%0.332CS..Hα-helixtrans-69.2-40.5174.3-150-115.5000111.3L37 I41 I109 S110 V112 H511 L516 L517 L623L37-F513 HydrophobicContact CB-CE2 4.1Å; L37-F513 HydrophobicContact CB-CZ 3.96Å; L37-F513 HydrophobicContact CD1-CZ 4.19Å; I41-F513 HydrophobicContact CD1-CE1 4.34Å; I41-F513 HydrophobicContact CD1-CE2 3.9Å; I41-F513 HydrophobicContact CD1-CZ 3.39Å; I109-F513 HydrophobicContact CG2-CD1 3.83Å; I109-F513 HydrophobicContact CG2-CE1 3.63Å; I109-F513 HydrophobicContact CG2-CG 4.45Å; I109-F513 HydrophobicContact CG2-CZ 4.16Å; I109-F513 WeakPolarHBondContact O-CB 3.5Å; S110-F513 WeakPolarHBondContact O-CB 3.43Å; S110-F513 PolarHBondContact O-N 3.23Å; V112-F513 HydrophobicContact CG2-CB 4.17Å; V112-F513 HydrophobicContact CG2-CD2 4.05Å; H511-F513 VanDerWaalsContact C-N 3.29Å; H511-F513 PolarHBondContact O-N 2.91Å; F513-L516 PolarHBondContact O-N 3.32Å; F513-L517 HydrophobicContact CD1-CD1 3.44Å; F513-L517 VanDerWaalsContact CD1-CD1 3.44Å; F513-L517 HydrophobicContact CD1-CG 4.28Å; F513-L517 HydrophobicContact CE1-CD1 3.7Å; F513-L517 HydrophobicContact CE1-CG 4.5Å; F513-L517 HydrophobicContact CG-CD1 4.21Å; F513-L517 VanDerWaalsContact O-CB 3.23Å; F513-L517 WeakPolarHBondContact O-CB 3.37Å; F513-L517 WeakPolarHBondContact O-CD1 3.1Å; F513-L517 WeakPolarHBondContact O-CG 3.25Å; F513-L517 PolarHBondContact O-N 3.08Å; F513-L623 HydrophobicContact CD1-CD2 4.4Å; F513-L623 HydrophobicContact CE1-CD2 3.29Å; F513-L623 HydrophobicContact CZ-CD2 3.77Å
514N46.4Very low46.2Very low61 Ų6162.6 Ų62.633%0.32634%0.336SS..Hα-helixtrans-63.4-42.9174.1-70.9-6.2000110.6H511 H518H511-N514 HydrophobicContact CB-CB 4.34Å; H511-N514 PolarHBondContact O-N 2.91Å; H511-N514 VanDerWaalsContact O-N 3.11Å; N514-H518 WeakPolarHBondContact O-CB 3.22Å; N514-H518 PolarHBondContact O-N 3.2Å
515R46.6Very low47.2Very low87 Ų8755.3 Ų55.333%0.32831%0.307SS..Hα-helixtrans-66.2-43.1172.2-83.6-170-173.6175.51.6113.3A125 N128 H511 L512 L517 H518 D519A125-R515 PolarHBondContact O-NH1 3.11Å; N128-R515 PolarHBondContact OD1-NH1 2.78Å; N128-R515 PolarHBondContact OD1-NH2 2.77Å; H511-R515 PolarHBondContact O-N 3.11Å; L512-R515 CarbonylContact O-C 3.54Å; L512-R515 PolarHBondContact O-N 3.12Å; R515-L517 VanDerWaalsContact C-N 3.3Å; R515-L517 PolarHBondContact O-N 3.44Å; R515-H518 PolarHBondContact O-N 2.91Å; R515-D519 WeakPolarHBondContact O-CA 3.02Å; R515-D519 WeakPolarHBondContact O-CB 3.35Å; R515-D519 PolarHBondContact O-N 3.48Å
516L48.1Very low48.1Very low0 Ų055.6 Ų55.60%030%0.3CS..Hα-helixtrans-60.5-45.5177.9-79.6163.2000108.6F42 F46 I131 L512 F513 S520F42-L516 HydrophobicContact CD1-CD2 4.47Å; F42-L516 HydrophobicContact CD2-CB 4.08Å; F42-L516 HydrophobicContact CD2-CD1 4.01Å; F42-L516 HydrophobicContact CD2-CD2 4.18Å; F42-L516 HydrophobicContact CD2-CG 4.33Å; F42-L516 HydrophobicContact CE1-CB 4.37Å; F42-L516 HydrophobicContact CE2-CB 3.46Å; F42-L516 VanDerWaalsContact CE2-CB 3.46Å; F42-L516 HydrophobicContact CE2-CD1 4.15Å; F42-L516 HydrophobicContact CE2-CD2 4.36Å; F42-L516 HydrophobicContact CE2-CG 4.19Å; F42-L516 HydrophobicContact CG-CD2 4.24Å; F42-L516 HydrophobicContact CZ-CB 3.63Å; F42-L516 WeakPolarHBondContact CZ-O 3.38Å; F46-L516 HydrophobicContact CE2-CD1 3.86Å; F46-L516 HydrophobicContact CZ-CD1 4.21Å; I131-L516 HydrophobicContact CB-CD2 4.25Å; I131-L516 HydrophobicContact CD1-CD2 3.27Å; I131-L516 HydrophobicContact CD1-CG 4.5Å; I131-L516 HydrophobicContact CG1-CD2 3.67Å; I131-L516 HydrophobicContact CG2-CD2 4.11Å; L512-L516 HydrophobicContact CD2-CD1 3.7Å; L512-L516 HydrophobicContact CD2-CG 4.27Å; L512-L516 HydrophobicContact CG-CD1 3.79Å; L512-L516 HydrophobicContact CG-CG 3.92Å; L512-L516 WeakPolarHBondContact O-CA 3.42Å; L512-L516 WeakPolarHBondContact O-CB 3.32Å; L512-L516 WeakPolarHBondContact O-CD1 3.41Å; L512-L516 WeakPolarHBondContact O-CG 3.29Å; L512-L516 PolarHBondContact O-N 2.6Å; F513-L516 PolarHBondContact O-N 3.32Å; L516-S520 WeakPolarHBondContact O-CB 3.39Å; L516-S520 PolarHBondContact O-N 2.82Å; L516-S520 PolarHBondContact O-OG 3.32Å
517L49.5Very low48.8Very low2 Ų256 Ų561%0.0130%0.299CS..Hα-helixtrans-66.2-48.6177.3-69.4165.6000111.4F42 F513 R515 S520 G521 I522 Y524 L623F42-L517 HydrophobicContact CZ-CD2 4.38Å; F513-L517 HydrophobicContact CD1-CD1 3.44Å; F513-L517 VanDerWaalsContact CD1-CD1 3.44Å; F513-L517 HydrophobicContact CD1-CG 4.28Å; F513-L517 HydrophobicContact CE1-CD1 3.7Å; F513-L517 HydrophobicContact CE1-CG 4.5Å; F513-L517 HydrophobicContact CG-CD1 4.21Å; F513-L517 VanDerWaalsContact O-CB 3.23Å; F513-L517 WeakPolarHBondContact O-CB 3.37Å; F513-L517 WeakPolarHBondContact O-CD1 3.1Å; F513-L517 WeakPolarHBondContact O-CG 3.25Å; F513-L517 PolarHBondContact O-N 3.08Å; R515-L517 VanDerWaalsContact C-N 3.3Å; R515-L517 PolarHBondContact O-N 3.44Å; L517-S520 PolarHBondContact O-OG 3.15Å; L517-G521 PolarHBondContact O-N 3.19Å; L517-I522 HydrophobicContact CD2-CB 4.13Å; L517-I522 HydrophobicContact CD2-CG2 3.83Å; L517-I522 PolarHBondContact O-N 2.76Å; L517-Y524 HydrophobicContact CB-CD1 3.61Å; L517-Y524 HydrophobicContact CB-CE1 3.82Å; L517-Y524 HydrophobicContact CB-CG 4.46Å; L517-Y524 HydrophobicContact CD1-CD1 3.57Å; L517-Y524 HydrophobicContact CD1-CD2 4.06Å; L517-Y524 HydrophobicContact CD1-CE1 3.96Å; L517-Y524 HydrophobicContact CD1-CE2 4.43Å; L517-Y524 HydrophobicContact CD1-CG 3.61Å; L517-Y524 HydrophobicContact CD2-CD1 4.3Å; L517-Y524 HydrophobicContact CD2-CG 4.47Å; L517-Y524 HydrophobicContact CG-CD1 4.01Å; L517-Y524 HydrophobicContact CG-CE1 4.48Å; L517-Y524 HydrophobicContact CG-CG 4.39Å; L517-L623 HydrophobicContact CD1-CD2 4.25Å
518H49.8Very low49.2Very low136 Ų13655 Ų5563%0.6328%0.283SS*.Hα-helixtrans-59.7-55176.8178.3-89.6000112.5N514 R515 S520 G521N514-H518 WeakPolarHBondContact O-CB 3.22Å; N514-H518 PolarHBondContact O-N 3.2Å; R515-H518 PolarHBondContact O-N 2.91Å; H518-S520 VanDerWaalsContact C-N 3.29Å; H518-S520 PolarHBondContact O-N 2.87Å; H518-G521 PolarHBondContact O-N 2.9Å
519D45Very low48.9Very low36 Ų3650.5 Ų50.519%0.19327%0.267CS..Hα-helixtrans-74.7-18.3-174.5-62.5-13.8000113.2S130 I131 L132 R515S130-D519 WeakPolarHBondContact CA-OD2 3.47Å; S130-D519 PolarHBondContact OG-O 2.71Å; S130-D519 VanDerWaalsContact OG-O 3.12Å; I131-D519 HydrophobicContact CG1-CB 4.36Å; L132-D519 WeakPolarHBondContact CD1-O 3.3Å; R515-D519 WeakPolarHBondContact O-CA 3.02Å; R515-D519 WeakPolarHBondContact O-CB 3.35Å; R515-D519 PolarHBondContact O-N 3.48Å
520S51.6Low48.5Very low22 Ų2250.5 Ų50.515%0.15427%0.268CS..Hα-helixtrans-89.9-10.8175.566.70000114.5F42 L516 L517 H518 I522F42-S520 WeakPolarHBondContact CE1-OG 3.3Å; F42-S520 WeakPolarHBondContact CZ-OG 3.44Å; L516-S520 WeakPolarHBondContact O-CB 3.39Å; L516-S520 PolarHBondContact O-N 2.82Å; L516-S520 PolarHBondContact O-OG 3.32Å; L517-S520 PolarHBondContact O-OG 3.15Å; H518-S520 VanDerWaalsContact C-N 3.29Å; H518-S520 PolarHBondContact O-N 2.87Å; S520-I522 PolarHBondContact O-N 2.93Å; S520-I522 VanDerWaalsContact OG-CB 3.29Å; S520-I522 WeakPolarHBondContact OG-CB 3.31Å; S520-I522 WeakPolarHBondContact OG-CG1 3.36Å; S520-I522 PolarHBondContact OG-N 3.24Å
521G52.1Low47.7Very low63 Ų6356 Ų5665%0.64929%0.293SS*.THydrogen-bonded Turntrans65.413.8-168.700000113.4L517 H518 T523L517-G521 PolarHBondContact O-N 3.19Å; H518-G521 PolarHBondContact O-N 2.9Å; G521-T523 PolarHBondContact O-N 3.46Å
522I58.1Low46.7Very low33 Ų3358.8 Ų58.817%0.16931%0.306CS..  trans-78.7108.9176-66.1-179.7000108.3I41 F42 L517 S520 Y524 R622I41-I522 HydrophobicContact CG2-CD1 3.53Å; I41-I522 HydrophobicContact CG2-CG2 4.29Å; F42-I522 HydrophobicContact CD1-CD1 4.22Å; F42-I522 HydrophobicContact CE1-CD1 3.42Å; F42-I522 VanDerWaalsContact CE1-CD1 3.42Å; F42-I522 HydrophobicContact CE1-CG1 4.4Å; F42-I522 HydrophobicContact CZ-CD1 3.76Å; L517-I522 HydrophobicContact CD2-CB 4.13Å; L517-I522 HydrophobicContact CD2-CG2 3.83Å; L517-I522 PolarHBondContact O-N 2.76Å; S520-I522 PolarHBondContact O-N 2.93Å; S520-I522 VanDerWaalsContact OG-CB 3.29Å; S520-I522 WeakPolarHBondContact OG-CB 3.31Å; S520-I522 WeakPolarHBondContact OG-CG1 3.36Å; S520-I522 PolarHBondContact OG-N 3.24Å; I522-Y524 PolarHBondContact O-N 2.89Å; I522-R622 HydrophobicContact CG2-CB 3.58Å; I522-R622 HydrophobicContact CG2-CG 4.12Å
523T57.4Low45.8Very low58 Ų5865 Ų6536%0.35634%0.335SS..  trans-61.1126.7174.143.80000111.1G521 S620 H621 R622G521-T523 PolarHBondContact O-N 3.46Å; T523-S620 WeakPolarHBondContact CB-O 3.49Å; T523-S620 PolarHBondContact OG1-O 3.04Å; T523-H621 CarbonylContact O-C 3.54Å; T523-H621 WeakPolarHBondContact O-CA 3.32Å; T523-H621 WeakPolarHBondContact OG1-CA 3.42Å; T523-R622 PolarHBondContact O-N 3.48Å
524Y65.9Low44.9Very low67 Ų6770.8 Ų70.826%0.26337%0.367SS..EExtended strand (participates in β ladder)trans-130.5151.6171.375.3-78.2000111.7L517 I522 H621 L623L517-Y524 HydrophobicContact CB-CD1 3.61Å; L517-Y524 HydrophobicContact CB-CE1 3.82Å; L517-Y524 HydrophobicContact CB-CG 4.46Å; L517-Y524 HydrophobicContact CD1-CD1 3.57Å; L517-Y524 HydrophobicContact CD1-CD2 4.06Å; L517-Y524 HydrophobicContact CD1-CE1 3.96Å; L517-Y524 HydrophobicContact CD1-CE2 4.43Å; L517-Y524 HydrophobicContact CD1-CG 3.61Å; L517-Y524 HydrophobicContact CD2-CD1 4.3Å; L517-Y524 HydrophobicContact CD2-CG 4.47Å; L517-Y524 HydrophobicContact CG-CD1 4.01Å; L517-Y524 HydrophobicContact CG-CE1 4.48Å; L517-Y524 HydrophobicContact CG-CG 4.39Å; I522-Y524 PolarHBondContact O-N 2.89Å; Y524-H621 PolarHBondContact O-CD2 3.18Å; Y524-L623 CarbonylContact C-O 3.54Å; Y524-L623 WeakPolarHBondContact CA-O 3.3Å; Y524-L623 WeakPolarHBondContact CB-O 3.46Å
525A59.1Low44.3Very low10 Ų1073.1 Ų73.18%0.08338%0.379CS..EExtended strand (participates in β ladder)trans-121.1132.7174.300000109.4L617 L623 M625A525-L617 HydrophobicContact CB-CD1 4Å; A525-L617 HydrophobicContact CB-CD2 4.19Å; A525-L623 PolarHBondContact N-O 2.87Å; A525-M625 PolarHBondContact O-N 2.81Å
526Y60Low43.8Very low54 Ų5474.2 Ų74.221%0.21239%0.388CS..EExtended strand (participates in β ladder)trans-124.6132.9172.5-178-103000110D106 P528 M625D106-Y526 HydrophobicContact CB-CD1 4.36Å; D106-Y526 HydrophobicContact CB-CD2 4.22Å; D106-Y526 HydrophobicContact CB-CE1 3.8Å; D106-Y526 HydrophobicContact CB-CE2 3.74Å; D106-Y526 VanDerWaalsContact CB-CZ 3.48Å; D106-Y526 PolarHBondContact OD1-OH 3.04Å; Y526-P528 WeakPolarHBondContact CE1-O 3.49Å; Y526-M625 CarbonylContact C-O 3.55Å; Y526-M625 WeakPolarHBondContact CA-O 3.44Å; Y526-M625 HydrophobicContact CD2-CB 3.52Å; Y526-M625 HydrophobicContact CD2-CE 3.85Å; Y526-M625 HydrophobicContact CD2-CG 4.49Å; Y526-M625 HydrophobicContact CD2-SD 4.29Å; Y526-M625 HydrophobicContact CE2-CB 4.17Å; Y526-M625 HydrophobicContact CE2-CE 3.81Å
527W51.5Low43.1Very low61 Ų6181.5 Ų81.523%0.23142%0.422CS..EExtended strand (participates in β ladder)trans-137.4133.7176.6-172.8-92000110.6I529 F570 N604 M625 I626 Q627W527-I529 HydrophobicContact CE3-CG1 4.19Å; W527-I529 HydrophobicContact CZ3-CD1 3.97Å; W527-I529 HydrophobicContact CZ3-CG1 4.08Å; W527-F570 HydrophobicContact CE3-CE2 4.19Å; W527-F570 HydrophobicContact CE3-CZ 4.43Å; W527-F570 HydrophobicContact CH2-CD2 4.1Å; W527-F570 AromaticContact CH2-CE2 3.56Å; W527-F570 HydrophobicContact CH2-CE2 3.56Å; W527-F570 HydrophobicContact CH2-CZ 4.15Å; W527-F570 HydrophobicContact CZ3-CD2 4.22Å; W527-F570 AromaticContact CZ3-CE2 3.35Å; W527-F570 HydrophobicContact CZ3-CE2 3.35Å; W527-F570 AromaticContact CZ3-CZ 3.96Å; W527-F570 HydrophobicContact CZ3-CZ 3.96Å; W527-N604 PolarHBondContact NE1-OD1 3.41Å; W527-M625 PolarHBondContact N-O 3.07Å; W527-I626 HydrophobicContact CB-CG1 4.45Å; W527-I626 CarbonylContact O-C 3.49Å; W527-Q627 WeakPolarHBondContact O-CB 3.28Å; W527-Q627 PolarHBondContact O-N 2.97Å
