A0A077Z8N0_TRITR Loading...

26S protease regulatory subunit 6A

AlphaFold DB , UniProt , Accession A0A077Z8N0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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
1M36.9Very low56.4Low228 Ų228138 Ų138100%1.12371%0.706SS**  087.70-84.1-174.9171.800109.6R3M1-R3 PolarHBondContact O-N 3.27Å
2V38.7Very low58.2Low137 Ų137137.7 Ų137.783%0.8370%0.699SS**  trans-87.592.4163.1-178.90000105.3L4V2-L4 PolarHBondContact O-N 3.28Å
3R47.1Very low59.7Low226 Ų226131.7 Ų131.785%0.85368%0.677SS**  trans-65.1103.5170.8-88.2-176.4175.6176.3-1106.8M1 L5M1-R3 PolarHBondContact O-N 3.27Å; R3-L5 PolarHBondContact O-N 3.02Å
4L53.8Low61.2Low162 Ų162126.4 Ų126.485%0.84866%0.657SS**  trans-56.6109.2169.6-74159.5000107.8V2V2-L4 PolarHBondContact O-N 3.28Å
5L57Low62.6Low114 Ų114127.4 Ų127.460%0.59766%0.658SS**  trans-57.5140.9170.4-80.6157.5000108.7R3 A7R3-L5 PolarHBondContact O-N 3.02Å; L5-A7 PolarHBondContact O-N 2.98Å
6P56Low63.9Low74 Ų74127.3 Ų127.348%0.48165%0.651SS.*  trans-57133.9-179.822.9-32.2000110.3K8 Q9P6-K8 PolarHBondContact O-N 3.23Å; P6-Q9 HydrophobicContact CG-CB 4.41Å; P6-Q9 HydrophobicContact CG-CG 4.03Å; P6-Q9 PolarHBondContact O-N 3.22Å
7A59.6Low64.9Low90 Ų90124.1 Ų124.174%0.74464%0.642SS**THydrogen-bonded Turntrans-52.9-22.3-17200000114.8L5 P11L5-A7 PolarHBondContact O-N 2.98Å; A7-P11 WeakPolarHBondContact O-CD 3.49Å
8K60.8Low66.1Low185 Ų185122.5 Ų122.580%0.80463%0.634SS**THydrogen-bonded Turntrans-74.3-25.2175.8-67.5-172.9177.3-177.40114.5P6 P11P6-K8 PolarHBondContact O-N 3.23Å; K8-P11 WeakPolarHBondContact O-CD 3.36Å
9Q66.1Low67.1Low87 Ų87120.8 Ų120.841%0.40762%0.622SS.*THydrogen-bonded Turntrans-84.1-20.7177.7-72.5177-10.800112.6P6 Q12 C13P6-Q9 HydrophobicContact CG-CB 4.41Å; P6-Q9 HydrophobicContact CG-CG 4.03Å; P6-Q9 PolarHBondContact O-N 3.22Å; Q9-Q12 PolarHBondContact O-N 2.68Å; Q9-C13 PolarHBondContact O-N 2.9Å; Q9-C13 PolarHBondContact O-SG 3.37Å
10F69Low68Low150 Ų150117.4 Ų117.466%0.65861%0.605SS**Hα-helixtrans-56-46.6179.8-162.8-95.5000114.4Q12 C13 S14F10-Q12 PolarHBondContact O-N 2.89Å; F10-C13 PolarHBondContact O-N 3.39Å; F10-S14 WeakPolarHBondContact O-CB 3.41Å; F10-S14 PolarHBondContact O-N 2.97Å; F10-S14 PolarHBondContact O-OG 3.21Å
11P74.8Confident68.8Low65 Ų65118.7 Ų118.742%0.42261%0.606SS.*Hα-helixtrans-67.4-32.9177.424.8-34.2000113.6A7 K8 S14 Q15A7-P11 WeakPolarHBondContact O-CD 3.49Å; K8-P11 WeakPolarHBondContact O-CD 3.36Å; P11-S14 WeakPolarHBondContact CA-OG 3.32Å; P11-S14 PolarHBondContact O-OG 2.93Å; P11-Q15 WeakPolarHBondContact O-CB 3.45Å; P11-Q15 WeakPolarHBondContact O-CG 3.49Å; P11-Q15 PolarHBondContact O-N 3.49Å
12Q78Confident71Confident134 Ų134116 Ų11663%0.62658%0.584SS**Hα-helixtrans-69.5-44.8176.2-69.8179.6-13.900111.1Q9 F10 S14 Q15 F16Q9-Q12 PolarHBondContact O-N 2.68Å; F10-Q12 PolarHBondContact O-N 2.89Å; Q12-S14 VanDerWaalsContact C-N 3.33Å; Q12-S14 PolarHBondContact O-N 3.23Å; Q12-Q15 PolarHBondContact O-N 3.02Å; Q12-F16 WeakPolarHBondContact O-CB 3.4Å; Q12-F16 PolarHBondContact O-N 3.01Å
13C78.8Confident73Confident60 Ų60116 Ų11641%0.40557%0.569SS.*Hα-helixtrans-62.7-39.7174.7-710000111.8Q9 F10 F16 C17Q9-C13 PolarHBondContact O-N 2.9Å; Q9-C13 PolarHBondContact O-SG 3.37Å; F10-C13 PolarHBondContact O-N 3.39Å; C13-F16 PolarHBondContact O-N 2.58Å; C13-C17 WeakPolarHBondContact O-CB 3.4Å; C13-C17 PolarHBondContact O-N 3.05Å; C13-C17 PolarHBondContact O-SG 3.27Å
14S80.5Confident74.6Confident58 Ų58108.2 Ų108.241%0.40654%0.544SS..Hα-helixtrans-67.4-40.817973.40000112F10 P11 Q12 C17 L18F10-S14 WeakPolarHBondContact O-CB 3.41Å; F10-S14 PolarHBondContact O-N 2.97Å; F10-S14 PolarHBondContact O-OG 3.21Å; P11-S14 WeakPolarHBondContact CA-OG 3.32Å; P11-S14 PolarHBondContact O-OG 2.93Å; Q12-S14 VanDerWaalsContact C-N 3.33Å; Q12-S14 PolarHBondContact O-N 3.23Å; S14-C17 PolarHBondContact O-N 3.47Å; S14-L18 WeakPolarHBondContact O-CB 3.42Å; S14-L18 PolarHBondContact O-N 3.17Å
15Q81.3Confident75.8Confident141 Ų141108.4 Ų108.466%0.65954%0.538SS*.Hα-helixtrans-61.6-45.9172.8-77.2-179-12.500111.7P11 Q12 C17 L18 E19P11-Q15 WeakPolarHBondContact O-CB 3.45Å; P11-Q15 WeakPolarHBondContact O-CG 3.49Å; P11-Q15 PolarHBondContact O-N 3.49Å; Q12-Q15 PolarHBondContact O-N 3.02Å; Q15-C17 PolarHBondContact O-N 3.09Å; Q15-L18 PolarHBondContact O-N 3.47Å; Q15-L18 VanDerWaalsContact O-N 3.14Å; Q15-E19 PolarHBondContact O-N 2.97Å
16F83.4Confident76.7Confident126 Ų126109 Ų10955%0.55354%0.541SS*.Hα-helixtrans-62.6-42.5177.6-172.3-106.9000112.3Q12 C13 L18 E19 N20Q12-F16 WeakPolarHBondContact O-CB 3.4Å; Q12-F16 PolarHBondContact O-N 3.01Å; C13-F16 PolarHBondContact O-N 2.58Å; F16-L18 VanDerWaalsContact C-N 3.3Å; F16-L18 PolarHBondContact O-N 3.19Å; F16-E19 PolarHBondContact O-N 3.01Å; F16-N20 VanDerWaalsContact CD1-ND2 3.31Å; F16-N20 WeakPolarHBondContact CD1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.32Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.38Å; F16-N20 WeakPolarHBondContact O-CB 3.43Å; F16-N20 PolarHBondContact O-N 3.21Å; F16-N20 PolarHBondContact O-ND2 3.32Å
17C82Confident77.5Confident73 Ų73109.5 Ų109.549%0.49354%0.536SS..Hα-helixtrans-60.5-40173.1-76.80000112C13 S14 Q15 K21C13-C17 WeakPolarHBondContact O-CB 3.4Å; C13-C17 PolarHBondContact O-N 3.05Å; C13-C17 PolarHBondContact O-SG 3.27Å; S14-C17 PolarHBondContact O-N 3.47Å; Q15-C17 PolarHBondContact O-N 3.09Å; C17-K21 WeakPolarHBondContact O-CB 3.46Å; C17-K21 WeakPolarHBondContact O-CG 3.48Å; C17-K21 PolarHBondContact O-N 3.08Å
18L85.1Confident78.2Confident95 Ų95108.6 Ų108.650%0.49752%0.516SS..Hα-helixtrans-71.2-38.3-179.7-158.2136.5000111.5S14 Q15 F16 K21 R22S14-L18 WeakPolarHBondContact O-CB 3.42Å; S14-L18 PolarHBondContact O-N 3.17Å; Q15-L18 PolarHBondContact O-N 3.47Å; Q15-L18 VanDerWaalsContact O-N 3.14Å; F16-L18 VanDerWaalsContact C-N 3.3Å; F16-L18 PolarHBondContact O-N 3.19Å; L18-K21 PolarHBondContact O-N 3.23Å; L18-R22 WeakPolarHBondContact O-CG 3.44Å; L18-R22 PolarHBondContact O-N 2.93Å
19E86.1Confident78.9Confident90 Ų90107.2 Ų107.242%0.42151%0.51SS..Hα-helixtrans-63.9-46.4172.5-166.1-176.2162.700111.5Q15 F16 K21 R22 R23Q15-E19 PolarHBondContact O-N 2.97Å; F16-E19 PolarHBondContact O-N 3.01Å; E19-K21 PolarHBondContact O-N 3.11Å; E19-R22 WeakPolarHBondContact O-CB 3.29Å; E19-R22 PolarHBondContact O-N 2.92Å; E19-R22 VanDerWaalsContact O-N 3.11Å; E19-R23 WeakPolarHBondContact O-CG 3.31Å; E19-R23 PolarHBondContact O-N 3.43Å; E19-R23 IonicContact OE1-CZ 3.92Å; E19-R23 IonicContact OE1-NE 2.6Å; E19-R23 PolarHBondContact OE1-NE 3.49Å; E19-R23 IonicContact OE1-NH2 3.34Å; E19-R23 PolarHBondContact OE1-NH2 3.38Å
20N84.4Confident79.5Confident53 Ų53109.4 Ų109.428%0.28352%0.524SS..Hα-helixtrans-63.8-39.8176.9-74.3-26.6000112.1F16 R22 R23 L24F16-N20 VanDerWaalsContact CD1-ND2 3.31Å; F16-N20 WeakPolarHBondContact CD1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.32Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.38Å; F16-N20 WeakPolarHBondContact O-CB 3.43Å; F16-N20 PolarHBondContact O-N 3.21Å; F16-N20 PolarHBondContact O-ND2 3.32Å; N20-R22 VanDerWaalsContact C-N 3.31Å; N20-R22 PolarHBondContact O-N 3.46Å; N20-R23 PolarHBondContact O-N 3.21Å; N20-L24 VanDerWaalsContact O-CG 3.31Å; N20-L24 WeakPolarHBondContact O-CG 3.49Å; N20-L24 PolarHBondContact O-N 3.45Å
21K84.9Confident80.1Confident144 Ų144106.6 Ų106.663%0.62652%0.521SS*.Hα-helixtrans-61.1-38.4172.4-79.3-178.1179.7-176.10112.1C17 L18 E19 L24 K25C17-K21 WeakPolarHBondContact O-CB 3.46Å; C17-K21 WeakPolarHBondContact O-CG 3.48Å; C17-K21 PolarHBondContact O-N 3.08Å; L18-K21 PolarHBondContact O-N 3.23Å; E19-K21 PolarHBondContact O-N 3.11Å; K21-L24 PolarHBondContact O-N 3.07Å; K21-K25 WeakPolarHBondContact O-CG 3.35Å; K21-K25 PolarHBondContact O-N 2.71Å
22R83.2Confident80.6Confident171 Ų171105 Ų10565%0.64551%0.509SS*.Hα-helixtrans-64.8-42.3174.1-74.3175.9179.1179.50.9111.6L18 E19 N20 K25 L26L18-R22 WeakPolarHBondContact O-CG 3.44Å; L18-R22 PolarHBondContact O-N 2.93Å; E19-R22 WeakPolarHBondContact O-CB 3.29Å; E19-R22 PolarHBondContact O-N 2.92Å; E19-R22 VanDerWaalsContact O-N 3.11Å; N20-R22 VanDerWaalsContact C-N 3.31Å; N20-R22 PolarHBondContact O-N 3.46Å; R22-K25 PolarHBondContact O-N 3.2Å; R22-L26 PolarHBondContact O-N 2.94Å
23R80.7Confident81.1Confident138 Ų13899.8 Ų99.852%0.52149%0.485SS..Hα-helixtrans-61.9-45.8174.9-68.6-179.4-177.3-163.52.4111.4E19 N20 K25 L26 F27E19-R23 WeakPolarHBondContact O-CG 3.31Å; E19-R23 PolarHBondContact O-N 3.43Å; E19-R23 IonicContact OE1-CZ 3.92Å; E19-R23 IonicContact OE1-NE 2.6Å; E19-R23 PolarHBondContact OE1-NE 3.49Å; E19-R23 IonicContact OE1-NH2 3.34Å; E19-R23 PolarHBondContact OE1-NH2 3.38Å; N20-R23 PolarHBondContact O-N 3.21Å; R23-K25 VanDerWaalsContact C-N 3.33Å; R23-K25 PolarHBondContact O-N 3.24Å; R23-L26 WeakPolarHBondContact O-CB 3.49Å; R23-L26 PolarHBondContact O-N 3.33Å; R23-L26 VanDerWaalsContact O-N 3.07Å; R23-F27 VanDerWaalsContact O-CD2 3.28Å; R23-F27 WeakPolarHBondContact O-CD2 3.45Å; R23-F27 PolarHBondContact O-N 3.45Å; R23-F27 VanDerWaalsContact O-N 3.15Å
24L80.5Confident81.5Confident63 Ų63100.1 Ų100.133%0.3349%0.486SS..Hα-helixtrans-59.3-41.7176.2-70.7171.4000112.3N20 K21 L26 F27 H28 F84N20-L24 VanDerWaalsContact O-CG 3.31Å; N20-L24 WeakPolarHBondContact O-CG 3.49Å; N20-L24 PolarHBondContact O-N 3.45Å; K21-L24 PolarHBondContact O-N 3.07Å; L24-L26 PolarHBondContact O-N 3.48Å; L24-F27 WeakPolarHBondContact O-CA 3.38Å; L24-F27 WeakPolarHBondContact O-CB 3.5Å; L24-F27 PolarHBondContact O-N 2.92Å; L24-H28 PolarHBondContact O-CD2 2.97Å; L24-H28 VanDerWaalsContact O-CD2 3.32Å; L24-H28 PolarHBondContact O-N 3.49Å; L24-F84 HydrophobicContact CD2-CD1 3.9Å; L24-F84 HydrophobicContact CD2-CE1 3.26Å; L24-F84 HydrophobicContact CD2-CE2 4.46Å; L24-F84 HydrophobicContact CD2-CZ 3.59Å
25K80.2Confident81.9Confident165 Ų16597.4 Ų97.472%0.71747%0.467SS*.Hα-helixtrans-60.3-33.9175.1-76.2-177.6177.6-169.30113.2K21 R22 R23K21-K25 WeakPolarHBondContact O-CG 3.35Å; K21-K25 PolarHBondContact O-N 2.71Å; R22-K25 PolarHBondContact O-N 3.2Å; R23-K25 VanDerWaalsContact C-N 3.33Å; R23-K25 PolarHBondContact O-N 3.24Å
26L76.1Confident82.3Confident128 Ų12894.4 Ų94.467%0.6745%0.454SS*.Hα-helixtrans-69.3-35.1174.1-68.8165.4000111.7R22 R23 L24 K29R22-L26 PolarHBondContact O-N 2.94Å; R23-L26 WeakPolarHBondContact O-CB 3.49Å; R23-L26 PolarHBondContact O-N 3.33Å; R23-L26 VanDerWaalsContact O-N 3.07Å; L24-L26 PolarHBondContact O-N 3.48Å; L26-K29 VanDerWaalsContact O-CB 3.26Å; L26-K29 WeakPolarHBondContact O-CB 3.21Å; L26-K29 PolarHBondContact O-N 3.36Å
27F72.4Confident82.6Confident83 Ų8388.4 Ų88.436%0.36443%0.427SS..Hα-helixtrans-70.5-33.7175.1-83.2-78.1000113.4R23 L24 K29 L106R23-F27 VanDerWaalsContact O-CD2 3.28Å; R23-F27 WeakPolarHBondContact O-CD2 3.45Å; R23-F27 PolarHBondContact O-N 3.45Å; R23-F27 VanDerWaalsContact O-N 3.15Å; L24-F27 WeakPolarHBondContact O-CA 3.38Å; L24-F27 WeakPolarHBondContact O-CB 3.5Å; L24-F27 PolarHBondContact O-N 2.92Å; F27-K29 PolarHBondContact O-N 3.43Å; F27-L106 HydrophobicContact CB-CD2 4.44Å; F27-L106 WeakPolarHBondContact O-CD1 3.23Å
28H74.4Confident82.9Confident71 Ų7188 Ų8833%0.32942%0.423SS..THydrogen-bonded Turntrans-76.33.9173.5-80.1-81.1000113.8L24 L30 E107L24-H28 PolarHBondContact O-CD2 2.97Å; L24-H28 VanDerWaalsContact O-CD2 3.32Å; L24-H28 PolarHBondContact O-N 3.49Å; H28-L30 PolarHBondContact O-N 2.98Å; H28-E107 IonicContact ND1-OE2 3.53Å
29K75.5Confident83.1Confident157 Ų15788.8 Ų88.868%0.68342%0.424SS*.PPolyproline II helixtrans-68.7122.5179.1-165.6176.8-178.4-1790109.8L26 F27L26-K29 VanDerWaalsContact O-CB 3.26Å; L26-K29 WeakPolarHBondContact O-CB 3.21Å; L26-K29 PolarHBondContact O-N 3.36Å; F27-K29 PolarHBondContact O-N 3.43Å
30L78.3Confident83.2Confident133 Ų13387 Ų8770%0.69642%0.417SS*.SBendtrans-54.8148.6174.7-62.8174.8000111.3H28 L32H28-L30 PolarHBondContact O-N 2.98Å; L30-L32 HydrophobicContact CD2-CD1 4.12Å; L30-L32 HydrophobicContact CD2-CG 3.99Å
31P82.4Confident83.2Confident90 Ų9086.5 Ų86.558%0.58442%0.415SS*.PPolyproline II helixcis-92.3140.611.434-33.7000114.9
32L84.6Confident83Confident33 Ų3384.5 Ų84.517%0.17342%0.415CS..EExtended strand (participates in β ladder)trans-89.6148.3169.8-62171.6000110.3L30 L106 E107L30-L32 HydrophobicContact CD2-CD1 4.12Å; L30-L32 HydrophobicContact CD2-CG 3.99Å; L32-L106 HydrophobicContact CD2-CB 4.35Å; L32-L106 HydrophobicContact CD2-CD1 3.26Å; L32-L106 HydrophobicContact CD2-CG 4.34Å; L32-E107 HydrophobicContact CD1-CG 4.08Å; L32-E107 WeakPolarHBondContact CD1-OE1 3.09Å
33V87.4Confident82.5Confident23 Ų2379.3 Ų79.314%0.13940%0.4CS..EExtended strand (participates in β ladder)trans-94.3125.1170.8176.70000108.3T70 L98 R100V33-T70 HydrophobicContact CG1-CG2 4.11Å; V33-L98 HydrophobicContact CB-CB 4.34Å; V33-L98 PolarHBondContact N-O 3.5Å; V33-L98 WeakPolarHBondContact O-CB 3.5Å; V33-L98 PolarHBondContact O-N 3.38Å; V33-R100 HydrophobicContact CG2-CB 3.96Å; V33-R100 HydrophobicContact CG2-CG 4Å
34V88.8Confident81.9Confident67 Ų6778.2 Ų78.241%0.40640%0.404SS..EExtended strand (participates in β ladder)trans-79.8129.4178.9-177.70000109.7G71 L95 L109V34-G71 PolarHBondContact O-N 2.97Å; V34-L95 HydrophobicContact CG1-CD2 4.22Å; V34-L109 HydrophobicContact CB-CD1 4.27Å; V34-L109 HydrophobicContact CG1-CD1 3.85Å; V34-L109 HydrophobicContact CG2-CD1 3.83Å
35A89.2Confident80.9Confident1 Ų181.7 Ų81.71%0.00842%0.419CS..EExtended strand (participates in β ladder)trans-134.5154.8174.300000111.8V68 K69 T70 L95 V96 L98A35-V68 HydrophobicContact CB-CB 4.14Å; A35-K69 CarbonylContact C-O 3.6Å; A35-K69 WeakPolarHBondContact CA-O 3.06Å; A35-K69 WeakPolarHBondContact CB-O 3.23Å; A35-T70 HydrophobicContact CB-CG2 4.09Å; A35-L95 CarbonylContact O-C 3.54Å; A35-L95 WeakPolarHBondContact O-CA 3.36Å; A35-V96 HydrophobicContact CB-CG2 4.24Å; A35-V96 PolarHBondContact N-O 3.49Å; A35-V96 WeakPolarHBondContact O-CG2 3.47Å; A35-V96 PolarHBondContact O-N 3.21Å; A35-L98 HydrophobicContact CB-CD1 3.4Å; A35-L98 HydrophobicContact CB-CG 3.78Å
36M89.1Confident79.6Confident78 Ų7881.1 Ų81.138%0.38442%0.424SS..EExtended strand (participates in β ladder)trans-106.3133174.4-171.6179.477.400109.3V38 V68 K69 E94 L95M36-V38 PolarHBondContact O-N 3.33Å; M36-V68 CarbonylContact O-C 3.57Å; M36-V68 WeakPolarHBondContact O-CA 3.15Å; M36-K69 PolarHBondContact N-O 2.57Å; M36-K69 PolarHBondContact O-N 3Å; M36-E94 WeakPolarHBondContact CA-O 3.49Å; M36-L95 HydrophobicContact CB-CD2 4.06Å; M36-L95 HydrophobicContact CG-CD2 4.4Å
37I89.2Confident78.4Confident0 Ų079.3 Ų79.30%042%0.422CS..EExtended strand (participates in β ladder)trans-71.1122.6173.4-57.7171000107.8I40 I66 L90 G93 E94 V96I37-I40 HydrophobicContact CG2-CG1 4.23Å; I37-I66 HydrophobicContact CG1-CG2 4.49Å; I37-I66 HydrophobicContact CG2-CG2 3.87Å; I37-L90 HydrophobicContact CD1-CB 4.01Å; I37-L90 HydrophobicContact CD1-CD2 3.74Å; I37-L90 HydrophobicContact CD1-CG 4.41Å; I37-G93 PolarHBondContact O-N 3.44Å; I37-E94 HydrophobicContact CD1-CB 4.48Å; I37-E94 PolarHBondContact N-O 3.23Å; I37-V96 HydrophobicContact CD1-CG1 3.76Å; I37-V96 HydrophobicContact CG1-CG1 4.05Å; I37-V96 HydrophobicContact CG1-CG2 4.17Å
38V89.1Confident77.3Confident66 Ų6680.9 Ų80.940%0.443%0.433SS..EExtended strand (participates in β ladder)trans-90-51.4177.2-178.90000109.5M36 I67 K69M36-V38 PolarHBondContact O-N 3.33Å; V38-I67 HydrophobicContact CB-CB 4.47Å; V38-I67 HydrophobicContact CB-CG2 4.11Å; V38-I67 HydrophobicContact CG2-CG2 4.47Å; V38-I67 PolarHBondContact N-O 2.94Å; V38-K69 HydrophobicContact CG2-CB 3.74Å
39E89.6Confident75.6Confident110 Ų11081.6 Ų81.651%0.51445%0.445SS..EExtended strand (participates in β ladder)trans-156.8151.5-173.8-168171.6-175.100110.4V41 I67E39-V41 HydrophobicContact CG-CG2 4.27Å; E39-I67 PolarHBondContact O-N 3.26Å
40I86.6Confident74Confident54 Ų5481.2 Ų81.228%0.27745%0.45SS..EExtended strand (participates in β ladder)trans-111.5117.7174.9-58.8172.8000106.5I37 V64 L90I37-I40 HydrophobicContact CG2-CG1 4.23Å; I40-V64 HydrophobicContact CG2-CG1 3.37Å; I40-L90 HydrophobicContact CD1-CB 4.1Å; I40-L90 WeakPolarHBondContact CD1-O 3.4Å
41V84.9Confident72.5Confident42 Ų4284.3 Ų84.326%0.25546%0.458SS..EExtended strand (participates in β ladder)trans-110.3123.9-173.9-178.50000109E39 L43 V64 G65 I67E39-V41 HydrophobicContact CG-CG2 4.27Å; V41-L43 HydrophobicContact CG1-CD2 4.32Å; V41-V64 WeakPolarHBondContact O-CA 3.46Å; V41-G65 PolarHBondContact N-O 3Å; V41-G65 PolarHBondContact O-N 3.27Å; V41-G65 VanDerWaalsContact O-O 3.13Å; V41-I67 HydrophobicContact CG2-CD1 3.76Å; V41-I67 HydrophobicContact CG2-CG1 4.23Å
42T81.7Confident70.5Confident101 Ų10186 Ų8662%0.6246%0.461SS*.EExtended strand (participates in β ladder)trans-82.1122.9166.950.20000108.9N63 V64T42-N63 CarbonylContact C-O 3.59Å; T42-N63 WeakPolarHBondContact CA-O 3.42Å; T42-V64 HydrophobicContact CG2-CG2 4.35Å
43L72.5Confident68.3Low62 Ų6289.4 Ų89.433%0.32550%0.495SS..  trans-92.3114.5176.5-68.6179.4000109.8V41 E45 N63 F78V41-L43 HydrophobicContact CG1-CD2 4.32Å; L43-E45 PolarHBondContact O-N 3.26Å; L43-N63 PolarHBondContact N-O 3.46Å; L43-N63 WeakPolarHBondContact O-CB 3.15Å; L43-F78 HydrophobicContact CD1-CE1 4.28Å; L43-F78 HydrophobicContact CD1-CZ 3.73Å; L43-F78 HydrophobicContact CD2-CZ 4.42Å; L43-F78 HydrophobicContact CG-CZ 4.26Å
44D67.2Low65.9Low115 Ų11593 Ų9362%0.61553%0.527SS*.  trans-74.9123171.6-65.8-25.6000109.8N46 S47D44-N46 PolarHBondContact O-N 3.03Å; D44-S47 PolarHBondContact O-N 3.02Å; D44-S47 PolarHBondContact O-OG 3.03Å
45E60.4Low63.5Low137 Ų13799 Ų9964%0.6455%0.548SS*.G310 helixtrans-54-23.7-177.4-72.2176.9-172.200113.4L43 S47 N63L43-E45 PolarHBondContact O-N 3.26Å; E45-S47 VanDerWaalsContact C-N 3.32Å; E45-S47 PolarHBondContact O-N 2.9Å; E45-N63 WeakPolarHBondContact CG-ND2 3.49Å; E45-N63 PolarHBondContact OE1-ND2 3.18Å; E45-N63 PolarHBondContact OE1-OD1 3.32Å
46N52.4Low61.1Low153 Ų153104.8 Ų104.882%0.81858%0.577SS**G310 helixtrans-80.2-6.7-172.9-64.8-20.4000114.6D44D44-N46 PolarHBondContact O-N 3.03Å
47S52Low58.6Low90 Ų90107.9 Ų107.963%0.62960%0.6SS**G310 helixtrans-102.9-9-175.758.40000114.3D44 E45 C49D44-S47 PolarHBondContact O-N 3.02Å; D44-S47 PolarHBondContact O-OG 3.03Å; E45-S47 VanDerWaalsContact C-N 3.32Å; E45-S47 PolarHBondContact O-N 2.9Å; S47-C49 VanDerWaalsContact C-N 3.3Å; S47-C49 PolarHBondContact O-N 3.46Å
48I49.2Very low56.4Low116 Ų116112 Ų11260%0.59563%0.625SS**SBendtrans-94.563177.4-48175.7000108.8
49C38Very low53.9Low86 Ų86113.5 Ų113.558%0.58164%0.638SS**  trans-62.6132.9175.6-76.40000112.3S47 K51S47-C49 VanDerWaalsContact C-N 3.3Å; S47-C49 PolarHBondContact O-N 3.46Å; C49-K51 VanDerWaalsContact C-N 3.35Å; C49-K51 PolarHBondContact O-N 3.31Å
50D42Very low51.5Low149 Ų149116.4 Ų116.480%0.79765%0.652SS**SBend63.61.7129.7-59.3-29.3000121.7
51K46Very low49.8Very low198 Ų198123 Ų12386%0.86168%0.678SS**SBendtrans-133.8-9.3176.2-69.3-174.1-179.2175.20117.7C49C49-K51 VanDerWaalsContact C-N 3.35Å; C49-K51 PolarHBondContact O-N 3.31Å
52L41.5Very low48.3Very low125 Ų125125.6 Ų125.665%0.65469%0.691SS**SBendtrans-126.45.9-176.9-80.2162.8000114.9A54L52-A54 PolarHBondContact O-N 2.83Å
53A37.1Very low47.8Very low105 Ų105124.6 Ų124.687%0.86868%0.682SS**THydrogen-bonded Turntrans-61.9-4.1-174.700000115.5
54A37.8Very low48Very low99 Ų99123 Ų12382%0.81867%0.674SS**THydrogen-bonded Turntrans-102.6-4.8-173.600000116.1L52L52-A54 PolarHBondContact O-N 2.83Å
55K39Very low48.7Very low193 Ų193117.5 Ų117.584%0.83965%0.645SS**THydrogen-bonded Turntrans-133-4.8-173.5-92.8-176.3178.8176.90118
56I37.8Very low50Low121 Ų121111 Ų11162%0.62161%0.614SS**  trans-121.990.3178.1-41.4178.7000107.8V58I56-V58 HydrophobicContact CB-CG2 4.09Å; I56-V58 HydrophobicContact CG2-CB 4.37Å; I56-V58 HydrophobicContact CG2-CG2 3.22Å; I56-V58 PolarHBondContact O-N 2.85Å
57V36.3Very low51.7Low144 Ų144105.5 Ų105.587%0.87359%0.585SS**  trans-64.173.9154.3-178.40000105.8S59V57-S59 PolarHBondContact O-N 3.41Å
58V42.8Very low53.5Low87 Ų87101.2 Ų101.253%0.52756%0.555SS.*  trans-67.9100.1161.4-177.80000103.2I56 Q60I56-V58 HydrophobicContact CB-CG2 4.09Å; I56-V58 HydrophobicContact CG2-CB 4.37Å; I56-V58 HydrophobicContact CG2-CG2 3.22Å; I56-V58 PolarHBondContact O-N 2.85Å; V58-Q60 PolarHBondContact O-N 3.31Å