528P42.5Very low42.5Very low26 Ų2687.2 Ų87.217%0.16945%0.449CS..SBendcis-87.115412.24.918000111Y526 C530 Q627Y526-P528 WeakPolarHBondContact CE1-O 3.49Å; P528-C530 PolarHBondContact O-N 2.68Å; P528-C530 VanDerWaalsContact O-N 3.14Å; P528-Q627 HydrophobicContact CG-CB 4.16Å
529I30.6Very low41.7Very low98 Ų9888.5 Ų88.550%0.50345%0.448SS..  trans-64.4116173.8-59.7170.9000107.5W527 Q531W527-I529 HydrophobicContact CE3-CG1 4.19Å; W527-I529 HydrophobicContact CZ3-CD1 3.97Å; W527-I529 HydrophobicContact CZ3-CG1 4.08Å; I529-Q531 VanDerWaalsContact C-N 3.32Å; I529-Q531 HydrophobicContact CG2-CG 4.29Å; I529-Q531 PolarHBondContact O-N 3.07Å
530C25.6Very low41.2Very low92 Ų9292.6 Ų92.662%0.62247%0.466SS*.  trans-65.699.7157-79.80000106P528 E532P528-C530 PolarHBondContact O-N 2.68Å; P528-C530 VanDerWaalsContact O-N 3.14Å; C530-E532 PolarHBondContact O-N 2.9Å
531Q24.6Very low40.3Very low160 Ų16099 Ų9975%0.74849%0.493SS*.  trans-67.9109.3159.2-75.5178.7-37.800105.3I529 E533I529-Q531 VanDerWaalsContact C-N 3.32Å; I529-Q531 HydrophobicContact CG2-CG 4.29Å; I529-Q531 PolarHBondContact O-N 3.07Å; Q531-E533 PolarHBondContact O-N 3.28Å
532E24.5Very low39.3Very low161 Ų161103.3 Ų103.375%0.75249%0.49SS*.  trans-61.5113.5156.5-72.5-175.8164.300105.1C530 N534C530-E532 PolarHBondContact O-N 2.9Å; E532-N534 VanDerWaalsContact C-N 3.25Å; E532-N534 PolarHBondContact O-N 3.15Å
533E25.5Very low38.1Very low133 Ų133104.9 Ų104.962%0.62150%0.496SS*.  trans-60.297.2167.1-74.9175.316400106.2Q531 D535Q531-E533 PolarHBondContact O-N 3.28Å; E533-D535 PolarHBondContact O-N 3.34Å
534N29.4Very low37Very low127 Ų127110.1 Ų110.168%0.67952%0.517SS*.  trans-64.293.9155.6-83.6-15.4000105.2E532 E536E532-N534 VanDerWaalsContact C-N 3.25Å; E532-N534 PolarHBondContact O-N 3.15Å; N534-E536 PolarHBondContact O-N 3.1Å
535D33.3Very low35.4Very low110 Ų110114.7 Ų114.759%0.58854%0.541SS*.THydrogen-bonded Turntrans-63.943.3167.3-81.7-35.4000111.6E533E533-D535 PolarHBondContact O-N 3.34Å
536E35.9Very low34.1Very low109 Ų109121.1 Ų121.151%0.50957%0.574SS.*THydrogen-bonded Turntrans-83.7-19.2167.8-72.8-161161.600111.9N534 Q538 R539 Q540N534-E536 PolarHBondContact O-N 3.1Å; E536-Q538 PolarHBondContact O-N 3.49Å; E536-R539 PolarHBondContact O-N 3.25Å; E536-Q540 PolarHBondContact O-N 3.3Å
537E32.2Very low32.5Very low154 Ų154127 Ų12772%0.7260%0.595SS**Hα-helixtrans-65.5-30.3173.5-79.3-169.9160.600112.1R539 Q541E537-R539 PolarHBondContact O-N 3.13Å; E537-Q541 PolarHBondContact O-N 2.69Å
538Q37Very low31.4Very low122 Ų122133.4 Ų133.457%0.5763%0.628SS**Hα-helixtrans-76.5-9.2172.2-82.3-159.641.600114.3E536 R542E536-Q538 PolarHBondContact O-N 3.49Å; Q538-R542 PolarHBondContact O-NE 2.98Å; Q538-R542 VanDerWaalsContact O-NE 3.08Å; Q538-R542 PolarHBondContact O-NH2 2.81Å
539R33.5Very low30.8Very low163 Ų163141.5 Ų141.562%0.61566%0.66SS**Hα-helixtrans-104.5-40.2179.7-159.6172.5-179.3178.77.3111.8E536 E537 R542 E543E536-R539 PolarHBondContact O-N 3.25Å; E537-R539 PolarHBondContact O-N 3.13Å; R539-R542 PolarHBondContact O-N 3.17Å; R539-E543 HydrophobicContact CG-CG 4.38Å; R539-E543 VanDerWaalsContact CG-OE1 3.3Å; R539-E543 WeakPolarHBondContact CG-OE1 3.43Å; R539-E543 IonicContact CZ-OE1 3.55Å; R539-E543 IonicContact NE-OE1 2.93Å; R539-E543 PolarHBondContact NE-OE1 3.47Å; R539-E543 IonicContact NH2-OE1 3.94Å; R539-E543 WeakPolarHBondContact O-CB 3.2Å; R539-E543 WeakPolarHBondContact O-CG 3.25Å; R539-E543 PolarHBondContact O-N 2.77Å
540Q34.4Very low30.5Very low122 Ų122145.7 Ų145.757%0.5768%0.678SS**Hα-helixtrans-70.2-36.5179.4-67.3-17815.700112.5E536 R542 E543 E544E536-Q540 PolarHBondContact O-N 3.3Å; Q540-R542 VanDerWaalsContact C-N 3.29Å; Q540-R542 PolarHBondContact O-N 3.03Å; Q540-E543 PolarHBondContact O-N 2.75Å; Q540-E544 PolarHBondContact O-N 2.83Å
541Q33.1Very low30.4Very low155 Ų155146.6 Ų146.672%0.72469%0.685SS**Hα-helixtrans-72.9-19.6176.6-71.7-174.7800114.1E537E537-Q541 PolarHBondContact O-N 2.69Å
542R31.4Very low30.3Very low155 Ų155145 Ų14559%0.58569%0.686SS**Hα-helixtrans-91.8-28.9174-91.1-178.1-75.5-119.81.1113.1Q538 R539 Q540Q538-R542 PolarHBondContact O-NE 2.98Å; Q538-R542 VanDerWaalsContact O-NE 3.08Å; Q538-R542 PolarHBondContact O-NH2 2.81Å; R539-R542 PolarHBondContact O-N 3.17Å; Q540-R542 VanDerWaalsContact C-N 3.29Å; Q540-R542 PolarHBondContact O-N 3.03Å
543E33.8Very low30.2Very low65 Ų65145.8 Ų145.830%0.30469%0.69SS.*Hα-helixtrans-81.7-20.9178.8-71.7-172.2-163.100113.7R539 Q540 Q545 D546 R547R539-E543 HydrophobicContact CG-CG 4.38Å; R539-E543 VanDerWaalsContact CG-OE1 3.3Å; R539-E543 WeakPolarHBondContact CG-OE1 3.43Å; R539-E543 IonicContact CZ-OE1 3.55Å; R539-E543 IonicContact NE-OE1 2.93Å; R539-E543 PolarHBondContact NE-OE1 3.47Å; R539-E543 IonicContact NH2-OE1 3.94Å; R539-E543 WeakPolarHBondContact O-CB 3.2Å; R539-E543 WeakPolarHBondContact O-CG 3.25Å; R539-E543 PolarHBondContact O-N 2.77Å; Q540-E543 PolarHBondContact O-N 2.75Å; E543-Q545 PolarHBondContact O-N 3.18Å; E543-D546 PolarHBondContact O-N 3.17Å; E543-R547 IonicContact OE2-CZ 2.67Å; E543-R547 IonicContact OE2-NH1 3.61Å; E543-R547 IonicContact OE2-NH2 2.83Å; E543-R547 PolarHBondContact OE2-NH2 3.15Å
544E32.7Very low30Very low169 Ų169147.3 Ų147.379%0.7970%0.697SS**THydrogen-bonded Turntrans-63.9-24171.6-161.671.5-156.200112.1Q540 D546Q540-E544 PolarHBondContact O-N 2.83Å; E544-D546 VanDerWaalsContact C-N 3.34Å; E544-D546 PolarHBondContact O-N 2.72Å
545Q32.2Very low29.7Very low162 Ų162148.5 Ų148.576%0.75770%0.701SS**THydrogen-bonded Turntrans-75.9-17178.2-86.9-175-1900114.3E543E543-Q545 PolarHBondContact O-N 3.18Å
546D31.9Very low29Very low145 Ų145149.4 Ų149.478%0.77571%0.705SS**SBendtrans-121.111.7-167.2-86.3-14.7000115.8E543 E544E543-D546 PolarHBondContact O-N 3.17Å; E544-D546 VanDerWaalsContact C-N 3.34Å; E544-D546 PolarHBondContact O-N 2.72Å
547R27.9Very low28.5Very low177 Ų177150.4 Ų150.467%0.66872%0.719SS**  trans-132.248.4176.9-70.1-166.4-66.4-104-3115.8E543 K549E543-R547 IonicContact OE2-CZ 2.67Å; E543-R547 IonicContact OE2-NH1 3.61Å; E543-R547 IonicContact OE2-NH2 2.83Å; E543-R547 PolarHBondContact OE2-NH2 3.15Å; R547-K549 PolarHBondContact O-N 2.85Å
548E28.5Very low28Very low197 Ų197149.7 Ų149.792%0.92172%0.72SS**  trans-70.836.2158.9-148-179.4-147.200113
549K29.9Very low27.5Very low195 Ų195149.1 Ų149.185%0.84873%0.729SS**  trans-139.6124.7178.7-74.5-173.3-179.9173.20113.1R547R547-K549 PolarHBondContact O-N 2.85Å
550E23.1Very low27.1Very low186 Ų186149.3 Ų149.387%0.86974%0.737SS**  trans-40.4160.8173.6-61.5169.8139.600115.6
551S24.4Very low26.7Very low111 Ų111151.5 Ų151.578%0.77675%0.747SS**  trans100.594.7163.574.20000118.5
552V22.6Very low26.4Very low126 Ų126154.7 Ų154.776%0.76475%0.752SS**  35116.5125.9-175.30000117.7
553Q22.2Very low26.2Very low179 Ų179153 Ų15384%0.83676%0.755SS**  179.1144.8104.9-128.9146.63.600113
554H20.2Very low25.8Very low164 Ų164157.2 Ų157.276%0.75978%0.778SS**  trans-51.4137.6-179.7-75.3-97.1000115.8
555I22.5Very low25.5Very low152 Ų152155.9 Ų155.978%0.77977%0.77SS**  trans-121.6104.5149.5-63.4177.9000107.4T557I555-T557 HydrophobicContact CG2-CG2 4.07Å
556I20.4Very low25.3Very low129 Ų129153.2 Ų153.266%0.66276%0.759SS**  trans-87105166.9-62.5170.3000106.3N558I556-N558 HydrophobicContact CG2-CB 4.41Å
557T24.1Very low24.9Very low130 Ų130151.5 Ų151.580%0.79876%0.756SS**  trans-95.889159.844.50000108.6I555I555-T557 HydrophobicContact CG2-CG2 4.07Å
558N21.7Very low24.8Very low140 Ų140145.8 Ų145.875%0.74974%0.738SS**  trans-70.3118.1160.7-103.1-9.4000109.1I556I556-N558 HydrophobicContact CG2-CB 4.41Å
559S26.2Very low24.6Very low109 Ų109141.3 Ų141.376%0.76272%0.721SS**  -177.8102127.962.40000108.2
560E26.4Very low24.6Very low167 Ų167137.2 Ų137.278%0.7870%0.703SS**  trans-54.2148.9177.5-62.1167.3145.100112.2
561H26.4Very low24.8Very low168 Ų168135.2 Ų135.278%0.77870%0.698SS**  trans82.260.1171.9-47.4-56.8000117.3
562R25.7Very low24.8Very low223 Ų223133.1 Ų133.184%0.84268%0.684SS**  trans-97.2140.8139.6-68.9-170.7-177.2-175.83.3108.1
563D28.3Very low25Very low118 Ų118134.6 Ų134.663%0.63169%0.688SS**  trans77.366.8162.9-48.2-33.6000117.1F565D563-F565 HydrophobicContact CB-CD2 4.01Å; D563-F565 PolarHBondContact O-N 2.82Å
564I24.5Very low25Very low154 Ų154132.2 Ų132.279%0.7968%0.681SS**  trans-77.865.2143.2-49176.5000107.3I566I564-I566 HydrophobicContact CG2-CG1 4.37Å
565F26.8Very low25.2Very low142 Ų142132.1 Ų132.162%0.62368%0.68SS**  trans-70.3128.1141.7-77-85.8000104.4D563 P567D563-F565 HydrophobicContact CB-CD2 4.01Å; D563-F565 PolarHBondContact O-N 2.82Å; F565-P567 WeakPolarHBondContact O-CD 3.3Å
566I27.7Very low25.1Very low105 Ų105133.5 Ų133.554%0.53868%0.683SS.*  trans-73.1106.1162.9-61.2173.3000104.3I564 I568I564-I566 HydrophobicContact CG2-CG1 4.37Å; I566-I568 PolarHBondContact O-N 2.79Å; I566-I568 VanDerWaalsContact O-N 3.12Å
567P22.5Very low25.2Very low110 Ų110133.7 Ų133.771%0.71469%0.69SS**  trans-65.6117.8168.129.6-29.6000105.8F565 D569F565-P567 WeakPolarHBondContact O-CD 3.3Å; P567-D569 PolarHBondContact O-N 2.77Å; P567-D569 VanDerWaalsContact O-N 3.12Å
568I26.2Very low25Very low56 Ų56133 Ų13329%0.28769%0.686SS.*  trans-79.298.3172.8-54-177.3000105.8I566 F570 Y613 L617I566-I568 PolarHBondContact O-N 2.79Å; I566-I568 VanDerWaalsContact O-N 3.12Å; I568-F570 HydrophobicContact CB-CD2 4.35Å; I568-F570 HydrophobicContact CB-CE2 3.74Å; I568-F570 HydrophobicContact CB-CZ 4.2Å; I568-F570 HydrophobicContact CG2-CD1 4.47Å; I568-F570 HydrophobicContact CG2-CD2 3.97Å; I568-F570 HydrophobicContact CG2-CE1 4.01Å; I568-F570 HydrophobicContact CG2-CE2 3.42Å; I568-F570 VanDerWaalsContact CG2-CE2 3.42Å; I568-F570 HydrophobicContact CG2-CG 4.48Å; I568-F570 HydrophobicContact CG2-CZ 3.48Å; I568-F570 VanDerWaalsContact CG2-CZ 3.48Å; I568-F570 WeakPolarHBondContact O-CD2 3.49Å; I568-F570 PolarHBondContact O-N 3.07Å; I568-Y613 WeakPolarHBondContact CD1-OH 3.47Å; I568-L617 HydrophobicContact CD1-CD2 4.18Å
569D23.9Very low25Very low104 Ų104132 Ų13256%0.55669%0.686SS**  trans-71.8109.5173.7-177.44.8000109.6P567 N571 S572P567-D569 PolarHBondContact O-N 2.77Å; P567-D569 VanDerWaalsContact O-N 3.12Å; D569-N571 PolarHBondContact OD1-N 3.28Å; D569-S572 PolarHBondContact OD1-N 3.34Å; D569-S572 WeakPolarHBondContact OD2-CB 3.45Å
570F31Very low24.8Very low108 Ų108132.4 Ų132.447%0.47468%0.684SS.*SBendtrans-90.5-1177.1-72-82.3000113.7W527 I568 Y613W527-F570 HydrophobicContact CE3-CE2 4.19Å; W527-F570 HydrophobicContact CE3-CZ 4.43Å; W527-F570 HydrophobicContact CH2-CD2 4.1Å; W527-F570 AromaticContact CH2-CE2 3.56Å; W527-F570 HydrophobicContact CH2-CE2 3.56Å; W527-F570 HydrophobicContact CH2-CZ 4.15Å; W527-F570 HydrophobicContact CZ3-CD2 4.22Å; W527-F570 AromaticContact CZ3-CE2 3.35Å; W527-F570 HydrophobicContact CZ3-CE2 3.35Å; W527-F570 AromaticContact CZ3-CZ 3.96Å; W527-F570 HydrophobicContact CZ3-CZ 3.96Å; I568-F570 HydrophobicContact CB-CD2 4.35Å; I568-F570 HydrophobicContact CB-CE2 3.74Å; I568-F570 HydrophobicContact CB-CZ 4.2Å; I568-F570 HydrophobicContact CG2-CD1 4.47Å; I568-F570 HydrophobicContact CG2-CD2 3.97Å; I568-F570 HydrophobicContact CG2-CE1 4.01Å; I568-F570 HydrophobicContact CG2-CE2 3.42Å; I568-F570 VanDerWaalsContact CG2-CE2 3.42Å; I568-F570 HydrophobicContact CG2-CG 4.48Å; I568-F570 HydrophobicContact CG2-CZ 3.48Å; I568-F570 VanDerWaalsContact CG2-CZ 3.48Å; I568-F570 WeakPolarHBondContact O-CD2 3.49Å; I568-F570 PolarHBondContact O-N 3.07Å; F570-Y613 HydrophobicContact CE1-CE1 4.48Å; F570-Y613 AromaticContact CE1-CE2 3.81Å; F570-Y613 HydrophobicContact CE1-CE2 3.81Å; F570-Y613 AromaticContact CE1-CZ 3.81Å; F570-Y613 HydrophobicContact CZ-CE1 4.31Å; F570-Y613 HydrophobicContact CZ-CE2 4.12Å; F570-Y613 AromaticContact CZ-CZ 3.67Å; F570-Y613 VanDerWaalsContact CZ-OH 3.3Å; F570-Y613 WeakPolarHBondContact CZ-OH 3.32Å
571N27.1Very low24.6Very low144 Ų144131.4 Ų131.477%0.7768%0.683SS**SBendtrans-103.7-4.5175.4-74.8-20.8000113.2D569 N573D569-N571 PolarHBondContact OD1-N 3.28Å; N571-N573 PolarHBondContact O-N 2.94Å
572S23.6Very low24.4Very low67 Ų67130.3 Ų130.347%0.46968%0.683SS.*  trans-68.1101.8170.4144.10000110.3D569 D574D569-S572 PolarHBondContact OD1-N 3.34Å; D569-S572 WeakPolarHBondContact OD2-CB 3.45Å; S572-D574 PolarHBondContact O-N 2.94Å; S572-D574 VanDerWaalsContact O-N 3.15Å
573N27Very low24.3Very low158 Ų158125.3 Ų125.385%0.84568%0.678SS**  trans-74.920.6176.1-87.7-34.4000114.2N571 H575N571-N573 PolarHBondContact O-N 2.94Å; N573-H575 PolarHBondContact O-N 3.47Å
574D22.5Very low24Very low129 Ų129126.2 Ų126.269%0.6968%0.682SS**  trans-91.380.9-179.8-77.9-23.5000112.2S572S572-D574 PolarHBondContact O-N 2.94Å; S572-D574 VanDerWaalsContact O-N 3.15Å
575H24.3Very low23.9Very low162 Ų162125.1 Ų125.175%0.7568%0.683SS**  16396.2108.5-86.2-57000108.9N573 T577N573-H575 PolarHBondContact O-N 3.47Å; H575-T577 PolarHBondContact O-N 3.29Å
576Q21.1Very low23.6Very low181 Ų181123.9 Ų123.985%0.84669%0.687SS**  trans12.6100.5137.5-68.1176.8-100115.2
577T22.3Very low23.3Very low132 Ų132124.4 Ų124.481%0.8170%0.696SS**  -150.394.2127.924.30000109H575H575-T577 PolarHBondContact O-N 3.29Å
578T20.5Very low23.2Very low116 Ų116124.8 Ų124.871%0.71270%0.696SS**  trans57.4111.1141.755.80000119.8
579T20.7Very low22.9Very low120 Ų120128.1 Ų128.174%0.73672%0.719SS**  trans77.3104136.153.70000119.3
580T21.8Very low22.9Very low117 Ų117129.4 Ų129.472%0.71873%0.731SS**  trans55.2106.8135.254.20000118.2
581D22.6Very low22.4Very low145 Ų145130.1 Ų130.178%0.77574%0.744SS**  177.4121.1107.6-85.1-21.4000111.8
582N22.5Very low22.3Very low145 Ų145130.7 Ų130.778%0.77575%0.747SS**  trans-2.3112.5164.3-63.6-22.4000117.8
583V22.9Very low22.6Very low119 Ų119132.8 Ų132.872%0.72176%0.762SS**  trans-92.1101.7157.2179.10000107.4T585V583-T585 PolarHBondContact O-N 3.24Å
584N22.2Very low22.7Very low136 Ų136133.5 Ų133.573%0.72777%0.766SS**  trans-60116.8175.4-69.7-11.1000110.9
585T22.4Very low22.8Very low132 Ų132135 Ų13581%0.8177%0.768SS**  trans-79.9107.1159.6-27.30000107.2V583 T587V583-T585 PolarHBondContact O-N 3.24Å; T585-T587 PolarHBondContact O-N 3.02Å
586T21.7Very low22.9Very low115 Ų115133.5 Ų133.571%0.70677%0.773SS**  trans-83.8101.8174.3-42.70000109.1T588T586-T588 PolarHBondContact O-N 3.25Å
587T20.9Very low23Very low117 Ų117130.6 Ų130.672%0.71877%0.768SS**  trans-77.8100.3166-41.70000107.9T585 T589T585-T587 PolarHBondContact O-N 3.02Å; T587-T589 PolarHBondContact O-N 2.99Å
588T20.6Very low23.1Very low118 Ų118129.2 Ų129.272%0.72476%0.76SS**  trans-86.197.8169.4-3.20000108.2T586 T590T586-T588 PolarHBondContact O-N 3.25Å; T588-T590 PolarHBondContact O-N 2.84Å
589T19.3Very low23.2Very low126 Ų126130.1 Ų130.177%0.77377%0.765SS**  trans-71.8103.2164.436.90000109T587T587-T589 PolarHBondContact O-N 2.99Å
590T23.5Very low23.4Very low130 Ų130129.8 Ų129.880%0.79876%0.758SS**  trans-100.9118158.939.40000109T588T588-T590 PolarHBondContact O-N 2.84Å
591T21.6Very low23.6Very low123 Ų123128.7 Ų128.776%0.75576%0.761SS**  trans-63.4140.9179.346.90000112.9
592N25.1Very low24.1Very low156 Ų156125.7 Ų125.783%0.83475%0.748SS**  trans66.390.9156.8-62.1-5.5000118.6
593S28.2Very low24.9Very low112 Ų112124.8 Ų124.878%0.78375%0.747SS**  -179.5127.4125.352.80000109E595S593-E595 PolarHBondContact O-N 2.8Å
594D29.1Very low26.4Very low172 Ų172119.9 Ų119.992%0.9272%0.717SS**  trans-59.891.3-177.2-60.3-57.7000113
595E26.1Very low28.5Very low160 Ų160118.4 Ų118.475%0.74870%0.704SS**  trans-143132.1154.4-94.2-171.2170.800108.5S593 T597S593-E595 PolarHBondContact O-N 2.8Å; E595-T597 PolarHBondContact O-N 2.9Å; E595-T597 PolarHBondContact O-OG1 2.86Å
596P25.6Very low31Very low131 Ų131112.5 Ų112.585%0.85167%0.668SS**  trans-64.999.4178.726.5-30.9000108.8T598P596-T598 PolarHBondContact O-N 3.15Å
597T22.9Very low33.5Very low120 Ų120109.4 Ų109.474%0.73665%0.651SS**  trans-84.6100.1176.9-4.40000107.7E595 T599E595-T597 PolarHBondContact O-N 2.9Å; E595-T597 PolarHBondContact O-OG1 2.86Å; T597-T599 PolarHBondContact O-N 2.88Å; T597-T599 PolarHBondContact O-OG1 2.88Å; T597-T599 VanDerWaalsContact O-OG1 3.11Å
598T24.8Very low36.1Very low104 Ų104111 Ų11164%0.63865%0.648SS**  trans-53.6100.9171.5-37.20000108.8P596 L600P596-T598 PolarHBondContact O-N 3.15Å; T598-L600 PolarHBondContact O-N 3.48Å; T598-L600 VanDerWaalsContact O-N 3.11Å
599T23.6Very low38.8Very low134 Ų134113.3 Ų113.382%0.82265%0.648SS**  trans-87.283.7-175.3-4.10000107.6T597 A601T597-T599 PolarHBondContact O-N 2.88Å; T597-T599 PolarHBondContact O-OG1 2.88Å; T597-T599 VanDerWaalsContact O-OG1 3.11Å; T599-A601 PolarHBondContact O-N 2.76Å
600L25Very low41.9Very low113 Ų113108.8 Ų108.859%0.59262%0.619SS**  trans-62109171.6-14189.9000107.8T598 V602T598-L600 PolarHBondContact O-N 3.48Å; T598-L600 VanDerWaalsContact O-N 3.11Å; L600-V602 VanDerWaalsContact C-N 3.35Å; L600-V602 PolarHBondContact O-N 2.82Å
601A25.9Very low44.7Very low95 Ų95102.7 Ų102.779%0.78558%0.581SS**  trans-65.191.9178.100000110T599 V603T599-A601 PolarHBondContact O-N 2.76Å; A601-V603 PolarHBondContact O-N 2.92Å
602V31.8Very low47.7Very low82 Ų8299.9 Ų99.950%0.49756%0.562SS.*  trans-82.393.4-177.5164.20000110.3L600 N604L600-V602 VanDerWaalsContact C-N 3.35Å; L600-V602 PolarHBondContact O-N 2.82Å; V602-N604 HydrophobicContact CG1-CB 3.43Å; V602-N604 VanDerWaalsContact CG1-CB 3.43Å; V602-N604 VanDerWaalsContact CG1-ND2 3.27Å; V602-N604 WeakPolarHBondContact CG1-ND2 3.33Å; V602-N604 PolarHBondContact O-N 3Å; V602-N604 VanDerWaalsContact O-N 3.08Å
603V38.9Very low50.5Low125 Ų12595.1 Ų95.176%0.75853%0.532SS*.  trans-81.252.5163.6-167.90000109.8A601A601-V603 PolarHBondContact O-N 2.92Å
604N54.7Low53.2Low17 Ų1789.8 Ų89.89%0.09150%0.495CS..  trans-115.141.5-168.5-55.5-31000114.6W527 V602 N629W527-N604 PolarHBondContact NE1-OD1 3.41Å; V602-N604 HydrophobicContact CG1-CB 3.43Å; V602-N604 VanDerWaalsContact CG1-CB 3.43Å; V602-N604 VanDerWaalsContact CG1-ND2 3.27Å; V602-N604 WeakPolarHBondContact CG1-ND2 3.33Å; V602-N604 PolarHBondContact O-N 3Å; V602-N604 VanDerWaalsContact O-N 3.08Å; N604-N629 HydrophobicContact CB-CB 4.47Å; N604-N629 WeakPolarHBondContact O-CA 2.91Å; N604-N629 PolarHBondContact O-N 3.32Å
605K66.7Low56Low105 Ų10582.6 Ų82.646%0.45746%0.458SS..BIsolated β-bridgetrans-97.8130.2176-170.1165.4173.3165.90111.6S607 S631 W634K605-S607 PolarHBondContact O-N 3.23Å; K605-S607 VanDerWaalsContact O-N 3.13Å; K605-S631 WeakPolarHBondContact CE-OG 3.48Å; K605-S631 PolarHBondContact NZ-OG 2.84Å; K605-W634 HydrophobicContact CD-CZ2 4.09Å; K605-W634 HydrophobicContact CG-CH2 3.87Å; K605-W634 HydrophobicContact CG-CZ2 3.93Å
606I74.5Confident58.7Low7 Ų779.5 Ų79.54%0.03645%0.446CS..  trans-52.1119.3172.2-63.4178000109.9I69 A628 W634 V643 F646I69-I606 HydrophobicContact CD1-CD1 4.42Å; I69-I606 HydrophobicContact CG2-CD1 3.83Å; I606-A628 HydrophobicContact CG1-CB 4.01Å; I606-W634 HydrophobicContact CB-CH2 4.07Å; I606-W634 HydrophobicContact CB-CZ3 4.14Å; I606-W634 WeakPolarHBondContact O-CH2 3.27Å; I606-V643 HydrophobicContact CD1-CB 4.28Å; I606-V643 HydrophobicContact CD1-CG1 4.42Å; I606-V643 HydrophobicContact CD1-CG2 3.44Å; I606-V643 VanDerWaalsContact CD1-CG2 3.44Å; I606-F646 HydrophobicContact CG2-CB 3.33Å; I606-F646 HydrophobicContact CG2-CD1 4.1Å; I606-F646 HydrophobicContact CG2-CD2 4.04Å; I606-F646 HydrophobicContact CG2-CG 3.57Å
607S75.5Confident61.4Low51 Ų5174 Ų7436%0.35741%0.409SS..  trans-150.8166.3-174.871.90000112.5K605 K609 L610 S611K605-S607 PolarHBondContact O-N 3.23Å; K605-S607 VanDerWaalsContact O-N 3.13Å; S607-K609 VanDerWaalsContact C-N 3.31Å; S607-L610 PolarHBondContact O-N 3.29Å; S607-L610 PolarHBondContact OG-N 3.49Å; S607-S611 PolarHBondContact O-N 3.15Å
608K74.7Confident64.3Low150 Ų15068.4 Ų68.465%0.65238%0.375SS*.Hα-helixtrans-66.3-34.1172.5-172.7-176.4176.2-170.40111.7L610 S611 N612K608-L610 VanDerWaalsContact C-N 3.34Å; K608-S611 WeakPolarHBondContact CA-OG 3.29Å; K608-S611 PolarHBondContact O-N 2.96Å; K608-S611 PolarHBondContact O-OG 2.92Å; K608-N612 PolarHBondContact O-N 2.93Å
609K78Confident67Low166 Ų16668.1 Ų68.172%0.72237%0.37SS*.Hα-helixtrans-62.3-43.7175.1-170.1176.6-179.2-179.50110.5S607 S611 N612 Y613S607-K609 VanDerWaalsContact C-N 3.31Å; K609-S611 PolarHBondContact O-N 3.03Å; K609-N612 PolarHBondContact O-N 2.74Å; K609-Y613 WeakPolarHBondContact O-CB 3.46Å; K609-Y613 PolarHBondContact O-N 3.43Å
610L83Confident69.4Low32 Ų3264.9 Ų64.917%0.16835%0.353CS..Hα-helixtrans-59.2-46.8174.7-177.363.3000111.4S607 K608 N612 Y613 I614 A628 F646S607-L610 PolarHBondContact O-N 3.29Å; S607-L610 PolarHBondContact OG-N 3.49Å; K608-L610 VanDerWaalsContact C-N 3.34Å; L610-N612 VanDerWaalsContact C-N 3.29Å; L610-N612 PolarHBondContact O-N 3.43Å; L610-Y613 HydrophobicContact CD1-CD1 4.49Å; L610-Y613 PolarHBondContact O-N 3.07Å; L610-I614 HydrophobicContact CD1-CD1 4.47Å; L610-I614 HydrophobicContact CD1-CG1 4.48Å; L610-I614 HydrophobicContact CG-CD1 4.19Å; L610-I614 VanDerWaalsContact O-CG1 3.26Å; L610-I614 WeakPolarHBondContact O-CG1 3.49Å; L610-I614 PolarHBondContact O-N 2.97Å; L610-A628 HydrophobicContact CD2-CB 4.21Å; L610-F646 HydrophobicContact CB-CE2 4.19Å; L610-F646 HydrophobicContact CD2-CE2 3.86Å; L610-F646 HydrophobicContact CD2-CZ 4.09Å; L610-F646 HydrophobicContact CG-CE2 3.86Å; L610-F646 HydrophobicContact CG-CZ 4.34Å
611S83.9Confident71.9Confident1 Ų160.2 Ų60.21%0.00733%0.328CS..Hα-helixtrans-61.1-37179.553.40000113.4S607 K608 K609 V615S607-S611 PolarHBondContact O-N 3.15Å; K608-S611 WeakPolarHBondContact CA-OG 3.29Å; K608-S611 PolarHBondContact O-N 2.96Å; K608-S611 PolarHBondContact O-OG 2.92Å; K609-S611 PolarHBondContact O-N 3.03Å; S611-V615 VanDerWaalsContact O-CG2 3.3Å; S611-V615 WeakPolarHBondContact O-CG2 3.15Å; S611-V615 PolarHBondContact O-N 3.12Å
612N84.7Confident74.4Confident65 Ų6558.2 Ų58.235%0.34830%0.3SS..Hα-helixtrans-68.7-45.5176.9-70.1-3.5000110.7K608 K609 L610 I614 V615 D616K608-N612 PolarHBondContact O-N 2.93Å; K609-N612 PolarHBondContact O-N 2.74Å; L610-N612 VanDerWaalsContact C-N 3.29Å; L610-N612 PolarHBondContact O-N 3.43Å; N612-I614 VanDerWaalsContact C-N 3.26Å; N612-I614 PolarHBondContact O-N 3.42Å; N612-V615 WeakPolarHBondContact O-CA 3.33Å; N612-V615 WeakPolarHBondContact O-CB 3.37Å; N612-V615 PolarHBondContact O-N 3.24Å; N612-D616 VanDerWaalsContact O-CG 3.26Å; N612-D616 PolarHBondContact O-N 3.41Å