59S38.2Very low55.5Low97 Ų97100.2 Ų100.268%0.67855%0.546SS*.  trans-44.5111172.2177.30000108.6V57 K61V57-S59 PolarHBondContact O-N 3.41Å; S59-K61 PolarHBondContact O-N 3.22Å
60Q37.6Very low57.8Low171 Ų17196.6 Ų96.680%0.79952%0.522SS*.SBendtrans-25.5116.4162.5-65.7171.9-20.300111V58V58-Q60 PolarHBondContact O-N 3.31Å
61K50.9Low59.5Low192 Ų19292.3 Ų92.384%0.83551%0.512SS*.SBend169.2-11.7124.7-92.8174.5177.9-178.40115.6S59S59-K61 PolarHBondContact O-N 3.22Å
62N55Low60.7Low96 Ų9689.1 Ų89.151%0.51351%0.505SS..  trans-134.6110.9177.6-69.1-21.3000111V64 L87N62-V64 PolarHBondContact O-N 3.06Å; N62-L87 HydrophobicContact CB-CD1 4.35Å
63N69.7Low61.9Low80 Ų8089.4 Ų89.443%0.42850%0.503SS..  trans-72.939.5174.3-75.9-11.8000112.6T42 L43 E45T42-N63 CarbonylContact C-O 3.59Å; T42-N63 WeakPolarHBondContact CA-O 3.42Å; L43-N63 PolarHBondContact N-O 3.46Å; L43-N63 WeakPolarHBondContact O-CB 3.15Å; E45-N63 WeakPolarHBondContact CG-ND2 3.49Å; E45-N63 PolarHBondContact OE1-ND2 3.18Å; E45-N63 PolarHBondContact OE1-OD1 3.32Å
64V76.7Confident63.5Low28 Ų2894.5 Ų94.517%0.1750%0.499CS..EExtended strand (participates in β ladder)trans-125.4115.5-173.2-172.30000109I40 V41 T42 N62 L87I40-V64 HydrophobicContact CG2-CG1 3.37Å; V41-V64 WeakPolarHBondContact O-CA 3.46Å; T42-V64 HydrophobicContact CG2-CG2 4.35Å; N62-V64 PolarHBondContact O-N 3.06Å; V64-L87 HydrophobicContact CB-CD1 4.14Å; V64-L87 HydrophobicContact CB-CD2 4.27Å; V64-L87 HydrophobicContact CG1-CD1 4.47Å; V64-L87 HydrophobicContact CG1-CD2 3.88Å; V64-L87 HydrophobicContact CG2-CD1 4.09Å
65G82.9Confident65.5Low0 Ų090.6 Ų90.60%047%0.469CS..EExtended strand (participates in β ladder)trans-100.6150.7169.800000111.5V41 L79V41-G65 PolarHBondContact N-O 3Å; V41-G65 PolarHBondContact O-N 3.27Å; V41-G65 VanDerWaalsContact O-O 3.13Å; G65-L79 CarbonylContact C-O 3.51Å; G65-L79 VanDerWaalsContact CA-O 3.29Å; G65-L79 WeakPolarHBondContact CA-O 3.31Å
66I86.4Confident67.8Low0 Ų085.8 Ų85.80%046%0.456CS..EExtended strand (participates in β ladder)trans-119.9128.5-180-55.8-175.4000109.1I37 V68 L79 P82 L87 L90 I105I37-I66 HydrophobicContact CG1-CG2 4.49Å; I37-I66 HydrophobicContact CG2-CG2 3.87Å; I66-V68 HydrophobicContact CG2-CG1 3.8Å; I66-L79 PolarHBondContact N-O 3.13Å; I66-L79 WeakPolarHBondContact O-CB 3.43Å; I66-L79 PolarHBondContact O-N 3.04Å; I66-P82 HydrophobicContact CD1-CB 3.65Å; I66-P82 HydrophobicContact CG1-CB 4.47Å; I66-L87 HydrophobicContact CD1-CD2 4.2Å; I66-L90 HydrophobicContact CD1-CD1 3.31Å; I66-I105 HydrophobicContact CD1-CD1 3.9Å; I66-I105 HydrophobicContact CG2-CD1 4.43Å
67I89.8Confident70.1Confident38 Ų3882.2 Ų82.220%0.19544%0.435CS..EExtended strand (participates in β ladder)trans-92.2118.4173.2-60.3175.5000107.8V38 E39 V41 V76 Y77 F78V38-I67 HydrophobicContact CB-CB 4.47Å; V38-I67 HydrophobicContact CB-CG2 4.11Å; V38-I67 HydrophobicContact CG2-CG2 4.47Å; V38-I67 PolarHBondContact N-O 2.94Å; E39-I67 PolarHBondContact O-N 3.26Å; V41-I67 HydrophobicContact CG2-CD1 3.76Å; V41-I67 HydrophobicContact CG2-CG1 4.23Å; I67-V76 HydrophobicContact CG2-CG1 3.34Å; I67-Y77 WeakPolarHBondContact CA-O 3.14Å; I67-F78 HydrophobicContact CG1-CD2 4.01Å
68V89.7Confident72.5Confident0 Ų080 Ų800%041%0.413CS..EExtended strand (participates in β ladder)trans-117.6141.5179.4-60.30000111A35 M36 I66 V76 Y77 L79 L98A35-V68 HydrophobicContact CB-CB 4.14Å; M36-V68 CarbonylContact O-C 3.57Å; M36-V68 WeakPolarHBondContact O-CA 3.15Å; I66-V68 HydrophobicContact CG2-CG1 3.8Å; V68-V76 CarbonylContact O-C 3.57Å; V68-V76 WeakPolarHBondContact O-CA 3.31Å; V68-Y77 PolarHBondContact N-O 3.22Å; V68-Y77 PolarHBondContact O-N 3.13Å; V68-L79 HydrophobicContact CB-CD1 4.47Å; V68-L79 HydrophobicContact CG1-CD1 3.83Å; V68-L79 HydrophobicContact CG1-CG 4.47Å; V68-L79 HydrophobicContact CG2-CD1 3.75Å; V68-L79 HydrophobicContact CG2-CD2 4.47Å; V68-L79 HydrophobicContact CG2-CG 3.91Å; V68-L98 HydrophobicContact CG2-CD1 3.9Å
69K89.7Confident74.5Confident96 Ų9676.4 Ų76.442%0.41739%0.391SS..EExtended strand (participates in β ladder)trans-107.6120.7173.3-176.1177.9-178.8177.70109.5A35 M36 V38 V76A35-K69 CarbonylContact C-O 3.6Å; A35-K69 WeakPolarHBondContact CA-O 3.06Å; A35-K69 WeakPolarHBondContact CB-O 3.23Å; M36-K69 PolarHBondContact N-O 2.57Å; M36-K69 PolarHBondContact O-N 3Å; V38-K69 HydrophobicContact CG2-CB 3.74Å; K69-V76 HydrophobicContact CG-CG2 4.43Å
70T87.5Confident76.5Confident10 Ų1075.2 Ų75.26%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-85145.9179.352.60000111.8V33 A35 G75 Y77 L98V33-T70 HydrophobicContact CG1-CG2 4.11Å; A35-T70 HydrophobicContact CB-CG2 4.09Å; T70-G75 PolarHBondContact N-O 3.44Å; T70-G75 PolarHBondContact OG1-O 2.68Å; T70-G75 VanDerWaalsContact OG1-O 3.1Å; T70-Y77 HydrophobicContact CG2-CD2 3.66Å; T70-Y77 HydrophobicContact CG2-CE2 3.77Å; T70-Y77 WeakPolarHBondContact OG1-CE2 3.43Å; T70-L98 HydrophobicContact CG2-CD1 4.06Å
71G76.3Confident78.3Confident58 Ų5872 Ų7260%0.59837%0.369SS*.THydrogen-bonded Turntrans-69.2-42.9177.200000113.4V34V34-G71 PolarHBondContact O-N 2.97Å
72D71.8Confident79.2Confident132 Ų13263.1 Ų63.171%0.70633%0.331SS*.THydrogen-bonded Turntrans-68.7-41.1-168.2-61.4-17.3000113.4
73E66.3Low80.3Confident130 Ų13059.7 Ų59.761%0.60732%0.319SS*.THydrogen-bonded Turntrans-112.5-0.5-169.9-65.6174.5168.700112.8G75 Y77E73-G75 PolarHBondContact O-N 2.84Å; E73-Y77 PolarHBondContact OE2-OH 3.14Å
74R71.6Confident80.7Confident212 Ų21261 Ų6180%0.832%0.321SS*.  trans48.917.3-164.6-61.1-179178.1178.90.5113.3
75G79.9Confident81Confident18 Ų1860.4 Ų60.419%0.18632%0.317CS..  trans-77.4138.4-178.100000111.1T70 E73T70-G75 PolarHBondContact N-O 3.44Å; T70-G75 PolarHBondContact OG1-O 2.68Å; T70-G75 VanDerWaalsContact OG1-O 3.1Å; E73-G75 PolarHBondContact O-N 2.84Å
76V87.2Confident81Confident91 Ų9163.6 Ų63.655%0.55234%0.338SS*.EExtended strand (participates in β ladder)trans-98.3125.4171.8-178.60000107.8I67 V68 K69I67-V76 HydrophobicContact CG2-CG1 3.34Å; V68-V76 CarbonylContact O-C 3.57Å; V68-V76 WeakPolarHBondContact O-CA 3.31Å; K69-V76 HydrophobicContact CG-CG2 4.43Å
77Y86.9Confident80.7Confident47 Ų4766 Ų6618%0.18435%0.351CS..EExtended strand (participates in β ladder)trans-121.5134.5-176.6-64.4-66.5000110.3I67 V68 T70 E73 R103I67-Y77 WeakPolarHBondContact CA-O 3.14Å; V68-Y77 PolarHBondContact N-O 3.22Å; V68-Y77 PolarHBondContact O-N 3.13Å; T70-Y77 HydrophobicContact CG2-CD2 3.66Å; T70-Y77 HydrophobicContact CG2-CE2 3.77Å; T70-Y77 WeakPolarHBondContact OG1-CE2 3.43Å; E73-Y77 PolarHBondContact OE2-OH 3.14Å; Y77-R103 VanDerWaalsContact CD1-NH1 3.32Å; Y77-R103 VanDerWaalsContact CZ-CZ 3.43Å; Y77-R103 VanDerWaalsContact CZ-NH2 3.3Å; Y77-R103 PolarHBondContact OH-NH2 3.01Å
78F86.7Confident80.4Confident97 Ų9773.2 Ų73.243%0.42538%0.384SS..EExtended strand (participates in β ladder)trans-90.5122.3170179.5-103.3000109.6L43 I67 P80L43-F78 HydrophobicContact CD1-CE1 4.28Å; L43-F78 HydrophobicContact CD1-CZ 3.73Å; L43-F78 HydrophobicContact CD2-CZ 4.42Å; L43-F78 HydrophobicContact CG-CZ 4.26Å; I67-F78 HydrophobicContact CG1-CD2 4.01Å; F78-P80 HydrophobicContact CE1-CB 4.09Å
79L84.7Confident80Confident12 Ų1278.4 Ų78.46%0.06341%0.409CS..EExtended strand (participates in β ladder)trans-105.3109.3177.6-58.2-176.2000109.2G65 I66 V68 N81 L98 R103 I105G65-L79 CarbonylContact C-O 3.51Å; G65-L79 VanDerWaalsContact CA-O 3.29Å; G65-L79 WeakPolarHBondContact CA-O 3.31Å; I66-L79 PolarHBondContact N-O 3.13Å; I66-L79 WeakPolarHBondContact O-CB 3.43Å; I66-L79 PolarHBondContact O-N 3.04Å; V68-L79 HydrophobicContact CB-CD1 4.47Å; V68-L79 HydrophobicContact CG1-CD1 3.83Å; V68-L79 HydrophobicContact CG1-CG 4.47Å; V68-L79 HydrophobicContact CG2-CD1 3.75Å; V68-L79 HydrophobicContact CG2-CD2 4.47Å; V68-L79 HydrophobicContact CG2-CG 3.91Å; L79-N81 PolarHBondContact O-N 3.32Å; L79-L98 HydrophobicContact CD1-CD2 3.99Å; L79-R103 WeakPolarHBondContact CD1-O 3.42Å; L79-R103 HydrophobicContact CD2-CB 3.88Å; L79-R103 WeakPolarHBondContact CD2-O 3.32Å; L79-I105 HydrophobicContact CD1-CD1 4.23Å; L79-I105 HydrophobicContact CD1-CG1 3.95Å
80P78.4Confident79.7Confident72 Ų7274.2 Ų74.247%0.46839%0.392SS..SBendtrans-73.6-9.7179.429.6-35.2000113.1F78F78-P80 HydrophobicContact CE1-CB 4.09Å
81N75.8Confident79.6Confident102 Ų10277.2 Ų77.255%0.54541%0.41SS..SBendtrans-132.3121.7179.1-164.8-7.1000109.5L79 G83L79-N81 PolarHBondContact O-N 3.32Å; N81-G83 PolarHBondContact O-N 3.39Å
82P70.8Confident80.1Confident6 Ų678.1 Ų78.14%0.03941%0.405CS..  trans-67.1-4.4-175.527.7-38.8000115I66 L87 L90 I105I66-P82 HydrophobicContact CD1-CB 3.65Å; I66-P82 HydrophobicContact CG1-CB 4.47Å; P82-L87 HydrophobicContact CB-CD2 3.47Å; P82-L87 VanDerWaalsContact CB-CD2 3.47Å; P82-L87 HydrophobicContact CB-CG 4.14Å; P82-L87 HydrophobicContact CG-CD1 4.38Å; P82-L87 HydrophobicContact CG-CD2 3.68Å; P82-L87 HydrophobicContact CG-CG 3.96Å; P82-L90 HydrophobicContact CB-CD1 4.24Å; P82-I105 WeakPolarHBondContact O-CB 3.37Å
83G77.2Confident80.6Confident25 Ų2574.1 Ų74.126%0.25839%0.394SS..THydrogen-bonded Turntrans79.7-141.4176.200000113.6N81N81-G83 PolarHBondContact O-N 3.39Å
84F79.1Confident81.5Confident107 Ų10771.3 Ų71.347%0.46938%0.381SS..THydrogen-bonded Turntrans-92-11.5-172.1-63.4-78.5000114.2L24 V104 I105 L106L24-F84 HydrophobicContact CD2-CD1 3.9Å; L24-F84 HydrophobicContact CD2-CE1 3.26Å; L24-F84 HydrophobicContact CD2-CE2 4.46Å; L24-F84 HydrophobicContact CD2-CZ 3.59Å; F84-V104 HydrophobicContact CD2-CG1 4.42Å; F84-V104 HydrophobicContact CE2-CG1 4.38Å; F84-I105 PolarHBondContact N-O 3.42Å; F84-L106 HydrophobicContact CD2-CD2 3.63Å; F84-L106 HydrophobicContact CE2-CD2 3.61Å
85V82.2Confident82.3Confident15 Ų1563 Ų639%0.09135%0.353CS..SBendtrans-88.6132179.7-179.30000109.3L87 M89 L90 I105 M108V85-L87 PolarHBondContact O-N 3.28Å; V85-M89 HydrophobicContact CG1-CB 4.19Å; V85-L90 HydrophobicContact CB-CD2 4.04Å; V85-L90 HydrophobicContact CG1-CD2 3.56Å; V85-L90 HydrophobicContact CG1-CG 3.99Å; V85-I105 HydrophobicContact CB-CG2 4.2Å; V85-I105 HydrophobicContact CG2-CG2 3.76Å; V85-M108 HydrophobicContact CB-CG 4.44Å; V85-M108 HydrophobicContact CG1-CG 3.6Å; V85-M108 HydrophobicContact CG1-SD 3.73Å; V85-M108 HydrophobicContact CG2-CG 4.03Å
86P82.6Confident82.7Confident68 Ų6862.1 Ų62.144%0.44234%0.344SS..  trans-62.9136.8177.326-34.3000111.1Q88 M89P86-Q88 PolarHBondContact O-N 3.23Å; P86-M89 HydrophobicContact CG-CB 4.29Å; P86-M89 HydrophobicContact CG-CE 4.18Å; P86-M89 HydrophobicContact CG-CG 3.83Å; P86-M89 HydrophobicContact CG-SD 3.62Å; P86-M89 PolarHBondContact O-N 3.37Å
87L80.8Confident82.8Confident49 Ų4957.8 Ų57.826%0.25732%0.318SS..G310 helixtrans-52.9-29.6-178.8-74.8169.7000114N62 V64 I66 P82 V85 M89 L90N62-L87 HydrophobicContact CB-CD1 4.35Å; V64-L87 HydrophobicContact CB-CD1 4.14Å; V64-L87 HydrophobicContact CB-CD2 4.27Å; V64-L87 HydrophobicContact CG1-CD1 4.47Å; V64-L87 HydrophobicContact CG1-CD2 3.88Å; V64-L87 HydrophobicContact CG2-CD1 4.09Å; I66-L87 HydrophobicContact CD1-CD2 4.2Å; P82-L87 HydrophobicContact CB-CD2 3.47Å; P82-L87 VanDerWaalsContact CB-CD2 3.47Å; P82-L87 HydrophobicContact CB-CG 4.14Å; P82-L87 HydrophobicContact CG-CD1 4.38Å; P82-L87 HydrophobicContact CG-CD2 3.68Å; P82-L87 HydrophobicContact CG-CG 3.96Å; V85-L87 PolarHBondContact O-N 3.28Å; L87-M89 VanDerWaalsContact C-N 3.26Å; L87-M89 PolarHBondContact O-N 3.45Å; L87-L90 HydrophobicContact CD2-CD1 4.34Å; L87-L90 PolarHBondContact O-N 3.12Å
88Q82.8Confident82.9Confident190 Ų19055.7 Ų55.789%0.88831%0.309SS*.G310 helixtrans-68.7-23.4-179.8-65.2173.9-5.900113.6P86P86-Q88 PolarHBondContact O-N 3.23Å
89M82.9Confident82.8Confident110 Ų11052.8 Ų52.854%0.54230%0.297SS..G310 helixtrans-88.7-15.6178.2-68.6-177177.600112.3V85 P86 L87 V91 E94 M108V85-M89 HydrophobicContact CG1-CB 4.19Å; P86-M89 HydrophobicContact CG-CB 4.29Å; P86-M89 HydrophobicContact CG-CE 4.18Å; P86-M89 HydrophobicContact CG-CG 3.83Å; P86-M89 HydrophobicContact CG-SD 3.62Å; P86-M89 PolarHBondContact O-N 3.37Å; L87-M89 VanDerWaalsContact C-N 3.26Å; L87-M89 PolarHBondContact O-N 3.45Å; M89-V91 PolarHBondContact O-N 3.15Å; M89-E94 VanDerWaalsContact O-OE2 3.1Å; M89-M108 HydrophobicContact CB-CE 3.99Å; M89-M108 HydrophobicContact CB-SD 3.68Å; M89-M108 HydrophobicContact SD-CE 4.4Å
90L83.1Confident82.7Confident8 Ų860.9 Ų60.94%0.04233%0.327CS..  trans-83.9115.2-174.9-61.8175.5000109.5I37 I40 I66 P82 V85 L87 V96 I105 M108I37-L90 HydrophobicContact CD1-CB 4.01Å; I37-L90 HydrophobicContact CD1-CD2 3.74Å; I37-L90 HydrophobicContact CD1-CG 4.41Å; I40-L90 HydrophobicContact CD1-CB 4.1Å; I40-L90 WeakPolarHBondContact CD1-O 3.4Å; I66-L90 HydrophobicContact CD1-CD1 3.31Å; P82-L90 HydrophobicContact CB-CD1 4.24Å; V85-L90 HydrophobicContact CB-CD2 4.04Å; V85-L90 HydrophobicContact CG1-CD2 3.56Å; V85-L90 HydrophobicContact CG1-CG 3.99Å; L87-L90 HydrophobicContact CD2-CD1 4.34Å; L87-L90 PolarHBondContact O-N 3.12Å; L90-V96 HydrophobicContact CD2-CG1 4.26Å; L90-I105 HydrophobicContact CD1-CD1 4.34Å; L90-M108 HydrophobicContact CD2-CG 4.37Å; L90-M108 HydrophobicContact CD2-SD 4.2Å
91V85Confident82.9Confident73 Ų7366.1 Ų66.144%0.44234%0.342SS..  trans-115.3138.9176.5-175.20000110.1M89 G93 E94M89-V91 PolarHBondContact O-N 3.15Å; V91-G93 PolarHBondContact O-N 3.26Å; V91-E94 HydrophobicContact CB-CG 4.06Å; V91-E94 PolarHBondContact N-OE2 3.34Å; V91-E94 WeakPolarHBondContact O-CB 3.49Å; V91-E94 PolarHBondContact O-N 3.37Å; V91-E94 VanDerWaalsContact O-N 3.15Å
92P85.7Confident83Confident77 Ų7765.8 Ų65.850%0.534%0.34SS..THydrogen-bonded Turntrans-52.1130.5170.3-27.235.9000111.9
93G82.7Confident83.5Confident47 Ų4770.3 Ų70.349%0.48536%0.357SS..THydrogen-bonded Turntrans97.4-13.1-177.100000115.1I37 V91I37-G93 PolarHBondContact O-N 3.44Å; V91-G93 PolarHBondContact O-N 3.26Å
94E85.5Confident83.8Confident71 Ų7171 Ų7133%0.33236%0.356SS..  trans-75.5153.1177.6-69.7-173.2159.500112.9M36 I37 M89 V91M36-E94 WeakPolarHBondContact CA-O 3.49Å; I37-E94 HydrophobicContact CD1-CB 4.48Å; I37-E94 PolarHBondContact N-O 3.23Å; M89-E94 VanDerWaalsContact O-OE2 3.1Å; V91-E94 HydrophobicContact CB-CG 4.06Å; V91-E94 PolarHBondContact N-OE2 3.34Å; V91-E94 WeakPolarHBondContact O-CB 3.49Å; V91-E94 PolarHBondContact O-N 3.37Å; V91-E94 VanDerWaalsContact O-N 3.15Å
95L87.9Confident84.2Confident38 Ų3866 Ų6620%0.19933%0.334CS..EExtended strand (participates in β ladder)trans-92.9135.3177.8-66171.4000110.2V34 A35 M36 L109 C112V34-L95 HydrophobicContact CG1-CD2 4.22Å; A35-L95 CarbonylContact O-C 3.54Å; A35-L95 WeakPolarHBondContact O-CA 3.36Å; M36-L95 HydrophobicContact CB-CD2 4.06Å; M36-L95 HydrophobicContact CG-CD2 4.4Å; L95-L109 HydrophobicContact CB-CB 4.06Å; L95-L109 PolarHBondContact O-N 2.94Å; L95-C112 HydrophobicContact CD1-CB 3.69Å; L95-C112 WeakPolarHBondContact CD1-SG 3.48Å
96V89.6Confident84.3Confident0 Ų065.6 Ų65.60%033%0.331CS..EExtended strand (participates in β ladder)trans-131.1147.1-179.7-68.30000111.3A35 I37 L90 L98 I105 E107A35-V96 HydrophobicContact CB-CG2 4.24Å; A35-V96 PolarHBondContact N-O 3.49Å; A35-V96 WeakPolarHBondContact O-CG2 3.47Å; A35-V96 PolarHBondContact O-N 3.21Å; I37-V96 HydrophobicContact CD1-CG1 3.76Å; I37-V96 HydrophobicContact CG1-CG1 4.05Å; I37-V96 HydrophobicContact CG1-CG2 4.17Å; L90-V96 HydrophobicContact CD2-CG1 4.26Å; V96-L98 HydrophobicContact CG2-CD2 4.17Å; V96-I105 HydrophobicContact CB-CG2 4.01Å; V96-I105 HydrophobicContact CG1-CG2 4.06Å; V96-I105 HydrophobicContact CG2-CG1 4.25Å; V96-E107 WeakPolarHBondContact CA-O 3.48Å
97G89Confident84.5Confident0 Ų065.9 Ų65.90%033%0.327CS..EExtended strand (participates in β ladder)trans-88.1116.5171.300000110.5L106 E107G97-L106 PolarHBondContact O-N 3.13Å; G97-E107 PolarHBondContact N-O 3.47Å
98L88Confident84.7Confident2 Ų267 Ų671%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-97.2144.3175.1-58.2-178000111.4V33 A35 V68 T70 L79 V96 R100 V104 I105V33-L98 HydrophobicContact CB-CB 4.34Å; V33-L98 PolarHBondContact N-O 3.5Å; V33-L98 WeakPolarHBondContact O-CB 3.5Å; V33-L98 PolarHBondContact O-N 3.38Å; A35-L98 HydrophobicContact CB-CD1 3.4Å; A35-L98 HydrophobicContact CB-CG 3.78Å; V68-L98 HydrophobicContact CG2-CD1 3.9Å; T70-L98 HydrophobicContact CG2-CD1 4.06Å; L79-L98 HydrophobicContact CD1-CD2 3.99Å; V96-L98 HydrophobicContact CG2-CD2 4.17Å; L98-R100 PolarHBondContact O-N 3.06Å; L98-V104 WeakPolarHBondContact CA-O 3.27Å; L98-I105 HydrophobicContact CD2-CB 4.23Å; L98-I105 HydrophobicContact CD2-CG1 3.49Å; L98-I105 VanDerWaalsContact CD2-CG1 3.49Å
99H85.6Confident84.9Confident37 Ų3760 Ų6017%0.17130%0.3CS..EExtended strand (participates in β ladder)trans-69.1126.2167.4-173.9-105.5000110.8K101 N102 R103 V104 L106H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact ND1-N 3.34Å; H99-K101 PolarHBondContact O-N 2.91Å; H99-K101 VanDerWaalsContact O-N 3.11Å; H99-N102 PolarHBondContact ND1-N 3.08Å; H99-N102 PolarHBondContact O-N 3.09Å; H99-R103 WeakPolarHBondContact O-CA 3.37Å; H99-R103 PolarHBondContact O-N 3.38Å; H99-V104 PolarHBondContact N-O 3.2Å; H99-L106 HydrophobicContact CB-CD1 3.74Å; H99-L106 HydrophobicContact CB-CG 4.15Å
100R82.1Confident84.7Confident181 Ų18159.6 Ų59.668%0.68331%0.305SS*.THydrogen-bonded Turntrans-52-39.4-173.9-171.9176.9177.6-1751114.9V33 L98V33-R100 HydrophobicContact CG2-CB 3.96Å; V33-R100 HydrophobicContact CG2-CG 4Å; L98-R100 PolarHBondContact O-N 3.06Å
101K81.6Confident84.2Confident183 Ų18363.7 Ų63.780%0.79633%0.333SS*.THydrogen-bonded Turntrans-90.2-39.3-176.8-64.6-174.9177.6-177.30114H99H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact ND1-N 3.34Å; H99-K101 PolarHBondContact O-N 2.91Å; H99-K101 VanDerWaalsContact O-N 3.11Å
102N79.5Confident83.4Confident94 Ų9464.3 Ų64.350%0.50334%0.339SS..THydrogen-bonded Turntrans-98.9-14.1-168.9-61.814.8000111.7H99 V104H99-N102 PolarHBondContact ND1-N 3.08Å; H99-N102 PolarHBondContact O-N 3.09Å; N102-V104 HydrophobicContact CB-CG2 3.92Å; N102-V104 PolarHBondContact O-N 2.94Å; N102-V104 VanDerWaalsContact O-N 3.14Å
103R79.9Confident82.6Confident102 Ų10262.5 Ų62.539%0.38532%0.324SS..  trans53.827.9-175.7-58179.7175.3159.2-6.5113.5Y77 L79 H99Y77-R103 VanDerWaalsContact CD1-NH1 3.32Å; Y77-R103 VanDerWaalsContact CZ-CZ 3.43Å; Y77-R103 VanDerWaalsContact CZ-NH2 3.3Å; Y77-R103 PolarHBondContact OH-NH2 3.01Å; L79-R103 WeakPolarHBondContact CD1-O 3.42Å; L79-R103 HydrophobicContact CD2-CB 3.88Å; L79-R103 WeakPolarHBondContact CD2-O 3.32Å; H99-R103 WeakPolarHBondContact O-CA 3.37Å; H99-R103 PolarHBondContact O-N 3.38Å
104V85Confident82Confident40 Ų4061.9 Ų61.924%0.24231%0.31CS..  trans-85.7138.8175.4179.60000109.1F84 L98 H99 N102 L106F84-V104 HydrophobicContact CD2-CG1 4.42Å; F84-V104 HydrophobicContact CE2-CG1 4.38Å; L98-V104 WeakPolarHBondContact CA-O 3.27Å; H99-V104 PolarHBondContact N-O 3.2Å; N102-V104 HydrophobicContact CB-CG2 3.92Å; N102-V104 PolarHBondContact O-N 2.94Å; N102-V104 VanDerWaalsContact O-N 3.14Å; V104-L106 PolarHBondContact O-N 3.36Å
105I86.9Confident81.5Confident0 Ų064 Ų640%033%0.327CS..EExtended strand (participates in β ladder)trans-68.3117.8173.6-59.9167.4000108.9I66 L79 P82 F84 V85 L90 V96 L98I66-I105 HydrophobicContact CD1-CD1 3.9Å; I66-I105 HydrophobicContact CG2-CD1 4.43Å; L79-I105 HydrophobicContact CD1-CD1 4.23Å; L79-I105 HydrophobicContact CD1-CG1 3.95Å; P82-I105 WeakPolarHBondContact O-CB 3.37Å; F84-I105 PolarHBondContact N-O 3.42Å; V85-I105 HydrophobicContact CB-CG2 4.2Å; V85-I105 HydrophobicContact CG2-CG2 3.76Å; L90-I105 HydrophobicContact CD1-CD1 4.34Å; V96-I105 HydrophobicContact CB-CG2 4.01Å; V96-I105 HydrophobicContact CG1-CG2 4.06Å; V96-I105 HydrophobicContact CG2-CG1 4.25Å; L98-I105 HydrophobicContact CD2-CB 4.23Å; L98-I105 HydrophobicContact CD2-CG1 3.49Å; L98-I105 VanDerWaalsContact CD2-CG1 3.49Å
106L85.2Confident80.8Confident7 Ų766.4 Ų66.44%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-94.8-47.1179.8-69.1176.7000111.3F27 L32 F84 G97 H99 V104F27-L106 HydrophobicContact CB-CD2 4.44Å; F27-L106 WeakPolarHBondContact O-CD1 3.23Å; L32-L106 HydrophobicContact CD2-CB 4.35Å; L32-L106 HydrophobicContact CD2-CD1 3.26Å; L32-L106 HydrophobicContact CD2-CG 4.34Å; F84-L106 HydrophobicContact CD2-CD2 3.63Å; F84-L106 HydrophobicContact CE2-CD2 3.61Å; G97-L106 PolarHBondContact O-N 3.13Å; H99-L106 HydrophobicContact CB-CD1 3.74Å; H99-L106 HydrophobicContact CB-CG 4.15Å; V104-L106 PolarHBondContact O-N 3.36Å