613Y82.6Confident76.8Confident55 Ų5554.4 Ų54.422%0.21628%0.277CS..Hα-helixtrans-56.5-39176.6176.8-105.8000112.9I568 F570 K609 L610 V615 D616 L617I568-Y613 WeakPolarHBondContact CD1-OH 3.47Å; F570-Y613 HydrophobicContact CE1-CE1 4.48Å; F570-Y613 AromaticContact CE1-CE2 3.81Å; F570-Y613 HydrophobicContact CE1-CE2 3.81Å; F570-Y613 AromaticContact CE1-CZ 3.81Å; F570-Y613 HydrophobicContact CZ-CE1 4.31Å; F570-Y613 HydrophobicContact CZ-CE2 4.12Å; F570-Y613 AromaticContact CZ-CZ 3.67Å; F570-Y613 VanDerWaalsContact CZ-OH 3.3Å; F570-Y613 WeakPolarHBondContact CZ-OH 3.32Å; K609-Y613 WeakPolarHBondContact O-CB 3.46Å; K609-Y613 PolarHBondContact O-N 3.43Å; L610-Y613 HydrophobicContact CD1-CD1 4.49Å; L610-Y613 PolarHBondContact O-N 3.07Å; Y613-V615 VanDerWaalsContact C-N 3.32Å; Y613-V615 PolarHBondContact O-N 2.85Å; Y613-D616 PolarHBondContact O-N 3.11Å; Y613-L617 HydrophobicContact CD1-CD1 4Å; Y613-L617 HydrophobicContact CD1-CG 4.44Å; Y613-L617 HydrophobicContact CE1-CD1 3.39Å; Y613-L617 HydrophobicContact CE1-CG 3.98Å; Y613-L617 HydrophobicContact CE2-CD2 4.45Å; Y613-L617 HydrophobicContact CE2-CG 4.28Å; Y613-L617 WeakPolarHBondContact O-CG 3.41Å; Y613-L617 PolarHBondContact O-N 3.11Å
614I85.3Confident78.8Confident0 Ų048.4 Ų48.40%024%0.241CC..Hα-helixtrans-63.5-39.9174.6-62.6178.5000111.8V65 I67 L610 N612 D616 L617 C618 V624 I626 F646 L650V65-I614 HydrophobicContact CG1-CG2 3.8Å; V65-I614 HydrophobicContact CG2-CG2 4.34Å; I67-I614 HydrophobicContact CD1-CD1 4.5Å; L610-I614 HydrophobicContact CD1-CD1 4.47Å; L610-I614 HydrophobicContact CD1-CG1 4.48Å; L610-I614 HydrophobicContact CG-CD1 4.19Å; L610-I614 VanDerWaalsContact O-CG1 3.26Å; L610-I614 WeakPolarHBondContact O-CG1 3.49Å; L610-I614 PolarHBondContact O-N 2.97Å; N612-I614 VanDerWaalsContact C-N 3.26Å; N612-I614 PolarHBondContact O-N 3.42Å; I614-D616 VanDerWaalsContact C-N 3.35Å; I614-L617 PolarHBondContact O-N 2.99Å; I614-C618 WeakPolarHBondContact O-CB 3.26Å; I614-C618 PolarHBondContact O-N 3.47Å; I614-C618 PolarHBondContact O-SG 3.03Å; I614-V624 HydrophobicContact CG2-CG1 4.35Å; I614-I626 HydrophobicContact CB-CD1 4.36Å; I614-I626 HydrophobicContact CD1-CD1 3.45Å; I614-I626 VanDerWaalsContact CD1-CD1 3.45Å; I614-I626 HydrophobicContact CG1-CD1 3.25Å; I614-I626 HydrophobicContact CG2-CD1 4.42Å; I614-F646 HydrophobicContact CD1-CE2 3.99Å; I614-F646 HydrophobicContact CD1-CZ 3.6Å; I614-L650 HydrophobicContact CB-CD1 3.76Å; I614-L650 HydrophobicContact CD1-CD1 4.42Å; I614-L650 HydrophobicContact CD1-CD2 4.38Å; I614-L650 HydrophobicContact CG2-CD1 3.55Å; I614-L650 HydrophobicContact CG2-CD2 4.38Å
615V86.7Confident80.1Confident22 Ų2248 Ų4813%0.13324%0.238CC..Hα-helixtrans-64.1-44.7177.7172.80000109.8S611 N612 Y613 L617 C618 D619 L650 T653 L654S611-V615 VanDerWaalsContact O-CG2 3.3Å; S611-V615 WeakPolarHBondContact O-CG2 3.15Å; S611-V615 PolarHBondContact O-N 3.12Å; N612-V615 WeakPolarHBondContact O-CA 3.33Å; N612-V615 WeakPolarHBondContact O-CB 3.37Å; N612-V615 PolarHBondContact O-N 3.24Å; Y613-V615 VanDerWaalsContact C-N 3.32Å; Y613-V615 PolarHBondContact O-N 2.85Å; V615-L617 PolarHBondContact O-N 2.84Å; V615-C618 WeakPolarHBondContact O-CB 3.32Å; V615-C618 PolarHBondContact O-N 3.1Å; V615-C618 VanDerWaalsContact O-N 3.08Å; V615-D619 PolarHBondContact O-N 3.25Å; V615-L650 HydrophobicContact CG2-CD1 4.15Å; V615-T653 HydrophobicContact CB-CG2 4.44Å; V615-T653 HydrophobicContact CG1-CG2 4.11Å; V615-T653 HydrophobicContact CG2-CG2 3.76Å; V615-L654 HydrophobicContact CG2-CD2 4.02Å; V615-L654 HydrophobicContact CG2-CG 4.28Å
616D83.7Confident80.7Confident95 Ų9543.1 Ų43.151%0.50822%0.217SC..Hα-helixtrans-63.3-41.5178-55.1-26.3000111.1N612 Y613 I614 C618 D619N612-D616 VanDerWaalsContact O-CG 3.26Å; N612-D616 PolarHBondContact O-N 3.41Å; Y613-D616 PolarHBondContact O-N 3.11Å; I614-D616 VanDerWaalsContact C-N 3.35Å; D616-C618 VanDerWaalsContact C-N 3.29Å; D616-C618 PolarHBondContact O-N 2.85Å; D616-D619 WeakPolarHBondContact O-CB 3.43Å; D616-D619 PolarHBondContact O-N 3.28Å; D616-D619 VanDerWaalsContact O-N 3.11Å
617L81.7Confident80.8Confident14 Ų1445.4 Ų45.47%0.07323%0.227CC..Hα-helixtrans-59.8-39.8172.5-76179.5000111.9A525 I568 Y613 I614 V615 D619 S620 H621 V624A525-L617 HydrophobicContact CB-CD1 4Å; A525-L617 HydrophobicContact CB-CD2 4.19Å; I568-L617 HydrophobicContact CD1-CD2 4.18Å; Y613-L617 HydrophobicContact CD1-CD1 4Å; Y613-L617 HydrophobicContact CD1-CG 4.44Å; Y613-L617 HydrophobicContact CE1-CD1 3.39Å; Y613-L617 HydrophobicContact CE1-CG 3.98Å; Y613-L617 HydrophobicContact CE2-CD2 4.45Å; Y613-L617 HydrophobicContact CE2-CG 4.28Å; Y613-L617 WeakPolarHBondContact O-CG 3.41Å; Y613-L617 PolarHBondContact O-N 3.11Å; I614-L617 PolarHBondContact O-N 2.99Å; V615-L617 PolarHBondContact O-N 2.84Å; L617-D619 PolarHBondContact O-N 2.66Å; L617-S620 PolarHBondContact O-N 2.79Å; L617-S620 VanDerWaalsContact O-N 3.12Å; L617-S620 PolarHBondContact O-OG 2.71Å; L617-H621 WeakPolarHBondContact O-CA 3.44Å; L617-H621 VanDerWaalsContact O-CB 3.27Å; L617-H621 WeakPolarHBondContact O-CB 3.49Å; L617-H621 PolarHBondContact O-N 3.34Å; L617-H621 PolarHBondContact O-ND1 2.86Å; L617-V624 HydrophobicContact CB-CG1 4.44Å; L617-V624 HydrophobicContact CB-CG2 3.96Å; L617-V624 HydrophobicContact CD1-CG1 3.98Å
618C85.1Confident81Confident4 Ų443 Ų433%0.02721%0.211CC..Hα-helixtrans-68.2-11178.5-70.80000113.7N63 V65 I614 V615 D616 L654N63-C618 HydrophobicContact CB-CB 4.4Å; N63-C618 PolarHBondContact ND2-O 2.82Å; N63-C618 PolarHBondContact OD1-O 3.21Å; V65-C618 WeakPolarHBondContact CG2-SG 3.37Å; I614-C618 WeakPolarHBondContact O-CB 3.26Å; I614-C618 PolarHBondContact O-N 3.47Å; I614-C618 PolarHBondContact O-SG 3.03Å; V615-C618 WeakPolarHBondContact O-CB 3.32Å; V615-C618 PolarHBondContact O-N 3.1Å; V615-C618 VanDerWaalsContact O-N 3.08Å; D616-C618 VanDerWaalsContact C-N 3.29Å; D616-C618 PolarHBondContact O-N 2.85Å; C618-L654 HydrophobicContact CB-CD2 3.89Å; C618-L654 VanDerWaalsContact SG-CD2 3.56Å
619D80.6Confident81.1Confident97 Ų9737.5 Ų37.552%0.51919%0.189SC..Hα-helixtrans-76.2-30.7171.6-72.9-27.5000112.2V615 D616 L617 K655V615-D619 PolarHBondContact O-N 3.25Å; D616-D619 WeakPolarHBondContact O-CB 3.43Å; D616-D619 PolarHBondContact O-N 3.28Å; D616-D619 VanDerWaalsContact O-N 3.11Å; L617-D619 PolarHBondContact O-N 2.66Å; D619-K655 WeakPolarHBondContact OD1-CE 3.31Å; D619-K655 IonicContact OD1-NZ 2.79Å; D619-K655 PolarHBondContact OD1-NZ 3.48Å
620S74.2Confident81.1Confident66 Ų6629.7 Ų29.746%0.46216%0.155SC..Hα-helixtrans-109.1-19.2-177.245.80000113.7T523 L617T523-S620 WeakPolarHBondContact CB-O 3.49Å; T523-S620 PolarHBondContact OG1-O 3.04Å; L617-S620 PolarHBondContact O-N 2.79Å; L617-S620 VanDerWaalsContact O-N 3.12Å; L617-S620 PolarHBondContact O-OG 2.71Å
621H77.2Confident80.9Confident16 Ų1628.8 Ų28.87%0.07415%0.151CC..  trans-123.8131.6-172.1-57.277.9000112.4N63 T523 Y524 L617 V624N63-H621 PolarHBondContact OD1-O 3.23Å; T523-H621 CarbonylContact O-C 3.54Å; T523-H621 WeakPolarHBondContact O-CA 3.32Å; T523-H621 WeakPolarHBondContact OG1-CA 3.42Å; Y524-H621 PolarHBondContact O-CD2 3.18Å; L617-H621 WeakPolarHBondContact O-CA 3.44Å; L617-H621 VanDerWaalsContact O-CB 3.27Å; L617-H621 WeakPolarHBondContact O-CB 3.49Å; L617-H621 PolarHBondContact O-N 3.34Å; L617-H621 PolarHBondContact O-ND1 2.86Å; H621-V624 HydrophobicContact CB-CG2 4Å
622R78.1Confident80.4Confident53 Ų5333.5 Ų33.520%0.218%0.182CC..SBendtrans-81.1-25.2178.1-176.1149.3171.176.14.7112.7T40 I61 K62 N63 I64 I522 T523T40-R622 PolarHBondContact O-NH2 2.98Å; I61-R622 VanDerWaalsContact O-CZ 3.25Å; I61-R622 PolarHBondContact O-NH1 2.94Å; I61-R622 PolarHBondContact O-NH2 2.81Å; K62-R622 PolarHBondContact O-NH1 3.09Å; N63-R622 CarbonylContact C-O 3.56Å; N63-R622 WeakPolarHBondContact CA-O 3.48Å; I64-R622 PolarHBondContact N-O 2.97Å; I522-R622 HydrophobicContact CG2-CB 3.58Å; I522-R622 HydrophobicContact CG2-CG 4.12Å; T523-R622 PolarHBondContact O-N 3.48Å
623L82.3Confident80Confident1 Ų138.3 Ų38.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-127126.6173.8175.669.4000110L37 I41 I64 F513 L517 Y524 A525 M625L37-L623 HydrophobicContact CD2-CD1 4.35Å; I41-L623 HydrophobicContact CD1-CB 4.32Å; I41-L623 HydrophobicContact CD1-CD2 4.13Å; I64-L623 HydrophobicContact CB-CD1 3.81Å; I64-L623 HydrophobicContact CG2-CD1 3.75Å; I64-L623 CarbonylContact O-C 3.5Å; I64-L623 WeakPolarHBondContact O-CA 3.38Å; F513-L623 HydrophobicContact CD1-CD2 4.4Å; F513-L623 HydrophobicContact CE1-CD2 3.29Å; F513-L623 HydrophobicContact CZ-CD2 3.77Å; L517-L623 HydrophobicContact CD1-CD2 4.25Å; Y524-L623 CarbonylContact C-O 3.54Å; Y524-L623 WeakPolarHBondContact CA-O 3.3Å; Y524-L623 WeakPolarHBondContact CB-O 3.46Å; A525-L623 PolarHBondContact N-O 2.87Å; L623-M625 HydrophobicContact CD1-CG 4.21Å; L623-M625 HydrophobicContact CD2-CG 4.4Å; L623-M625 HydrophobicContact CD2-SD 4.19Å; L623-M625 HydrophobicContact CG-CG 4.23Å
624V82.6Confident79.7Confident0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-125.3118.7176179.60000108.2I64 V65 L66 I614 L617 H621 I626I64-V624 PolarHBondContact O-N 2.78Å; V65-V624 CarbonylContact C-O 3.56Å; V65-V624 VanDerWaalsContact CA-O 3.29Å; V65-V624 WeakPolarHBondContact CA-O 3.27Å; V65-V624 HydrophobicContact CG2-CB 4.48Å; L66-V624 PolarHBondContact N-O 3.01Å; I614-V624 HydrophobicContact CG2-CG1 4.35Å; L617-V624 HydrophobicContact CB-CG1 4.44Å; L617-V624 HydrophobicContact CB-CG2 3.96Å; L617-V624 HydrophobicContact CD1-CG1 3.98Å; H621-V624 HydrophobicContact CB-CG2 4Å; V624-I626 HydrophobicContact CG1-CD1 3.6Å; V624-I626 HydrophobicContact CG1-CG1 3.92Å
625M81.5Confident79.4Confident8 Ų841.5 Ų41.54%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-116.8122.9178.5-75.3-179.962.100109.4L66 F68 I109 A525 Y526 W527 L623L66-M625 HydrophobicContact CB-CG 4.09Å; L66-M625 HydrophobicContact CD1-CG 4.36Å; L66-M625 CarbonylContact O-C 3.59Å; L66-M625 VanDerWaalsContact O-CA 3.32Å; L66-M625 WeakPolarHBondContact O-CA 3.28Å; F68-M625 HydrophobicContact CE2-CB 4.44Å; F68-M625 HydrophobicContact CE2-CE 3.78Å; F68-M625 HydrophobicContact CZ-CE 3.86Å; I109-M625 HydrophobicContact CB-CE 4.3Å; I109-M625 HydrophobicContact CD1-CE 3.4Å; I109-M625 VanDerWaalsContact CD1-CE 3.4Å; I109-M625 HydrophobicContact CD1-SD 4.19Å; I109-M625 HydrophobicContact CG1-CE 4.41Å; I109-M625 HydrophobicContact CG2-CE 4.43Å; I109-M625 HydrophobicContact CG2-SD 4.14Å; A525-M625 PolarHBondContact O-N 2.81Å; Y526-M625 CarbonylContact C-O 3.55Å; Y526-M625 WeakPolarHBondContact CA-O 3.44Å; Y526-M625 HydrophobicContact CD2-CB 3.52Å; Y526-M625 HydrophobicContact CD2-CE 3.85Å; Y526-M625 HydrophobicContact CD2-CG 4.49Å; Y526-M625 HydrophobicContact CD2-SD 4.29Å; Y526-M625 HydrophobicContact CE2-CB 4.17Å; Y526-M625 HydrophobicContact CE2-CE 3.81Å; W527-M625 PolarHBondContact N-O 3.07Å; L623-M625 HydrophobicContact CD1-CG 4.21Å; L623-M625 HydrophobicContact CD2-CG 4.4Å; L623-M625 HydrophobicContact CD2-SD 4.19Å; L623-M625 HydrophobicContact CG-CG 4.23Å
626I79.5Confident78.9Confident3 Ų345.6 Ų45.62%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-134.7130.2-172.4-70.5172.3000111.3L66 I67 F68 W527 I614 V624L66-I626 PolarHBondContact O-N 3.39Å; I67-I626 CarbonylContact C-O 3.42Å; I67-I626 VanDerWaalsContact CA-O 3.32Å; I67-I626 WeakPolarHBondContact CA-O 3.33Å; F68-I626 PolarHBondContact N-O 2.83Å; W527-I626 HydrophobicContact CB-CG1 4.45Å; W527-I626 CarbonylContact O-C 3.49Å; I614-I626 HydrophobicContact CB-CD1 4.36Å; I614-I626 HydrophobicContact CD1-CD1 3.45Å; I614-I626 VanDerWaalsContact CD1-CD1 3.45Å; I614-I626 HydrophobicContact CG1-CD1 3.25Å; I614-I626 HydrophobicContact CG2-CD1 4.42Å; V624-I626 HydrophobicContact CG1-CD1 3.6Å; V624-I626 HydrophobicContact CG1-CG1 3.92Å
627Q76.4Confident78.7Confident54 Ų5443.6 Ų43.625%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-93.2123.7164.7-164.8170.8-18.900110.4F68 N70 W527 P528F68-Q627 HydrophobicContact CB-CG 4.42Å; F68-Q627 WeakPolarHBondContact O-CA 3.27Å; N70-Q627 PolarHBondContact ND2-NE2 2.77Å; W527-Q627 WeakPolarHBondContact O-CB 3.28Å; W527-Q627 PolarHBondContact O-N 2.97Å; P528-Q627 HydrophobicContact CG-CB 4.16Å
628A79.7Confident78.7Confident1 Ų147.2 Ų47.21%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-124.8139.917600000110.3F68 I69 N70 I606 L610F68-A628 PolarHBondContact O-N 3.28Å; I69-A628 WeakPolarHBondContact CA-O 3.17Å; N70-A628 PolarHBondContact N-O 3.47Å; I606-A628 HydrophobicContact CG1-CB 4.01Å; L610-A628 HydrophobicContact CD2-CB 4.21Å
629N76.4Confident78.5Confident35 Ų3547.4 Ų47.419%0.18725%0.25CS..EExtended strand (participates in β ladder)trans-111.4136178.1-64-32.6000109.8N70 N604N70-N629 VanDerWaalsContact CB-OD1 3.28Å; N70-N629 WeakPolarHBondContact CB-OD1 2.84Å; N70-N629 PolarHBondContact ND2-OD1 3.17Å; N604-N629 HydrophobicContact CB-CB 4.47Å; N604-N629 WeakPolarHBondContact O-CA 2.91Å; N604-N629 PolarHBondContact O-N 3.32Å
630C78.4Confident78.4Confident1 Ų143 Ų431%0.00723%0.226CC..  trans-68.8143.4163.8-71.20000110.2N70 R71 V72 W634 C639N70-C630 PolarHBondContact O-N 2.75Å; N70-C630 VanDerWaalsContact O-N 3.12Å; R71-C630 HydrophobicContact CB-CB 4.04Å; R71-C630 WeakPolarHBondContact CD-O 3.45Å; R71-C630 PolarHBondContact NH1-O 3.31Å; R71-C630 VanDerWaalsContact NH1-O 3.12Å; V72-C630 WeakPolarHBondContact CG2-SG 3.35Å; C630-W634 HydrophobicContact CB-CE3 3.83Å; C630-W634 HydrophobicContact CB-CZ3 4.15Å; C630-C639 HydrophobicContact CB-CB 4.5Å
631S77.4Confident78.8Confident14 Ų1442.3 Ų42.310%0.09822%0.216CC..  trans-54.1135.4174.4-151.80000109.4K605 E633 W634K605-S631 WeakPolarHBondContact CE-OG 3.48Å; K605-S631 PolarHBondContact NZ-OG 2.84Å; S631-E633 PolarHBondContact O-N 3.22Å; S631-W634 VanDerWaalsContact CB-CD1 3.48Å; S631-W634 VanDerWaalsContact CB-CD2 3.46Å; S631-W634 VanDerWaalsContact CB-CE2 3.48Å; S631-W634 PolarHBondContact O-N 3.28Å; S631-W634 VanDerWaalsContact O-N 3.1Å
632P73.5Confident79.1Confident99 Ų9945.8 Ų45.864%0.64323%0.231SC*.THydrogen-bonded Turntrans-61.6-25.1174.99.8-7.5000112.2R71 W634R71-P632 VanDerWaalsContact NH1-CB 3.31Å; P632-W634 VanDerWaalsContact C-N 3.28Å; P632-W634 PolarHBondContact O-N 3.46Å
633E76.1Confident79.4Confident166 Ų16643.2 Ų43.278%0.77622%0.221SC*.THydrogen-bonded Turntrans-80.21.7177.3-58.9-168-134.200115.4S631S631-E633 PolarHBondContact O-N 3.22Å
634W77.7Confident79.4Confident25 Ų2543.3 Ų43.310%0.09522%0.221CC..  trans-91.9126.9176.8-67.7-5.9000110K605 I606 C630 S631 P632 K638 C639 K642K605-W634 HydrophobicContact CD-CZ2 4.09Å; K605-W634 HydrophobicContact CG-CH2 3.87Å; K605-W634 HydrophobicContact CG-CZ2 3.93Å; I606-W634 HydrophobicContact CB-CH2 4.07Å; I606-W634 HydrophobicContact CB-CZ3 4.14Å; I606-W634 WeakPolarHBondContact O-CH2 3.27Å; C630-W634 HydrophobicContact CB-CE3 3.83Å; C630-W634 HydrophobicContact CB-CZ3 4.15Å; S631-W634 VanDerWaalsContact CB-CD1 3.48Å; S631-W634 VanDerWaalsContact CB-CD2 3.46Å; S631-W634 VanDerWaalsContact CB-CE2 3.48Å; S631-W634 PolarHBondContact O-N 3.28Å; S631-W634 VanDerWaalsContact O-N 3.1Å; P632-W634 VanDerWaalsContact C-N 3.28Å; P632-W634 PolarHBondContact O-N 3.46Å; W634-K638 HydrophobicContact CB-CB 4.21Å; W634-K638 HydrophobicContact CB-CD 4.24Å; W634-K638 HydrophobicContact CB-CG 4.14Å; W634-K638 HydrophobicContact CD2-CG 4.48Å; W634-K638 HydrophobicContact CG-CD 3.98Å; W634-K638 HydrophobicContact CG-CG 3.93Å; W634-C639 WeakPolarHBondContact CB-SG 3.3Å; W634-K642 HydrophobicContact CD2-CG 4.35Å; W634-K642 HydrophobicContact CE3-CB 4.13Å; W634-K642 HydrophobicContact CE3-CG 4.25Å; W634-K642 HydrophobicContact CH2-CB 3.69Å; W634-K642 HydrophobicContact CH2-CD 4.24Å; W634-K642 HydrophobicContact CH2-CG 3.77Å; W634-K642 HydrophobicContact CZ2-CB 4.29Å; W634-K642 HydrophobicContact CZ2-CD 4.14Å; W634-K642 HydrophobicContact CZ2-CG 3.83Å; W634-K642 HydrophobicContact CZ3-CB 3.6Å; W634-K642 HydrophobicContact CZ3-CG 3.99Å
635D79.1Confident79.4Confident98 Ų9849.1 Ų49.152%0.52425%0.247SC..  trans-64.4166.9164.868.759.9000110.9A637 K638 C639D635-A637 VanDerWaalsContact C-N 3.3Å; D635-A637 PolarHBondContact O-N 3.36Å; D635-A637 WeakPolarHBondContact OD1-CA 3.36Å; D635-A637 WeakPolarHBondContact OD1-CB 3.47Å; D635-A637 PolarHBondContact OD1-N 2.8Å; D635-K638 PolarHBondContact O-N 2.85Å; D635-K638 WeakPolarHBondContact OD1-CB 3.33Å; D635-K638 PolarHBondContact OD1-N 3.12Å; D635-C639 PolarHBondContact O-N 2.63Å; D635-C639 PolarHBondContact O-SG 3.4Å
636K75.9Confident79.6Confident107 Ų10749.1 Ų49.147%0.46525%0.247SC..Hα-helixtrans-54.3-43.1-178.5-179.3177.4171.8-166.80112.4E79 Y640E79-K636 IonicContact OE1-NZ 3.21Å; K636-Y640 HydrophobicContact CD-CE2 4.08Å; K636-Y640 VanDerWaalsContact CE-CE2 3.45Å; K636-Y640 HydrophobicContact CG-CD2 4Å; K636-Y640 HydrophobicContact CG-CE2 3.4Å; K636-Y640 WeakPolarHBondContact O-CD2 3.32Å; K636-Y640 PolarHBondContact O-N 3.41Å; K636-Y640 VanDerWaalsContact O-N 3.16Å
637A78.5Confident79.9Confident53 Ų5349.1 Ų49.144%0.43825%0.247SC..Hα-helixtrans-69.9-40.4-178.900000112D635 Y640 H641D635-A637 VanDerWaalsContact C-N 3.3Å; D635-A637 PolarHBondContact O-N 3.36Å; D635-A637 WeakPolarHBondContact OD1-CA 3.36Å; D635-A637 WeakPolarHBondContact OD1-CB 3.47Å; D635-A637 PolarHBondContact OD1-N 2.8Å; A637-Y640 PolarHBondContact O-N 3.07Å; A637-H641 WeakPolarHBondContact O-CB 3.47Å; A637-H641 PolarHBondContact O-N 3.45Å
638K81.9Confident80.1Confident91 Ų9149.6 Ų49.640%0.39625%0.254SS..Hα-helixtrans-66.4-40.3176-171.8173.3-179.7-178.20111.5W634 D635 H641 K642W634-K638 HydrophobicContact CB-CB 4.21Å; W634-K638 HydrophobicContact CB-CD 4.24Å; W634-K638 HydrophobicContact CB-CG 4.14Å; W634-K638 HydrophobicContact CD2-CG 4.48Å; W634-K638 HydrophobicContact CG-CD 3.98Å; W634-K638 HydrophobicContact CG-CG 3.93Å; D635-K638 PolarHBondContact O-N 2.85Å; D635-K638 WeakPolarHBondContact OD1-CB 3.33Å; D635-K638 PolarHBondContact OD1-N 3.12Å; K638-H641 PolarHBondContact O-N 2.84Å; K638-K642 WeakPolarHBondContact O-CB 3.45Å; K638-K642 VanDerWaalsContact O-CG 3.25Å; K638-K642 WeakPolarHBondContact O-CG 3.29Å; K638-K642 PolarHBondContact O-N 3.27Å
639C81.8Confident80.3Confident8 Ų853.1 Ų53.15%0.05427%0.269CS..Hα-helixtrans-54.2-57.5170.7-77.60000110.5C630 W634 D635 H641 K642 V643C630-C639 HydrophobicContact CB-CB 4.5Å; W634-C639 WeakPolarHBondContact CB-SG 3.3Å; D635-C639 PolarHBondContact O-N 2.63Å; D635-C639 PolarHBondContact O-SG 3.4Å; C639-H641 PolarHBondContact O-N 2.84Å; C639-K642 PolarHBondContact O-N 2.85Å; C639-V643 WeakPolarHBondContact O-CG2 3.16Å; C639-V643 PolarHBondContact O-N 2.85Å
640Y79Confident80.8Confident4 Ų451.5 Ų51.52%0.01626%0.26CS..Hα-helixtrans-61.8-41.6-179.4-68.3-59.9000113.3V72 N73 T74 V75 K636 A637 K642 V643 S644V72-Y640 HydrophobicContact CG1-CD1 3.78Å; V72-Y640 HydrophobicContact CG1-CE1 3.38Å; N73-Y640 VanDerWaalsContact C-OH 3.25Å; N73-Y640 WeakPolarHBondContact O-CE1 3.47Å; N73-Y640 PolarHBondContact O-OH 2.92Å; T74-Y640 PolarHBondContact O-OH 2.98Å; V75-Y640 HydrophobicContact CB-CE1 4.5Å; V75-Y640 HydrophobicContact CG2-CD1 3.99Å; V75-Y640 HydrophobicContact CG2-CE1 3.53Å; K636-Y640 HydrophobicContact CD-CE2 4.08Å; K636-Y640 VanDerWaalsContact CE-CE2 3.45Å; K636-Y640 HydrophobicContact CG-CD2 4Å; K636-Y640 HydrophobicContact CG-CE2 3.4Å; K636-Y640 WeakPolarHBondContact O-CD2 3.32Å; K636-Y640 PolarHBondContact O-N 3.41Å; K636-Y640 VanDerWaalsContact O-N 3.16Å; A637-Y640 PolarHBondContact O-N 3.07Å; Y640-K642 VanDerWaalsContact C-N 3.31Å; Y640-K642 PolarHBondContact O-N 3.03Å; Y640-V643 PolarHBondContact O-N 3.09Å; Y640-S644 WeakPolarHBondContact O-CB 3.16Å; Y640-S644 PolarHBondContact O-N 3.17Å
641H80.9Confident81Confident52 Ų5252.8 Ų52.824%0.24127%0.265CS..Hα-helixtrans-58.9-44.4176.9178.165.2000111.7Y81 A637 K638 C639 K645Y81-H641 HydrophobicContact CD1-CB 4.46Å; Y81-H641 HydrophobicContact CE1-CB 4.03Å; Y81-H641 AromaticContact CE1-ND1 3.38Å; Y81-H641 WeakPolarHBondContact CE1-ND1 3.46Å; Y81-H641 HydrophobicContact CE2-CB 4.31Å; Y81-H641 AromaticContact CZ-ND1 3.79Å; A637-H641 WeakPolarHBondContact O-CB 3.47Å; A637-H641 PolarHBondContact O-N 3.45Å; K638-H641 PolarHBondContact O-N 2.84Å; C639-H641 PolarHBondContact O-N 2.84Å; H641-K645 WeakPolarHBondContact CE1-CE 3.27Å; H641-K645 PolarHBondContact CE1-NZ 3.3Å; H641-K645 PolarHBondContact NE2-NZ 3Å; H641-K645 VanDerWaalsContact O-CB 3.3Å; H641-K645 WeakPolarHBondContact O-CB 3.49Å; H641-K645 WeakPolarHBondContact O-CG 3.48Å; H641-K645 PolarHBondContact O-N 2.94Å
642K84.1Confident81.2Confident88 Ų8856 Ų5638%0.38329%0.288SS..Hα-helixtrans-69.4-41.5179.3-71.1-73.2-176.1175.20111.9W634 K638 C639 Y640 F646W634-K642 HydrophobicContact CD2-CG 4.35Å; W634-K642 HydrophobicContact CE3-CB 4.13Å; W634-K642 HydrophobicContact CE3-CG 4.25Å; W634-K642 HydrophobicContact CH2-CB 3.69Å; W634-K642 HydrophobicContact CH2-CD 4.24Å; W634-K642 HydrophobicContact CH2-CG 3.77Å; W634-K642 HydrophobicContact CZ2-CB 4.29Å; W634-K642 HydrophobicContact CZ2-CD 4.14Å; W634-K642 HydrophobicContact CZ2-CG 3.83Å; W634-K642 HydrophobicContact CZ3-CB 3.6Å; W634-K642 HydrophobicContact CZ3-CG 3.99Å; K638-K642 WeakPolarHBondContact O-CB 3.45Å; K638-K642 VanDerWaalsContact O-CG 3.25Å; K638-K642 WeakPolarHBondContact O-CG 3.29Å; K638-K642 PolarHBondContact O-N 3.27Å; C639-K642 PolarHBondContact O-N 2.85Å; Y640-K642 VanDerWaalsContact C-N 3.31Å; Y640-K642 PolarHBondContact O-N 3.03Å; K642-F646 VanDerWaalsContact O-CB 3.24Å; K642-F646 WeakPolarHBondContact O-CB 3.31Å; K642-F646 PolarHBondContact O-N 3.3Å
643V84.9Confident81.8Confident0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-67.2-45.9177.2-172.90000110.5I69 V72 F85 I606 C639 Y640 F646 C647I69-V643 HydrophobicContact CD1-CG1 3.48Å; I69-V643 VanDerWaalsContact CD1-CG1 3.48Å; I69-V643 HydrophobicContact CG2-CG1 4.44Å; I69-V643 HydrophobicContact CG2-CG2 4.25Å; V72-V643 HydrophobicContact CG2-CG2 3.66Å; F85-V643 HydrophobicContact CE1-CG1 4.2Å; F85-V643 HydrophobicContact CZ-CB 3.92Å; F85-V643 HydrophobicContact CZ-CG1 3.6Å; I606-V643 HydrophobicContact CD1-CB 4.28Å; I606-V643 HydrophobicContact CD1-CG1 4.42Å; I606-V643 HydrophobicContact CD1-CG2 3.44Å; I606-V643 VanDerWaalsContact CD1-CG2 3.44Å; C639-V643 WeakPolarHBondContact O-CG2 3.16Å; C639-V643 PolarHBondContact O-N 2.85Å; Y640-V643 PolarHBondContact O-N 3.09Å; V643-F646 WeakPolarHBondContact O-CB 3.37Å; V643-F646 PolarHBondContact O-N 2.86Å; V643-C647 WeakPolarHBondContact O-CB 3.39Å; V643-C647 PolarHBondContact O-N 3.18Å; V643-C647 PolarHBondContact O-SG 3.15Å; V643-C647 VanDerWaalsContact O-SG 3.36Å
644S81.9Confident82.3Confident2 Ų246.3 Ų46.31%0.01424%0.237CC..Hα-helixtrans-57.1-53.4176.3-178.10000110Q84 Y640 F646 C647 T648Q84-S644 PolarHBondContact OE1-OG 2.95Å; Q84-S644 VanDerWaalsContact OE1-OG 3.11Å; Y640-S644 WeakPolarHBondContact O-CB 3.16Å; Y640-S644 PolarHBondContact O-N 3.17Å; S644-F646 VanDerWaalsContact C-N 3.3Å; S644-F646 PolarHBondContact O-N 3.12Å; S644-C647 PolarHBondContact O-N 3.49Å; S644-T648 WeakPolarHBondContact O-CB 3.31Å; S644-T648 PolarHBondContact O-N 3.42Å; S644-T648 PolarHBondContact O-OG1 3.19Å