107E86.1Confident80.1Confident74 Ų7466.5 Ų66.535%0.34633%0.334SS..EExtended strand (participates in β ladder)trans-148.8157-176.664.5-174.1-160.800111.4H28 L32 V96 G97 L109H28-E107 IonicContact ND1-OE2 3.53Å; L32-E107 HydrophobicContact CD1-CG 4.08Å; L32-E107 WeakPolarHBondContact CD1-OE1 3.09Å; V96-E107 WeakPolarHBondContact CA-O 3.48Å; G97-E107 PolarHBondContact N-O 3.47Å; E107-L109 HydrophobicContact CG-CD2 4.34Å
108M85.8Confident79.3Confident73 Ų7371.5 Ų71.536%0.3636%0.358SS..EExtended strand (participates in β ladder)trans-84.9134.6166.8-55.2-165-41.500108.8V85 M89 L90V85-M108 HydrophobicContact CB-CG 4.44Å; V85-M108 HydrophobicContact CG1-CG 3.6Å; V85-M108 HydrophobicContact CG1-SD 3.73Å; V85-M108 HydrophobicContact CG2-CG 4.03Å; M89-M108 HydrophobicContact CB-CE 3.99Å; M89-M108 HydrophobicContact CB-SD 3.68Å; M89-M108 HydrophobicContact SD-CE 4.4Å; L90-M108 HydrophobicContact CD2-CG 4.37Å; L90-M108 HydrophobicContact CD2-SD 4.2Å
109L85.4Confident78.6Confident43 Ų4375.4 Ų75.423%0.22539%0.39CS..PPolyproline II helixtrans-93144.5176.7-63.7171.6000109V34 L95 E107V34-L109 HydrophobicContact CB-CD1 4.27Å; V34-L109 HydrophobicContact CG1-CD1 3.85Å; V34-L109 HydrophobicContact CG2-CD1 3.83Å; L95-L109 HydrophobicContact CB-CB 4.06Å; L95-L109 PolarHBondContact O-N 2.94Å; E107-L109 HydrophobicContact CG-CD2 4.34Å
110P80.3Confident78.1Confident101 Ų10174.4 Ų74.466%0.65639%0.385SS*.PPolyproline II helixtrans-58.1148.7172.425.2-33.2000110.2C112P110-C112 PolarHBondContact O-N 3.15Å
111P72.3Confident77.5Confident95 Ų9567.4 Ų67.462%0.61736%0.36SS*.PPolyproline II helixtrans-57.8126.6179.223.8-33.2000110.1H113P111-H113 PolarHBondContact O-N 3.45Å
112C67.6Low76.8Confident86 Ų8661.9 Ų61.958%0.58134%0.34SS*.  trans-74.999.8174-68.60000109.1L95 P110L95-C112 HydrophobicContact CD1-CB 3.69Å; L95-C112 WeakPolarHBondContact CD1-SG 3.48Å; P110-C112 PolarHBondContact O-N 3.15Å
113H67.8Low75.7Confident38 Ų3864.3 Ų64.318%0.17635%0.353CS..  trans-71142.5157.4-59.8-63.7000108.7P111 V115P111-H113 PolarHBondContact O-N 3.45Å; H113-V115 PolarHBondContact O-N 2.77Å
114D71.8Confident74.7Confident35 Ų3567.4 Ų67.419%0.18737%0.371CS..  trans-55.7135.6172.9-83.39000108.9R116 I117 Q118 K211D114-R116 PolarHBondContact O-N 2.94Å; D114-R116 IonicContact OD2-CZ 3.01Å; D114-R116 IonicContact OD2-NE 3.78Å; D114-R116 IonicContact OD2-NH2 3.81Å; D114-R116 PolarHBondContact OD2-NH2 3.46Å; D114-I117 HydrophobicContact CB-CD1 4.08Å; D114-I117 HydrophobicContact CB-CG1 4.11Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 PolarHBondContact O-N 2.94Å; D114-Q118 PolarHBondContact O-N 2.79Å; D114-K211 IonicContact OD1-NZ 3.65Å
115V74.1Confident73.7Confident116 Ų11674.5 Ų74.570%0.70339%0.394SS*.Hα-helixtrans-51.4-31.7179.7-179.30000111.8H113 I117 Q118 A119H113-V115 PolarHBondContact O-N 2.77Å; V115-I117 VanDerWaalsContact C-N 3.28Å; V115-I117 PolarHBondContact O-N 3.34Å; V115-Q118 PolarHBondContact O-N 2.92Å; V115-A119 PolarHBondContact O-N 3.1Å
116R73.5Confident72.7Confident87 Ų8775.6 Ų75.633%0.32840%0.401SS..Hα-helixtrans-62.3-32.2176.5-63.8174.6-67.7-1681.3113.3D114 A119 M120 E208D114-R116 PolarHBondContact O-N 2.94Å; D114-R116 IonicContact OD2-CZ 3.01Å; D114-R116 IonicContact OD2-NE 3.78Å; D114-R116 IonicContact OD2-NH2 3.81Å; D114-R116 PolarHBondContact OD2-NH2 3.46Å; R116-A119 PolarHBondContact O-N 3.35Å; R116-M120 WeakPolarHBondContact O-CG 3.46Å; R116-M120 PolarHBondContact O-N 3.29Å; R116-E208 IonicContact CZ-OE1 3.51Å; R116-E208 IonicContact NH1-OE1 2.74Å; R116-E208 PolarHBondContact NH1-OE1 3.09Å; R116-E208 IonicContact NH2-OE1 3.39Å; R116-E208 PolarHBondContact NH2-OE1 3.33Å
117I74.4Confident72.1Confident2 Ų284.7 Ų84.71%0.0144%0.44CS..Hα-helixtrans-78.4-35.3179-56.7176.3000109.9D114 V115 A119 M120 E121 M212 Q215 L219D114-I117 HydrophobicContact CB-CD1 4.08Å; D114-I117 HydrophobicContact CB-CG1 4.11Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 PolarHBondContact O-N 2.94Å; V115-I117 VanDerWaalsContact C-N 3.28Å; V115-I117 PolarHBondContact O-N 3.34Å; I117-A119 PolarHBondContact O-N 3.05Å; I117-M120 WeakPolarHBondContact O-CA 3.06Å; I117-M120 VanDerWaalsContact O-CB 3.3Å; I117-M120 WeakPolarHBondContact O-CB 3.38Å; I117-M120 PolarHBondContact O-N 3.42Å; I117-E121 PolarHBondContact O-N 3.3Å; I117-M212 HydrophobicContact CD1-CG 4.27Å; I117-M212 HydrophobicContact CG1-CG 4.2Å; I117-Q215 HydrophobicContact CD1-CB 3.21Å; I117-Q215 HydrophobicContact CD1-CG 4.18Å; I117-L219 HydrophobicContact CG2-CD1 4.01Å
118Q72.4Confident71.6Confident106 Ų10683.7 Ų83.750%0.49544%0.437SS..Hα-helixtrans-62.2-36.9170.3-65.7-180-11.100110.8D114 V115 M120 E121D114-Q118 PolarHBondContact O-N 2.79Å; V115-Q118 PolarHBondContact O-N 2.92Å; Q118-M120 PolarHBondContact O-N 3.14Å; Q118-E121 WeakPolarHBondContact O-CB 3.4Å; Q118-E121 PolarHBondContact O-N 3Å
119A74.1Confident71.5Confident83 Ų8381.9 Ų81.969%0.68643%0.432SS*.THydrogen-bonded Turntrans-69.7-16.9172.200000114.4V115 R116 I117V115-A119 PolarHBondContact O-N 3.1Å; R116-A119 PolarHBondContact O-N 3.35Å; I117-A119 PolarHBondContact O-N 3.05Å
120M74.4Confident71.5Confident16 Ų1681.6 Ų81.68%0.07943%0.428CS..THydrogen-bonded Turntrans-80.5-21.4172.5-70.3173.3175.700112.2R116 I117 Q118 L122 R195 L196 L200 M212R116-M120 WeakPolarHBondContact O-CG 3.46Å; R116-M120 PolarHBondContact O-N 3.29Å; I117-M120 WeakPolarHBondContact O-CA 3.06Å; I117-M120 VanDerWaalsContact O-CB 3.3Å; I117-M120 WeakPolarHBondContact O-CB 3.38Å; I117-M120 PolarHBondContact O-N 3.42Å; Q118-M120 PolarHBondContact O-N 3.14Å; M120-L122 PolarHBondContact O-N 3.22Å; M120-R195 WeakPolarHBondContact CB-O 3.35Å; M120-R195 PolarHBondContact O-N 3.43Å; M120-R195 VanDerWaalsContact O-N 3.09Å; M120-L196 HydrophobicContact CE-CD1 4.21Å; M120-L196 HydrophobicContact CE-CG 4.39Å; M120-L196 HydrophobicContact SD-CD1 4.04Å; M120-L196 HydrophobicContact SD-CG 4.44Å; M120-L200 HydrophobicContact CE-CB 4.21Å; M120-L200 HydrophobicContact CE-CD1 4Å; M120-M212 HydrophobicContact CE-CG 4.41Å; M120-M212 HydrophobicContact CE-SD 3.58Å; M120-M212 VanDerWaalsContact CE-SD 3.58Å
121E70.6Confident71.7Confident34 Ų3480.5 Ų80.516%0.15942%0.423CS..BIsolated β-bridgetrans-71.4118.7169.4-171.5171.2-173.900108.4I117 Q118 D123 L194 K223I117-E121 PolarHBondContact O-N 3.3Å; Q118-E121 WeakPolarHBondContact O-CB 3.4Å; Q118-E121 PolarHBondContact O-N 3Å; E121-D123 PolarHBondContact O-N 3.4Å; E121-D123 VanDerWaalsContact O-N 3.07Å; E121-L194 HydrophobicContact CB-CD2 4.05Å; E121-L194 HydrophobicContact CG-CD2 4.12Å; E121-K223 WeakPolarHBondContact OE1-CD 3.31Å; E121-K223 IonicContact OE1-NZ 2.88Å; E121-K223 PolarHBondContact OE1-NZ 3.42Å; E121-K223 IonicContact OE2-NZ 3.45Å; E121-K223 PolarHBondContact OE2-NZ 3.04Å
122L65.8Low72.3Confident68 Ų6879.3 Ų79.336%0.35641%0.411SS..  trans-78.197172.8-77.1161.5000107.3M120 E124 F193 R195M120-L122 PolarHBondContact O-N 3.22Å; L122-E124 PolarHBondContact O-N 3.08Å; L122-F193 HydrophobicContact CD1-CD1 3.43Å; L122-F193 VanDerWaalsContact CD1-CD1 3.43Å; L122-F193 HydrophobicContact CD1-CE1 3.52Å; L122-R195 HydrophobicContact CD1-CB 3.69Å; L122-R195 HydrophobicContact CG-CB 4.38Å
123D56.5Low73.2Confident145 Ų14575.8 Ų75.878%0.77539%0.386SS*.SBendtrans-56.6-26.4172.7-73.4-30.8000111.4E121E121-D123 PolarHBondContact O-N 3.4Å; E121-D123 VanDerWaalsContact O-N 3.07Å
124E58.2Low74Confident167 Ų16774.2 Ų74.278%0.7838%0.381SS*.SBendtrans-98.3114174.7-63.8-168.1168.100111.8L122L122-E124 PolarHBondContact O-N 3.08Å
125R64Low74.6Confident188 Ų18874.2 Ų74.271%0.70939%0.389SS*.  trans-56125.6170.2-65.8178.6-178.9166.60.8109.2K127R125-K127 PolarHBondContact O-N 3.48Å
126P66.2Low75.2Confident24 Ų2469.4 Ų69.416%0.15636%0.359CS..  trans-57.4134.6172.122.6-30.4000108.9D128 R183 A186 A187P126-D128 VanDerWaalsContact C-N 3.26Å; P126-R183 HydrophobicContact CB-CB 3.9Å; P126-R183 HydrophobicContact CB-CG 4.32Å; P126-R183 HydrophobicContact CG-CB 4.11Å; P126-R183 VanDerWaalsContact CG-O 3.3Å; P126-R183 WeakPolarHBondContact CG-O 3.33Å; P126-A186 HydrophobicContact CG-CB 4.42Å; P126-A187 HydrophobicContact CG-CB 4.3Å; P126-A187 WeakPolarHBondContact O-CB 3.22Å
127K72.1Confident75.9Confident198 Ų19871 Ų7186%0.86137%0.374SS*.  trans-894.3178.4-64.3179.8-177.4173.40112.5R125 S129R125-K127 PolarHBondContact O-N 3.48Å; K127-S129 PolarHBondContact O-N 3.35Å
128D76.7Confident76.7Confident52 Ų5273.9 Ų73.928%0.27840%0.399SS..  trans-69.3125.9-175.6-58.7-35.2000109.8P126 A184 A187P126-D128 VanDerWaalsContact C-N 3.26Å; D128-A184 HydrophobicContact CB-CB 4.41Å; D128-A184 WeakPolarHBondContact O-CA 3.34Å; D128-A187 WeakPolarHBondContact O-CB 3.47Å
129S82.6Confident77.7Confident36 Ų3670.4 Ų70.425%0.25238%0.382SS..  trans-103.4159.3178.866.80000110.7K127 S131 D132K127-S129 PolarHBondContact O-N 3.35Å; S129-S131 WeakPolarHBondContact CB-OG 3.43Å; S129-S131 PolarHBondContact O-N 3.3Å; S129-S131 PolarHBondContact OG-OG 3.37Å; S129-D132 PolarHBondContact N-OD2 3.49Å; S129-D132 WeakPolarHBondContact O-CB 3.19Å; S129-D132 PolarHBondContact O-N 2.88Å; S129-D132 VanDerWaalsContact OG-CG 3.24Å; S129-D132 PolarHBondContact OG-OD2 3.25Å
130Y85.1Confident78.5Confident36 Ų3667 Ų6714%0.14135%0.353CS..G310 helixtrans-61.1-25.7173-63-33.3000112.2D132 I133 I140 I144 A184 V185 Q188Y130-D132 PolarHBondContact O-N 3.33Å; Y130-I133 PolarHBondContact O-N 3.34Å; Y130-I133 VanDerWaalsContact O-N 3.09Å; Y130-I140 HydrophobicContact CD1-CG2 4.11Å; Y130-I140 HydrophobicContact CD2-CG2 4.1Å; Y130-I140 HydrophobicContact CE1-CG2 4.3Å; Y130-I140 HydrophobicContact CE2-CG2 4.25Å; Y130-I140 HydrophobicContact CG-CG2 4.09Å; Y130-I144 HydrophobicContact CD2-CD1 4.23Å; Y130-I144 HydrophobicContact CE2-CD1 3.5Å; Y130-I144 VanDerWaalsContact CE2-CD1 3.5Å; Y130-I144 HydrophobicContact CE2-CG1 3.93Å; Y130-A184 HydrophobicContact CD1-CB 3.89Å; Y130-A184 HydrophobicContact CE1-CB 4.01Å; Y130-V185 HydrophobicContact CE1-CG2 3.88Å; Y130-Q188 VanDerWaalsContact CD2-CD 3.45Å; Y130-Q188 HydrophobicContact CE2-CG 4.21Å; Y130-Q188 VanDerWaalsContact CZ-OE1 3.23Å; Y130-Q188 PolarHBondContact OH-OE1 3.14Å
131S85Confident79.3Confident79 Ų7971 Ų7155%0.55237%0.371SS*.G310 helixtrans-65-17.2173.936.30000114S129 I133 L313S129-S131 WeakPolarHBondContact CB-OG 3.43Å; S129-S131 PolarHBondContact O-N 3.3Å; S129-S131 PolarHBondContact OG-OG 3.37Å; S131-I133 VanDerWaalsContact C-N 3.33Å; S131-L313 WeakPolarHBondContact O-CD2 3.39Å
132D84.6Confident80.3Confident70 Ų7073 Ų7337%0.37438%0.38SS..G310 helixtrans-87.6-3.8176.1-57-47.6000112.6S129 Y130S129-D132 PolarHBondContact N-OD2 3.49Å; S129-D132 WeakPolarHBondContact O-CB 3.19Å; S129-D132 PolarHBondContact O-N 2.88Å; S129-D132 VanDerWaalsContact OG-CG 3.24Å; S129-D132 PolarHBondContact OG-OD2 3.25Å; Y130-D132 PolarHBondContact O-N 3.33Å
133I86.5Confident81.5Confident11 Ų1169.8 Ų69.86%0.05636%0.364CS..SBendtrans-107.2123.4-179.8-48.3-171.9000109.1Y130 S131 L136 I140 M180 L181 A184Y130-I133 PolarHBondContact O-N 3.34Å; Y130-I133 VanDerWaalsContact O-N 3.09Å; S131-I133 VanDerWaalsContact C-N 3.33Å; I133-L136 HydrophobicContact CG2-CB 4.32Å; I133-L136 HydrophobicContact CG2-CD1 4.12Å; I133-I140 HydrophobicContact CB-CD1 4.23Å; I133-I140 HydrophobicContact CG2-CD1 4.19Å; I133-M180 HydrophobicContact CB-CE 4.13Å; I133-M180 HydrophobicContact CD1-CE 4.33Å; I133-M180 HydrophobicContact CD1-CG 4.42Å; I133-M180 HydrophobicContact CG1-CE 3.67Å; I133-M180 HydrophobicContact CG1-CG 4.44Å; I133-M180 HydrophobicContact CG2-CE 4.05Å; I133-L181 HydrophobicContact CD1-CB 4.5Å; I133-L181 HydrophobicContact CD1-CD2 3.57Å; I133-L181 HydrophobicContact CD1-CG 3.98Å; I133-L181 HydrophobicContact CG2-CD2 4.08Å; I133-L181 HydrophobicContact CG2-CG 4.48Å; I133-A184 HydrophobicContact CD1-CB 3.71Å
134G84.9Confident83.1Confident6 Ų664.6 Ų64.66%0.06234%0.336CS..  trans-100.3129.8-178.600000113.1L136G134-L136 PolarHBondContact O-N 3.37Å
135G84.3Confident84.6Confident34 Ų3460.3 Ų60.335%0.35132%0.315SS..SBendtrans76.111.6162.100000117.1
136L87.7Confident85.8Confident15 Ų1551.5 Ų51.58%0.07928%0.283CS..  trans-111.235.4178.8-64.3174.8000111.8I133 G134 A138 Q139 I140 L181 I299I133-L136 HydrophobicContact CG2-CB 4.32Å; I133-L136 HydrophobicContact CG2-CD1 4.12Å; G134-L136 PolarHBondContact O-N 3.37Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 3.06Å; L136-Q139 HydrophobicContact CB-CB 4.47Å; L136-Q139 PolarHBondContact O-N 2.94Å; L136-Q139 PolarHBondContact O-OE1 3.11Å; L136-I140 WeakPolarHBondContact O-CB 3.46Å; L136-I140 WeakPolarHBondContact O-CD1 3.25Å; L136-I140 WeakPolarHBondContact O-CG1 3.1Å; L136-I140 PolarHBondContact O-N 3.43Å; L136-L181 HydrophobicContact CD1-CD1 3.83Å; L136-L181 HydrophobicContact CD1-CG 4.45Å; L136-I299 HydrophobicContact CD1-CG2 4.02Å; L136-I299 HydrophobicContact CD2-CG2 3.85Å
137D88.6Confident86.8Confident120 Ų12050.4 Ų50.464%0.64228%0.276SS*.Hα-helixtrans-62.2-39.9-170.5-59.7-48.1000112.5I140 Q141D137-I140 PolarHBondContact O-N 2.85Å; D137-Q141 PolarHBondContact O-N 3.23Å
138A91.1Very high87.5Confident64 Ų6442.1 Ų42.153%0.52924%0.242SC..Hα-helixtrans-64.4-45.3177.100000111.8L136 Q141 E142L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 3.06Å; A138-Q141 PolarHBondContact O-N 3.21Å; A138-E142 PolarHBondContact O-N 3.05Å
139Q91.9Very high88Confident32 Ų3242.2 Ų42.215%0.1524%0.242CC..Hα-helixtrans-67.7-37.3179.5-65.6787.500111.7L136 Q141 E142 L143 I297 E298 P300L136-Q139 HydrophobicContact CB-CB 4.47Å; L136-Q139 PolarHBondContact O-N 2.94Å; L136-Q139 PolarHBondContact O-OE1 3.11Å; Q139-Q141 VanDerWaalsContact C-N 3.35Å; Q139-E142 PolarHBondContact O-N 3.11Å; Q139-L143 VanDerWaalsContact O-CB 3.28Å; Q139-L143 WeakPolarHBondContact O-CB 3.32Å; Q139-L143 PolarHBondContact O-N 3.23Å; Q139-I297 HydrophobicContact CB-CG2 3.82Å; Q139-I297 HydrophobicContact CG-CG2 3.69Å; Q139-E298 WeakPolarHBondContact CG-O 3.08Å; Q139-E298 PolarHBondContact NE2-O 3.03Å; Q139-P300 VanDerWaalsContact NE2-CD 3.27Å
140I91.4Very high88.2Confident13 Ų1340.8 Ų40.87%0.06723%0.232CC..Hα-helixtrans-61.4-46.4174.1-70.9165.2000109.7Y130 I133 L136 D137 L143 I144 L181Y130-I140 HydrophobicContact CD1-CG2 4.11Å; Y130-I140 HydrophobicContact CD2-CG2 4.1Å; Y130-I140 HydrophobicContact CE1-CG2 4.3Å; Y130-I140 HydrophobicContact CE2-CG2 4.25Å; Y130-I140 HydrophobicContact CG-CG2 4.09Å; I133-I140 HydrophobicContact CB-CD1 4.23Å; I133-I140 HydrophobicContact CG2-CD1 4.19Å; L136-I140 WeakPolarHBondContact O-CB 3.46Å; L136-I140 WeakPolarHBondContact O-CD1 3.25Å; L136-I140 WeakPolarHBondContact O-CG1 3.1Å; L136-I140 PolarHBondContact O-N 3.43Å; D137-I140 PolarHBondContact O-N 2.85Å; I140-L143 PolarHBondContact O-N 3.28Å; I140-I144 HydrophobicContact CG2-CD1 3.61Å; I140-I144 HydrophobicContact CG2-CG1 4.27Å; I140-I144 WeakPolarHBondContact O-CB 3.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.3Å; I140-I144 PolarHBondContact O-N 2.9Å; I140-L181 HydrophobicContact CD1-CD2 4.19Å; I140-L181 HydrophobicContact CG1-CD2 3.47Å; I140-L181 VanDerWaalsContact CG1-CD2 3.47Å
141Q91.9Very high88.1Confident98 Ų9840.5 Ų40.546%0.45823%0.232SC..Hα-helixtrans-60.5-47.9178.5-177.161.324.300111.9D137 A138 Q139 L143 I144 E145D137-Q141 PolarHBondContact O-N 3.23Å; A138-Q141 PolarHBondContact O-N 3.21Å; Q139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-L143 VanDerWaalsContact C-N 3.28Å; Q141-L143 PolarHBondContact O-N 3.48Å; Q141-I144 PolarHBondContact O-N 2.95Å; Q141-E145 PolarHBondContact NE2-OE1 3.44Å; Q141-E145 WeakPolarHBondContact O-CG 3.45Å; Q141-E145 PolarHBondContact O-N 2.89Å
142E92Very high88.1Confident76 Ų7641 Ų4136%0.35523%0.232SC..Hα-helixtrans-60.3-37.8177.3-73.9-172.7-171.600112.8A138 Q139 E145 A146 I297A138-E142 PolarHBondContact O-N 3.05Å; Q139-E142 PolarHBondContact O-N 3.11Å; E142-E145 PolarHBondContact O-N 3.03Å; E142-A146 WeakPolarHBondContact O-CB 3.37Å; E142-A146 PolarHBondContact O-N 3.4Å; E142-I297 HydrophobicContact CB-CD1 3.89Å; E142-I297 HydrophobicContact CB-CG1 4.41Å
143L91Very high88.1Confident2 Ų243 Ų431%0.0124%0.237CC..Hα-helixtrans-72.2-38.8179.6-168.962.4000111.7Q139 I140 Q141 E145 A146 I147 V168 L170 L181 V185 I297Q139-L143 VanDerWaalsContact O-CB 3.28Å; Q139-L143 WeakPolarHBondContact O-CB 3.32Å; Q139-L143 PolarHBondContact O-N 3.23Å; I140-L143 PolarHBondContact O-N 3.28Å; Q141-L143 VanDerWaalsContact C-N 3.28Å; Q141-L143 PolarHBondContact O-N 3.48Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-A146 PolarHBondContact O-N 3.3Å; L143-I147 HydrophobicContact CD1-CD1 3.46Å; L143-I147 VanDerWaalsContact CD1-CD1 3.46Å; L143-I147 HydrophobicContact CD1-CG1 4.23Å; L143-I147 HydrophobicContact CG-CD1 4.09Å; L143-I147 WeakPolarHBondContact O-CB 3.46Å; L143-I147 PolarHBondContact O-N 2.93Å; L143-I147 VanDerWaalsContact O-N 3.07Å; L143-V168 HydrophobicContact CD1-CB 4.24Å; L143-V168 HydrophobicContact CD1-CG1 3.82Å; L143-V168 HydrophobicContact CD1-CG2 4.28Å; L143-L170 HydrophobicContact CD1-CD2 4.32Å; L143-L181 HydrophobicContact CD2-CB 4.4Å; L143-V185 HydrophobicContact CD2-CB 4.49Å; L143-V185 HydrophobicContact CD2-CG2 3.41Å; L143-V185 VanDerWaalsContact CD2-CG2 3.41Å; L143-V185 HydrophobicContact CG-CG2 3.78Å; L143-I297 HydrophobicContact CB-CD1 4.01Å; L143-I297 HydrophobicContact CD1-CD1 4.07Å
144I90.3Very high88.1Confident36 Ų3646.6 Ų46.619%0.18525%0.253CS..Iπ-helixtrans-60.3-44.6172-70.3166.9000110Y130 I140 Q141 A146 I147 V148 L149Y130-I144 HydrophobicContact CD2-CD1 4.23Å; Y130-I144 HydrophobicContact CE2-CD1 3.5Å; Y130-I144 VanDerWaalsContact CE2-CD1 3.5Å; Y130-I144 HydrophobicContact CE2-CG1 3.93Å; I140-I144 HydrophobicContact CG2-CD1 3.61Å; I140-I144 HydrophobicContact CG2-CG1 4.27Å; I140-I144 WeakPolarHBondContact O-CB 3.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.3Å; I140-I144 PolarHBondContact O-N 2.9Å; Q141-I144 PolarHBondContact O-N 2.95Å; I144-A146 VanDerWaalsContact C-N 3.34Å; I144-A146 PolarHBondContact O-N 3.17Å; I144-I147 PolarHBondContact O-N 2.92Å; I144-V148 HydrophobicContact CB-CG2 4.29Å; I144-V148 HydrophobicContact CG1-CG2 4.31Å; I144-V148 HydrophobicContact CG2-CB 3.96Å; I144-V148 HydrophobicContact CG2-CG2 4.14Å; I144-V148 WeakPolarHBondContact O-CA 3.41Å; I144-V148 VanDerWaalsContact O-CB 3.27Å; I144-V148 WeakPolarHBondContact O-CB 3.48Å; I144-V148 PolarHBondContact O-N 3.3Å; I144-L149 PolarHBondContact O-N 3.25Å; I144-L149 VanDerWaalsContact O-N 3.08Å
145E89.1Confident88.2Confident76 Ų7653 Ų5336%0.35528%0.281SS..Iπ-helixtrans-63.9-39.2179.5-72.7173.6-171.700112.8Q141 E142 L143 L149 P150Q141-E145 PolarHBondContact NE2-OE1 3.44Å; Q141-E145 WeakPolarHBondContact O-CG 3.45Å; Q141-E145 PolarHBondContact O-N 2.89Å; E142-E145 PolarHBondContact O-N 3.03Å; L143-E145 VanDerWaalsContact C-N 3.32Å; E145-L149 HydrophobicContact CB-CD1 3.98Å; E145-L149 HydrophobicContact CG-CD1 3.78Å; E145-P150 WeakPolarHBondContact O-CD 3.37Å
146A88.3Confident88.4Confident4 Ų455.4 Ų55.43%0.03329%0.286CS..Iπ-helixtrans-77-28.7-17800000113.9E142 L143 I144 S165 V168 R272 R295E142-A146 WeakPolarHBondContact O-CB 3.37Å; E142-A146 PolarHBondContact O-N 3.4Å; L143-A146 PolarHBondContact O-N 3.3Å; I144-A146 VanDerWaalsContact C-N 3.34Å; I144-A146 PolarHBondContact O-N 3.17Å; A146-S165 PolarHBondContact O-OG 2.98Å; A146-V168 HydrophobicContact CB-CG2 3.54Å; A146-R272 PolarHBondContact O-NH1 3.29Å; A146-R272 VanDerWaalsContact O-NH1 3.1Å; A146-R295 HydrophobicContact CB-CG 4.12Å
147I87.6Confident88.4Confident1 Ų156.3 Ų56.31%0.00529%0.289CS..Iπ-helixtrans-117.4-49.7-170-56.3-178000112.4L143 I144 P150 I151 V168 V185 I227 R272 I274L143-I147 HydrophobicContact CD1-CD1 3.46Å; L143-I147 VanDerWaalsContact CD1-CD1 3.46Å; L143-I147 HydrophobicContact CD1-CG1 4.23Å; L143-I147 HydrophobicContact CG-CD1 4.09Å; L143-I147 WeakPolarHBondContact O-CB 3.46Å; L143-I147 PolarHBondContact O-N 2.93Å; L143-I147 VanDerWaalsContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 2.92Å; I147-P150 WeakPolarHBondContact O-CD 3.49Å; I147-I151 HydrophobicContact CG2-CD1 4.32Å; I147-I151 WeakPolarHBondContact O-CD1 3.47Å; I147-I151 WeakPolarHBondContact O-CG1 3.27Å; I147-V168 HydrophobicContact CD1-CG2 4.19Å; I147-V168 HydrophobicContact CG1-CG2 4.04Å; I147-V185 HydrophobicContact CB-CG1 4.33Å; I147-V185 HydrophobicContact CD1-CG1 4.33Å; I147-V185 HydrophobicContact CG2-CG1 4.03Å; I147-I227 HydrophobicContact CG2-CD1 3.83Å; I147-I227 HydrophobicContact CG2-CG1 4.3Å; I147-R272 HydrophobicContact CG2-CB 4.34Å; I147-R272 HydrophobicContact CG2-CG 4.33Å; I147-I274 HydrophobicContact CD1-CD1 3.36Å; I147-I274 HydrophobicContact CD1-CG1 3.43Å; I147-I274 VanDerWaalsContact CD1-CG1 3.43Å