645K82.8Confident82.6Confident123 Ų12349.8 Ų49.854%0.53525%0.253SS..Hα-helixtrans-57-41.8176.7-81.2-174.5165.3-175.90113.1H641 K649H641-K645 WeakPolarHBondContact CE1-CE 3.27Å; H641-K645 PolarHBondContact CE1-NZ 3.3Å; H641-K645 PolarHBondContact NE2-NZ 3Å; H641-K645 VanDerWaalsContact O-CB 3.3Å; H641-K645 WeakPolarHBondContact O-CB 3.49Å; H641-K645 WeakPolarHBondContact O-CG 3.48Å; H641-K645 PolarHBondContact O-N 2.94Å; K645-K649 VanDerWaalsContact O-CB 3.27Å; K645-K649 WeakPolarHBondContact O-CB 3.46Å; K645-K649 PolarHBondContact O-N 2.84Å
646F86.2Confident82.7Confident7 Ų750.1 Ų50.13%0.03125%0.252CS..Hα-helixtrans-63.8-51.8176.9164-100.5000111.6I67 I606 L610 I614 K642 V643 S644 T648 K649 L650I67-F646 HydrophobicContact CD1-CE1 3.76Å; I67-F646 HydrophobicContact CD1-CZ 4.03Å; I67-F646 HydrophobicContact CG2-CE1 4.27Å; I606-F646 HydrophobicContact CG2-CB 3.33Å; I606-F646 HydrophobicContact CG2-CD1 4.1Å; I606-F646 HydrophobicContact CG2-CD2 4.04Å; I606-F646 HydrophobicContact CG2-CG 3.57Å; L610-F646 HydrophobicContact CB-CE2 4.19Å; L610-F646 HydrophobicContact CD2-CE2 3.86Å; L610-F646 HydrophobicContact CD2-CZ 4.09Å; L610-F646 HydrophobicContact CG-CE2 3.86Å; L610-F646 HydrophobicContact CG-CZ 4.34Å; I614-F646 HydrophobicContact CD1-CE2 3.99Å; I614-F646 HydrophobicContact CD1-CZ 3.6Å; K642-F646 VanDerWaalsContact O-CB 3.24Å; K642-F646 WeakPolarHBondContact O-CB 3.31Å; K642-F646 PolarHBondContact O-N 3.3Å; V643-F646 WeakPolarHBondContact O-CB 3.37Å; V643-F646 PolarHBondContact O-N 2.86Å; S644-F646 VanDerWaalsContact C-N 3.3Å; S644-F646 PolarHBondContact O-N 3.12Å; F646-T648 PolarHBondContact O-N 3.26Å; F646-K649 PolarHBondContact O-N 2.86Å; F646-L650 HydrophobicContact CZ-CD2 4.44Å; F646-L650 WeakPolarHBondContact O-CB 3.39Å; F646-L650 PolarHBondContact O-N 3.16Å
647C85.5Confident83.1Confident3 Ų346 Ų462%0.0224%0.235CC..Hα-helixtrans-64.8-38.7179.6-66.40000111.8M88 F89 V643 S644 L650 Y651M88-C647 HydrophobicContact CE-CB 3.41Å; M88-C647 VanDerWaalsContact CE-CB 3.41Å; F89-C647 HydrophobicContact CE2-CB 4.07Å; F89-C647 HydrophobicContact CZ-CB 4.12Å; V643-C647 WeakPolarHBondContact O-CB 3.39Å; V643-C647 PolarHBondContact O-N 3.18Å; V643-C647 PolarHBondContact O-SG 3.15Å; V643-C647 VanDerWaalsContact O-SG 3.36Å; S644-C647 PolarHBondContact O-N 3.49Å; C647-L650 PolarHBondContact O-N 3.12Å; C647-Y651 WeakPolarHBondContact O-CB 3.46Å; C647-Y651 PolarHBondContact O-N 2.93Å
648T81.3Confident83.6Confident65 Ų6543.5 Ų43.540%0.39921%0.214SC..Hα-helixtrans-64.8-43.5174.3-59.10000111.8S644 F646 S652S644-T648 WeakPolarHBondContact O-CB 3.31Å; S644-T648 PolarHBondContact O-N 3.42Å; S644-T648 PolarHBondContact O-OG1 3.19Å; F646-T648 PolarHBondContact O-N 3.26Å; T648-S652 WeakPolarHBondContact O-CB 3.37Å; T648-S652 PolarHBondContact O-N 3.22Å; T648-S652 PolarHBondContact O-OG 3.09Å
649K83.9Confident84Confident74 Ų7439.3 Ų39.332%0.32220%0.196SC..Hα-helixtrans-63.7-44.2175.3179.755.2-178.3152.30111K645 F646 S652 T653K645-K649 VanDerWaalsContact O-CB 3.27Å; K645-K649 WeakPolarHBondContact O-CB 3.46Å; K645-K649 PolarHBondContact O-N 2.84Å; F646-K649 PolarHBondContact O-N 2.86Å; K649-S652 WeakPolarHBondContact CA-OG 3.4Å; K649-S652 PolarHBondContact O-N 3.5Å; K649-S652 PolarHBondContact O-OG 2.97Å; K649-T653 WeakPolarHBondContact CD-OG1 3.22Å; K649-T653 VanDerWaalsContact CE-OG1 3.27Å; K649-T653 WeakPolarHBondContact CE-OG1 3.34Å; K649-T653 PolarHBondContact NZ-OG1 3.21Å; K649-T653 VanDerWaalsContact O-CB 3.29Å; K649-T653 WeakPolarHBondContact O-CB 3.12Å; K649-T653 PolarHBondContact O-N 3.08Å; K649-T653 PolarHBondContact O-OG1 2.64Å
650L85.5Confident84.4Confident1 Ų139.1 Ų39.11%0.00519%0.194CC..Hα-helixtrans-61.7-50.7177.4-177.366.8000111.2V65 I67 I614 V615 F646 C647 S652 T653 L654V65-L650 HydrophobicContact CG1-CD2 4.33Å; I67-L650 HydrophobicContact CD1-CD2 3.38Å; I614-L650 HydrophobicContact CB-CD1 3.76Å; I614-L650 HydrophobicContact CD1-CD1 4.42Å; I614-L650 HydrophobicContact CD1-CD2 4.38Å; I614-L650 HydrophobicContact CG2-CD1 3.55Å; I614-L650 HydrophobicContact CG2-CD2 4.38Å; V615-L650 HydrophobicContact CG2-CD1 4.15Å; F646-L650 HydrophobicContact CZ-CD2 4.44Å; F646-L650 WeakPolarHBondContact O-CB 3.39Å; F646-L650 PolarHBondContact O-N 3.16Å; C647-L650 PolarHBondContact O-N 3.12Å; L650-S652 PolarHBondContact O-N 2.84Å; L650-T653 PolarHBondContact O-N 3.46Å; L650-T653 VanDerWaalsContact O-N 3.12Å; L650-L654 HydrophobicContact CD1-CD1 3.76Å; L650-L654 HydrophobicContact CD1-CD2 4.22Å; L650-L654 HydrophobicContact CD1-CG 3.79Å; L650-L654 HydrophobicContact CD2-CD1 4.26Å; L650-L654 HydrophobicContact CG-CD1 3.63Å; L650-L654 HydrophobicContact CG-CG 4.08Å; L650-L654 WeakPolarHBondContact O-CB 2.93Å; L650-L654 WeakPolarHBondContact O-CG 3.5Å; L650-L654 PolarHBondContact O-N 3.13Å
651Y83.8Confident84.9Confident29 Ų2939 Ų3911%0.11419%0.194CC..Hα-helixtrans-54.4-49.9176.4-176.8-87.1000111.3M88 C647 T653 I660 T693 L694 N695 S696 N697M88-Y651 HydrophobicContact CG-CD2 4.35Å; M88-Y651 HydrophobicContact CG-CG 4.45Å; M88-Y651 HydrophobicContact SD-CG 4.26Å; C647-Y651 WeakPolarHBondContact O-CB 3.46Å; C647-Y651 PolarHBondContact O-N 2.93Å; Y651-T653 VanDerWaalsContact C-N 3.27Å; Y651-T653 PolarHBondContact O-N 3.12Å; Y651-I660 HydrophobicContact CD2-CD1 3.87Å; Y651-T693 HydrophobicContact CD2-CG2 3.97Å; Y651-T693 HydrophobicContact CE2-CG2 3.92Å; Y651-L694 PolarHBondContact OH-O 2.91Å; Y651-N695 HydrophobicContact CD2-CB 4.39Å; Y651-N695 WeakPolarHBondContact CE1-OD1 3.38Å; Y651-N695 HydrophobicContact CE2-CB 4.13Å; Y651-N695 VanDerWaalsContact CZ-OD1 3.3Å; Y651-N695 PolarHBondContact O-ND2 3.42Å; Y651-N695 PolarHBondContact O-OD1 3.3Å; Y651-S696 PolarHBondContact OH-N 3.09Å; Y651-N697 PolarHBondContact OH-N 3.41Å; Y651-N697 PolarHBondContact OH-OD1 2.86Å
652S82Confident85.2Confident82 Ų8236.5 Ų36.557%0.57318%0.182SC*.Hα-helixtrans-68.4-17.6179.454.90000115.5T648 K649 L650T648-S652 WeakPolarHBondContact O-CB 3.37Å; T648-S652 PolarHBondContact O-N 3.22Å; T648-S652 PolarHBondContact O-OG 3.09Å; K649-S652 WeakPolarHBondContact CA-OG 3.4Å; K649-S652 PolarHBondContact O-N 3.5Å; K649-S652 PolarHBondContact O-OG 2.97Å; L650-S652 PolarHBondContact O-N 2.84Å
653T85.1Confident85.4Confident49 Ų4932.5 Ų32.530%0.30117%0.165SC..Hα-helixtrans-106.8-27.7-174.3-46.40000112.4V615 K649 L650 Y651V615-T653 HydrophobicContact CB-CG2 4.44Å; V615-T653 HydrophobicContact CG1-CG2 4.11Å; V615-T653 HydrophobicContact CG2-CG2 3.76Å; K649-T653 WeakPolarHBondContact CD-OG1 3.22Å; K649-T653 VanDerWaalsContact CE-OG1 3.27Å; K649-T653 WeakPolarHBondContact CE-OG1 3.34Å; K649-T653 PolarHBondContact NZ-OG1 3.21Å; K649-T653 VanDerWaalsContact O-CB 3.29Å; K649-T653 WeakPolarHBondContact O-CB 3.12Å; K649-T653 PolarHBondContact O-N 3.08Å; K649-T653 PolarHBondContact O-OG1 2.64Å; L650-T653 PolarHBondContact O-N 3.46Å; L650-T653 VanDerWaalsContact O-N 3.12Å; Y651-T653 VanDerWaalsContact C-N 3.27Å; Y651-T653 PolarHBondContact O-N 3.12Å
654L87Confident85.4Confident11 Ų1132.5 Ų32.56%0.05817%0.165CC..SBendtrans-62.2156.6175-77173.4000111.3V65 V615 C618 L650 I660 N695V65-L654 HydrophobicContact CG2-CD1 4.01Å; V65-L654 HydrophobicContact CG2-CD2 4.48Å; V615-L654 HydrophobicContact CG2-CD2 4.02Å; V615-L654 HydrophobicContact CG2-CG 4.28Å; C618-L654 HydrophobicContact CB-CD2 3.89Å; C618-L654 VanDerWaalsContact SG-CD2 3.56Å; L650-L654 HydrophobicContact CD1-CD1 3.76Å; L650-L654 HydrophobicContact CD1-CD2 4.22Å; L650-L654 HydrophobicContact CD1-CG 3.79Å; L650-L654 HydrophobicContact CD2-CD1 4.26Å; L650-L654 HydrophobicContact CG-CD1 3.63Å; L650-L654 HydrophobicContact CG-CG 4.08Å; L650-L654 WeakPolarHBondContact O-CB 2.93Å; L650-L654 WeakPolarHBondContact O-CG 3.5Å; L650-L654 PolarHBondContact O-N 3.13Å; L654-I660 HydrophobicContact CD1-CD1 3.68Å; L654-I660 HydrophobicContact CD1-CG1 3.82Å; L654-N695 VanDerWaalsContact C-ND2 3.32Å; L654-N695 PolarHBondContact O-ND2 2.94Å
655K82.9Confident85.2Confident98 Ų9833.1 Ų33.143%0.42617%0.168SC..PPolyproline II helixtrans-66.1152.5175.4-64.2175.9-174.9167.10110.8D619 S658 N695D619-K655 WeakPolarHBondContact OD1-CE 3.31Å; D619-K655 IonicContact OD1-NZ 2.79Å; D619-K655 PolarHBondContact OD1-NZ 3.48Å; K655-S658 WeakPolarHBondContact O-CB 3.33Å; K655-S658 PolarHBondContact O-N 3.29Å; K655-S658 PolarHBondContact O-OG 2.8Å; K655-N695 PolarHBondContact O-ND2 3.23Å; K655-N695 VanDerWaalsContact O-ND2 3.15Å
656E82.5Confident84.6Confident106 Ų10628.2 Ų28.250%0.49515%0.152SC..THydrogen-bonded Turntrans-55.1141.5173.2-164.3-173.316900110.6S658 N695E656-S658 VanDerWaalsContact C-N 3.31Å; E656-N695 CarbonylContact C-O 3.54Å; E656-N695 VanDerWaalsContact CA-O 3.3Å; E656-N695 WeakPolarHBondContact CA-O 3.33Å
657N83.8Confident83.3Confident20 Ų2030.9 Ų30.911%0.10717%0.172CC..THydrogen-bonded Turntrans66.425.8-176.3-49.6-41.5000114.8I18 F60 I61 K62 L694 N695 S696I18-N657 VanDerWaalsContact CD1-OD1 3.22Å; I18-N657 WeakPolarHBondContact CD1-OD1 3.42Å; F60-N657 WeakPolarHBondContact O-CB 3.39Å; I61-N657 CarbonylContact C-O 3.55Å; I61-N657 VanDerWaalsContact CA-O 3.28Å; I61-N657 WeakPolarHBondContact CA-O 3.36Å; K62-N657 PolarHBondContact N-O 3.11Å; N657-L694 HydrophobicContact CB-CD1 4.47Å; N657-N695 PolarHBondContact N-O 3.24Å; N657-S696 PolarHBondContact OD1-OG 2.82Å
658S89.1Confident81.6Confident0 Ų034 Ų340%019%0.188CC..  trans-78.5125.6164.2-56.20000109.6N63 K655 E656 N695N63-S658 CarbonylContact O-C 3.53Å; N63-S658 WeakPolarHBondContact O-CA 3.11Å; K655-S658 WeakPolarHBondContact O-CB 3.33Å; K655-S658 PolarHBondContact O-N 3.29Å; K655-S658 PolarHBondContact O-OG 2.8Å; E656-S658 VanDerWaalsContact C-N 3.31Å; S658-N695 PolarHBondContact O-N 2.94Å
659L89.7Confident80.1Confident4 Ų433 Ų332%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-82.4124.7174.9-178.269.1000108.8L19 L36 T40 I61 N63 I64 V65 I692 L694L19-L659 HydrophobicContact CD2-CD1 3.8Å; L36-L659 HydrophobicContact CD1-CD2 4.42Å; T40-L659 HydrophobicContact CG2-CD2 4.23Å; I61-L659 HydrophobicContact CG2-CB 3.67Å; N63-L659 PolarHBondContact O-N 2.76Å; I64-L659 CarbonylContact C-O 3.53Å; I64-L659 WeakPolarHBondContact CA-O 3.49Å; I64-L659 HydrophobicContact CG1-CB 4.24Å; I64-L659 HydrophobicContact CG1-CD2 4.29Å; I64-L659 HydrophobicContact CG2-CB 4.5Å; I64-L659 HydrophobicContact CG2-CD2 4.17Å; V65-L659 PolarHBondContact N-O 2.92Å; L659-I692 HydrophobicContact CD1-CD1 4.06Å; L659-I692 HydrophobicContact CD1-CG1 3.98Å; L659-L694 HydrophobicContact CB-CD1 4.27Å; L659-L694 HydrophobicContact CD1-CD1 4.44Å
660I90.1Very high78.2Confident3 Ų336.2 Ų36.22%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-119.6117.1-177.6-54.2166000107.9V65 F89 Y651 L654 V662 I692 T693 N695V65-I660 CarbonylContact O-C 3.59Å; V65-I660 WeakPolarHBondContact O-CA 3.03Å; F89-I660 HydrophobicContact CE1-CB 4.49Å; F89-I660 HydrophobicContact CE1-CG2 4.07Å; F89-I660 HydrophobicContact CZ-CG2 4.42Å; Y651-I660 HydrophobicContact CD2-CD1 3.87Å; L654-I660 HydrophobicContact CD1-CD1 3.68Å; L654-I660 HydrophobicContact CD1-CG1 3.82Å; I660-V662 HydrophobicContact CG2-CG2 4.19Å; I660-I692 WeakPolarHBondContact O-CA 3.39Å; I660-T693 HydrophobicContact CB-CG2 4.18Å; I660-T693 PolarHBondContact N-O 2.77Å; I660-T693 PolarHBondContact O-N 2.91Å; I660-N695 HydrophobicContact CD1-CB 4.32Å