148V87Confident88.2Confident23 Ų2356.1 Ų56.114%0.13929%0.288CS..Iπ-helixtrans-77.9-43.8-172.9-174.90000111I144 I151 T152 V185 T189I144-V148 HydrophobicContact CB-CG2 4.29Å; I144-V148 HydrophobicContact CG1-CG2 4.31Å; I144-V148 HydrophobicContact CG2-CB 3.96Å; I144-V148 HydrophobicContact CG2-CG2 4.14Å; I144-V148 WeakPolarHBondContact O-CA 3.41Å; I144-V148 VanDerWaalsContact O-CB 3.27Å; I144-V148 WeakPolarHBondContact O-CB 3.48Å; I144-V148 PolarHBondContact O-N 3.3Å; V148-I151 PolarHBondContact O-N 2.66Å; V148-T152 HydrophobicContact CG1-CG2 3.99Å; V148-T152 WeakPolarHBondContact O-CB 3.46Å; V148-T152 WeakPolarHBondContact O-CG2 3.41Å; V148-T152 PolarHBondContact O-N 3.1Å; V148-T152 PolarHBondContact O-OG1 3.38Å; V148-V185 HydrophobicContact CG2-CG1 4.32Å; V148-T189 HydrophobicContact CB-CG2 4.33Å; V148-T189 HydrophobicContact CG1-CG2 4.36Å; V148-T189 HydrophobicContact CG2-CG2 3.68Å
149L87.4Confident88.2Confident54 Ų5460.7 Ų60.728%0.28330%0.296SS..Hα-helixtrans-59.5-43.9-179.3-67.8-179.1000112.7I144 E145 I151 T152 K153 F157I144-L149 PolarHBondContact O-N 3.25Å; I144-L149 VanDerWaalsContact O-N 3.08Å; E145-L149 HydrophobicContact CB-CD1 3.98Å; E145-L149 HydrophobicContact CG-CD1 3.78Å; L149-I151 VanDerWaalsContact C-N 3.31Å; L149-I151 PolarHBondContact O-N 2.69Å; L149-T152 PolarHBondContact O-N 2.94Å; L149-T152 PolarHBondContact O-OG1 2.88Å; L149-K153 HydrophobicContact CD2-CD 4.14Å; L149-K153 WeakPolarHBondContact O-CA 3.42Å; L149-K153 WeakPolarHBondContact O-CB 3.5Å; L149-K153 PolarHBondContact O-N 2.87Å; L149-F157 HydrophobicContact CB-CE2 4.17Å; L149-F157 HydrophobicContact CB-CZ 4.36Å
150P85.9Confident88.2Confident6 Ų665.2 Ų65.24%0.03932%0.321CS..Hα-helixtrans-68.5-29.1179.9-25.939.8000113.7E145 I147 K154 F157 P164 R272E145-P150 WeakPolarHBondContact O-CD 3.37Å; I147-P150 WeakPolarHBondContact O-CD 3.49Å; P150-K154 WeakPolarHBondContact O-CG 3.39Å; P150-F157 HydrophobicContact CB-CE2 4.15Å; P150-F157 HydrophobicContact CB-CZ 4.32Å; P150-F157 HydrophobicContact CG-CE1 4.3Å; P150-F157 HydrophobicContact CG-CE2 3.92Å; P150-F157 HydrophobicContact CG-CZ 3.67Å; P150-P164 HydrophobicContact CB-CB 3.81Å; P150-P164 HydrophobicContact CG-CB 3.91Å; P150-R272 VanDerWaalsContact CB-NH1 3.31Å; P150-R272 VanDerWaalsContact CG-NH1 3.26Å
151I83.6Confident87.9Confident31 Ų3167.8 Ų67.816%0.15935%0.35CS..Hα-helixtrans-74.6-44176.2-64.6170.6000110.4I147 V148 L149 T189 P225 R272I147-I151 HydrophobicContact CG2-CD1 4.32Å; I147-I151 WeakPolarHBondContact O-CD1 3.47Å; I147-I151 WeakPolarHBondContact O-CG1 3.27Å; V148-I151 PolarHBondContact O-N 2.66Å; L149-I151 VanDerWaalsContact C-N 3.31Å; L149-I151 PolarHBondContact O-N 2.69Å; I151-T189 HydrophobicContact CD1-CG2 4.44Å; I151-P225 HydrophobicContact CG2-CB 4.45Å; I151-R272 HydrophobicContact CD1-CG 4.42Å
152T84.9Confident87.7Confident90 Ų9067.1 Ų67.155%0.55235%0.348SS*.Hα-helixtrans-83-33.8-173.653.80000113.8V148 L149V148-T152 HydrophobicContact CG1-CG2 3.99Å; V148-T152 WeakPolarHBondContact O-CB 3.46Å; V148-T152 WeakPolarHBondContact O-CG2 3.41Å; V148-T152 PolarHBondContact O-N 3.1Å; V148-T152 PolarHBondContact O-OG1 3.38Å; L149-T152 PolarHBondContact O-N 2.94Å; L149-T152 PolarHBondContact O-OG1 2.88Å
153K85.6Confident87.2Confident110 Ų11069.2 Ų69.248%0.47836%0.361SS..  trans-127.647.9-169.4-65.9177.1175-178.90112.9L149 E155 L156 F157L149-K153 HydrophobicContact CD2-CD 4.14Å; L149-K153 WeakPolarHBondContact O-CA 3.42Å; L149-K153 WeakPolarHBondContact O-CB 3.5Å; L149-K153 PolarHBondContact O-N 2.87Å; K153-E155 PolarHBondContact O-N 3.28Å; K153-E155 VanDerWaalsContact O-N 3.15Å; K153-L156 HydrophobicContact CB-CB 4.48Å; K153-L156 HydrophobicContact CB-CD1 4.01Å; K153-L156 HydrophobicContact CB-CG 4.26Å; K153-L156 HydrophobicContact CD-CD1 3.72Å; K153-L156 HydrophobicContact CG-CD1 4.31Å; K153-L156 PolarHBondContact O-N 2.93Å; K153-L156 VanDerWaalsContact O-N 3.07Å; K153-F157 WeakPolarHBondContact O-CD2 3.45Å
154K84.7Confident86.9Confident87 Ų8770 Ų7038%0.37837%0.366SS..Hα-helixtrans-51.6-37.6177.5-64.8-178.1-168.8-177.30113.7P150 L156 F157 N158 D270P150-K154 WeakPolarHBondContact O-CG 3.39Å; K154-L156 VanDerWaalsContact C-N 3.29Å; K154-L156 PolarHBondContact O-N 3.32Å; K154-F157 PolarHBondContact O-N 3.43Å; K154-N158 PolarHBondContact O-N 2.89Å; K154-N158 VanDerWaalsContact O-N 3.1Å; K154-D270 WeakPolarHBondContact CE-OD1 3.31Å; K154-D270 IonicContact NZ-OD1 2.74Å; K154-D270 PolarHBondContact NZ-OD1 3Å; K154-D270 IonicContact NZ-OD2 3.43Å; K154-D270 PolarHBondContact NZ-OD2 3.45Å
155E87.5Confident86.5Confident140 Ų14069.3 Ų69.365%0.65436%0.364SS*.Hα-helixtrans-61.1-35-179.8-63.9-175.8-173.200113.4K153 N158 K159K153-E155 PolarHBondContact O-N 3.28Å; K153-E155 VanDerWaalsContact O-N 3.15Å; E155-N158 PolarHBondContact O-N 3.36Å; E155-K159 WeakPolarHBondContact O-CB 3.11Å; E155-K159 VanDerWaalsContact O-CG 3.29Å; E155-K159 WeakPolarHBondContact O-CG 3Å; E155-K159 PolarHBondContact O-N 3.36Å
156L89.4Confident86.2Confident86 Ų8667.9 Ų67.945%0.4536%0.357SS..Hα-helixtrans-68.3-39.4178.4-67.1-177.4000111.2K153 K154 K159 L160K153-L156 HydrophobicContact CB-CB 4.48Å; K153-L156 HydrophobicContact CB-CD1 4.01Å; K153-L156 HydrophobicContact CB-CG 4.26Å; K153-L156 HydrophobicContact CD-CD1 3.72Å; K153-L156 HydrophobicContact CG-CD1 4.31Å; K153-L156 PolarHBondContact O-N 2.93Å; K153-L156 VanDerWaalsContact O-N 3.07Å; K154-L156 VanDerWaalsContact C-N 3.29Å; K154-L156 PolarHBondContact O-N 3.32Å; L156-K159 PolarHBondContact O-N 3.16Å; L156-L160 WeakPolarHBondContact O-CB 3.3Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.3Å; L156-L160 PolarHBondContact O-N 3.04Å
157F86.6Confident86.2Confident33 Ų3367.8 Ų67.815%0.14536%0.356CS..Hα-helixtrans-63.1-43.4175.2-74.3-92.6000111.1L149 P150 K153 K154 L160 G161 I162 P164L149-F157 HydrophobicContact CB-CE2 4.17Å; L149-F157 HydrophobicContact CB-CZ 4.36Å; P150-F157 HydrophobicContact CB-CE2 4.15Å; P150-F157 HydrophobicContact CB-CZ 4.32Å; P150-F157 HydrophobicContact CG-CE1 4.3Å; P150-F157 HydrophobicContact CG-CE2 3.92Å; P150-F157 HydrophobicContact CG-CZ 3.67Å; K153-F157 WeakPolarHBondContact O-CD2 3.45Å; K154-F157 PolarHBondContact O-N 3.43Å; F157-L160 PolarHBondContact O-N 2.99Å; F157-G161 PolarHBondContact O-N 3.31Å; F157-I162 HydrophobicContact CB-CG1 4.39Å; F157-I162 HydrophobicContact CD1-CD1 3.57Å; F157-I162 HydrophobicContact CD1-CG1 3.63Å; F157-I162 HydrophobicContact CE1-CD1 3.7Å; F157-I162 HydrophobicContact CE1-CG1 4.26Å; F157-I162 HydrophobicContact CG-CD1 4.41Å; F157-I162 HydrophobicContact CG-CG1 4.34Å; F157-I162 PolarHBondContact O-N 3.33Å; F157-P164 HydrophobicContact CD1-CB 3.83Å; F157-P164 HydrophobicContact CE1-CB 3.89Å; F157-P164 HydrophobicContact CG-CB 4.48Å
158N85.5Confident86.4Confident116 Ų11667.8 Ų67.862%0.6236%0.357SS*.Hα-helixtrans-65.6-40.5177.6-69.2-12.7000112.7K154 E155 G161K154-N158 PolarHBondContact O-N 2.89Å; K154-N158 VanDerWaalsContact O-N 3.1Å; E155-N158 PolarHBondContact O-N 3.36Å; N158-G161 PolarHBondContact O-N 3.09Å
159K91.1Very high86.7Confident161 Ų16166.7 Ų66.770%0.735%0.35SS*.Hα-helixtrans-66.4-38177.2-76.3173.1-179.5171.60112.5E155 L156 G161E155-K159 WeakPolarHBondContact O-CB 3.11Å; E155-K159 VanDerWaalsContact O-CG 3.29Å; E155-K159 WeakPolarHBondContact O-CG 3Å; E155-K159 PolarHBondContact O-N 3.36Å; L156-K159 PolarHBondContact O-N 3.16Å; K159-G161 VanDerWaalsContact C-N 3.34Å
160L91.1Very high87Confident127 Ų12764.2 Ų64.267%0.66534%0.337SS*.Hα-helixtrans-79.3-17177.6-72.6173.1000113L156 F157 I162L156-L160 WeakPolarHBondContact O-CB 3.3Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.3Å; L156-L160 PolarHBondContact O-N 3.04Å; F157-L160 PolarHBondContact O-N 2.99Å; L160-I162 HydrophobicContact CB-CD1 4.31Å; L160-I162 HydrophobicContact CB-CG1 3.8Å; L160-I162 HydrophobicContact CB-CG2 4.29Å; L160-I162 HydrophobicContact CD1-CD1 3.96Å; L160-I162 HydrophobicContact CD1-CG1 4.36Å; L160-I162 PolarHBondContact O-N 3.44Å
161G86.1Confident87.4Confident66 Ų6666.8 Ų66.868%0.6835%0.346SS*.THydrogen-bonded Turntrans68.821.7-175.300000113.5F157 N158 K159F157-G161 PolarHBondContact O-N 3.31Å; N158-G161 PolarHBondContact O-N 3.09Å; K159-G161 VanDerWaalsContact C-N 3.34Å
162I86.4Confident87.7Confident84 Ų8465.9 Ų65.943%0.43135%0.345SS..PPolyproline II helixtrans-95.8138-179.255.4165.5000111.3F157 L160F157-I162 HydrophobicContact CB-CG1 4.39Å; F157-I162 HydrophobicContact CD1-CD1 3.57Å; F157-I162 HydrophobicContact CD1-CG1 3.63Å; F157-I162 HydrophobicContact CE1-CD1 3.7Å; F157-I162 HydrophobicContact CE1-CG1 4.26Å; F157-I162 HydrophobicContact CG-CD1 4.41Å; F157-I162 HydrophobicContact CG-CG1 4.34Å; F157-I162 PolarHBondContact O-N 3.33Å; L160-I162 HydrophobicContact CB-CD1 4.31Å; L160-I162 HydrophobicContact CB-CG1 3.8Å; L160-I162 HydrophobicContact CB-CG2 4.29Å; L160-I162 HydrophobicContact CD1-CD1 3.96Å; L160-I162 HydrophobicContact CD1-CG1 4.36Å; L160-I162 PolarHBondContact O-N 3.44Å
163I82.4Confident88Confident121 Ų12163.8 Ų63.862%0.62133%0.333SS*.PPolyproline II helixtrans-80122.9174.9-65174.5000108.3V267I163-V267 HydrophobicContact CB-CG1 4.12Å; I163-V267 HydrophobicContact CG1-CG1 4.01Å; I163-V267 HydrophobicContact CG2-CG1 3.44Å; I163-V267 VanDerWaalsContact CG2-CG1 3.44Å
164P84.3Confident88.1Confident18 Ų1862.2 Ų62.212%0.11733%0.334CS..PPolyproline II helixtrans-69.3153.3177.530.5-36000110.8P150 F157 K166 R272P150-P164 HydrophobicContact CB-CB 3.81Å; P150-P164 HydrophobicContact CG-CB 3.91Å; F157-P164 HydrophobicContact CD1-CB 3.83Å; F157-P164 HydrophobicContact CE1-CB 3.89Å; F157-P164 HydrophobicContact CG-CB 4.48Å; P164-K166 PolarHBondContact O-N 2.65Å; P164-R272 VanDerWaalsContact CB-NH2 3.33Å
165S82.8Confident88.2Confident21 Ų2159.7 Ų59.715%0.14733%0.333CS..PPolyproline II helixtrans-63.2133.1179.352.30000111.7A146 R272 D294A146-S165 PolarHBondContact O-OG 2.98Å; S165-R272 PolarHBondContact O-NH1 3.09Å; S165-D294 WeakPolarHBondContact CA-OD2 3.49Å
166K82.8Confident88.2Confident46 Ų4653.8 Ų53.820%0.231%0.306CS..SBendtrans-77.5-38.5-179.6-65.9-169.8-170.7171.40112.6P164 L262 L273 G291 D294P164-K166 PolarHBondContact O-N 2.65Å; K166-L262 PolarHBondContact NZ-O 3.03Å; K166-L273 PolarHBondContact O-N 3.3Å; K166-G291 WeakPolarHBondContact CD-O 3.48Å; K166-G291 PolarHBondContact NZ-O 2.8Å; K166-D294 PolarHBondContact N-OD2 2.99Å
167G88.5Confident88.1Confident2 Ų250.7 Ų50.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-146.2154.7-175.900000114.2L273 R292 D294 R295G167-L273 CarbonylContact C-O 3.44Å; G167-L273 WeakPolarHBondContact CA-O 3.24Å; G167-R292 PolarHBondContact N-O 3.08Å; G167-D294 PolarHBondContact O-N 2.97Å; G167-R295 PolarHBondContact O-N 3.04Å
168V91.7Very high88.2Confident2 Ų249.6 Ų49.61%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-122.3132.1177.2-1730000109.5L143 A146 I147 L170 L273 I274 C275 R295 I297L143-V168 HydrophobicContact CD1-CB 4.24Å; L143-V168 HydrophobicContact CD1-CG1 3.82Å; L143-V168 HydrophobicContact CD1-CG2 4.28Å; A146-V168 HydrophobicContact CB-CG2 3.54Å; I147-V168 HydrophobicContact CD1-CG2 4.19Å; I147-V168 HydrophobicContact CG1-CG2 4.04Å; V168-L170 HydrophobicContact CG1-CD2 4.22Å; V168-L273 PolarHBondContact N-O 2.7Å; V168-I274 CarbonylContact O-C 3.49Å; V168-I274 WeakPolarHBondContact O-CA 3.38Å; V168-C275 PolarHBondContact O-N 3.07Å; V168-R295 CarbonylContact C-O 3.56Å; V168-R295 WeakPolarHBondContact CA-O 3.38Å; V168-R295 HydrophobicContact CG1-CB 4.23Å; V168-R295 HydrophobicContact CG2-CB 4.22Å; V168-I297 HydrophobicContact CG1-CD1 3.53Å; V168-I297 HydrophobicContact CG1-CG1 3.81Å
169L92.5Very high88.3Confident0 Ų045.9 Ų45.90%027%0.272CS..EExtended strand (participates in β ladder)trans-106.1118.5172.5177.870.6000109.9V233 C275 T277 L283 L288 I293 R295 K296 I297L169-V233 HydrophobicContact CD1-CG1 4.31Å; L169-C275 CarbonylContact C-O 3.56Å; L169-C275 WeakPolarHBondContact CA-O 3.39Å; L169-C275 HydrophobicContact CD1-CB 3.7Å; L169-T277 HydrophobicContact CD1-CG2 3.9Å; L169-T277 HydrophobicContact CG-CG2 4.43Å; L169-L283 HydrophobicContact CD1-CD2 4.48Å; L169-L283 HydrophobicContact CD2-CD2 3.97Å; L169-L288 HydrophobicContact CD2-CD2 3.59Å; L169-I293 HydrophobicContact CB-CD1 4.46Å; L169-I293 HydrophobicContact CB-CG2 3.42Å; L169-I293 VanDerWaalsContact CB-CG2 3.42Å; L169-R295 PolarHBondContact N-O 3.47Å; L169-K296 CarbonylContact O-C 3.57Å; L169-K296 WeakPolarHBondContact O-CA 3.39Å; L169-I297 PolarHBondContact O-N 3.24Å
170L93.8Very high88.1Confident1 Ų141.2 Ų41.21%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-92.9122.6171-55.3-179.4000109L143 V168 K178 I274 C275 A276 T277 I297 I299L143-L170 HydrophobicContact CD1-CD2 4.32Å; V168-L170 HydrophobicContact CG1-CD2 4.22Å; L170-K178 HydrophobicContact CB-CB 4.46Å; L170-K178 HydrophobicContact CB-CG 4.28Å; L170-K178 HydrophobicContact CD1-CB 4.47Å; L170-I274 HydrophobicContact CD1-CG2 3.88Å; L170-I274 HydrophobicContact CG-CG2 4.12Å; L170-C275 PolarHBondContact N-O 3.49Å; L170-A276 WeakPolarHBondContact O-CA 3.36Å; L170-T277 PolarHBondContact O-N 3.46Å; L170-I297 HydrophobicContact CD2-CB 3.89Å; L170-I297 HydrophobicContact CD2-CD1 4.14Å; L170-I297 HydrophobicContact CD2-CG1 4.41Å; L170-I297 HydrophobicContact CD2-CG2 4.36Å; L170-I299 HydrophobicContact CB-CD1 4.5Å
171Y93.3Very high88Confident60 Ų6035.3 Ų35.324%0.23522%0.222CC..EExtended strand (participates in β ladder)trans-135.8161.3178.468.1-85.8000113.3K178 T277 V280 K296 I297 E298 I299Y171-K178 VanDerWaalsContact C-CE 3.46Å; Y171-T277 WeakPolarHBondContact CA-O 3.4Å; Y171-V280 HydrophobicContact CD1-CG2 4.44Å; Y171-V280 HydrophobicContact CD2-CG2 3.39Å; Y171-V280 HydrophobicContact CE2-CG2 4.28Å; Y171-V280 HydrophobicContact CG-CG2 3.46Å; Y171-V280 VanDerWaalsContact CG-CG2 3.46Å; Y171-K296 HydrophobicContact CE1-CB 3.89Å; Y171-I297 VanDerWaalsContact CD1-O 3.31Å; Y171-I297 WeakPolarHBondContact CD1-O 3.46Å; Y171-I297 PolarHBondContact N-O 2.93Å; Y171-E298 HydrophobicContact CD2-CB 4.4Å; Y171-E298 HydrophobicContact CD2-CG 4.15Å; Y171-E298 HydrophobicContact CE1-CB 4.11Å; Y171-E298 HydrophobicContact CE2-CB 3.7Å; Y171-E298 HydrophobicContact CE2-CG 3.6Å; Y171-I299 PolarHBondContact O-N 3.49Å
172G91.2Very high88.1Confident13 Ų1332.1 Ų32.113%0.13419%0.19CC..SBendtrans147-169.7-176.600000113.2K178 N278G172-K178 VanDerWaalsContact C-NZ 3.27Å; G172-K178 VanDerWaalsContact N-NZ 3.17Å; G172-K178 PolarHBondContact O-NZ 3.16Å; G172-N278 WeakPolarHBondContact O-CA 3.44Å
173P90.4Very high88Confident45 Ų4531.9 Ų31.929%0.29218%0.183SC..SBendtrans-68.5158.8174.718.4-19000112.4T176 I299 M301P173-T176 HydrophobicContact CB-CG2 4.43Å; P173-T176 HydrophobicContact CG-CG2 3.72Å; P173-T176 PolarHBondContact O-OG1 3.29Å; P173-T176 VanDerWaalsContact O-OG1 3.1Å; P173-I299 WeakPolarHBondContact CD-O 3.32Å; P173-M301 HydrophobicContact CB-SD 4.13Å; P173-M301 HydrophobicContact CG-CG 3.81Å; P173-M301 HydrophobicContact CG-SD 3.55Å; P173-M301 VanDerWaalsContact CG-SD 3.55Å
174P89.1Confident88.2Confident78 Ų7826.1 Ų26.151%0.50615%0.154SC..THydrogen-bonded Turntrans-68.2150.4172.929.9-34.5000110.9N337P174-N337 PolarHBondContact O-ND2 2.82Å
175G86Confident88.4Confident34 Ų3425.3 Ų25.335%0.35115%0.149SC..THydrogen-bonded Turntrans81.17.3177.100000115.8G338 A339G175-G338 WeakPolarHBondContact O-CA 3.38Å; G175-G338 PolarHBondContact O-N 2.93Å; G175-G338 VanDerWaalsContact O-N 3.11Å; G175-A339 PolarHBondContact O-N 3.15Å; G175-A339 VanDerWaalsContact O-N 3.11Å
176T87.9Confident88.4Confident15 Ų1524.5 Ų24.59%0.09214%0.144CC..SBendtrans-84.5-4.6173.6550000114.5P173 I299 M301P173-T176 HydrophobicContact CB-CG2 4.43Å; P173-T176 HydrophobicContact CG-CG2 3.72Å; P173-T176 PolarHBondContact O-OG1 3.29Å; P173-T176 VanDerWaalsContact O-OG1 3.1Å; T176-I299 HydrophobicContact CG2-CG2 4.38Å; T176-I299 WeakPolarHBondContact OG1-CG2 3.43Å; T176-M301 HydrophobicContact CG2-SD 4.28Å
177G85.9Confident88.5Confident22 Ų2223.8 Ų23.823%0.22715%0.146CC..  trans94.521.1173.700000116T179 M180 L181G177-T179 VanDerWaalsContact C-N 3.32Å; G177-T179 PolarHBondContact O-N 3.17Å; G177-M180 WeakPolarHBondContact O-CA 3.35Å; G177-M180 WeakPolarHBondContact O-CB 3.34Å; G177-M180 PolarHBondContact O-N 3.38Å; G177-L181 PolarHBondContact O-N 3.05Å
178K89.9Confident88.2Confident9 Ų928.2 Ų28.24%0.03917%0.166CC..Hα-helixtrans-48.9-49.3174.2-65.1171.1-163.2166.70113.3L170 Y171 G172 M180 L181 A182 A276 T277 N278 I299L170-K178 HydrophobicContact CB-CB 4.46Å; L170-K178 HydrophobicContact CB-CG 4.28Å; L170-K178 HydrophobicContact CD1-CB 4.47Å; Y171-K178 VanDerWaalsContact C-CE 3.46Å; G172-K178 VanDerWaalsContact C-NZ 3.27Å; G172-K178 VanDerWaalsContact N-NZ 3.17Å; G172-K178 PolarHBondContact O-NZ 3.16Å; K178-M180 VanDerWaalsContact C-N 3.3Å; K178-M180 PolarHBondContact O-N 3.32Å; K178-L181 PolarHBondContact O-N 2.78Å; K178-A182 PolarHBondContact O-N 3.38Å; K178-A182 VanDerWaalsContact O-N 3.12Å; K178-A276 HydrophobicContact CB-CB 4.28Å; K178-A276 HydrophobicContact CD-CB 4.44Å; K178-T277 PolarHBondContact NZ-O 3.33Å; K178-N278 PolarHBondContact NZ-OD1 3.27Å; K178-I299 HydrophobicContact CB-CD1 4.25Å; K178-I299 HydrophobicContact CG-CD1 3.49Å; K178-I299 VanDerWaalsContact CG-CD1 3.49Å; K178-I299 HydrophobicContact CG-CG1 4.17Å
179T86.5Confident87.7Confident38 Ų3829.2 Ų29.223%0.23317%0.173CC..Hα-helixtrans-65.5-34.1178.7-45.30000111.8G177 R183 F229 D231G177-T179 VanDerWaalsContact C-N 3.32Å; G177-T179 PolarHBondContact O-N 3.17Å; T179-R183 WeakPolarHBondContact O-CG 3.46Å; T179-R183 PolarHBondContact O-N 3.34Å; T179-F229 HydrophobicContact CG2-CE1 3.93Å; T179-F229 HydrophobicContact CG2-CZ 4.21Å; T179-D231 PolarHBondContact OG1-OD2 2.84Å
180M87.7Confident87.1Confident64 Ų6437.2 Ų37.232%0.31521%0.207SC..Hα-helixtrans-71.1-41.3177.7-170.5173.872.300111.5I133 G177 K178 R183 A184I133-M180 HydrophobicContact CB-CE 4.13Å; I133-M180 HydrophobicContact CD1-CE 4.33Å; I133-M180 HydrophobicContact CD1-CG 4.42Å; I133-M180 HydrophobicContact CG1-CE 3.67Å; I133-M180 HydrophobicContact CG1-CG 4.44Å; I133-M180 HydrophobicContact CG2-CE 4.05Å; G177-M180 WeakPolarHBondContact O-CA 3.35Å; G177-M180 WeakPolarHBondContact O-CB 3.34Å; G177-M180 PolarHBondContact O-N 3.38Å; K178-M180 VanDerWaalsContact C-N 3.3Å; K178-M180 PolarHBondContact O-N 3.32Å; M180-R183 PolarHBondContact O-N 3.02Å; M180-A184 WeakPolarHBondContact O-CB 3.5Å; M180-A184 PolarHBondContact O-N 3.3Å
181L89.4Confident86.5Confident2 Ų237.8 Ų37.81%0.0121%0.212CC..Hα-helixtrans-58.6-47.9173.6-81.2165.6000112I133 L136 I140 L143 G177 K178 R183 A184 V185 I299I133-L181 HydrophobicContact CD1-CB 4.5Å; I133-L181 HydrophobicContact CD1-CD2 3.57Å; I133-L181 HydrophobicContact CD1-CG 3.98Å; I133-L181 HydrophobicContact CG2-CD2 4.08Å; I133-L181 HydrophobicContact CG2-CG 4.48Å; L136-L181 HydrophobicContact CD1-CD1 3.83Å; L136-L181 HydrophobicContact CD1-CG 4.45Å; I140-L181 HydrophobicContact CD1-CD2 4.19Å; I140-L181 HydrophobicContact CG1-CD2 3.47Å; I140-L181 VanDerWaalsContact CG1-CD2 3.47Å; L143-L181 HydrophobicContact CD2-CB 4.4Å; G177-L181 PolarHBondContact O-N 3.05Å; K178-L181 PolarHBondContact O-N 2.78Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.49Å; L181-A184 PolarHBondContact O-N 3.02Å; L181-V185 WeakPolarHBondContact O-CG2 3.41Å; L181-V185 PolarHBondContact O-N 3.33Å; L181-I299 HydrophobicContact CD1-CD1 3.38Å
182A87.1Confident86.1Confident0 Ų036.7 Ų36.70%021%0.211CC..Hα-helixtrans-61.1-40.2178.700000112.4K178 A186 F229 I274K178-A182 PolarHBondContact O-N 3.38Å; K178-A182 VanDerWaalsContact O-N 3.12Å; A182-A186 PolarHBondContact O-N 2.86Å; A182-F229 HydrophobicContact CB-CD2 3.32Å; A182-F229 HydrophobicContact CB-CE2 3.33Å; A182-F229 HydrophobicContact CB-CG 3.96Å; A182-F229 HydrophobicContact CB-CZ 3.98Å; A182-I274 HydrophobicContact CB-CD1 4.29Å; A182-I274 HydrophobicContact CB-CG2 4.29Å
183R85.3Confident85.9Confident78 Ų7836.6 Ų36.629%0.29421%0.207SC..Hα-helixtrans-65.8-42.6175.1-74.4179.5-171.41783.5112.6P126 T179 M180 L181 V185 A186 A187 F193P126-R183 HydrophobicContact CB-CB 3.9Å; P126-R183 HydrophobicContact CB-CG 4.32Å; P126-R183 HydrophobicContact CG-CB 4.11Å; P126-R183 VanDerWaalsContact CG-O 3.3Å; P126-R183 WeakPolarHBondContact CG-O 3.33Å; T179-R183 WeakPolarHBondContact O-CG 3.46Å; T179-R183 PolarHBondContact O-N 3.34Å; M180-R183 PolarHBondContact O-N 3.02Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.49Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 3.38Å; R183-A186 PolarHBondContact O-N 2.79Å; R183-A187 PolarHBondContact O-N 3.19Å; R183-F193 HydrophobicContact CG-CE1 4.43Å; R183-F193 HydrophobicContact CG-CZ 4.48Å
184A86.9Confident85.9Confident0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-64.2-38.9179.400000112.2D128 Y130 I133 M180 L181 A187 Q188D128-A184 HydrophobicContact CB-CB 4.41Å; D128-A184 WeakPolarHBondContact O-CA 3.34Å; Y130-A184 HydrophobicContact CD1-CB 3.89Å; Y130-A184 HydrophobicContact CE1-CB 4.01Å; I133-A184 HydrophobicContact CD1-CB 3.71Å; M180-A184 WeakPolarHBondContact O-CB 3.5Å; M180-A184 PolarHBondContact O-N 3.3Å; L181-A184 PolarHBondContact O-N 3.02Å; A184-A187 WeakPolarHBondContact O-CB 3.38Å; A184-A187 PolarHBondContact O-N 3.16Å; A184-Q188 PolarHBondContact O-N 2.83Å
185V87.3Confident85.9Confident1 Ų134.7 Ų34.71%0.00618%0.184CC..Hα-helixtrans-63.9-43.4174.6173.40000111.5Y130 L143 I147 V148 L181 R183 A187 Q188 T189 I227Y130-V185 HydrophobicContact CE1-CG2 3.88Å; L143-V185 HydrophobicContact CD2-CB 4.49Å; L143-V185 HydrophobicContact CD2-CG2 3.41Å; L143-V185 VanDerWaalsContact CD2-CG2 3.41Å; L143-V185 HydrophobicContact CG-CG2 3.78Å; I147-V185 HydrophobicContact CB-CG1 4.33Å; I147-V185 HydrophobicContact CD1-CG1 4.33Å; I147-V185 HydrophobicContact CG2-CG1 4.03Å; V148-V185 HydrophobicContact CG2-CG1 4.32Å; L181-V185 WeakPolarHBondContact O-CG2 3.41Å; L181-V185 PolarHBondContact O-N 3.33Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 3.38Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 3.4Å; V185-Q188 PolarHBondContact O-N 3.11Å; V185-T189 HydrophobicContact CG1-CG2 4.37Å; V185-T189 PolarHBondContact O-N 2.98Å; V185-T189 VanDerWaalsContact O-N 3.11Å; V185-T189 PolarHBondContact O-OG1 3.05Å; V185-I227 HydrophobicContact CG1-CD1 4.49Å
186A84.3Confident86Confident5 Ų533.3 Ų33.34%0.04117%0.169CC..Hα-helixtrans-62.8-37.9177.400000112.8P126 A182 R183 Q188 T189 F193P126-A186 HydrophobicContact CG-CB 4.42Å; A182-A186 PolarHBondContact O-N 2.86Å; R183-A186 PolarHBondContact O-N 2.79Å; A186-Q188 VanDerWaalsContact C-N 3.27Å; A186-Q188 PolarHBondContact O-N 3.43Å; A186-T189 PolarHBondContact O-OG1 3.13Å; A186-F193 HydrophobicContact CB-CB 3.89Å; A186-F193 HydrophobicContact CB-CD1 4.47Å; A186-F193 HydrophobicContact CB-CD2 3.27Å; A186-F193 HydrophobicContact CB-CE2 3.82Å; A186-F193 HydrophobicContact CB-CG 3.64Å
187A83.9Confident86Confident31 Ų3133.9 Ų33.926%0.25617%0.172SC..Hα-helixtrans-59.9-39175.700000112P126 D128 R183 A184 V185P126-A187 HydrophobicContact CG-CB 4.3Å; P126-A187 WeakPolarHBondContact O-CB 3.22Å; D128-A187 WeakPolarHBondContact O-CB 3.47Å; R183-A187 PolarHBondContact O-N 3.19Å; A184-A187 WeakPolarHBondContact O-CB 3.38Å; A184-A187 PolarHBondContact O-N 3.16Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 3.4Å
188Q82.9Confident85.9Confident95 Ų9532.9 Ų32.944%0.44416%0.162SC..Hα-helixtrans-80-37.5-176.9-69.9-156.52.400114.7Y130 A184 V185 A186 K190Y130-Q188 VanDerWaalsContact CD2-CD 3.45Å; Y130-Q188 HydrophobicContact CE2-CG 4.21Å; Y130-Q188 VanDerWaalsContact CZ-OE1 3.23Å; Y130-Q188 PolarHBondContact OH-OE1 3.14Å; A184-Q188 PolarHBondContact O-N 2.83Å; V185-Q188 PolarHBondContact O-N 3.11Å; A186-Q188 VanDerWaalsContact C-N 3.27Å; A186-Q188 PolarHBondContact O-N 3.43Å; Q188-K190 PolarHBondContact O-N 3.22Å
189T80.1Confident85.7Confident23 Ų2335.9 Ų35.914%0.14118%0.181CC..Hα-helixtrans-74.2-5.6-177.3540000113.5V148 I151 V185 A186 S191 I227V148-T189 HydrophobicContact CB-CG2 4.33Å; V148-T189 HydrophobicContact CG1-CG2 4.36Å; V148-T189 HydrophobicContact CG2-CG2 3.68Å; I151-T189 HydrophobicContact CD1-CG2 4.44Å; V185-T189 HydrophobicContact CG1-CG2 4.37Å; V185-T189 PolarHBondContact O-N 2.98Å; V185-T189 VanDerWaalsContact O-N 3.11Å; V185-T189 PolarHBondContact O-OG1 3.05Å; A186-T189 PolarHBondContact O-OG1 3.13Å; T189-S191 WeakPolarHBondContact CB-OG 3.4Å; T189-S191 PolarHBondContact O-N 3.24Å; T189-S191 PolarHBondContact O-OG 2.8Å; T189-S191 PolarHBondContact OG1-OG 3.21Å; T189-I227 HydrophobicContact CG2-CD1 4.28Å; T189-I227 VanDerWaalsContact OG1-CD1 3.31Å; T189-I227 WeakPolarHBondContact OG1-CD1 3.5Å
190K80.6Confident85.6Confident167 Ų16737.4 Ų37.473%0.72619%0.187SC*.THydrogen-bonded Turntrans47.427.8-173.7-61.5-179.4-178.8175.40112.7Q188Q188-K190 PolarHBondContact O-N 3.22Å
191S80.6Confident85.3Confident14 Ų1434.4 Ų34.410%0.09817%0.173CC..  trans-96.7158.6-176.3-62.20000110.2T189 F193 P225T189-S191 WeakPolarHBondContact CB-OG 3.4Å; T189-S191 PolarHBondContact O-N 3.24Å; T189-S191 PolarHBondContact O-OG 2.8Å; T189-S191 PolarHBondContact OG1-OG 3.21Å; S191-F193 PolarHBondContact O-N 2.85Å; S191-P225 WeakPolarHBondContact CB-O 3.43Å
192T84.8Confident84.9Confident37 Ų3738 Ų3823%0.22719%0.191CC..EExtended strand (participates in β ladder)trans-65.3124.8176.8-51.20000109.4L194 K223 P225 S226 I227T192-L194 HydrophobicContact CG2-CD2 4.2Å; T192-K223 HydrophobicContact CG2-CB 3.93Å; T192-K223 HydrophobicContact CG2-CD 3.91Å; T192-K223 PolarHBondContact OG1-O 2.82Å; T192-K223 VanDerWaalsContact OG1-O 3.04Å; T192-P225 PolarHBondContact N-O 3.3Å; T192-S226 CarbonylContact O-C 3.54Å; T192-S226 VanDerWaalsContact O-CA 3.27Å; T192-S226 WeakPolarHBondContact O-CA 3.3Å; T192-I227 PolarHBondContact O-N 2.96Å
193F88.2Confident84.7Confident11 Ų1141.9 Ų41.95%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-107.1114.1-178.7-175.4-109.1000110.8L122 R183 A186 S191 R195 I227 F229L122-F193 HydrophobicContact CD1-CD1 3.43Å; L122-F193 VanDerWaalsContact CD1-CD1 3.43Å; L122-F193 HydrophobicContact CD1-CE1 3.52Å; R183-F193 HydrophobicContact CG-CE1 4.43Å; R183-F193 HydrophobicContact CG-CZ 4.48Å; A186-F193 HydrophobicContact CB-CB 3.89Å; A186-F193 HydrophobicContact CB-CD1 4.47Å; A186-F193 HydrophobicContact CB-CD2 3.27Å; A186-F193 HydrophobicContact CB-CE2 3.82Å; A186-F193 HydrophobicContact CB-CG 3.64Å; S191-F193 PolarHBondContact O-N 2.85Å; F193-R195 HydrophobicContact CE1-CB 3.97Å; F193-I227 HydrophobicContact CD2-CB 4.29Å; F193-I227 HydrophobicContact CD2-CG2 4.21Å; F193-I227 HydrophobicContact CE2-CG2 4.41Å; F193-F229 HydrophobicContact CD2-CB 4.46Å; F193-F229 HydrophobicContact CE1-CB 4.44Å; F193-F229 HydrophobicContact CE2-CB 3.42Å; F193-F229 VanDerWaalsContact CE2-CB 3.42Å; F193-F229 HydrophobicContact CE2-CG 4.17Å; F193-F229 HydrophobicContact CZ-CB 3.39Å; F193-F229 AromaticContact CZ-CD1 3.93Å; F193-F229 HydrophobicContact CZ-CD1 3.93Å; F193-F229 AromaticContact CZ-CG 3.81Å; F193-F229 HydrophobicContact CZ-CG 3.81Å
194L88.5Confident84.3Confident4 Ų446.7 Ų46.72%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-103.5111.5178.9-59.5177.8000108.6E121 T192 T216 L219 A220 I227 I228 F229E121-L194 HydrophobicContact CB-CD2 4.05Å; E121-L194 HydrophobicContact CG-CD2 4.12Å; T192-L194 HydrophobicContact CG2-CD2 4.2Å; L194-T216 HydrophobicContact CD1-CG2 4.49Å; L194-L219 HydrophobicContact CD1-CD2 3.71Å; L194-L219 HydrophobicContact CD2-CD2 3.46Å; L194-L219 VanDerWaalsContact CD2-CD2 3.46Å; L194-L219 HydrophobicContact CG-CD2 4.22Å; L194-A220 HydrophobicContact CD1-CB 3.58Å; L194-I227 PolarHBondContact N-O 2.9Å; L194-I228 HydrophobicContact CB-CG1 4.4Å; L194-I228 HydrophobicContact CD1-CG1 4.22Å; L194-F229 PolarHBondContact O-N 3.38Å
195R88.9Confident84Confident78 Ų7855 Ų5529%0.29427%0.266SS..EExtended strand (participates in β ladder)trans-96.5121.2178.9177.5174.8-178.2-161.5-1.9110M120 L122 F193 F229M120-R195 WeakPolarHBondContact CB-O 3.35Å; M120-R195 PolarHBondContact O-N 3.43Å; M120-R195 VanDerWaalsContact O-N 3.09Å; L122-R195 HydrophobicContact CD1-CB 3.69Å; L122-R195 HydrophobicContact CG-CB 4.38Å; F193-R195 HydrophobicContact CE1-CB 3.97Å; R195-F229 HydrophobicContact CG-CD1 4.25Å
196L88.6Confident83.7Confident5 Ų561.1 Ų61.13%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-120.7137.7174.3-172.7142.1000109.2M120 L201 T216 F229 I230 D231M120-L196 HydrophobicContact CE-CD1 4.21Å; M120-L196 HydrophobicContact CE-CG 4.39Å; M120-L196 HydrophobicContact SD-CD1 4.04Å; M120-L196 HydrophobicContact SD-CG 4.44Å; L196-L201 HydrophobicContact CD1-CD1 4.4Å; L196-L201 HydrophobicContact CD1-CD2 4.01Å; L196-L201 HydrophobicContact CD1-CG 4.29Å; L196-L201 HydrophobicContact CD2-CD1 3.53Å; L196-L201 HydrophobicContact CD2-CD2 4.47Å; L196-L201 HydrophobicContact CD2-CG 3.85Å; L196-L201 HydrophobicContact CG-CG 4.46Å; L196-T216 HydrophobicContact CD1-CG2 4.39Å; L196-F229 PolarHBondContact N-O 3.48Å; L196-F229 VanDerWaalsContact O-O 3.11Å; L196-I230 HydrophobicContact CB-CG1 4.38Å; L196-I230 HydrophobicContact CD2-CB 4.46Å; L196-I230 HydrophobicContact CD2-CD1 4.45Å; L196-I230 HydrophobicContact CD2-CG1 4.08Å; L196-I230 HydrophobicContact CD2-CG2 3.96Å; L196-I230 WeakPolarHBondContact O-CA 3.21Å; L196-D231 PolarHBondContact O-N 3.05Å
197T88Confident83.6Confident28 Ų2862.1 Ų62.117%0.17231%0.309CS..EExtended strand (participates in β ladder)trans-107.7131.8173.7-49.50000107.5T199 L200T197-T199 WeakPolarHBondContact CG2-OG1 3.5Å; T197-T199 PolarHBondContact O-N 2.73Å; T197-T199 VanDerWaalsContact O-N 3.16Å; T197-L200 WeakPolarHBondContact O-CB 3.39Å; T197-L200 PolarHBondContact O-N 2.79Å
198G84Confident83.7Confident0 Ų062.6 Ų62.60%031%0.305CS..G310 helixtrans-54.8-35.6-17500000113.2L200 L201 D231 I236G198-L200 VanDerWaalsContact C-N 3.27Å; G198-L200 PolarHBondContact O-N 3.12Å; G198-L201 WeakPolarHBondContact O-CB 3.46Å; G198-L201 PolarHBondContact O-N 3.38Å; G198-D231 PolarHBondContact N-O 3.24Å; G198-I236 VanDerWaalsContact O-CG2 3.3Å; G198-I236 WeakPolarHBondContact O-CG2 3.26Å
199T85.3Confident83.8Confident73 Ų7358.2 Ų58.245%0.44829%0.286SS..G310 helixtrans-62.1-2817654.20000114.1T197 L201 I202 A235T197-T199 WeakPolarHBondContact CG2-OG1 3.5Å; T197-T199 PolarHBondContact O-N 2.73Å; T197-T199 VanDerWaalsContact O-N 3.16Å; T199-L201 VanDerWaalsContact C-N 3.25Å; T199-L201 PolarHBondContact O-N 2.67Å; T199-I202 PolarHBondContact O-N 2.79Å; T199-A235 HydrophobicContact CG2-CB 4.11Å
200L84.3Confident84.2Confident69 Ų6957.4 Ų57.436%0.36128%0.281SS..G310 helixtrans-70.9-21.7179.9-67.3172.1000113.5M120 T197 G198 I202 R203M120-L200 HydrophobicContact CE-CB 4.21Å; M120-L200 HydrophobicContact CE-CD1 4Å; T197-L200 WeakPolarHBondContact O-CB 3.39Å; T197-L200 PolarHBondContact O-N 2.79Å; G198-L200 VanDerWaalsContact C-N 3.27Å; G198-L200 PolarHBondContact O-N 3.12Å; L200-I202 VanDerWaalsContact C-N 3.32Å; L200-R203 PolarHBondContact O-NE 3.18Å
201L82.1Confident84.5Confident2 Ų254.4 Ų54.41%0.0127%0.269CS..G310 helixtrans-79.2-17.1178.9-70.7175.8000112.8L196 G198 T199 R203 M212 V213 I236 T254L196-L201 HydrophobicContact CD1-CD1 4.4Å; L196-L201 HydrophobicContact CD1-CD2 4.01Å; L196-L201 HydrophobicContact CD1-CG 4.29Å; L196-L201 HydrophobicContact CD2-CD1 3.53Å; L196-L201 HydrophobicContact CD2-CD2 4.47Å; L196-L201 HydrophobicContact CD2-CG 3.85Å; L196-L201 HydrophobicContact CG-CG 4.46Å; G198-L201 WeakPolarHBondContact O-CB 3.46Å; G198-L201 PolarHBondContact O-N 3.38Å; T199-L201 VanDerWaalsContact C-N 3.25Å; T199-L201 PolarHBondContact O-N 2.67Å; L201-R203 PolarHBondContact O-N 2.91Å; L201-M212 HydrophobicContact CD2-CB 4.39Å; L201-M212 HydrophobicContact CD2-CG 4.29Å; L201-M212 HydrophobicContact CD2-SD 4.01Å; L201-V213 HydrophobicContact CD1-CG2 4.1Å; L201-V213 HydrophobicContact CD2-CG2 3.58Å; L201-V213 HydrophobicContact CG-CG2 4.48Å; L201-I236 HydrophobicContact CB-CG2 3.94Å; L201-I236 HydrophobicContact CD1-CD1 3.68Å; L201-I236 HydrophobicContact CD1-CG2 4.13Å; L201-T254 HydrophobicContact CB-CG2 4.17Å; L201-T254 HydrophobicContact CD1-CG2 4.49Å; L201-T254 HydrophobicContact CD2-CG2 4.41Å
202I82.2Confident84.8Confident77 Ų7753.8 Ų53.840%0.39526%0.264SS..  trans-81.3113.3178.2-52.1177.9000107.9T199 L200 A235 I236 I251T199-I202 PolarHBondContact O-N 2.79Å; L200-I202 VanDerWaalsContact C-N 3.32Å; I202-A235 HydrophobicContact CD1-CB 4.38Å; I202-I236 HydrophobicContact CG1-CG2 4.47Å; I202-I251 HydrophobicContact CD1-CD1 4.23Å; I202-I251 HydrophobicContact CG1-CD1 4.44Å; I202-I251 HydrophobicContact CG1-CG1 4.29Å; I202-I251 HydrophobicContact CG2-CD1 4.32Å; I202-I251 HydrophobicContact CG2-CG1 4.29Å
203R80.9Confident85Confident81 Ų8152.1 Ų52.131%0.30625%0.254SS..  trans-131.7149.8-177.3-66.3-67.7173.2175.7-2.6110.4L200 L201 Y205 E208L200-R203 PolarHBondContact O-NE 3.18Å; L201-R203 PolarHBondContact O-N 2.91Å; R203-Y205 VanDerWaalsContact C-N 3.28Å; R203-Y205 PolarHBondContact O-N 3.37Å; R203-E208 HydrophobicContact CB-CB 4.12Å; R203-E208 HydrophobicContact CB-CG 4.43Å; R203-E208 WeakPolarHBondContact CB-OE2 3.44Å; R203-E208 HydrophobicContact CG-CB 4.37Å; R203-E208 HydrophobicContact CG-CG 4.21Å
204M77.1Confident84.9Confident179 Ų17957.1 Ų57.188%0.88227%0.272SS*.SBendtrans-72.9-19.7177.5-65.5179.6172.100113.2
205Y80.8Confident84.8Confident174 Ų17457.7 Ų57.768%0.68228%0.275SS*.SBendtrans-94.9124.3-179.2-65.8-76.3000111.1R203 G207 E208R203-Y205 VanDerWaalsContact C-N 3.28Å; R203-Y205 PolarHBondContact O-N 3.37Å; Y205-G207 PolarHBondContact O-N 3.46Å; Y205-E208 WeakPolarHBondContact O-CB 3.45Å; Y205-E208 PolarHBondContact O-N 2.8Å; Y205-E208 VanDerWaalsContact O-N 3.13Å
206I81.5Confident84.8Confident130 Ų13054.2 Ų54.267%0.66726%0.262SS*.THydrogen-bonded Turntrans-53.9122.4179.5-58.8163.2000110.4E208 E250I206-E208 VanDerWaalsContact C-N 3.3Å; I206-E208 PolarHBondContact O-N 3.36Å; I206-E250 WeakPolarHBondContact CG1-OE1 3.47Å
207G83.1Confident84.8Confident27 Ų2754.2 Ų54.228%0.27826%0.262SS..THydrogen-bonded Turntrans83.9-5.617400000115.3Y205 A210 K211Y205-G207 PolarHBondContact O-N 3.46Å; G207-A210 PolarHBondContact O-N 3.23Å; G207-K211 PolarHBondContact O-N 2.98Å
208E85.1Confident84.6Confident40 Ų4057.1 Ų57.119%0.18727%0.274CS..Hα-helixtrans-64.2-43.8176-171.1-180-167.100111.5R116 R203 Y205 I206 A210 K211 M212R116-E208 IonicContact CZ-OE1 3.51Å; R116-E208 IonicContact NH1-OE1 2.74Å; R116-E208 PolarHBondContact NH1-OE1 3.09Å; R116-E208 IonicContact NH2-OE1 3.39Å; R116-E208 PolarHBondContact NH2-OE1 3.33Å; R203-E208 HydrophobicContact CB-CB 4.12Å; R203-E208 HydrophobicContact CB-CG 4.43Å; R203-E208 WeakPolarHBondContact CB-OE2 3.44Å; R203-E208 HydrophobicContact CG-CB 4.37Å; R203-E208 HydrophobicContact CG-CG 4.21Å; Y205-E208 WeakPolarHBondContact O-CB 3.45Å; Y205-E208 PolarHBondContact O-N 2.8Å; Y205-E208 VanDerWaalsContact O-N 3.13Å; I206-E208 VanDerWaalsContact C-N 3.3Å; I206-E208 PolarHBondContact O-N 3.36Å; E208-A210 PolarHBondContact O-N 3.43Å; E208-K211 PolarHBondContact O-N 3.34Å; E208-M212 PolarHBondContact O-N 3Å
209G85.5Confident84.7Confident3 Ų357.4 Ų57.43%0.03128%0.275CS..Hα-helixtrans-59.1-45.3174.900000112.3K211 M212 V213G209-K211 PolarHBondContact O-N 3.18Å; G209-M212 WeakPolarHBondContact O-CB 3.35Å; G209-M212 PolarHBondContact O-N 3.25Å; G209-V213 WeakPolarHBondContact O-CG2 3.1Å; G209-V213 PolarHBondContact O-N 2.91Å
210A87.1Confident84.8Confident6 Ų653.9 Ų53.95%0.0525%0.254CS..Hα-helixtrans-63.8-40.9177.700000112.3G207 E208 M212 V213 R214 E257G207-A210 PolarHBondContact O-N 3.23Å; E208-A210 PolarHBondContact O-N 3.43Å; A210-M212 VanDerWaalsContact C-N 3.34Å; A210-V213 PolarHBondContact O-N 3.39Å; A210-R214 WeakPolarHBondContact O-CG 3.46Å; A210-R214 PolarHBondContact O-N 3.31Å; A210-E257 HydrophobicContact CB-CB 4.04Å; A210-E257 HydrophobicContact CB-CG 4.07Å
211K87.1Confident84.9Confident105 Ų10556.7 Ų56.746%0.45726%0.259SS..Hα-helixtrans-61.4-43.4174.2-173.7-168.3176.6-153.60111.3D114 G207 E208 G209 V213 R214 Q215D114-K211 IonicContact OD1-NZ 3.65Å; G207-K211 PolarHBondContact O-N 2.98Å; E208-K211 PolarHBondContact O-N 3.34Å; G209-K211 PolarHBondContact O-N 3.18Å; K211-V213 PolarHBondContact O-N 3.05Å; K211-R214 PolarHBondContact O-N 3.42Å; K211-Q215 WeakPolarHBondContact O-CG 3.39Å; K211-Q215 PolarHBondContact O-N 3.36Å
212M87.1Confident85Confident0 Ų060.5 Ų60.50%029%0.291CS..Hα-helixtrans-60.4-46.3178.7-172.3179.8-64.800111.4I117 M120 L201 E208 G209 A210 R214 Q215 T216I117-M212 HydrophobicContact CD1-CG 4.27Å; I117-M212 HydrophobicContact CG1-CG 4.2Å; M120-M212 HydrophobicContact CE-CG 4.41Å; M120-M212 HydrophobicContact CE-SD 3.58Å; M120-M212 VanDerWaalsContact CE-SD 3.58Å; L201-M212 HydrophobicContact CD2-CB 4.39Å; L201-M212 HydrophobicContact CD2-CG 4.29Å; L201-M212 HydrophobicContact CD2-SD 4.01Å; E208-M212 PolarHBondContact O-N 3Å; G209-M212 WeakPolarHBondContact O-CB 3.35Å; G209-M212 PolarHBondContact O-N 3.25Å; A210-M212 VanDerWaalsContact C-N 3.34Å; M212-R214 PolarHBondContact O-N 3.05Å; M212-Q215 PolarHBondContact O-N 3.23Å; M212-T216 PolarHBondContact O-N 3.35Å; M212-T216 PolarHBondContact O-OG1 3.26Å
213V88.6Confident85.2Confident2 Ų260.6 Ų60.61%0.01229%0.289CS..Hα-helixtrans-56.5-48.4176173.80000111.3L201 G209 A210 K211 Q215 T216 F217 T254 L258 Q261L201-V213 HydrophobicContact CD1-CG2 4.1Å; L201-V213 HydrophobicContact CD2-CG2 3.58Å; L201-V213 HydrophobicContact CG-CG2 4.48Å; G209-V213 WeakPolarHBondContact O-CG2 3.1Å; G209-V213 PolarHBondContact O-N 2.91Å; A210-V213 PolarHBondContact O-N 3.39Å; K211-V213 PolarHBondContact O-N 3.05Å; V213-Q215 PolarHBondContact O-N 3.19Å; V213-T216 PolarHBondContact O-N 3.17Å; V213-F217 HydrophobicContact CG1-CD2 3.72Å; V213-F217 HydrophobicContact CG1-CE2 3.64Å; V213-F217 WeakPolarHBondContact O-CD2 3.41Å; V213-F217 PolarHBondContact O-N 3.26Å; V213-F217 VanDerWaalsContact O-N 3.09Å; V213-T254 HydrophobicContact CG2-CG2 3.78Å; V213-L258 HydrophobicContact CG1-CB 3.98Å; V213-L258 HydrophobicContact CG1-CD1 4.24Å; V213-L258 HydrophobicContact CG1-CG 4.41Å; V213-Q261 HydrophobicContact CG1-CG 4.39Å
214R87.8Confident85.3Confident116 Ų11659.1 Ų59.144%0.43829%0.294SS..Hα-helixtrans-57.7-48.8177.4-69.6179.6-175.2171.45.3112.2A210 K211 M212 T216 F217 E218 E257A210-R214 WeakPolarHBondContact O-CG 3.46Å; A210-R214 PolarHBondContact O-N 3.31Å; K211-R214 PolarHBondContact O-N 3.42Å; M212-R214 PolarHBondContact O-N 3.05Å; R214-T216 VanDerWaalsContact C-N 3.35Å; R214-T216 PolarHBondContact O-N 3.17Å; R214-F217 PolarHBondContact O-N 3.07Å; R214-E218 WeakPolarHBondContact O-CG 3.3Å; R214-E218 PolarHBondContact O-N 2.96Å; R214-E257 HydrophobicContact CG-CG 4.08Å; R214-E257 VanDerWaalsContact CG-OE1 3.29Å; R214-E257 WeakPolarHBondContact CG-OE1 3.41Å; R214-E257 IonicContact CZ-OE1 3.86Å; R214-E257 IonicContact CZ-OE2 2.79Å; R214-E257 IonicContact NE-OE1 2.61Å; R214-E257 PolarHBondContact NE-OE1 3.41Å; R214-E257 IonicContact NE-OE2 2.65Å; R214-E257 PolarHBondContact NE-OE2 2.83Å; R214-E257 IonicContact NH2-OE1 2.58Å; R214-E257 IonicContact NH2-OE2 3.54Å; R214-E257 PolarHBondContact NH2-OE2 3.26Å
215Q86.7Confident85.8Confident17 Ų1753 Ų538%0.07927%0.267CS..Hα-helixtrans-65-36.8-179.5-72.9-179-33.200112.2I117 K211 M212 V213 E218 L219I117-Q215 HydrophobicContact CD1-CB 3.21Å; I117-Q215 HydrophobicContact CD1-CG 4.18Å; K211-Q215 WeakPolarHBondContact O-CG 3.39Å; K211-Q215 PolarHBondContact O-N 3.36Å; M212-Q215 PolarHBondContact O-N 3.23Å; V213-Q215 PolarHBondContact O-N 3.19Å; Q215-E218 PolarHBondContact O-N 3.28Å; Q215-L219 WeakPolarHBondContact O-CB 3.43Å; Q215-L219 PolarHBondContact O-N 3.33Å
216T87.5Confident86.1Confident5 Ų544.7 Ų44.73%0.03124%0.235CC..Hα-helixtrans-61.5-43.9173.8-59.80000111L194 L196 M212 V213 R214 L219 A220L194-T216 HydrophobicContact CD1-CG2 4.49Å; L196-T216 HydrophobicContact CD1-CG2 4.39Å; M212-T216 PolarHBondContact O-N 3.35Å; M212-T216 PolarHBondContact O-OG1 3.26Å; V213-T216 PolarHBondContact O-N 3.17Å; R214-T216 VanDerWaalsContact C-N 3.35Å; R214-T216 PolarHBondContact O-N 3.17Å; T216-L219 PolarHBondContact O-N 2.91Å; T216-A220 WeakPolarHBondContact O-CB 3.45Å; T216-A220 PolarHBondContact O-N 3.31Å