661G90.1Very high76.2Confident1 Ų143 Ų431%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-111.6131170.900000110.5V65 L66 I67 Y691V65-G661 PolarHBondContact O-N 3.13Å; L66-G661 CarbonylContact C-O 3.59Å; L66-G661 WeakPolarHBondContact CA-O 3.39Å; I67-G661 PolarHBondContact N-O 3.12Å; G661-Y691 CarbonylContact C-O 3.52Å; G661-Y691 VanDerWaalsContact CA-O 3.31Å; G661-Y691 WeakPolarHBondContact CA-O 3.03Å
662V88.1Confident74.2Confident0 Ų046.3 Ų46.30%025%0.249CC..EExtended strand (participates in β ladder)trans-123.8120.9177.9-175.60000109I67 I69 F89 I660 F690 Y691I67-V662 HydrophobicContact CB-CG2 4.45Å; I67-V662 HydrophobicContact CD1-CG2 4.46Å; I67-V662 CarbonylContact O-C 3.38Å; I67-V662 WeakPolarHBondContact O-CA 3.49Å; I69-V662 HydrophobicContact CD1-CG1 3.56Å; I69-V662 HydrophobicContact CG1-CG1 3.97Å; F89-V662 HydrophobicContact CE1-CG2 3.92Å; F89-V662 HydrophobicContact CE2-CG2 4.45Å; F89-V662 HydrophobicContact CZ-CG2 3.64Å; I660-V662 HydrophobicContact CG2-CG2 4.19Å; V662-F690 WeakPolarHBondContact O-CA 3.38Å; V662-Y691 PolarHBondContact N-O 3.14Å; V662-Y691 PolarHBondContact O-N 3.41Å
663I87.4Confident72.4Confident4 Ų445.6 Ų45.62%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-105.4106.1176.6-64.3164.4000107.7I33 I67 F68 I69 W105 C688 N689 F690I33-I663 HydrophobicContact CD1-CD1 4.1Å; I67-I663 PolarHBondContact O-N 2.95Å; F68-I663 HydrophobicContact CD1-CB 3.96Å; F68-I663 HydrophobicContact CD1-CD1 3.72Å; F68-I663 HydrophobicContact CD1-CG1 4.38Å; F68-I663 HydrophobicContact CD1-CG2 4.34Å; F68-I663 HydrophobicContact CE1-CB 4.46Å; F68-I663 HydrophobicContact CE1-CD1 3.31Å; F68-I663 HydrophobicContact CE1-CG1 4.39Å; F68-I663 HydrophobicContact CZ-CD1 4.28Å; I69-I663 PolarHBondContact N-O 3.11Å; W105-I663 HydrophobicContact CD2-CD1 4.34Å; W105-I663 HydrophobicContact CE3-CD1 4.37Å; W105-I663 HydrophobicContact CH2-CD1 4Å; W105-I663 HydrophobicContact CZ2-CD1 3.88Å; W105-I663 HydrophobicContact CZ2-CG2 4.14Å; W105-I663 HydrophobicContact CZ3-CD1 4.22Å; I663-C688 HydrophobicContact CG2-CB 3.95Å; I663-N689 CarbonylContact C-O 3.47Å; I663-N689 WeakPolarHBondContact CA-O 3.35Å; I663-F690 HydrophobicContact CD1-CD2 4.15Å; I663-F690 HydrophobicContact CD1-CE2 4.43Å; I663-F690 HydrophobicContact CG1-CB 4.46Å; I663-F690 HydrophobicContact CG1-CD2 3.46Å; I663-F690 VanDerWaalsContact CG1-CD2 3.46Å; I663-F690 HydrophobicContact CG1-CE2 4.1Å; I663-F690 HydrophobicContact CG1-CG 4.38Å
664C84.7Confident70.7Confident1 Ų146.8 Ų46.81%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-94126.7178.2-67.80000110.6I69 V72 N689 Y691I69-C664 WeakPolarHBondContact O-CA 3.28Å; V72-C664 HydrophobicContact CB-CB 4.37Å; V72-C664 HydrophobicContact CG1-CB 4.28Å; C664-N689 PolarHBondContact N-O 3.46Å; C664-N689 PolarHBondContact O-N 3.49Å; C664-Y691 HydrophobicContact CB-CE2 4.17Å
665K77.3Confident69Low15 Ų1554.4 Ų54.47%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-123.7135.1179.4179.4-176.8168.1-167.10110.9I69 N70 R71 V72 E99 F669I69-K665 PolarHBondContact O-N 3.48Å; N70-K665 CarbonylContact C-O 3.43Å; R71-K665 PolarHBondContact N-O 3.31Å; V72-K665 PolarHBondContact N-O 2.89Å; V72-K665 CarbonylContact O-C 3.2Å; E99-K665 IonicContact OE1-NZ 2.74Å; E99-K665 PolarHBondContact OE1-NZ 3.38Å; E99-K665 WeakPolarHBondContact OE2-CD 3.3Å; E99-K665 VanDerWaalsContact OE2-CE 3.25Å; E99-K665 WeakPolarHBondContact OE2-CE 3.37Å; E99-K665 IonicContact OE2-NZ 3.79Å; E99-K665 PolarHBondContact OE2-NZ 2.96Å; K665-F669 HydrophobicContact CD-CB 4.39Å; K665-F669 HydrophobicContact CD-CD2 4.18Å; K665-F669 VanDerWaalsContact CE-CD2 3.48Å; K665-F669 VanDerWaalsContact CE-CG 3.44Å; K665-F669 HydrophobicContact CG-CD2 4.12Å
666G70.1Confident67.4Low19 Ų1959.5 Ų59.520%0.19630%0.303CS..  trans-76.3164.9174.100000113.9V72 N73 D668V72-G666 PolarHBondContact O-N 3.01Å; N73-G666 WeakPolarHBondContact OD1-CA 3.24Å; G666-D668 PolarHBondContact O-N 3.22Å
667S60.1Low66.2Low64 Ų6458.3 Ų58.345%0.44829%0.294SS..G310 helixtrans-65.6-15.9177.247.50000114.1F669 Q670S667-F669 PolarHBondContact O-N 3.29Å; S667-F669 VanDerWaalsContact O-N 3.15Å; S667-Q670 PolarHBondContact O-N 3.35Å
668D49.9Very low64.8Low69 Ų6961.6 Ų61.637%0.36932%0.315SS..G310 helixtrans-68.1-13.6-169.9-73.6-43000115.7G666G666-D668 PolarHBondContact O-N 3.22Å
669F49.2Very low63.1Low42 Ų4263.9 Ų63.918%0.18433%0.326CS..G310 helixtrans-83.6-26.2-177.1-117.9-69.3000114.4A100 K665 S667 K671 S685 A686A100-F669 HydrophobicContact CB-CE1 3.78Å; A100-F669 HydrophobicContact CB-CZ 3.89Å; K665-F669 HydrophobicContact CD-CB 4.39Å; K665-F669 HydrophobicContact CD-CD2 4.18Å; K665-F669 VanDerWaalsContact CE-CD2 3.48Å; K665-F669 VanDerWaalsContact CE-CG 3.44Å; K665-F669 HydrophobicContact CG-CD2 4.12Å; S667-F669 PolarHBondContact O-N 3.29Å; S667-F669 VanDerWaalsContact O-N 3.15Å; F669-K671 VanDerWaalsContact C-N 3.32Å; F669-S685 WeakPolarHBondContact CD2-O 3.25Å; F669-S685 WeakPolarHBondContact CE2-O 3.38Å; F669-A686 HydrophobicContact CE1-CB 4.39Å; F669-A686 HydrophobicContact CE2-CB 4.37Å; F669-A686 WeakPolarHBondContact CE2-O 3.26Å; F669-A686 HydrophobicContact CZ-CB 3.81Å; F669-A686 VanDerWaalsContact CZ-O 3.27Å; F669-A686 WeakPolarHBondContact CZ-O 3.49Å
670Q43.5Very low61.4Low143 Ų14366.2 Ų66.267%0.66835%0.345SS*.THydrogen-bonded Turntrans-78.2-21179-78.1-175.9-25.900111.9S667 P672S667-Q670 PolarHBondContact O-N 3.35Å; Q670-P672 WeakPolarHBondContact O-CD 3.34Å
671K44.6Very low59.9Low143 Ų14369.5 Ų69.562%0.62236%0.363SS*.SBendtrans-71.1123.4173.6-73.8-170.7-178.1-175.50108F669 L673F669-K671 VanDerWaalsContact C-N 3.32Å; K671-L673 PolarHBondContact O-N 3.31Å; K671-L673 VanDerWaalsContact O-N 3.12Å
672P40.7Very low58.5Low99 Ų9970 Ų7064%0.64337%0.366SS*.  trans-47.4125170.2-23.631.3000108.6F486 Q670 S674F486-P672 HydrophobicContact CE1-CB 4.18Å; Q670-P672 WeakPolarHBondContact O-CD 3.34Å; P672-S674 PolarHBondContact O-N 3.34Å
673L45.2Very low57.1Low67 Ų6773.3 Ų73.335%0.35138%0.383SS..  trans-55.8110.3178.5-72.2165.5000107.7K671 I682K671-L673 PolarHBondContact O-N 3.31Å; K671-L673 VanDerWaalsContact O-N 3.12Å; L673-I682 HydrophobicContact CD1-CG2 3.91Å; L673-I682 HydrophobicContact CD2-CG1 4.22Å; L673-I682 HydrophobicContact CD2-CG2 4.5Å
674S48Very low55.9Low74 Ų7480.5 Ų80.552%0.51741%0.414SS..  trans-66.2148.4178.267.90000110.4P672 K676 R677P672-S674 PolarHBondContact O-N 3.34Å; S674-K676 PolarHBondContact O-N 3.25Å; S674-R677 PolarHBondContact O-N 3.19Å
675K51.9Low54.8Low171 Ų17181.3 Ų81.374%0.74342%0.419SS*.THydrogen-bonded Turntrans-52.6-15.6-178-65.5-167173.7-156.10115.8E487E487-K675 IonicContact OE1-NZ 3.58Å; E487-K675 PolarHBondContact OE1-NZ 2.97Å
676K50.1Low54.2Low204 Ų20480.7 Ų80.789%0.88742%0.417SS*.THydrogen-bonded Turntrans-102.66.4-172.6-70.1-171.8177.4-178.20115.2S674S674-K676 PolarHBondContact O-N 3.25Å
677R55.7Low54.2Low82 Ų8281.6 Ų81.631%0.30942%0.423SS..  trans-84.1129.7179.9-76.2-173.7172.3-171.3-1.1111.7S674 N681 I682S674-R677 PolarHBondContact O-N 3.19Å; R677-N681 HydrophobicContact CB-CB 4.25Å; R677-I682 HydrophobicContact CB-CG1 4.3Å
678T54.6Low55.2Low88 Ų8878.6 Ų78.654%0.5440%0.402SS..  trans-64.2154.7172.155.40000111.9A680 N681 I682T678-A680 PolarHBondContact O-N 3.1Å; T678-A680 VanDerWaalsContact O-N 3.16Å; T678-N681 WeakPolarHBondContact O-CA 3.39Å; T678-N681 WeakPolarHBondContact O-CB 3.27Å; T678-N681 PolarHBondContact O-N 2.93Å; T678-N681 PolarHBondContact OG1-ND2 3.32Å; T678-I682 PolarHBondContact O-N 3.43Å
679H53.3Low56.8Low49 Ų4975.9 Ų75.923%0.22739%0.387CS..Hα-helixtrans-50.3-41.3179.7-175.769.3000113.4H489 N681 I682 L683H489-H679 HydrophobicContact CB-CB 4.5Å; H489-H679 AromaticContact CG-ND1 3.45Å; H489-H679 AromaticContact ND1-CE1 3.85Å; H489-H679 AromaticContact ND1-CG 3.9Å; H489-H679 AromaticContact ND1-ND1 3.34Å; H489-H679 PolarHBondContact ND1-ND1 2.81Å; H679-N681 VanDerWaalsContact C-N 3.28Å; H679-N681 PolarHBondContact O-N 2.89Å; H679-I682 PolarHBondContact O-N 3.38Å; H679-L683 VanDerWaalsContact NE2-CD1 3.33Å; H679-L683 WeakPolarHBondContact NE2-CD1 3.43Å; H679-L683 PolarHBondContact O-N 2.92Å
680A55.1Low58.6Low52 Ų5273.9 Ų73.943%0.4338%0.379SS..Hα-helixtrans-61.4-34.5176.400000112.9T678 K684T678-A680 PolarHBondContact O-N 3.1Å; T678-A680 VanDerWaalsContact O-N 3.16Å; A680-K684 WeakPolarHBondContact O-CB 3.4Å; A680-K684 WeakPolarHBondContact O-CD 3.43Å; A680-K684 WeakPolarHBondContact O-CG 3.35Å; A680-K684 PolarHBondContact O-N 3.21Å
681N58.5Low60.6Low72 Ų7267.3 Ų67.339%0.38535%0.348SS..Hα-helixtrans-75.1-35.7177.6-71.5-19.4000111.9R677 T678 H679 K684 S685R677-N681 HydrophobicContact CB-CB 4.25Å; T678-N681 WeakPolarHBondContact O-CA 3.39Å; T678-N681 WeakPolarHBondContact O-CB 3.27Å; T678-N681 PolarHBondContact O-N 2.93Å; T678-N681 PolarHBondContact OG1-ND2 3.32Å; H679-N681 VanDerWaalsContact C-N 3.28Å; H679-N681 PolarHBondContact O-N 2.89Å; N681-K684 PolarHBondContact O-N 2.96Å; N681-S685 WeakPolarHBondContact O-CB 3.42Å; N681-S685 PolarHBondContact O-N 3.42Å; N681-S685 PolarHBondContact O-OG 3.16Å; N681-S685 VanDerWaalsContact O-OG 3.09Å
682I60.1Low62.5Low13 Ų1360.7 Ų60.77%0.06732%0.319CS..Hα-helixtrans-63.6-50.6175-61.2174.1000109.9L673 R677 T678 H679 K684 S685 A686L673-I682 HydrophobicContact CD1-CG2 3.91Å; L673-I682 HydrophobicContact CD2-CG1 4.22Å; L673-I682 HydrophobicContact CD2-CG2 4.5Å; R677-I682 HydrophobicContact CB-CG1 4.3Å; T678-I682 PolarHBondContact O-N 3.43Å; H679-I682 PolarHBondContact O-N 3.38Å; I682-K684 PolarHBondContact O-N 3.42Å; I682-S685 WeakPolarHBondContact CA-OG 3.45Å; I682-S685 PolarHBondContact O-N 3.39Å; I682-S685 PolarHBondContact O-OG 3.45Å; I682-A686 VanDerWaalsContact O-CB 3.28Å; I682-A686 WeakPolarHBondContact O-CB 2.96Å; I682-A686 PolarHBondContact O-N 3.47Å
683L60.1Low64.6Low68 Ų6856.1 Ų56.136%0.35629%0.29SS..Hα-helixtrans-63.8-40.1176.8-74.6175.3000112.7F492 H679 A686 A687F492-L683 HydrophobicContact CD2-CD2 4.03Å; F492-L683 HydrophobicContact CE2-CD2 4.49Å; H679-L683 VanDerWaalsContact NE2-CD1 3.33Å; H679-L683 WeakPolarHBondContact NE2-CD1 3.43Å; H679-L683 PolarHBondContact O-N 2.92Å; L683-A686 PolarHBondContact O-N 2.96Å; L683-A686 VanDerWaalsContact O-N 3.1Å; L683-A687 WeakPolarHBondContact O-CB 3.34Å; L683-A687 PolarHBondContact O-N 3.23Å
684K61.2Low66.3Low155 Ų15553 Ų5367%0.67427%0.273SS*.Hα-helixtrans-63.3-41.1174.1-80.3173.2-176.6177.90112.1A680 N681 I682 A686A680-K684 WeakPolarHBondContact O-CB 3.4Å; A680-K684 WeakPolarHBondContact O-CD 3.43Å; A680-K684 WeakPolarHBondContact O-CG 3.35Å; A680-K684 PolarHBondContact O-N 3.21Å; N681-K684 PolarHBondContact O-N 2.96Å; I682-K684 PolarHBondContact O-N 3.42Å; K684-A686 PolarHBondContact O-N 3.11Å
685S61.5Low67.6Low18 Ų1850.2 Ų50.213%0.12625%0.253CS..Hα-helixtrans-65.9-32.6172.859.70000111F669 N681 I682 A687F669-S685 WeakPolarHBondContact CD2-O 3.25Å; F669-S685 WeakPolarHBondContact CE2-O 3.38Å; N681-S685 WeakPolarHBondContact O-CB 3.42Å; N681-S685 PolarHBondContact O-N 3.42Å; N681-S685 PolarHBondContact O-OG 3.16Å; N681-S685 VanDerWaalsContact O-OG 3.09Å; I682-S685 WeakPolarHBondContact CA-OG 3.45Å; I682-S685 PolarHBondContact O-N 3.39Å; I682-S685 PolarHBondContact O-OG 3.45Å; S685-A687 VanDerWaalsContact C-N 3.34Å