217F88.1Confident86.5Confident5 Ų538.5 Ų38.52%0.02220%0.203CC..Hα-helixtrans-70.9-32.6177-78.8-68.4000113.3V213 R214 R221 I228 L258 Q261 L262 F265V213-F217 HydrophobicContact CG1-CD2 3.72Å; V213-F217 HydrophobicContact CG1-CE2 3.64Å; V213-F217 WeakPolarHBondContact O-CD2 3.41Å; V213-F217 PolarHBondContact O-N 3.26Å; V213-F217 VanDerWaalsContact O-N 3.09Å; R214-F217 PolarHBondContact O-N 3.07Å; F217-R221 WeakPolarHBondContact O-CG 3.44Å; F217-R221 PolarHBondContact O-N 2.79Å; F217-R221 PolarHBondContact O-NE 2.95Å; F217-I228 HydrophobicContact CD1-CD1 3.29Å; F217-I228 HydrophobicContact CE1-CD1 3.36Å; F217-I228 HydrophobicContact CG-CD1 4.23Å; F217-I228 HydrophobicContact CZ-CD1 4.27Å; F217-L258 HydrophobicContact CE2-CD1 4.49Å; F217-L258 HydrophobicContact CE2-CG 4.41Å; F217-Q261 HydrophobicContact CD2-CB 3.55Å; F217-Q261 HydrophobicContact CD2-CG 3.81Å; F217-Q261 HydrophobicContact CE2-CB 3.65Å; F217-Q261 HydrophobicContact CE2-CG 4.26Å; F217-Q261 HydrophobicContact CG-CB 4.12Å; F217-Q261 HydrophobicContact CG-CG 4.5Å; F217-Q261 HydrophobicContact CZ-CB 4.26Å; F217-L262 HydrophobicContact CE1-CD2 4.41Å; F217-L262 HydrophobicContact CZ-CD2 4.22Å; F217-L262 HydrophobicContact CZ-CG 4.34Å; F217-F265 HydrophobicContact CB-CZ 4.22Å; F217-F265 HydrophobicContact CD1-CE1 4.18Å; F217-F265 AromaticContact CD1-CE2 3.7Å; F217-F265 HydrophobicContact CD1-CE2 3.7Å; F217-F265 AromaticContact CD1-CZ 3.15Å; F217-F265 HydrophobicContact CD1-CZ 3.15Å; F217-F265 AromaticContact CE1-CE2 3.46Å; F217-F265 HydrophobicContact CE1-CE2 3.46Å; F217-F265 VanDerWaalsContact CE1-CE2 3.46Å; F217-F265 AromaticContact CE1-CZ 3.46Å; F217-F265 HydrophobicContact CE1-CZ 3.46Å; F217-F265 VanDerWaalsContact CE1-CZ 3.46Å; F217-F265 HydrophobicContact CG-CE2 4.49Å; F217-F265 AromaticContact CG-CZ 3.84Å; F217-F265 HydrophobicContact CG-CZ 3.84Å; F217-F265 HydrophobicContact CZ-CE2 4.18Å; F217-F265 HydrophobicContact CZ-CZ 4.42Å
218E85.7Confident86.9Confident88 Ų8837.3 Ų37.341%0.41119%0.19SC..Hα-helixtrans-62.9-46.7170-76.6166.9-171.100111.9R214 Q215 A220 R221 A222R214-E218 WeakPolarHBondContact O-CG 3.3Å; R214-E218 PolarHBondContact O-N 2.96Å; Q215-E218 PolarHBondContact O-N 3.28Å; E218-A220 VanDerWaalsContact C-N 3.33Å; E218-A220 PolarHBondContact O-N 3.1Å; E218-R221 VanDerWaalsContact CG-NH2 3.25Å; E218-R221 WeakPolarHBondContact O-CB 3.45Å; E218-R221 PolarHBondContact O-N 3.22Å; E218-A222 PolarHBondContact O-N 3.12Å
219L85.5Confident87.2Confident6 Ų635.5 Ų35.53%0.03118%0.182CC..Hα-helixtrans-63.7-40.7176.7-172.6150.8000111.2I117 L194 Q215 T216 R221 A222 K223I117-L219 HydrophobicContact CG2-CD1 4.01Å; L194-L219 HydrophobicContact CD1-CD2 3.71Å; L194-L219 HydrophobicContact CD2-CD2 3.46Å; L194-L219 VanDerWaalsContact CD2-CD2 3.46Å; L194-L219 HydrophobicContact CG-CD2 4.22Å; Q215-L219 WeakPolarHBondContact O-CB 3.43Å; Q215-L219 PolarHBondContact O-N 3.33Å; T216-L219 PolarHBondContact O-N 2.91Å; L219-R221 VanDerWaalsContact C-N 3.29Å; L219-R221 PolarHBondContact O-N 3.2Å; L219-A222 PolarHBondContact O-N 2.99Å; L219-K223 HydrophobicContact CD2-CD 3.94Å; L219-K223 HydrophobicContact CD2-CG 4.45Å; L219-K223 HydrophobicContact CG-CD 4.5Å; L219-K223 PolarHBondContact O-N 3.35Å
220A87.5Confident87.5Confident0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-59.4-39.9174.700000112.4L194 T216 E218 K223 A224 S226 I228 V271L194-A220 HydrophobicContact CD1-CB 3.58Å; T216-A220 WeakPolarHBondContact O-CB 3.45Å; T216-A220 PolarHBondContact O-N 3.31Å; E218-A220 VanDerWaalsContact C-N 3.33Å; E218-A220 PolarHBondContact O-N 3.1Å; A220-K223 CarbonylContact O-C 3.59Å; A220-K223 PolarHBondContact O-N 3.01Å; A220-A224 PolarHBondContact O-N 3.49Å; A220-S226 WeakPolarHBondContact CA-OG 3.41Å; A220-S226 WeakPolarHBondContact CB-OG 3.36Å; A220-S226 PolarHBondContact O-OG 3.46Å; A220-I228 HydrophobicContact CB-CD1 3.67Å; A220-I228 HydrophobicContact CB-CG1 3.96Å; A220-V271 HydrophobicContact CB-CG1 3.93Å; A220-V271 HydrophobicContact CB-CG2 4.42Å
221R85.7Confident87.6Confident127 Ų12736.1 Ų36.148%0.47918%0.184SC..Hα-helixtrans-68.4-42.2175.6-75.9-175.8-70.5169.1-2.4112.1F217 E218 L219 K223 A224 F265 V271F217-R221 WeakPolarHBondContact O-CG 3.44Å; F217-R221 PolarHBondContact O-N 2.79Å; F217-R221 PolarHBondContact O-NE 2.95Å; E218-R221 VanDerWaalsContact CG-NH2 3.25Å; E218-R221 WeakPolarHBondContact O-CB 3.45Å; E218-R221 PolarHBondContact O-N 3.22Å; L219-R221 VanDerWaalsContact C-N 3.29Å; L219-R221 PolarHBondContact O-N 3.2Å; R221-K223 PolarHBondContact O-N 2.91Å; R221-A224 WeakPolarHBondContact O-CB 3.45Å; R221-A224 PolarHBondContact O-N 2.95Å; R221-F265 HydrophobicContact CG-CE1 4.46Å; R221-V271 HydrophobicContact CG-CG2 4.35Å
222A85.1Confident87.7Confident82 Ų8234.8 Ų34.868%0.67818%0.179SC*.Hα-helixtrans-63.4-31.3177.200000112.4E218 L219E218-A222 PolarHBondContact O-N 3.12Å; L219-A222 PolarHBondContact O-N 2.99Å
223K85.7Confident87.8Confident80 Ų8034.9 Ų34.935%0.34818%0.179SC..THydrogen-bonded Turntrans-105.124.4-178.2-60.9-168.4172.4-172.40114.3E121 T192 L219 A220 R221 P225E121-K223 WeakPolarHBondContact OE1-CD 3.31Å; E121-K223 IonicContact OE1-NZ 2.88Å; E121-K223 PolarHBondContact OE1-NZ 3.42Å; E121-K223 IonicContact OE2-NZ 3.45Å; E121-K223 PolarHBondContact OE2-NZ 3.04Å; T192-K223 HydrophobicContact CG2-CB 3.93Å; T192-K223 HydrophobicContact CG2-CD 3.91Å; T192-K223 PolarHBondContact OG1-O 2.82Å; T192-K223 VanDerWaalsContact OG1-O 3.04Å; L219-K223 HydrophobicContact CD2-CD 3.94Å; L219-K223 HydrophobicContact CD2-CG 4.45Å; L219-K223 HydrophobicContact CG-CD 4.5Å; L219-K223 PolarHBondContact O-N 3.35Å; A220-K223 CarbonylContact O-C 3.59Å; A220-K223 PolarHBondContact O-N 3.01Å; R221-K223 PolarHBondContact O-N 2.91Å; K223-P225 CarbonylContact O-C 3.55Å
224A83.3Confident87.7Confident49 Ų4936 Ų3641%0.40519%0.185SC..  trans-58.6134.3176.800000111.5A220 R221 D270A220-A224 PolarHBondContact O-N 3.49Å; R221-A224 WeakPolarHBondContact O-CB 3.45Å; R221-A224 PolarHBondContact O-N 2.95Å; A224-D270 HydrophobicContact CB-CB 4.1Å
225P86.8Confident87.6Confident51 Ų5131.5 Ų31.533%0.33117%0.173SC..SBendcis-76.5133.83.431.4-35.1000113.5I151 S191 T192 K223 D270I151-P225 HydrophobicContact CG2-CB 4.45Å; S191-P225 WeakPolarHBondContact CB-O 3.43Å; T192-P225 PolarHBondContact N-O 3.3Å; K223-P225 CarbonylContact O-C 3.55Å; P225-D270 WeakPolarHBondContact CA-O 3.36Å; P225-D270 HydrophobicContact CB-CB 4.14Å
226S87.9Confident87.4Confident0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-137.4149.2-176.364.90000113.4T192 A220 D270 V271 R272T192-S226 CarbonylContact O-C 3.54Å; T192-S226 VanDerWaalsContact O-CA 3.27Å; T192-S226 WeakPolarHBondContact O-CA 3.3Å; A220-S226 WeakPolarHBondContact CA-OG 3.41Å; A220-S226 WeakPolarHBondContact CB-OG 3.36Å; A220-S226 PolarHBondContact O-OG 3.46Å; S226-D270 PolarHBondContact N-O 3.2Å; S226-V271 WeakPolarHBondContact O-CA 3.43Å; S226-R272 PolarHBondContact O-N 3.22Å
227I89.3Confident86.8Confident0 Ų030.7 Ų30.70%017%0.169CC..EExtended strand (participates in β ladder)trans-120.3119.8176.6-59.8172.4000107.5I147 V185 T189 T192 F193 L194 R272 I274I147-I227 HydrophobicContact CG2-CD1 3.83Å; I147-I227 HydrophobicContact CG2-CG1 4.3Å; V185-I227 HydrophobicContact CG1-CD1 4.49Å; T189-I227 HydrophobicContact CG2-CD1 4.28Å; T189-I227 VanDerWaalsContact OG1-CD1 3.31Å; T189-I227 WeakPolarHBondContact OG1-CD1 3.5Å; T192-I227 PolarHBondContact O-N 2.96Å; F193-I227 HydrophobicContact CD2-CB 4.29Å; F193-I227 HydrophobicContact CD2-CG2 4.21Å; F193-I227 HydrophobicContact CE2-CG2 4.41Å; L194-I227 PolarHBondContact N-O 2.9Å; I227-R272 CarbonylContact C-O 3.6Å; I227-R272 WeakPolarHBondContact CA-O 3.37Å; I227-R272 HydrophobicContact CG1-CB 4.48Å; I227-I274 HydrophobicContact CG2-CD1 3.67Å; I227-I274 HydrophobicContact CG2-CG1 3.99Å
228I90.8Very high86.2Confident2 Ų234.4 Ų34.41%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-94.1122.9172.9-58.4170.1000107.4L194 F217 A220 I230 V271 R272 L273 I274L194-I228 HydrophobicContact CB-CG1 4.4Å; L194-I228 HydrophobicContact CD1-CG1 4.22Å; F217-I228 HydrophobicContact CD1-CD1 3.29Å; F217-I228 HydrophobicContact CE1-CD1 3.36Å; F217-I228 HydrophobicContact CG-CD1 4.23Å; F217-I228 HydrophobicContact CZ-CD1 4.27Å; A220-I228 HydrophobicContact CB-CD1 3.67Å; A220-I228 HydrophobicContact CB-CG1 3.96Å; I228-I230 HydrophobicContact CG2-CG1 4.14Å; I228-V271 HydrophobicContact CD1-CG1 3.79Å; I228-V271 HydrophobicContact CG1-CG1 4.23Å; I228-R272 PolarHBondContact N-O 3.45Å; I228-L273 HydrophobicContact CB-CD1 3.89Å; I228-L273 HydrophobicContact CG2-CD1 3.72Å; I228-L273 CarbonylContact O-C 3.58Å; I228-L273 WeakPolarHBondContact O-CA 3.28Å; I228-I274 PolarHBondContact O-N 3.3Å
229F91.9Very high85.2Confident1 Ų133.1 Ų33.10%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-111.2118.7174.1175.7-110000110.1T179 A182 F193 L194 R195 L196 D231 I274 A276T179-F229 HydrophobicContact CG2-CE1 3.93Å; T179-F229 HydrophobicContact CG2-CZ 4.21Å; A182-F229 HydrophobicContact CB-CD2 3.32Å; A182-F229 HydrophobicContact CB-CE2 3.33Å; A182-F229 HydrophobicContact CB-CG 3.96Å; A182-F229 HydrophobicContact CB-CZ 3.98Å; F193-F229 HydrophobicContact CD2-CB 4.46Å; F193-F229 HydrophobicContact CE1-CB 4.44Å; F193-F229 HydrophobicContact CE2-CB 3.42Å; F193-F229 VanDerWaalsContact CE2-CB 3.42Å; F193-F229 HydrophobicContact CE2-CG 4.17Å; F193-F229 HydrophobicContact CZ-CB 3.39Å; F193-F229 AromaticContact CZ-CD1 3.93Å; F193-F229 HydrophobicContact CZ-CD1 3.93Å; F193-F229 AromaticContact CZ-CG 3.81Å; F193-F229 HydrophobicContact CZ-CG 3.81Å; L194-F229 PolarHBondContact O-N 3.38Å; R195-F229 HydrophobicContact CG-CD1 4.25Å; L196-F229 PolarHBondContact N-O 3.48Å; L196-F229 VanDerWaalsContact O-O 3.11Å; F229-D231 HydrophobicContact CD1-CB 4.5Å; F229-D231 HydrophobicContact CE1-CB 3.69Å; F229-D231 HydrophobicContact CZ-CB 4.04Å; F229-I274 CarbonylContact C-O 3.57Å; F229-I274 WeakPolarHBondContact CA-O 3.27Å; F229-I274 HydrophobicContact CD2-CB 3.9Å; F229-I274 HydrophobicContact CD2-CG2 3.7Å; F229-I274 HydrophobicContact CE2-CG2 4.05Å; F229-A276 HydrophobicContact CE2-CB 3.93Å; F229-A276 HydrophobicContact CZ-CB 3.98Å
230I91.5Very high84Confident2 Ų243 Ų431%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-106.7107.1176-57.9-177.3000108.2L196 I228 V233 L258 L273 I274 C275 A276L196-I230 HydrophobicContact CB-CG1 4.38Å; L196-I230 HydrophobicContact CD2-CB 4.46Å; L196-I230 HydrophobicContact CD2-CD1 4.45Å; L196-I230 HydrophobicContact CD2-CG1 4.08Å; L196-I230 HydrophobicContact CD2-CG2 3.96Å; L196-I230 WeakPolarHBondContact O-CA 3.21Å; I228-I230 HydrophobicContact CG2-CG1 4.14Å; I230-V233 HydrophobicContact CG2-CB 4.14Å; I230-V233 HydrophobicContact CG2-CG2 4.27Å; I230-L258 HydrophobicContact CD1-CD1 3.5Å; I230-L273 HydrophobicContact CD1-CD1 3.7Å; I230-L273 HydrophobicContact CG1-CD1 3.87Å; I230-I274 PolarHBondContact N-O 2.82Å; I230-C275 CarbonylContact O-C 3.59Å; I230-C275 WeakPolarHBondContact O-CA 3.48Å; I230-A276 PolarHBondContact O-N 3.39Å
231D90.6Very high82.3Confident20 Ų2045.7 Ų45.711%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-84.4151.2171.3-142.2-16.4000110.2T179 L196 G198 F229 V233T179-D231 PolarHBondContact OG1-OD2 2.84Å; L196-D231 PolarHBondContact O-N 3.05Å; G198-D231 PolarHBondContact N-O 3.24Å; F229-D231 HydrophobicContact CD1-CB 4.5Å; F229-D231 HydrophobicContact CE1-CB 3.69Å; F229-D231 HydrophobicContact CZ-CB 4.04Å; D231-V233 PolarHBondContact O-N 2.76Å
232E88.8Confident80.8Confident78 Ų7845.6 Ų45.636%0.36426%0.262SS..  trans51.749.7178.6-58.7178.8167.200113.2D234 A235 A276E232-D234 VanDerWaalsContact CA-OD1 3.24Å; E232-D234 WeakPolarHBondContact CA-OD1 3.27Å; E232-D234 PolarHBondContact O-N 3.29Å; E232-D234 VanDerWaalsContact O-N 3.16Å; E232-A235 WeakPolarHBondContact O-CB 3.26Å; E232-A235 PolarHBondContact O-N 3.26Å; E232-A276 PolarHBondContact N-O 3.06Å
233V88.3Confident79.4Confident1 Ų144.6 Ų44.61%0.00625%0.25CS..G310 helixtrans-63.2-20.4179.770.80000112.4L169 I230 D231 A235 I236 G237 C275 A276 L283 L287L169-V233 HydrophobicContact CD1-CG1 4.31Å; I230-V233 HydrophobicContact CG2-CB 4.14Å; I230-V233 HydrophobicContact CG2-CG2 4.27Å; D231-V233 PolarHBondContact O-N 2.76Å; V233-A235 PolarHBondContact O-N 3.42Å; V233-I236 HydrophobicContact CG2-CD1 4.3Å; V233-I236 HydrophobicContact CG2-CG1 4.17Å; V233-I236 VanDerWaalsContact O-CG1 3.3Å; V233-I236 WeakPolarHBondContact O-CG1 3.41Å; V233-I236 PolarHBondContact O-N 2.89Å; V233-G237 WeakPolarHBondContact O-CA 3.12Å; V233-G237 PolarHBondContact O-N 3.04Å; V233-C275 HydrophobicContact CB-CB 4.46Å; V233-C275 HydrophobicContact CG1-CB 4.31Å; V233-A276 PolarHBondContact N-O 3.26Å; V233-A276 VanDerWaalsContact N-O 3.11Å; V233-L283 HydrophobicContact CG1-CD1 3.97Å; V233-L287 HydrophobicContact CG2-CD1 4.5Å
234D87.5Confident78Confident26 Ų2650.6 Ų50.614%0.13928%0.28CS..G310 helixtrans-61.1-24.4171.650.9-19.8000113.6E232 I236 M238 I282E232-D234 VanDerWaalsContact CA-OD1 3.24Å; E232-D234 WeakPolarHBondContact CA-OD1 3.27Å; E232-D234 PolarHBondContact O-N 3.29Å; E232-D234 VanDerWaalsContact O-N 3.16Å; D234-I236 VanDerWaalsContact C-N 3.28Å; D234-I236 PolarHBondContact O-N 3.5Å; D234-M238 WeakPolarHBondContact O-CG 3.42Å; D234-I282 HydrophobicContact CB-CD1 3.7Å; D234-I282 HydrophobicContact CB-CG1 4.11Å
235A85.2Confident76.9Confident22 Ų2258 Ų5818%0.18230%0.297CS..G310 helixtrans-64.7-31.5174.700000113.1T199 I202 E232 V233T199-A235 HydrophobicContact CG2-CB 4.11Å; I202-A235 HydrophobicContact CD1-CB 4.38Å; E232-A235 WeakPolarHBondContact O-CB 3.26Å; E232-A235 PolarHBondContact O-N 3.26Å; V233-A235 PolarHBondContact O-N 3.42Å
236I83.3Confident75.8Confident5 Ų558.3 Ų58.33%0.02631%0.309CS..THydrogen-bonded Turntrans-106.9-21.2179.762.8174.1000113.3G198 L201 I202 V233 D234 I251 L258G198-I236 VanDerWaalsContact O-CG2 3.3Å; G198-I236 WeakPolarHBondContact O-CG2 3.26Å; L201-I236 HydrophobicContact CB-CG2 3.94Å; L201-I236 HydrophobicContact CD1-CD1 3.68Å; L201-I236 HydrophobicContact CD1-CG2 4.13Å; I202-I236 HydrophobicContact CG1-CG2 4.47Å; V233-I236 HydrophobicContact CG2-CD1 4.3Å; V233-I236 HydrophobicContact CG2-CG1 4.17Å; V233-I236 VanDerWaalsContact O-CG1 3.3Å; V233-I236 WeakPolarHBondContact O-CG1 3.41Å; V233-I236 PolarHBondContact O-N 2.89Å; D234-I236 VanDerWaalsContact C-N 3.28Å; D234-I236 PolarHBondContact O-N 3.5Å; I236-I251 HydrophobicContact CB-CG2 4.35Å; I236-I251 WeakPolarHBondContact O-CG2 3.49Å; I236-L258 HydrophobicContact CD1-CD1 4.38Å
237G75.1Confident74.9Confident0 Ų062 Ų620%034%0.336CS..  trans-97.615-169.300000114.7V233 S239 L283 D284V233-G237 WeakPolarHBondContact O-CA 3.12Å; V233-G237 PolarHBondContact O-N 3.04Å; G237-S239 PolarHBondContact O-N 3.02Å; G237-L283 CarbonylContact O-C 3.56Å; G237-L283 WeakPolarHBondContact O-CA 3.22Å; G237-D284 PolarHBondContact O-N 2.97Å
238M75.1Confident74.1Confident83 Ų8363.7 Ų63.741%0.40935%0.347SS..BIsolated β-bridgetrans-64125.1-178.1-60.9-175.472.500111.4D234 R240 I282D234-M238 WeakPolarHBondContact O-CG 3.42Å; M238-R240 PolarHBondContact O-N 2.81Å; M238-I282 WeakPolarHBondContact CA-O 3.4Å
239S63.7Low73.6Confident60 Ų6073.2 Ų73.242%0.4238%0.383SS..  trans-64.7123.2169.880.10000109.7G237 C241 I282G237-S239 PolarHBondContact O-N 3.02Å; S239-C241 PolarHBondContact O-N 2.83Å; S239-C241 VanDerWaalsContact O-N 3.16Å; S239-I282 PolarHBondContact N-O 2.82Å
240R61Low73.1Confident213 Ų21375.2 Ų75.280%0.80439%0.392SS*.  trans12.785.5172.3-63.3179.6-175.7-179.90.8115.8M238 S242M238-R240 PolarHBondContact O-N 2.81Å; R240-S242 PolarHBondContact O-N 3.03Å
241C52.3Low72.7Confident58 Ų5877 Ų7739%0.39240%0.401SS..  trans-66.6121.3155.1-710000108.4S239 S243S239-C241 PolarHBondContact O-N 2.83Å; S239-C241 VanDerWaalsContact O-N 3.16Å; C241-S243 WeakPolarHBondContact CB-OG 3.42Å; C241-S243 PolarHBondContact O-N 2.89Å
242S53Low72.4Confident125 Ų12579.3 Ų79.387%0.87441%0.412SS*.  trans-65.612.2177.7-29.80000113.8R240R240-S242 PolarHBondContact O-N 3.03Å
243S55.5Low72.1Confident61 Ų6182.9 Ų82.943%0.42742%0.422SS..  trans-88.3109.9-179.633.10000109.7C241 R245C241-S243 WeakPolarHBondContact CB-OG 3.42Å; C241-S243 PolarHBondContact O-N 2.89Å; S243-R245 PolarHBondContact O-N 3.26Å
244E56.3Low72.1Confident206 Ų20683.3 Ų83.396%0.96342%0.424SS*.  trans-62.519.2178.6-65-177.7138.700115.3
245R61.3Low72Confident204 Ų20482.2 Ų82.277%0.7742%0.418SS*.  trans-85.9128.3-179.2-63.1-174-175.3-174.12.1109.8S243 S247 S248S243-R245 PolarHBondContact O-N 3.26Å; R245-S247 PolarHBondContact O-N 3.47Å; R245-S248 PolarHBondContact O-N 3.5Å
246G63.4Low72.1Confident57 Ų5785.5 Ų85.559%0.58843%0.431SS*.Hα-helixtrans-50.2-28-17000000116.4S248 R249G246-S248 VanDerWaalsContact C-N 3.31Å; G246-S248 PolarHBondContact O-N 3.02Å; G246-R249 WeakPolarHBondContact O-CB 3.36Å; G246-R249 PolarHBondContact O-N 2.91Å
247S68.1Low72.3Confident79 Ų7986.1 Ų86.155%0.55243%0.434SS*.Hα-helixtrans-60-35.9177.9-48.70000113.4R245 R249 E250 I251R245-S247 PolarHBondContact O-N 3.47Å; S247-R249 VanDerWaalsContact C-N 3.28Å; S247-R249 PolarHBondContact O-N 3.28Å; S247-E250 PolarHBondContact O-N 2.89Å; S247-I251 WeakPolarHBondContact O-CG1 3.49Å; S247-I251 PolarHBondContact O-N 3.26Å
248S74.3Confident72.9Confident35 Ų3586.3 Ų86.325%0.24544%0.435CS..Hα-helixtrans-67.6-30.5179.2-63.30000112.3R245 G246 I251 Q252R245-S248 PolarHBondContact O-N 3.5Å; G246-S248 VanDerWaalsContact C-N 3.31Å; G246-S248 PolarHBondContact O-N 3.02Å; S248-I251 PolarHBondContact O-N 3.47Å; S248-Q252 WeakPolarHBondContact O-CG 3.38Å; S248-Q252 PolarHBondContact O-N 3.18Å; S248-Q252 VanDerWaalsContact O-N 3.1Å
249R79.4Confident73.4Confident202 Ų20282.4 Ų82.476%0.76242%0.416SS*.Hα-helixtrans-70.1-34.2178-167.1176.7-176.7175.51.5112G246 S247 R253G246-R249 WeakPolarHBondContact O-CB 3.36Å; G246-R249 PolarHBondContact O-N 2.91Å; S247-R249 VanDerWaalsContact C-N 3.28Å; S247-R249 PolarHBondContact O-N 3.28Å; R249-R253 WeakPolarHBondContact O-CB 3.49Å; R249-R253 PolarHBondContact O-N 3.44Å
250E80.9Confident74.6Confident43 Ų4384 Ų8420%0.20142%0.419CS..Hα-helixtrans-68.9-40176.7-66.3179.7153.300112I206 S247 R253 T254I206-E250 WeakPolarHBondContact CG1-OE1 3.47Å; S247-E250 PolarHBondContact O-N 2.89Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-T254 PolarHBondContact O-N 3.22Å; E250-T254 PolarHBondContact O-OG1 2.88Å
251I83.9Confident75.7Confident39 Ų3975.7 Ų75.720%0.239%0.39CS..Hα-helixtrans-61.9-49.6175.2-63171.1000109.8I202 I236 S247 S248 R253 T254 M255I202-I251 HydrophobicContact CD1-CD1 4.23Å; I202-I251 HydrophobicContact CG1-CD1 4.44Å; I202-I251 HydrophobicContact CG1-CG1 4.29Å; I202-I251 HydrophobicContact CG2-CD1 4.32Å; I202-I251 HydrophobicContact CG2-CG1 4.29Å; I236-I251 HydrophobicContact CB-CG2 4.35Å; I236-I251 WeakPolarHBondContact O-CG2 3.49Å; S247-I251 WeakPolarHBondContact O-CG1 3.49Å; S247-I251 PolarHBondContact O-N 3.26Å; S248-I251 PolarHBondContact O-N 3.47Å; I251-R253 VanDerWaalsContact C-N 3.31Å; I251-R253 PolarHBondContact O-N 3.39Å; I251-T254 PolarHBondContact O-N 2.6Å; I251-T254 VanDerWaalsContact O-N 3.12Å; I251-M255 PolarHBondContact O-N 2.58Å
252Q83.1Confident77.2Confident69 Ų6973.1 Ų73.132%0.32237%0.372SS..Hα-helixtrans-58.3-41.5175.9-74.7-179.1-9.600112.3S248 T254 M255 M256S248-Q252 WeakPolarHBondContact O-CG 3.38Å; S248-Q252 PolarHBondContact O-N 3.18Å; S248-Q252 VanDerWaalsContact O-N 3.1Å; Q252-T254 VanDerWaalsContact C-N 3.32Å; Q252-T254 PolarHBondContact O-N 3.07Å; Q252-M255 PolarHBondContact O-N 2.58Å; Q252-M256 VanDerWaalsContact O-CG 3.26Å; Q252-M256 WeakPolarHBondContact O-CG 3.34Å; Q252-M256 PolarHBondContact O-N 3.32Å
253R84.3Confident78.4Confident152 Ų15270.4 Ų70.457%0.57435%0.348SS*.Hα-helixtrans-62-40.9176.8-173.8177-178.7171.41.4111.9R249 E250 I251 M256 E257R249-R253 WeakPolarHBondContact O-CB 3.49Å; R249-R253 PolarHBondContact O-N 3.44Å; E250-R253 PolarHBondContact O-N 3.4Å; I251-R253 VanDerWaalsContact C-N 3.31Å; I251-R253 PolarHBondContact O-N 3.39Å; R253-M256 PolarHBondContact O-N 3.23Å; R253-E257 PolarHBondContact O-N 3.11Å
254T87.1Confident79.2Confident10 Ų1070.5 Ų70.56%0.06136%0.358CS..Hα-helixtrans-68.4-39.9178.3-540000111.4L201 V213 E250 I251 Q252 E257 L258L201-T254 HydrophobicContact CB-CG2 4.17Å; L201-T254 HydrophobicContact CD1-CG2 4.49Å; L201-T254 HydrophobicContact CD2-CG2 4.41Å; V213-T254 HydrophobicContact CG2-CG2 3.78Å; E250-T254 PolarHBondContact O-N 3.22Å; E250-T254 PolarHBondContact O-OG1 2.88Å; I251-T254 PolarHBondContact O-N 2.6Å; I251-T254 VanDerWaalsContact O-N 3.12Å; Q252-T254 VanDerWaalsContact C-N 3.32Å; Q252-T254 PolarHBondContact O-N 3.07Å; T254-E257 PolarHBondContact O-N 3.44Å; T254-L258 PolarHBondContact O-N 3.22Å
255M86.8Confident79.8Confident3 Ų361.9 Ų61.92%0.01532%0.317CS..Hα-helixtrans-62.1-46.5173.4-179.5-171.870.900111.9I251 Q252 E257 L258 L259 D284I251-M255 PolarHBondContact O-N 2.58Å; Q252-M255 PolarHBondContact O-N 2.58Å; M255-E257 VanDerWaalsContact C-N 3.28Å; M255-E257 PolarHBondContact O-N 2.89Å; M255-L258 WeakPolarHBondContact O-CB 3.2Å; M255-L258 PolarHBondContact O-N 3.25Å; M255-L258 VanDerWaalsContact O-N 3.16Å; M255-L259 HydrophobicContact CG-CD1 4.39Å; M255-L259 WeakPolarHBondContact O-CG 3.35Å; M255-L259 PolarHBondContact O-N 3.46Å; M255-D284 HydrophobicContact CE-CB 4.34Å; M255-D284 WeakPolarHBondContact CE-OD2 3.41Å; M255-D284 HydrophobicContact SD-CB 3.94Å
256M86.2Confident80.1Confident91 Ų9156.4 Ų56.445%0.44831%0.308SS..Hα-helixtrans-62.5-36.8177.1-68.1-63.4173.600111.7Q252 R253 L259 N260Q252-M256 VanDerWaalsContact O-CG 3.26Å; Q252-M256 WeakPolarHBondContact O-CG 3.34Å; Q252-M256 PolarHBondContact O-N 3.32Å; R253-M256 PolarHBondContact O-N 3.23Å; M256-L259 PolarHBondContact O-N 2.91Å; M256-L259 HydrophobicContact SD-CD1 4.08Å; M256-N260 WeakPolarHBondContact O-CB 3.42Å; M256-N260 PolarHBondContact O-N 3.38Å; M256-N260 PolarHBondContact O-ND2 2.98Å; M256-N260 PolarHBondContact O-OD1 3.17Å
257E88.1Confident80.1Confident19 Ų1956.6 Ų56.69%0.08930%0.298CS..Hα-helixtrans-64.2-43.2173.3-174.861.2-147.400111.8A210 R214 R253 T254 M255 L259 N260 Q261A210-E257 HydrophobicContact CB-CB 4.04Å; A210-E257 HydrophobicContact CB-CG 4.07Å; R214-E257 HydrophobicContact CG-CG 4.08Å; R214-E257 VanDerWaalsContact CG-OE1 3.29Å; R214-E257 WeakPolarHBondContact CG-OE1 3.41Å; R214-E257 IonicContact CZ-OE1 3.86Å; R214-E257 IonicContact CZ-OE2 2.79Å; R214-E257 IonicContact NE-OE1 2.61Å; R214-E257 PolarHBondContact NE-OE1 3.41Å; R214-E257 IonicContact NE-OE2 2.65Å; R214-E257 PolarHBondContact NE-OE2 2.83Å; R214-E257 IonicContact NH2-OE1 2.58Å; R214-E257 IonicContact NH2-OE2 3.54Å; R214-E257 PolarHBondContact NH2-OE2 3.26Å; R253-E257 PolarHBondContact O-N 3.11Å; T254-E257 PolarHBondContact O-N 3.44Å; M255-E257 VanDerWaalsContact C-N 3.28Å; M255-E257 PolarHBondContact O-N 2.89Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 3.04Å; E257-N260 PolarHBondContact O-N 3.43Å; E257-Q261 WeakPolarHBondContact O-CG 3.2Å; E257-Q261 PolarHBondContact O-N 3.34Å; E257-Q261 PolarHBondContact OE1-NE2 2.97Å
258L87.9Confident79.8Confident4 Ų459 Ų592%0.02131%0.305CS..Hα-helixtrans-59.4-42.5174.9-175.6129.4000112V213 F217 I230 I236 T254 M255 Q261 L262 L287V213-L258 HydrophobicContact CG1-CB 3.98Å; V213-L258 HydrophobicContact CG1-CD1 4.24Å; V213-L258 HydrophobicContact CG1-CG 4.41Å; F217-L258 HydrophobicContact CE2-CD1 4.49Å; F217-L258 HydrophobicContact CE2-CG 4.41Å; I230-L258 HydrophobicContact CD1-CD1 3.5Å; I236-L258 HydrophobicContact CD1-CD1 4.38Å; T254-L258 PolarHBondContact O-N 3.22Å; M255-L258 WeakPolarHBondContact O-CB 3.2Å; M255-L258 PolarHBondContact O-N 3.25Å; M255-L258 VanDerWaalsContact O-N 3.16Å; L258-Q261 PolarHBondContact O-N 3.02Å; L258-L262 HydrophobicContact CD2-CD1 3.91Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.16Å; L258-L287 HydrophobicContact CD2-CD2 4.17Å
259L85.5Confident79.6Confident1 Ų158.3 Ų58.31%0.00530%0.301CS..Hα-helixtrans-62.8-42.9174.1-70174.6000112.3M255 M256 E257 L262 D263 A286 L287M255-L259 HydrophobicContact CG-CD1 4.39Å; M255-L259 WeakPolarHBondContact O-CG 3.35Å; M255-L259 PolarHBondContact O-N 3.46Å; M256-L259 PolarHBondContact O-N 2.91Å; M256-L259 HydrophobicContact SD-CD1 4.08Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 3.04Å; L259-L262 WeakPolarHBondContact O-CB 3.34Å; L259-L262 PolarHBondContact O-N 3.48Å; L259-D263 PolarHBondContact O-N 2.93Å; L259-A286 HydrophobicContact CD1-CB 4.02Å; L259-L287 HydrophobicContact CD2-CD2 3.36Å; L259-L287 HydrophobicContact CD2-CG 3.99Å; L259-L287 HydrophobicContact CG-CD2 4.18Å
260N87.5Confident79.7Confident92 Ų9250.9 Ų50.949%0.49228%0.276SS..Hα-helixtrans-64.4-41.5178-70.9-18.5000112M256 E257 L262 D263 G264M256-N260 WeakPolarHBondContact O-CB 3.42Å; M256-N260 PolarHBondContact O-N 3.38Å; M256-N260 PolarHBondContact O-ND2 2.98Å; M256-N260 PolarHBondContact O-OD1 3.17Å; E257-N260 PolarHBondContact O-N 3.43Å; N260-L262 VanDerWaalsContact C-N 3.3Å; N260-L262 PolarHBondContact O-N 3.39Å; N260-D263 PolarHBondContact O-N 3.34Å; N260-G264 PolarHBondContact O-N 3.16Å
261Q86Confident80.1Confident40 Ų4049.5 Ų49.519%0.18727%0.271CS..Hα-helixtrans-62.2-41.4174.2-66.7-58.7-45.700110.6V213 F217 E257 L258 G264 F265V213-Q261 HydrophobicContact CG1-CG 4.39Å; F217-Q261 HydrophobicContact CD2-CB 3.55Å; F217-Q261 HydrophobicContact CD2-CG 3.81Å; F217-Q261 HydrophobicContact CE2-CB 3.65Å; F217-Q261 HydrophobicContact CE2-CG 4.26Å; F217-Q261 HydrophobicContact CG-CB 4.12Å; F217-Q261 HydrophobicContact CG-CG 4.5Å; F217-Q261 HydrophobicContact CZ-CB 4.26Å; E257-Q261 WeakPolarHBondContact O-CG 3.2Å; E257-Q261 PolarHBondContact O-N 3.34Å; E257-Q261 PolarHBondContact OE1-NE2 2.97Å; L258-Q261 PolarHBondContact O-N 3.02Å; Q261-G264 PolarHBondContact O-N 3.43Å; Q261-F265 VanDerWaalsContact C-CE2 3.46Å; Q261-F265 WeakPolarHBondContact O-CD2 3.43Å; Q261-F265 WeakPolarHBondContact O-CE2 3.36Å; Q261-F265 PolarHBondContact O-N 3.46Å
262L82.5Confident80.3Confident3 Ų348.5 Ų48.52%0.01627%0.265CS..Hα-helixtrans-63-42.9176.9-78.5177.5000114.3K166 F217 L258 L259 N260 G264 F265 L273K166-L262 PolarHBondContact NZ-O 3.03Å; F217-L262 HydrophobicContact CE1-CD2 4.41Å; F217-L262 HydrophobicContact CZ-CD2 4.22Å; F217-L262 HydrophobicContact CZ-CG 4.34Å; L258-L262 HydrophobicContact CD2-CD1 3.91Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.16Å; L259-L262 WeakPolarHBondContact O-CB 3.34Å; L259-L262 PolarHBondContact O-N 3.48Å; N260-L262 VanDerWaalsContact C-N 3.3Å; N260-L262 PolarHBondContact O-N 3.39Å; L262-G264 VanDerWaalsContact C-N 3.34Å; L262-F265 HydrophobicContact CD2-CD2 4.23Å; L262-F265 HydrophobicContact CD2-CE2 4.07Å; L262-F265 WeakPolarHBondContact O-CD2 3.48Å; L262-L273 HydrophobicContact CD1-CD2 3.6Å; L262-L273 HydrophobicContact CD2-CB 4.28Å; L262-L273 HydrophobicContact CD2-CD2 3.62Å; L262-L273 HydrophobicContact CG-CD2 4.1Å
263D79.4Confident80.6Confident69 Ų6945.4 Ų45.437%0.36925%0.251SS..Hα-helixtrans-69.8-35.6178.2-71.3-19.8000111.1L259 N260 F265 R292L259-D263 PolarHBondContact O-N 2.93Å; N260-D263 PolarHBondContact O-N 3.34Å; D263-F265 VanDerWaalsContact C-N 3.28Å; D263-F265 PolarHBondContact O-N 2.92Å; D263-R292 WeakPolarHBondContact OD1-CG 3.41Å; D263-R292 IonicContact OD1-CZ 3.15Å; D263-R292 IonicContact OD1-NE 3.72Å; D263-R292 PolarHBondContact OD1-NE 3.02Å; D263-R292 IonicContact OD2-CZ 3.63Å; D263-R292 IonicContact OD2-NE 2.67Å; D263-R292 PolarHBondContact OD2-NE 2.83Å; D263-R292 VanDerWaalsContact OD2-NE 3.15Å; D263-R292 IonicContact OD2-NH2 2.73Å; D263-R292 PolarHBondContact OD2-NH2 3.21Å
264G71Confident81Confident62 Ų6238.2 Ų38.264%0.63922%0.223SC*.THydrogen-bonded Turntrans-74.4-3.9-178.900000116.1N260 Q261 L262N260-G264 PolarHBondContact O-N 3.16Å; Q261-G264 PolarHBondContact O-N 3.43Å; L262-G264 VanDerWaalsContact C-N 3.34Å
265F69.4Low81.2Confident25 Ų2537.8 Ų37.811%0.1122%0.221CC..SBendtrans-67.5129.6177.4-77.1-65.8000111.6F217 R221 Q261 L262 D263 V267 A269F217-F265 HydrophobicContact CB-CZ 4.22Å; F217-F265 HydrophobicContact CD1-CE1 4.18Å; F217-F265 AromaticContact CD1-CE2 3.7Å; F217-F265 HydrophobicContact CD1-CE2 3.7Å; F217-F265 AromaticContact CD1-CZ 3.15Å; F217-F265 HydrophobicContact CD1-CZ 3.15Å; F217-F265 AromaticContact CE1-CE2 3.46Å; F217-F265 HydrophobicContact CE1-CE2 3.46Å; F217-F265 VanDerWaalsContact CE1-CE2 3.46Å; F217-F265 AromaticContact CE1-CZ 3.46Å; F217-F265 HydrophobicContact CE1-CZ 3.46Å; F217-F265 VanDerWaalsContact CE1-CZ 3.46Å; F217-F265 HydrophobicContact CG-CE2 4.49Å; F217-F265 AromaticContact CG-CZ 3.84Å; F217-F265 HydrophobicContact CG-CZ 3.84Å; F217-F265 HydrophobicContact CZ-CE2 4.18Å; F217-F265 HydrophobicContact CZ-CZ 4.42Å; R221-F265 HydrophobicContact CG-CE1 4.46Å; Q261-F265 VanDerWaalsContact C-CE2 3.46Å; Q261-F265 WeakPolarHBondContact O-CD2 3.43Å; Q261-F265 WeakPolarHBondContact O-CE2 3.36Å; Q261-F265 PolarHBondContact O-N 3.46Å; L262-F265 HydrophobicContact CD2-CD2 4.23Å; L262-F265 HydrophobicContact CD2-CE2 4.07Å; L262-F265 WeakPolarHBondContact O-CD2 3.48Å; D263-F265 VanDerWaalsContact C-N 3.28Å; D263-F265 PolarHBondContact O-N 2.92Å; F265-V267 PolarHBondContact O-N 2.82Å; F265-A269 HydrophobicContact CD1-CB 4.17Å
266P68.3Low81.5Confident89 Ų8937.7 Ų37.758%0.57822%0.22SC*.  trans-59.4136.5162.925.8-29.6000107.7N268 A269P266-N268 PolarHBondContact O-N 3.38Å; P266-A269 HydrophobicContact CG-CB 4.19Å; P266-A269 VanDerWaalsContact O-CB 3.29Å; P266-A269 WeakPolarHBondContact O-CB 3.48Å; P266-A269 PolarHBondContact O-N 2.91Å
267V63.3Low81.8Confident62 Ų6233.3 Ų33.338%0.37620%0.199SC..THydrogen-bonded Turntrans-54.6-24.4-176.4177.10000112.7I163 F265I163-V267 HydrophobicContact CB-CG1 4.12Å; I163-V267 HydrophobicContact CG1-CG1 4.01Å; I163-V267 HydrophobicContact CG2-CG1 3.44Å; I163-V267 VanDerWaalsContact CG2-CG1 3.44Å; F265-V267 PolarHBondContact O-N 2.82Å
268N60.9Low81.9Confident129 Ų12935.4 Ų35.469%0.6921%0.211SC*.THydrogen-bonded Turntrans-93.211.8-178.9-59.6-13.7000113.7P266P266-N268 PolarHBondContact O-N 3.38Å
269A70.3Confident81.9Confident21 Ų2141.3 Ų41.317%0.17423%0.233CC..  trans-68.4134.8177.100000111.1F265 P266 V271F265-A269 HydrophobicContact CD1-CB 4.17Å; P266-A269 HydrophobicContact CG-CB 4.19Å; P266-A269 VanDerWaalsContact O-CB 3.29Å; P266-A269 WeakPolarHBondContact O-CB 3.48Å; P266-A269 PolarHBondContact O-N 2.91Å; A269-V271 PolarHBondContact O-N 2.88Å
270D82.6Confident82Confident45 Ų4543.4 Ų43.424%0.24125%0.246CC..SBendtrans-80.526.8174.6-67.9-16.9000112.8K154 A224 P225 S226K154-D270 WeakPolarHBondContact CE-OD1 3.31Å; K154-D270 IonicContact NZ-OD1 2.74Å; K154-D270 PolarHBondContact NZ-OD1 3Å; K154-D270 IonicContact NZ-OD2 3.43Å; K154-D270 PolarHBondContact NZ-OD2 3.45Å; A224-D270 HydrophobicContact CB-CB 4.1Å; P225-D270 WeakPolarHBondContact CA-O 3.36Å; P225-D270 HydrophobicContact CB-CB 4.14Å; S226-D270 PolarHBondContact N-O 3.2Å
271V87.3Confident81.9Confident15 Ų1544.5 Ų44.59%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-111.3126.3-179.8-1750000108.3A220 R221 S226 I228 A269A220-V271 HydrophobicContact CB-CG1 3.93Å; A220-V271 HydrophobicContact CB-CG2 4.42Å; R221-V271 HydrophobicContact CG-CG2 4.35Å; S226-V271 WeakPolarHBondContact O-CA 3.43Å; I228-V271 HydrophobicContact CD1-CG1 3.79Å; I228-V271 HydrophobicContact CG1-CG1 4.23Å; A269-V271 PolarHBondContact O-N 2.88Å
272R88.2Confident82Confident17 Ų1744.1 Ų44.16%0.06425%0.25CS..EExtended strand (participates in β ladder)trans-119.2139.4179.8-59.8-61.5173.5141.8-26.7111.2A146 I147 P150 I151 P164 S165 S226 I227 I228A146-R272 PolarHBondContact O-NH1 3.29Å; A146-R272 VanDerWaalsContact O-NH1 3.1Å; I147-R272 HydrophobicContact CG2-CB 4.34Å; I147-R272 HydrophobicContact CG2-CG 4.33Å; P150-R272 VanDerWaalsContact CB-NH1 3.31Å; P150-R272 VanDerWaalsContact CG-NH1 3.26Å; I151-R272 HydrophobicContact CD1-CG 4.42Å; P164-R272 VanDerWaalsContact CB-NH2 3.33Å; S165-R272 PolarHBondContact O-NH1 3.09Å; S226-R272 PolarHBondContact O-N 3.22Å; I227-R272 CarbonylContact C-O 3.6Å; I227-R272 WeakPolarHBondContact CA-O 3.37Å; I227-R272 HydrophobicContact CG1-CB 4.48Å; I228-R272 PolarHBondContact N-O 3.45Å
273L90.3Very high82.1Confident5 Ų544.3 Ų44.33%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-104.6131.9176.4-176.667.1000111.4K166 G167 V168 I228 I230 L262K166-L273 PolarHBondContact O-N 3.3Å; G167-L273 CarbonylContact C-O 3.44Å; G167-L273 WeakPolarHBondContact CA-O 3.24Å; V168-L273 PolarHBondContact N-O 2.7Å; I228-L273 HydrophobicContact CB-CD1 3.89Å; I228-L273 HydrophobicContact CG2-CD1 3.72Å; I228-L273 CarbonylContact O-C 3.58Å; I228-L273 WeakPolarHBondContact O-CA 3.28Å; I230-L273 HydrophobicContact CD1-CD1 3.7Å; I230-L273 HydrophobicContact CG1-CD1 3.87Å; L262-L273 HydrophobicContact CD1-CD2 3.6Å; L262-L273 HydrophobicContact CD2-CB 4.28Å; L262-L273 HydrophobicContact CD2-CD2 3.62Å; L262-L273 HydrophobicContact CG-CD2 4.1Å
274I92Very high82.3Confident0 Ų042.3 Ų42.30%024%0.241CC..EExtended strand (participates in β ladder)trans-118.4122.8167.2-53.6176.9000107.8I147 V168 L170 A182 I227 I228 F229 I230I147-I274 HydrophobicContact CD1-CD1 3.36Å; I147-I274 HydrophobicContact CD1-CG1 3.43Å; I147-I274 VanDerWaalsContact CD1-CG1 3.43Å; V168-I274 CarbonylContact O-C 3.49Å; V168-I274 WeakPolarHBondContact O-CA 3.38Å; L170-I274 HydrophobicContact CD1-CG2 3.88Å; L170-I274 HydrophobicContact CG-CG2 4.12Å; A182-I274 HydrophobicContact CB-CD1 4.29Å; A182-I274 HydrophobicContact CB-CG2 4.29Å; I227-I274 HydrophobicContact CG2-CD1 3.67Å; I227-I274 HydrophobicContact CG2-CG1 3.99Å; I228-I274 PolarHBondContact O-N 3.3Å; F229-I274 CarbonylContact C-O 3.57Å; F229-I274 WeakPolarHBondContact CA-O 3.27Å; F229-I274 HydrophobicContact CD2-CB 3.9Å; F229-I274 HydrophobicContact CD2-CG2 3.7Å; F229-I274 HydrophobicContact CE2-CG2 4.05Å; I230-I274 PolarHBondContact N-O 2.82Å
275C92.3Very high82.8Confident1 Ų143.6 Ų43.61%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-109.2139.2172.8-66.30000109.9V168 L169 L170 I230 V233V168-C275 PolarHBondContact O-N 3.07Å; L169-C275 CarbonylContact C-O 3.56Å; L169-C275 WeakPolarHBondContact CA-O 3.39Å; L169-C275 HydrophobicContact CD1-CB 3.7Å; L170-C275 PolarHBondContact N-O 3.49Å; I230-C275 CarbonylContact O-C 3.59Å; I230-C275 WeakPolarHBondContact O-CA 3.48Å; V233-C275 HydrophobicContact CB-CB 4.46Å; V233-C275 HydrophobicContact CG1-CB 4.31Å
276A93.1Very high83.5Confident1 Ų143.3 Ų43.31%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-118130.6170.400000110.5L170 K178 F229 I230 E232 V233L170-A276 WeakPolarHBondContact O-CA 3.36Å; K178-A276 HydrophobicContact CB-CB 4.28Å; K178-A276 HydrophobicContact CD-CB 4.44Å; F229-A276 HydrophobicContact CE2-CB 3.93Å; F229-A276 HydrophobicContact CZ-CB 3.98Å; I230-A276 PolarHBondContact O-N 3.39Å; E232-A276 PolarHBondContact N-O 3.06Å; V233-A276 PolarHBondContact N-O 3.26Å; V233-A276 VanDerWaalsContact N-O 3.11Å
277T92Very high84.1Confident0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-131.2141.4172.6-179.40000110.8L169 L170 Y171 K178 R279 V280L169-T277 HydrophobicContact CD1-CG2 3.9Å; L169-T277 HydrophobicContact CG-CG2 4.43Å; L170-T277 PolarHBondContact O-N 3.46Å; Y171-T277 WeakPolarHBondContact CA-O 3.4Å; K178-T277 PolarHBondContact NZ-O 3.33Å; T277-R279 PolarHBondContact OG1-N 3.33Å; T277-R279 PolarHBondContact OG1-O 3.45Å; T277-V280 HydrophobicContact CG2-CG2 4.01Å
278N91.1Very high85Confident63 Ų6338.2 Ų38.234%0.33721%0.205SC..SBendtrans-86.2-18169.4-64.3-33.9000112.6G172 K178G172-N278 WeakPolarHBondContact O-CA 3.44Å; K178-N278 PolarHBondContact NZ-OD1 3.27Å
279R86.2Confident86Confident127 Ų12740.1 Ų40.148%0.47920%0.203SC..  trans-135.2102.3-172.8-69.6-170.565.9177.90.7110T277 D281 I282T277-R279 PolarHBondContact OG1-N 3.33Å; T277-R279 PolarHBondContact OG1-O 3.45Å; R279-D281 WeakPolarHBondContact CA-OD1 3.22Å; R279-D281 VanDerWaalsContact CB-OD1 3.27Å; R279-D281 WeakPolarHBondContact CB-OD1 3.47Å; R279-D281 IonicContact CZ-OD2 2.89Å; R279-D281 IonicContact NE-OD1 2.75Å; R279-D281 IonicContact NE-OD2 3.55Å; R279-D281 IonicContact NH2-OD2 3.19Å; R279-D281 PolarHBondContact NH2-OD2 2.95Å; R279-I282 HydrophobicContact CB-CD1 3.68Å; R279-I282 HydrophobicContact CB-CG1 3.74Å; R279-I282 HydrophobicContact CG-CD1 4.45Å
280V87.7Confident86.3Confident46 Ų4644.1 Ų44.128%0.27923%0.23SC..SBendtrans-81.3-25.5179.1-161.20000111.4Y171 T277 I282 L283Y171-V280 HydrophobicContact CD1-CG2 4.44Å; Y171-V280 HydrophobicContact CD2-CG2 3.39Å; Y171-V280 HydrophobicContact CE2-CG2 4.28Å; Y171-V280 HydrophobicContact CG-CG2 3.46Å; Y171-V280 VanDerWaalsContact CG-CG2 3.46Å; T277-V280 HydrophobicContact CG2-CG2 4.01Å; V280-I282 VanDerWaalsContact C-N 3.27Å; V280-I282 PolarHBondContact O-N 2.84Å; V280-L283 WeakPolarHBondContact O-CB 3.39Å; V280-L283 PolarHBondContact O-N 3.1Å
281D87.2Confident85.7Confident114 Ų11443.5 Ų43.561%0.6123%0.234SC*.THydrogen-bonded Turntrans-58-35.3179.755.4-51.6000113.1R279R279-D281 WeakPolarHBondContact CA-OD1 3.22Å; R279-D281 VanDerWaalsContact CB-OD1 3.27Å; R279-D281 WeakPolarHBondContact CB-OD1 3.47Å; R279-D281 IonicContact CZ-OD2 2.89Å; R279-D281 IonicContact NE-OD1 2.75Å; R279-D281 IonicContact NE-OD2 3.55Å; R279-D281 IonicContact NH2-OD2 3.19Å; R279-D281 PolarHBondContact NH2-OD2 2.95Å
282I86.3Confident85.4Confident32 Ų3244.3 Ų44.316%0.16424%0.235CC..THydrogen-bonded Turntrans-90.9-7.8-177.960.9-179.4000113.9D234 M238 S239 R279 V280D234-I282 HydrophobicContact CB-CD1 3.7Å; D234-I282 HydrophobicContact CB-CG1 4.11Å; M238-I282 WeakPolarHBondContact CA-O 3.4Å; S239-I282 PolarHBondContact N-O 2.82Å; R279-I282 HydrophobicContact CB-CD1 3.68Å; R279-I282 HydrophobicContact CB-CG1 3.74Å; R279-I282 HydrophobicContact CG-CD1 4.45Å; V280-I282 VanDerWaalsContact C-N 3.27Å; V280-I282 PolarHBondContact O-N 2.84Å
283L84.6Confident85.2Confident8 Ų843.7 Ų43.74%0.04223%0.233CC..BIsolated β-bridgetrans-74.3139-172.8-162.271.9000111.5L169 V233 G237 V280 L287 L288L169-L283 HydrophobicContact CD1-CD2 4.48Å; L169-L283 HydrophobicContact CD2-CD2 3.97Å; V233-L283 HydrophobicContact CG1-CD1 3.97Å; G237-L283 CarbonylContact O-C 3.56Å; G237-L283 WeakPolarHBondContact O-CA 3.22Å; V280-L283 WeakPolarHBondContact O-CB 3.39Å; V280-L283 PolarHBondContact O-N 3.1Å; L283-L287 HydrophobicContact CD1-CD1 3.71Å; L283-L287 HydrophobicContact CD2-CB 4.3Å; L283-L287 HydrophobicContact CD2-CD1 4.46Å; L283-L287 HydrophobicContact CG-CB 4.44Å; L283-L287 HydrophobicContact CG-CD1 3.99Å; L283-L288 HydrophobicContact CD2-CD2 3.92Å; L283-L288 HydrophobicContact CD2-CG 4.13Å
284D83.6Confident84.8Confident27 Ų2746.2 Ų46.214%0.14425%0.247CC..  trans-60.3125.8176.3-169.1-27.3000110.5G237 M255 A286 L287G237-D284 PolarHBondContact O-N 2.97Å; M255-D284 HydrophobicContact CE-CB 4.34Å; M255-D284 WeakPolarHBondContact CE-OD2 3.41Å; M255-D284 HydrophobicContact SD-CB 3.94Å; D284-A286 PolarHBondContact O-N 3.36Å; D284-A286 VanDerWaalsContact OD1-CB 3.22Å; D284-A286 WeakPolarHBondContact OD1-CB 3.43Å; D284-A286 PolarHBondContact OD1-N 2.92Å; D284-L287 PolarHBondContact O-N 3.47Å
285P83.4Confident84.6Confident89 Ų8950.9 Ų50.958%0.57826%0.264SS*.THydrogen-bonded Turntrans-56.2-20.7174.523.3-35.4000113.5L287 L288 R289P285-L287 VanDerWaalsContact C-N 3.28Å; P285-L287 PolarHBondContact O-N 3.43Å; P285-L288 PolarHBondContact O-N 2.71Å; P285-L288 VanDerWaalsContact O-N 3.16Å; P285-R289 PolarHBondContact O-N 2.92Å
286A82.4Confident84.5Confident19 Ų1955.5 Ų55.516%0.15728%0.284CS..THydrogen-bonded Turntrans-61-33.8173.400000112.9L259 D284 L288 R292L259-A286 HydrophobicContact CD1-CB 4.02Å; D284-A286 PolarHBondContact O-N 3.36Å; D284-A286 VanDerWaalsContact OD1-CB 3.22Å; D284-A286 WeakPolarHBondContact OD1-CB 3.43Å; D284-A286 PolarHBondContact OD1-N 2.92Å; A286-L288 VanDerWaalsContact C-N 3.34Å; A286-R292 VanDerWaalsContact O-CD 3.31Å; A286-R292 WeakPolarHBondContact O-CD 3.5Å; A286-R292 PolarHBondContact O-NH1 2.8Å
287L82.3Confident84.5Confident2 Ų255.5 Ų55.51%0.0128%0.284CS..THydrogen-bonded Turntrans-73-29.9175.5-75.2163.5000111.8V233 L258 L259 L283 D284 P285 R289 I293V233-L287 HydrophobicContact CG2-CD1 4.5Å; L258-L287 HydrophobicContact CD2-CD2 4.17Å; L259-L287 HydrophobicContact CD2-CD2 3.36Å; L259-L287 HydrophobicContact CD2-CG 3.99Å; L259-L287 HydrophobicContact CG-CD2 4.18Å; L283-L287 HydrophobicContact CD1-CD1 3.71Å; L283-L287 HydrophobicContact CD2-CB 4.3Å; L283-L287 HydrophobicContact CD2-CD1 4.46Å; L283-L287 HydrophobicContact CG-CB 4.44Å; L283-L287 HydrophobicContact CG-CD1 3.99Å; D284-L287 PolarHBondContact O-N 3.47Å; P285-L287 VanDerWaalsContact C-N 3.28Å; P285-L287 PolarHBondContact O-N 3.43Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 2.98Å; L287-I293 HydrophobicContact CB-CD1 4.27Å; L287-I293 HydrophobicContact CD2-CD1 4.42Å; L287-I293 WeakPolarHBondContact O-CB 3.13Å