686A65.5Low68.2Low2 Ų243.7 Ų43.72%0.01723%0.228CC..Hα-helixtrans-75.7-22.5-176.800000114.5L96 S97 A100 F669 I682 L683 K684 C688L96-A686 HydrophobicContact CD1-CB 3.66Å; S97-A686 PolarHBondContact N-O 2.76Å; A100-A686 HydrophobicContact CB-CB 4.14Å; F669-A686 HydrophobicContact CE1-CB 4.39Å; F669-A686 HydrophobicContact CE2-CB 4.37Å; F669-A686 WeakPolarHBondContact CE2-O 3.26Å; F669-A686 HydrophobicContact CZ-CB 3.81Å; F669-A686 VanDerWaalsContact CZ-O 3.27Å; F669-A686 WeakPolarHBondContact CZ-O 3.49Å; I682-A686 VanDerWaalsContact O-CB 3.28Å; I682-A686 WeakPolarHBondContact O-CB 2.96Å; I682-A686 PolarHBondContact O-N 3.47Å; L683-A686 PolarHBondContact O-N 2.96Å; L683-A686 VanDerWaalsContact O-N 3.1Å; K684-A686 PolarHBondContact O-N 3.11Å; A686-C688 PolarHBondContact O-N 2.84Å
687A69.5Low68.5Low39 Ų3939.1 Ų39.132%0.32221%0.214SC..EExtended strand (participates in β ladder)trans-80.3117.8-176.800000111.1L683 S685L683-A687 WeakPolarHBondContact O-CB 3.34Å; L683-A687 PolarHBondContact O-N 3.23Å; S685-A687 VanDerWaalsContact C-N 3.34Å
688C81.4Confident68.3Low1 Ų136.8 Ų36.81%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-92.9163.6167.7-62.50000110.4K94 V95 I663 A686K94-C688 CarbonylContact C-O 3.57Å; K94-C688 WeakPolarHBondContact CA-O 3.3Å; V95-C688 PolarHBondContact N-O 3.32Å; V95-C688 PolarHBondContact O-N 3.18Å; I663-C688 HydrophobicContact CG2-CB 3.95Å; A686-C688 PolarHBondContact O-N 2.84Å
689N84.1Confident68.1Low11 Ų1134.4 Ų34.46%0.05919%0.194CC..EExtended strand (participates in β ladder)trans-104.3129.3172.3-56.6-68.3000109.6T74 P92 I663 C664 Y691T74-N689 VanDerWaalsContact CA-ND2 3.33Å; T74-N689 WeakPolarHBondContact CA-ND2 3.13Å; T74-N689 WeakPolarHBondContact CG2-ND2 3.45Å; T74-N689 WeakPolarHBondContact CG2-OD1 3.41Å; P92-N689 HydrophobicContact CB-CB 4.15Å; I663-N689 CarbonylContact C-O 3.47Å; I663-N689 WeakPolarHBondContact CA-O 3.35Å; C664-N689 PolarHBondContact N-O 3.46Å; C664-N689 PolarHBondContact O-N 3.49Å; N689-Y691 HydrophobicContact CB-CD2 4.41Å; N689-Y691 HydrophobicContact CB-CE2 3.64Å
690F85.8Confident67.9Low1 Ų134.8 Ų34.80%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-109.8121.6175178.6-121.3000110.2L28 I33 W52 L66 L93 V95 V662 I663 I692L28-F690 HydrophobicContact CD1-CD1 3.75Å; L28-F690 HydrophobicContact CD1-CE1 4.1Å; I33-F690 HydrophobicContact CD1-CD1 4.47Å; I33-F690 HydrophobicContact CD1-CD2 4.27Å; I33-F690 HydrophobicContact CD1-CE1 4.46Å; I33-F690 HydrophobicContact CD1-CE2 4.25Å; I33-F690 HydrophobicContact CD1-CG 4.33Å; I33-F690 HydrophobicContact CD1-CZ 4.33Å; I33-F690 HydrophobicContact CG1-CE1 4.21Å; I33-F690 HydrophobicContact CG1-CZ 4.22Å; W52-F690 HydrophobicContact CH2-CE1 4.06Å; L66-F690 HydrophobicContact CD2-CE2 4.46Å; L93-F690 HydrophobicContact CD1-CD1 4.46Å; L93-F690 PolarHBondContact N-O 3.44Å; L93-F690 PolarHBondContact O-N 3.13Å; V95-F690 HydrophobicContact CB-CB 4.3Å; V95-F690 HydrophobicContact CG2-CB 3.36Å; V95-F690 HydrophobicContact CG2-CD1 4.34Å; V95-F690 HydrophobicContact CG2-CG 4.04Å; V662-F690 WeakPolarHBondContact O-CA 3.38Å; I663-F690 HydrophobicContact CD1-CD2 4.15Å; I663-F690 HydrophobicContact CD1-CE2 4.43Å; I663-F690 HydrophobicContact CG1-CB 4.46Å; I663-F690 HydrophobicContact CG1-CD2 3.46Å; I663-F690 VanDerWaalsContact CG1-CD2 3.46Å; I663-F690 HydrophobicContact CG1-CE2 4.1Å; I663-F690 HydrophobicContact CG1-CG 4.38Å; F690-I692 HydrophobicContact CE1-CB 3.88Å; F690-I692 HydrophobicContact CE1-CD1 4.11Å; F690-I692 HydrophobicContact CE1-CG2 4.07Å; F690-I692 HydrophobicContact CZ-CB 3.9Å; F690-I692 HydrophobicContact CZ-CD1 3.96Å; F690-I692 HydrophobicContact CZ-CG1 4.25Å
691Y85.2Confident67.6Low5 Ų535.2 Ų35.22%0.0219%0.19CC..EExtended strand (participates in β ladder)trans-109136.1174.9-61.8-86.5000107.6V75 F89 P92 G661 V662 C664 N689V75-Y691 WeakPolarHBondContact CB-OH 3.2Å; V75-Y691 WeakPolarHBondContact CG2-OH 3.24Å; F89-Y691 HydrophobicContact CB-CD1 3.93Å; F89-Y691 HydrophobicContact CB-CG 4.31Å; F89-Y691 HydrophobicContact CG-CD1 4.5Å; F89-Y691 HydrophobicContact CG-CG 4.49Å; P92-Y691 HydrophobicContact CB-CD1 4.23Å; P92-Y691 HydrophobicContact CB-CE1 3.55Å; P92-Y691 HydrophobicContact CB-CE2 4.4Å; P92-Y691 HydrophobicContact CG-CE1 4.13Å; G661-Y691 CarbonylContact C-O 3.52Å; G661-Y691 VanDerWaalsContact CA-O 3.31Å; G661-Y691 WeakPolarHBondContact CA-O 3.03Å; V662-Y691 PolarHBondContact N-O 3.14Å; V662-Y691 PolarHBondContact O-N 3.41Å; C664-Y691 HydrophobicContact CB-CE2 4.17Å; N689-Y691 HydrophobicContact CB-CD2 4.41Å; N689-Y691 HydrophobicContact CB-CE2 3.64Å
692I86Confident66.9Low3 Ų334.7 Ų34.72%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-142.3132.3-178.8-173.2177.9000110.5L19 I21 L36 W52 L659 I660 F690L19-I692 HydrophobicContact CD2-CD1 4.17Å; L19-I692 HydrophobicContact CD2-CG1 4.25Å; I21-I692 HydrophobicContact CD1-CG2 3.62Å; L36-I692 HydrophobicContact CD2-CD1 3.23Å; L36-I692 HydrophobicContact CG-CD1 4.47Å; W52-I692 HydrophobicContact CH2-CD1 4.11Å; W52-I692 HydrophobicContact CH2-CG2 4.5Å; W52-I692 HydrophobicContact CZ3-CG2 4.32Å; L659-I692 HydrophobicContact CD1-CD1 4.06Å; L659-I692 HydrophobicContact CD1-CG1 3.98Å; I660-I692 WeakPolarHBondContact O-CA 3.39Å; F690-I692 HydrophobicContact CE1-CB 3.88Å; F690-I692 HydrophobicContact CE1-CD1 4.11Å; F690-I692 HydrophobicContact CE1-CG2 4.07Å; F690-I692 HydrophobicContact CZ-CB 3.9Å; F690-I692 HydrophobicContact CZ-CD1 3.96Å; F690-I692 HydrophobicContact CZ-CG1 4.25Å
693T83.2Confident65.9Low4 Ų438.6 Ų38.63%0.02522%0.215CC..EExtended strand (participates in β ladder)trans-147.3161177.8-164.20000111.5M88 F89 Y651 I660M88-T693 WeakPolarHBondContact O-CB 3.44Å; M88-T693 PolarHBondContact O-OG1 2.96Å; F89-T693 HydrophobicContact CD1-CG2 3.43Å; F89-T693 VanDerWaalsContact CD1-CG2 3.43Å; F89-T693 HydrophobicContact CE1-CG2 3.48Å; F89-T693 VanDerWaalsContact CE1-CG2 3.48Å; F89-T693 HydrophobicContact CG-CG2 4.41Å; Y651-T693 HydrophobicContact CD2-CG2 3.97Å; Y651-T693 HydrophobicContact CE2-CG2 3.92Å; I660-T693 HydrophobicContact CB-CG2 4.18Å; I660-T693 PolarHBondContact N-O 2.77Å; I660-T693 PolarHBondContact O-N 2.91Å
694L82.3Confident64.8Low0 Ų039.9 Ų39.90%023%0.226CC..EExtended strand (participates in β ladder)trans-106.5134.2168.4-169.174.1000108.4I18 I61 Y651 N657 L659 S696 N697 V699I18-L694 HydrophobicContact CB-CD2 3.53Å; I18-L694 HydrophobicContact CD1-CD2 3.82Å; I18-L694 HydrophobicContact CG1-CD2 4.23Å; I18-L694 HydrophobicContact CG2-CD2 3.73Å; I61-L694 HydrophobicContact CG1-CD1 3.99Å; Y651-L694 PolarHBondContact OH-O 2.91Å; N657-L694 HydrophobicContact CB-CD1 4.47Å; L659-L694 HydrophobicContact CB-CD1 4.27Å; L659-L694 HydrophobicContact CD1-CD1 4.44Å; L694-S696 WeakPolarHBondContact CD2-OG 3.37Å; L694-S696 PolarHBondContact O-N 3.07Å; L694-N697 PolarHBondContact O-N 2.74Å; L694-V699 HydrophobicContact CB-CG2 4.45Å
695N75.4Confident63.4Low17 Ų1737.2 Ų37.29%0.09123%0.227CC..THydrogen-bonded Turntrans-70.872174.9-17022.3000112Y651 L654 K655 E656 N657 S658 I660Y651-N695 HydrophobicContact CD2-CB 4.39Å; Y651-N695 WeakPolarHBondContact CE1-OD1 3.38Å; Y651-N695 HydrophobicContact CE2-CB 4.13Å; Y651-N695 VanDerWaalsContact CZ-OD1 3.3Å; Y651-N695 PolarHBondContact O-ND2 3.42Å; Y651-N695 PolarHBondContact O-OD1 3.3Å; L654-N695 VanDerWaalsContact C-ND2 3.32Å; L654-N695 PolarHBondContact O-ND2 2.94Å; K655-N695 PolarHBondContact O-ND2 3.23Å; K655-N695 VanDerWaalsContact O-ND2 3.15Å; E656-N695 CarbonylContact C-O 3.54Å; E656-N695 VanDerWaalsContact CA-O 3.3Å; E656-N695 WeakPolarHBondContact CA-O 3.33Å; N657-N695 PolarHBondContact N-O 3.24Å; S658-N695 PolarHBondContact O-N 2.94Å; I660-N695 HydrophobicContact CD1-CB 4.32Å
696S64.8Low62Low33 Ų3343.7 Ų43.723%0.23126%0.26CS..THydrogen-bonded Turntrans-173.712.8170.350.30000111.3Y651 N657 L694 V698Y651-S696 PolarHBondContact OH-N 3.09Å; N657-S696 PolarHBondContact OD1-OG 2.82Å; L694-S696 WeakPolarHBondContact CD2-OG 3.37Å; L694-S696 PolarHBondContact O-N 3.07Å; S696-V698 VanDerWaalsContact O-CG2 3.3Å; S696-V698 WeakPolarHBondContact O-CG2 3.37Å; S696-V698 PolarHBondContact O-N 3.2Å
697N55Low60.2Low109 Ų10949.8 Ų49.858%0.58329%0.292SS*.SBendtrans54.99.5175.8-84-22.1000117.4Y651 L694 V699Y651-N697 PolarHBondContact OH-N 3.41Å; Y651-N697 PolarHBondContact OH-OD1 2.86Å; L694-N697 PolarHBondContact O-N 2.74Å; N697-V699 VanDerWaalsContact C-N 3.28Å; N697-V699 PolarHBondContact O-N 3.27Å; N697-V699 VanDerWaalsContact O-N 3.15Å
698V51.1Low58.2Low33 Ų3351.2 Ų51.220%0.231%0.311CS..  trans-92.560.6176.3-147.30000110.8P17 S696P17-V698 VanDerWaalsContact CA-CG1 3.4Å; P17-V698 HydrophobicContact CB-CB 4.26Å; P17-V698 HydrophobicContact CB-CG1 3.66Å; P17-V698 VanDerWaalsContact CB-O 3.3Å; P17-V698 WeakPolarHBondContact CB-O 3.44Å; P17-V698 HydrophobicContact CG-CG1 4.49Å; S696-V698 VanDerWaalsContact O-CG2 3.3Å; S696-V698 WeakPolarHBondContact O-CG2 3.37Å; S696-V698 PolarHBondContact O-N 3.2Å
699V50.5Low55.5Low38 Ų3856 Ų5623%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-107.4110.7165-177.80000107.6L19 I21 L694 N697L19-V699 HydrophobicContact CD2-CG2 4.42Å; I21-V699 HydrophobicContact CD1-CG1 3.78Å; I21-V699 HydrophobicContact CG1-CG1 4Å; L694-V699 HydrophobicContact CB-CG2 4.45Å; N697-V699 VanDerWaalsContact C-N 3.28Å; N697-V699 PolarHBondContact O-N 3.27Å; N697-V699 VanDerWaalsContact O-N 3.15Å
700I49.2Very low52.8Low56 Ų5667 Ų6729%0.28740%0.401SS..EExtended strand (participates in β ladder)trans-95.3110.8169.7-56.3179.2000106.1P17 V20 I21 T702P17-I700 HydrophobicContact CG-CD1 4Å; P17-I700 HydrophobicContact CG-CG1 4.37Å; V20-I700 WeakPolarHBondContact CG1-O 2.96Å; I21-I700 PolarHBondContact N-O 3.35Å; I700-T702 HydrophobicContact CG2-CG2 4Å; I700-T702 PolarHBondContact O-N 2.84Å
701Q48.7Very low51.1Low62 Ų6270.3 Ų70.329%0.2942%0.42SS..EExtended strand (participates in β ladder)trans-78.3110.9154.9-171.5173-3.300105.7D23 P703D23-Q701 PolarHBondContact OD1-NE2 2.67Å; Q701-P703 VanDerWaalsContact O-CD 3.31Å; Q701-P703 WeakPolarHBondContact O-CD 3.38Å
702T44.2Very low49.3Very low61 Ų6173.7 Ų73.737%0.37444%0.441SS..EExtended strand (participates in β ladder)trans-73.5118.8176.151.10000107.8V20 D23 I700V20-T702 HydrophobicContact CG1-CG2 4.48Å; D23-T702 WeakPolarHBondContact CB-O 3.2Å; I700-T702 HydrophobicContact CG2-CG2 4Å; I700-T702 PolarHBondContact O-N 2.84Å
703P38.7Very low47.3Very low94 Ų9477.6 Ų77.661%0.6147%0.465SS*.  trans-58.6142.5169.1-14.827.6000108.7Q701 S705Q701-P703 VanDerWaalsContact O-CD 3.31Å; Q701-P703 WeakPolarHBondContact O-CD 3.38Å; P703-S705 PolarHBondContact O-N 3.46Å
704T36.7Very low45.2Very low96 Ų9681.9 Ų81.959%0.58949%0.491SS*.  trans-50.4108.4164.949.40000109D23 D706D23-T704 HydrophobicContact CB-CG2 3.88Å; D23-T704 PolarHBondContact OD2-N 3.05Å; T704-D706 VanDerWaalsContact C-N 3.34Å; T704-D706 PolarHBondContact O-N 3.35Å
705S32.4Very low42.9Very low98 Ų9887.1 Ų87.169%0.68552%0.522SS*.  trans-67.6101.8162.554.80000106.5P703 N707P703-S705 PolarHBondContact O-N 3.46Å; S705-N707 PolarHBondContact O-N 3.11Å
706D31.7Very low40.7Very low154 Ų15491.7 Ų91.782%0.82455%0.55SS**  trans-62.177.4153.6-88.9-22.4000107.4T704T704-D706 VanDerWaalsContact C-N 3.34Å; T704-D706 PolarHBondContact O-N 3.35Å
707N29.4Very low39Very low130 Ų13095.9 Ų95.970%0.69557%0.573SS**  trans-127.282.7166.9-85.21.8000107.3S705S705-N707 PolarHBondContact O-N 3.11Å
708G27.1Very low37.7Very low69 Ų6994.9 Ų94.971%0.71157%0.573SS**  trans-67.3142.813500000108.2
709S23.4Very low36.6Very low101 Ų101100.1 Ų100.171%0.70660%0.604SS**  trans73.5121.3-165.676.60000112.7
710I27.8Very low35.4Very low242 Ų242105.7 Ų105.7100%1.24164%0.638SS**  cis-133.8024.5-75.7160.3000108.8

Retrieved 710 of 710 residues in 575.1 ms (Link to these results)

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