288L81.8Confident84.5Confident41 Ų4160.8 Ų60.822%0.21531%0.309CS..THydrogen-bonded Turntrans-84.2-1.6-174.1-67.1176.3000114.4L169 L283 P285 A286 K296L169-L288 HydrophobicContact CD2-CD2 3.59Å; L283-L288 HydrophobicContact CD2-CD2 3.92Å; L283-L288 HydrophobicContact CD2-CG 4.13Å; P285-L288 PolarHBondContact O-N 2.71Å; P285-L288 VanDerWaalsContact O-N 3.16Å; A286-L288 VanDerWaalsContact C-N 3.34Å; L288-K296 HydrophobicContact CD2-CD 4.16Å; L288-K296 WeakPolarHBondContact O-CE 3.31Å; L288-K296 PolarHBondContact O-NZ 3.36Å
289R82.4Confident84.6Confident169 Ų16957.8 Ų57.864%0.63829%0.293SS*.SBendtrans-77.2138-179.6-170.3-179.1-70.4168.6-2.6111.1P285 L287 R292P285-R289 PolarHBondContact O-N 2.92Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 2.98Å; R289-R292 PolarHBondContact O-N 2.85Å
290S74.6Confident84.8Confident106 Ų10654.3 Ų54.374%0.74129%0.287SS*.THydrogen-bonded Turntrans-56.3137.8174.2-460000111.4
291G71.6Confident84.9Confident31 Ų3155.4 Ų55.432%0.3229%0.289SS..THydrogen-bonded Turntrans103.6-10-173.200000114.4K166 D294K166-G291 WeakPolarHBondContact CD-O 3.48Å; K166-G291 PolarHBondContact NZ-O 2.8Å; G291-D294 WeakPolarHBondContact CA-OD1 3.33Å; G291-D294 PolarHBondContact N-OD1 3.25Å
292R80.4Confident85.2Confident33 Ų3350.7 Ų50.713%0.12527%0.265CS..THydrogen-bonded Turntrans-117.9-74.7176.2-67.7161.5173.6-168.6-2.1110G167 D263 A286 R289G167-R292 PolarHBondContact N-O 3.08Å; D263-R292 WeakPolarHBondContact OD1-CG 3.41Å; D263-R292 IonicContact OD1-CZ 3.15Å; D263-R292 IonicContact OD1-NE 3.72Å; D263-R292 PolarHBondContact OD1-NE 3.02Å; D263-R292 IonicContact OD2-CZ 3.63Å; D263-R292 IonicContact OD2-NE 2.67Å; D263-R292 PolarHBondContact OD2-NE 2.83Å; D263-R292 VanDerWaalsContact OD2-NE 3.15Å; D263-R292 IonicContact OD2-NH2 2.73Å; D263-R292 PolarHBondContact OD2-NH2 3.21Å; A286-R292 VanDerWaalsContact O-CD 3.31Å; A286-R292 WeakPolarHBondContact O-CD 3.5Å; A286-R292 PolarHBondContact O-NH1 2.8Å; R289-R292 PolarHBondContact O-N 2.85Å
293I83.8Confident85.4Confident3 Ų355 Ų552%0.01529%0.289CS..SBendtrans-111.897.1174.6-56.6179.4000107.2L169 L287L169-I293 HydrophobicContact CB-CD1 4.46Å; L169-I293 HydrophobicContact CB-CG2 3.42Å; L169-I293 VanDerWaalsContact CB-CG2 3.42Å; L287-I293 HydrophobicContact CB-CD1 4.27Å; L287-I293 HydrophobicContact CD2-CD1 4.42Å; L287-I293 WeakPolarHBondContact O-CB 3.13Å
294D82.6Confident85.6Confident58 Ų5859.4 Ų59.431%0.3131%0.309SS..  trans-83.3-35-173.1-56.2-46.3000111.9S165 K166 G167 G291S165-D294 WeakPolarHBondContact CA-OD2 3.49Å; K166-D294 PolarHBondContact N-OD2 2.99Å; G167-D294 PolarHBondContact O-N 2.97Å; G291-D294 WeakPolarHBondContact CA-OD1 3.33Å; G291-D294 PolarHBondContact N-OD1 3.25Å
295R87.8Confident86Confident99 Ų9963.7 Ų63.737%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-109126.6-175.6-59.7-69.8-83.4-177.9-7.6110.2A146 G167 V168 L169A146-R295 HydrophobicContact CB-CG 4.12Å; G167-R295 PolarHBondContact O-N 3.04Å; V168-R295 CarbonylContact C-O 3.56Å; V168-R295 WeakPolarHBondContact CA-O 3.38Å; V168-R295 HydrophobicContact CG1-CB 4.23Å; V168-R295 HydrophobicContact CG2-CB 4.22Å; L169-R295 PolarHBondContact N-O 3.47Å
296K90.6Very high86.5Confident97 Ų9759.8 Ų59.842%0.42231%0.311SS..EExtended strand (participates in β ladder)trans-118.8107.6179.3-58.4174.1-172.31730107.2L169 Y171 L288L169-K296 CarbonylContact O-C 3.57Å; L169-K296 WeakPolarHBondContact O-CA 3.39Å; Y171-K296 HydrophobicContact CE1-CB 3.89Å; L288-K296 HydrophobicContact CD2-CD 4.16Å; L288-K296 WeakPolarHBondContact O-CE 3.31Å; L288-K296 PolarHBondContact O-NZ 3.36Å
297I92.1Very high87Confident2 Ų260 Ų601%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-104.4115.9-176.3-53-178.4000108Q139 E142 L143 V168 L169 L170 Y171Q139-I297 HydrophobicContact CB-CG2 3.82Å; Q139-I297 HydrophobicContact CG-CG2 3.69Å; E142-I297 HydrophobicContact CB-CD1 3.89Å; E142-I297 HydrophobicContact CB-CG1 4.41Å; L143-I297 HydrophobicContact CB-CD1 4.01Å; L143-I297 HydrophobicContact CD1-CD1 4.07Å; V168-I297 HydrophobicContact CG1-CD1 3.53Å; V168-I297 HydrophobicContact CG1-CG1 3.81Å; L169-I297 PolarHBondContact O-N 3.24Å; L170-I297 HydrophobicContact CD2-CB 3.89Å; L170-I297 HydrophobicContact CD2-CD1 4.14Å; L170-I297 HydrophobicContact CD2-CG1 4.41Å; L170-I297 HydrophobicContact CD2-CG2 4.36Å; Y171-I297 VanDerWaalsContact CD1-O 3.31Å; Y171-I297 WeakPolarHBondContact CD1-O 3.46Å; Y171-I297 PolarHBondContact N-O 2.93Å
298E92.5Very high87.5Confident110 Ų11060.9 Ų60.951%0.51432%0.315SS..EExtended strand (participates in β ladder)trans-80.1131.5172.1-169.4174.917200110Q139 Y171 P300Q139-E298 WeakPolarHBondContact CG-O 3.08Å; Q139-E298 PolarHBondContact NE2-O 3.03Å; Y171-E298 HydrophobicContact CD2-CB 4.4Å; Y171-E298 HydrophobicContact CD2-CG 4.15Å; Y171-E298 HydrophobicContact CE1-CB 4.11Å; Y171-E298 HydrophobicContact CE2-CB 3.7Å; Y171-E298 HydrophobicContact CE2-CG 3.6Å; E298-P300 VanDerWaalsContact O-CD 3.32Å; E298-P300 WeakPolarHBondContact O-CD 3.43Å
299I92.6Very high88Confident0 Ų065 Ų650%033%0.327CS..  trans-105.498171.8-47.3-154.5000107.9L136 L170 Y171 P173 T176 K178 L181L136-I299 HydrophobicContact CD1-CG2 4.02Å; L136-I299 HydrophobicContact CD2-CG2 3.85Å; L170-I299 HydrophobicContact CB-CD1 4.5Å; Y171-I299 PolarHBondContact O-N 3.49Å; P173-I299 WeakPolarHBondContact CD-O 3.32Å; T176-I299 HydrophobicContact CG2-CG2 4.38Å; T176-I299 WeakPolarHBondContact OG1-CG2 3.43Å; K178-I299 HydrophobicContact CB-CD1 4.25Å; K178-I299 HydrophobicContact CG-CD1 3.49Å; K178-I299 VanDerWaalsContact CG-CD1 3.49Å; K178-I299 HydrophobicContact CG-CG1 4.17Å; L181-I299 HydrophobicContact CD1-CD1 3.38Å
300P91.1Very high88.5Confident54 Ų5457.9 Ų57.935%0.35130%0.302SS..PPolyproline II helixtrans-70.1168179.931.1-35.8000111Q139 E298Q139-P300 VanDerWaalsContact NE2-CD 3.27Å; E298-P300 VanDerWaalsContact O-CD 3.32Å; E298-P300 WeakPolarHBondContact O-CD 3.43Å
301M90.3Very high89.3Confident69 Ų6952.8 Ų52.834%0.3427%0.266SS..PPolyproline II helixtrans-61.6145.7165.8-72.9-68.8-74.800110P173 T176 N303 D335 N337P173-M301 HydrophobicContact CB-SD 4.13Å; P173-M301 HydrophobicContact CG-CG 3.81Å; P173-M301 HydrophobicContact CG-SD 3.55Å; P173-M301 VanDerWaalsContact CG-SD 3.55Å; T176-M301 HydrophobicContact CG2-SD 4.28Å; M301-N303 PolarHBondContact O-N 3.03Å; M301-D335 WeakPolarHBondContact CE-O 3.18Å; M301-N337 HydrophobicContact CE-CB 3.88Å; M301-N337 HydrophobicContact SD-CB 3.97Å
302P91.4Very high90.3Very high16 Ų1655 Ų5510%0.10427%0.268CS..PPolyproline II helixtrans-69.3128.6-175.528.9-34.9000111.3A306 R307 I310 F336P302-A306 HydrophobicContact CB-CB 3.71Å; P302-R307 HydrophobicContact CB-CG 3.94Å; P302-R307 HydrophobicContact CG-CG 3.81Å; P302-R307 PolarHBondContact O-NH1 3.48Å; P302-I310 HydrophobicContact CB-CD1 3.95Å; P302-I310 HydrophobicContact CG-CD1 4.38Å; P302-F336 WeakPolarHBondContact CD-O 3.43Å; P302-F336 WeakPolarHBondContact CG-O 3.48Å
303N90.6Very high90.9Very high123 Ų12354.2 Ų54.266%0.65827%0.266SS*.PPolyproline II helixtrans-61.6165.9169.1-67.7-16.1000111.2M301 V305 A306 R307M301-N303 PolarHBondContact O-N 3.03Å; N303-V305 VanDerWaalsContact C-N 3.29Å; N303-V305 PolarHBondContact O-N 2.95Å; N303-A306 CarbonylContact O-C 3.5Å; N303-A306 WeakPolarHBondContact O-CA 3.46Å; N303-A306 WeakPolarHBondContact O-CB 3.29Å; N303-A306 PolarHBondContact O-N 2.78Å; N303-R307 PolarHBondContact O-N 3.29Å
304E90.5Very high91.2Very high99 Ų9956.9 Ų56.946%0.46328%0.279SS..Hα-helixtrans-52.7-44.4179.4-172.5178.418000113.1A306 R307 S308 A330 S331E304-A306 VanDerWaalsContact C-N 3.33Å; E304-A306 PolarHBondContact O-N 2.85Å; E304-R307 PolarHBondContact O-N 3.37Å; E304-S308 PolarHBondContact O-N 2.93Å; E304-A330 HydrophobicContact CG-CB 4.18Å; E304-A330 WeakPolarHBondContact O-CB 3.47Å; E304-S331 VanDerWaalsContact OE1-CB 3.31Å; E304-S331 WeakPolarHBondContact OE1-CB 3.47Å
305V92.2Very high91.6Very high118 Ų11854.4 Ų54.472%0.71527%0.266SS*.Hα-helixtrans-63.6-37.8175.1-176.90000111.9N303 S308 R309N303-V305 VanDerWaalsContact C-N 3.29Å; N303-V305 PolarHBondContact O-N 2.95Å; V305-S308 PolarHBondContact O-OG 2.85Å; V305-R309 WeakPolarHBondContact O-CB 2.92Å; V305-R309 PolarHBondContact O-N 2.98Å
306A92.2Very high91.7Very high7 Ų757 Ų576%0.05828%0.276CS..Hα-helixtrans-68.8-40.6176.700000111.2P302 N303 E304 R309 I310P302-A306 HydrophobicContact CB-CB 3.71Å; N303-A306 CarbonylContact O-C 3.5Å; N303-A306 WeakPolarHBondContact O-CA 3.46Å; N303-A306 WeakPolarHBondContact O-CB 3.29Å; N303-A306 PolarHBondContact O-N 2.78Å; E304-A306 VanDerWaalsContact C-N 3.33Å; E304-A306 PolarHBondContact O-N 2.85Å; A306-R309 WeakPolarHBondContact O-CB 3.04Å; A306-R309 PolarHBondContact O-N 3.29Å; A306-I310 WeakPolarHBondContact O-CD1 3.46Å; A306-I310 WeakPolarHBondContact O-CG1 3.35Å; A306-I310 PolarHBondContact O-N 2.95Å
307R93.2Very high91.5Very high22 Ų2261.6 Ų61.68%0.08330%0.296CS..Hα-helixtrans-62.3-46177-69.3-167.9-60.6-98.511.4112P302 N303 E304 R309 I310 M311 A330 A333P302-R307 HydrophobicContact CB-CG 3.94Å; P302-R307 HydrophobicContact CG-CG 3.81Å; P302-R307 PolarHBondContact O-NH1 3.48Å; N303-R307 PolarHBondContact O-N 3.29Å; E304-R307 PolarHBondContact O-N 3.37Å; R307-R309 VanDerWaalsContact C-N 3.29Å; R307-R309 PolarHBondContact O-N 3.33Å; R307-I310 PolarHBondContact O-N 3.15Å; R307-M311 WeakPolarHBondContact O-CG 3.43Å; R307-M311 PolarHBondContact O-N 3.07Å; R307-A330 HydrophobicContact CB-CB 4.04Å; R307-A330 PolarHBondContact NE-O 2.79Å; R307-A330 PolarHBondContact NH2-O 3.11Å; R307-A333 VanDerWaalsContact CD-O 3.23Å; R307-A333 WeakPolarHBondContact CD-O 3.01Å; R307-A333 PolarHBondContact NE-O 2.81Å
308S92.6Very high91.5Very high22 Ų2264.7 Ų64.715%0.15431%0.311CS..Hα-helixtrans-60.3-41.8176.870.20000111.2E304 V305 M311 Q312 F326E304-S308 PolarHBondContact O-N 2.93Å; V305-S308 PolarHBondContact O-OG 2.85Å; S308-M311 PolarHBondContact O-N 3.23Å; S308-Q312 VanDerWaalsContact O-CB 3.3Å; S308-Q312 WeakPolarHBondContact O-CB 3.49Å; S308-Q312 PolarHBondContact O-N 3.43Å; S308-F326 WeakPolarHBondContact CB-O 3.39Å
309R92.5Very high91.5Very high127 Ų12768.7 Ų68.748%0.47932%0.322SS..Hα-helixtrans-62-46.5175.3-164.671.8169.9175.6-5.8112.3V305 A306 R307 Q312 L313V305-R309 WeakPolarHBondContact O-CB 2.92Å; V305-R309 PolarHBondContact O-N 2.98Å; A306-R309 WeakPolarHBondContact O-CB 3.04Å; A306-R309 PolarHBondContact O-N 3.29Å; R307-R309 VanDerWaalsContact C-N 3.29Å; R307-R309 PolarHBondContact O-N 3.33Å; R309-Q312 PolarHBondContact O-N 2.75Å; R309-L313 HydrophobicContact CG-CD1 4.37Å; R309-L313 VanDerWaalsContact O-CG 3.25Å; R309-L313 WeakPolarHBondContact O-CG 3.5Å; R309-L313 PolarHBondContact O-N 3.35Å
310I92.9Very high91.5Very high19 Ų1970.4 Ų70.410%0.09733%0.332CS..Hα-helixtrans-62.2-45.7179.4-68.7162.1000110.7P302 A306 R307 L313 H314 C341P302-I310 HydrophobicContact CB-CD1 3.95Å; P302-I310 HydrophobicContact CG-CD1 4.38Å; A306-I310 WeakPolarHBondContact O-CD1 3.46Å; A306-I310 WeakPolarHBondContact O-CG1 3.35Å; A306-I310 PolarHBondContact O-N 2.95Å; R307-I310 PolarHBondContact O-N 3.15Å; I310-L313 PolarHBondContact O-N 3.03Å; I310-H314 PolarHBondContact O-CD2 3.15Å; I310-H314 PolarHBondContact O-N 3.47Å; I310-H314 VanDerWaalsContact O-N 3.14Å; I310-C341 HydrophobicContact CB-CB 4.39Å; I310-C341 HydrophobicContact CG2-CB 3.69Å
311M92.6Very high91.5Very high0 Ų070.6 Ų70.60%033%0.33CS..Hα-helixtrans-61.9-45.2176.8-70.2178.817800111.2R307 S308 L313 H314 A315 F326 I329 A333 C341 V344 V345R307-M311 WeakPolarHBondContact O-CG 3.43Å; R307-M311 PolarHBondContact O-N 3.07Å; S308-M311 PolarHBondContact O-N 3.23Å; M311-L313 VanDerWaalsContact C-N 3.31Å; M311-L313 PolarHBondContact O-N 3.3Å; M311-H314 PolarHBondContact O-N 2.89Å; M311-A315 VanDerWaalsContact O-CB 3.23Å; M311-A315 WeakPolarHBondContact O-CB 3.33Å; M311-A315 PolarHBondContact O-N 2.99Å; M311-F326 HydrophobicContact CB-CD1 3.9Å; M311-F326 HydrophobicContact CB-CE1 4.34Å; M311-I329 HydrophobicContact CE-CG2 4.18Å; M311-I329 HydrophobicContact SD-CB 4.37Å; M311-I329 HydrophobicContact SD-CG2 3.64Å; M311-A333 HydrophobicContact CE-CB 3.69Å; M311-C341 HydrophobicContact CE-CB 4.3Å; M311-C341 HydrophobicContact CG-CB 4.1Å; M311-V344 HydrophobicContact CE-CB 4.37Å; M311-V344 HydrophobicContact CE-CG1 4.26Å; M311-V344 HydrophobicContact CE-CG2 4.45Å; M311-V345 HydrophobicContact CB-CG2 4.17Å; M311-V345 HydrophobicContact CG-CG2 4.32Å
312Q92.5Very high91.4Very high76 Ų7673.8 Ų73.836%0.35536%0.356SS..Hα-helixtrans-59.2-41.2177.1-170.2-177.633.500111.9S308 R309 A315 R316 F326S308-Q312 VanDerWaalsContact O-CB 3.3Å; S308-Q312 WeakPolarHBondContact O-CB 3.49Å; S308-Q312 PolarHBondContact O-N 3.43Å; R309-Q312 PolarHBondContact O-N 2.75Å; Q312-A315 PolarHBondContact O-N 2.91Å; Q312-R316 WeakPolarHBondContact O-CG 3.33Å; Q312-R316 PolarHBondContact O-N 3.45Å; Q312-F326 HydrophobicContact CB-CD2 4.17Å; Q312-F326 HydrophobicContact CB-CE2 4.38Å; Q312-F326 HydrophobicContact CB-CG 4.37Å; Q312-F326 HydrophobicContact CG-CD2 4.19Å; Q312-F326 HydrophobicContact CG-CE2 4.19Å
313L91.7Very high91.4Very high18 Ų1876.9 Ų76.99%0.09438%0.378CS..Hα-helixtrans-63.7-44.9178.5-74.1167.9000112.3S131 R309 I310 M311 A315 R316S131-L313 WeakPolarHBondContact O-CD2 3.39Å; R309-L313 HydrophobicContact CG-CD1 4.37Å; R309-L313 VanDerWaalsContact O-CG 3.25Å; R309-L313 WeakPolarHBondContact O-CG 3.5Å; R309-L313 PolarHBondContact O-N 3.35Å; I310-L313 PolarHBondContact O-N 3.03Å; M311-L313 VanDerWaalsContact C-N 3.31Å; M311-L313 PolarHBondContact O-N 3.3Å; L313-A315 VanDerWaalsContact C-N 3.35Å; L313-R316 WeakPolarHBondContact O-CB 3.46Å; L313-R316 PolarHBondContact O-N 3.21Å
314H90.7Very high91.4Very high58 Ų5871.7 Ų71.727%0.26935%0.351SS..Hα-helixtrans-69.5-33.8176.5-72.3-49000112.5I310 M311 R316 K317 V345I310-H314 PolarHBondContact O-CD2 3.15Å; I310-H314 PolarHBondContact O-N 3.47Å; I310-H314 VanDerWaalsContact O-N 3.14Å; M311-H314 PolarHBondContact O-N 2.89Å; H314-R316 VanDerWaalsContact C-N 3.26Å; H314-R316 PolarHBondContact O-N 3.2Å; H314-K317 PolarHBondContact O-N 2.71Å; H314-V345 HydrophobicContact CB-CB 4.2Å; H314-V345 HydrophobicContact CB-CG1 4.08Å; H314-V345 HydrophobicContact CB-CG2 4.09Å
315A91.2Very high91.5Very high6 Ų670.7 Ų70.75%0.0535%0.348CS..Hα-helixtrans-65.5-23.2177.100000113.6M311 Q312 L313 K317 M318 V320 F326 V345M311-A315 VanDerWaalsContact O-CB 3.23Å; M311-A315 WeakPolarHBondContact O-CB 3.33Å; M311-A315 PolarHBondContact O-N 2.99Å; Q312-A315 PolarHBondContact O-N 2.91Å; L313-A315 VanDerWaalsContact C-N 3.35Å; A315-K317 PolarHBondContact O-N 3.41Å; A315-M318 PolarHBondContact O-N 2.76Å; A315-V320 HydrophobicContact CB-CG2 4.03Å; A315-F326 HydrophobicContact CB-CE1 3.92Å; A315-F326 HydrophobicContact CB-CZ 3.57Å; A315-V345 HydrophobicContact CB-CG1 4.45Å
316R89.7Confident91.5Very high153 Ų15366.6 Ų66.658%0.57732%0.321SS*.THydrogen-bonded Turntrans-56.5-25.4178.1-73178179.5179.3-0.1114.2Q312 L313 H314 M318Q312-R316 WeakPolarHBondContact O-CG 3.33Å; Q312-R316 PolarHBondContact O-N 3.45Å; L313-R316 WeakPolarHBondContact O-CB 3.46Å; L313-R316 PolarHBondContact O-N 3.21Å; H314-R316 VanDerWaalsContact C-N 3.26Å; H314-R316 PolarHBondContact O-N 3.2Å; R316-M318 VanDerWaalsContact C-N 3.3Å
317K87.4Confident91.4Very high194 Ų19468.6 Ų68.684%0.84334%0.338SS*.THydrogen-bonded Turntrans-81.8-10.2178.5-63.3-174.6-179.2-177.10113H314 A315H314-K317 PolarHBondContact O-N 2.71Å; A315-K317 PolarHBondContact O-N 3.41Å
318M91.1Very high91.4Very high68 Ų6871.7 Ų71.734%0.33535%0.353SS..SBendtrans-116.2160.1-173.5-58.1-176.3179.700111.1A315 R316 V320 V345 I360A315-M318 PolarHBondContact O-N 2.76Å; R316-M318 VanDerWaalsContact C-N 3.3Å; M318-V320 HydrophobicContact CB-CG2 4.27Å; M318-V320 PolarHBondContact O-N 2.75Å; M318-V345 HydrophobicContact CE-CG1 4.02Å; M318-V345 HydrophobicContact SD-CG1 3.78Å; M318-I360 HydrophobicContact CB-CD1 3.91Å; M318-I360 HydrophobicContact CG-CD1 4.4Å; M318-I360 HydrophobicContact SD-CD1 3.67Å
319R92.4Very high91.4Very high194 Ų19470.7 Ų70.773%0.73235%0.346SS*.  trans-84.899.7172-67.8-177.3177.8178.2-0.9109.1I360R319-I360 PolarHBondContact O-N 3.48Å
320V92Very high91.3Very high36 Ų3664.6 Ų64.622%0.21832%0.323CS..BIsolated β-bridgetrans-106.5140.8179.8-178.30000109.8A315 M318 V324 F326 I360 F365A315-V320 HydrophobicContact CB-CG2 4.03Å; M318-V320 HydrophobicContact CB-CG2 4.27Å; M318-V320 PolarHBondContact O-N 2.75Å; V320-V324 HydrophobicContact CG1-CB 3.76Å; V320-V324 HydrophobicContact CG1-CG1 4.16Å; V320-V324 HydrophobicContact CG1-CG2 3.55Å; V320-F326 HydrophobicContact CG1-CZ 4.27Å; V320-I360 HydrophobicContact CG2-CB 4.45Å; V320-I360 HydrophobicContact CG2-CD1 4.38Å; V320-F365 HydrophobicContact CG1-CE2 3.89Å; V320-F365 HydrophobicContact CG1-CZ 4.38Å; V320-F365 HydrophobicContact CG2-CE2 4.42Å; V320-F365 HydrophobicContact CG2-CZ 4.22Å
321D91.9Very high91.2Very high58 Ų5865.5 Ų65.531%0.3133%0.331SS..  trans-64.9134.6176.3-167.1-64.6000110.2S323 V324 V359 I360D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.39Å; D321-S323 VanDerWaalsContact O-N 3.09Å; D321-S323 WeakPolarHBondContact OD1-CB 3.46Å; D321-S323 PolarHBondContact OD1-N 2.74Å; D321-S323 PolarHBondContact OD1-OG 2.88Å; D321-V324 HydrophobicContact CB-CG2 4.23Å; D321-V324 WeakPolarHBondContact O-CB 3.43Å; D321-V324 VanDerWaalsContact O-CG2 3.31Å; D321-V324 WeakPolarHBondContact O-CG2 3.49Å; D321-V324 PolarHBondContact O-N 2.99Å; D321-V359 HydrophobicContact CB-CG1 3.81Å; D321-V359 VanDerWaalsContact N-CG1 3.3Å; D321-I360 WeakPolarHBondContact CB-O 3.49Å; D321-I360 PolarHBondContact N-O 3.38Å
322P89.1Confident91Very high135 Ų13570 Ų7088%0.87735%0.351SS*.THydrogen-bonded Turntrans-61-17.2178.725.3-35.4000114V324P322-V324 PolarHBondContact O-N 3.46Å
323S89.5Confident90.8Very high82 Ų8266.4 Ų66.457%0.57333%0.334SS*.THydrogen-bonded Turntrans-72.6-8.1174.262.90000114.4D321 N325D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.39Å; D321-S323 VanDerWaalsContact O-N 3.09Å; D321-S323 WeakPolarHBondContact OD1-CB 3.46Å; D321-S323 PolarHBondContact OD1-N 2.74Å; D321-S323 PolarHBondContact OD1-OG 2.88Å; S323-N325 PolarHBondContact O-N 3.49Å
324V90.4Very high90.5Very high14 Ų1471.4 Ų71.49%0.08536%0.357CS..  trans-72.1113.3-176.41770000111.7V320 D321 P322 F326 I329 H362 F365V320-V324 HydrophobicContact CG1-CB 3.76Å; V320-V324 HydrophobicContact CG1-CG1 4.16Å; V320-V324 HydrophobicContact CG1-CG2 3.55Å; D321-V324 HydrophobicContact CB-CG2 4.23Å; D321-V324 WeakPolarHBondContact O-CB 3.43Å; D321-V324 VanDerWaalsContact O-CG2 3.31Å; D321-V324 WeakPolarHBondContact O-CG2 3.49Å; D321-V324 PolarHBondContact O-N 2.99Å; P322-V324 PolarHBondContact O-N 3.46Å; V324-F326 HydrophobicContact CG1-CD1 4.37Å; V324-F326 HydrophobicContact CG1-CE1 4.1Å; V324-F326 HydrophobicContact CG1-CE2 4.27Å; V324-F326 HydrophobicContact CG1-CZ 4.04Å; V324-F326 PolarHBondContact O-N 3.37Å; V324-I329 HydrophobicContact CG1-CD1 3.59Å; V324-H362 HydrophobicContact CG2-CB 4.18Å; V324-F365 HydrophobicContact CG1-CD2 3.88Å; V324-F365 HydrophobicContact CG1-CE2 3.94Å; V324-F365 HydrophobicContact CG2-CD2 4.35Å; V324-F365 HydrophobicContact CG2-CE2 4.28Å
325N92.8Very high90.3Very high77 Ų7774.9 Ų74.941%0.41238%0.377SS..  trans-88.7101172-171.4-0.8000111.9S323 A327 E328 I329S323-N325 PolarHBondContact O-N 3.49Å; N325-A327 VanDerWaalsContact C-N 3.27Å; N325-A327 PolarHBondContact O-N 3.43Å; N325-A327 WeakPolarHBondContact OD1-CB 3.41Å; N325-A327 PolarHBondContact OD1-N 3.45Å; N325-A327 VanDerWaalsContact OD1-N 3.08Å; N325-E328 HydrophobicContact CB-CB 4.2Å; N325-E328 PolarHBondContact O-N 3.4Å; N325-I329 WeakPolarHBondContact O-CG1 3.45Å; N325-I329 PolarHBondContact O-N 2.75Å
326F92.2Very high90.2Very high32 Ų3274.7 Ų74.714%0.1438%0.375CS..Hα-helixtrans-67.9-22.5177.2-67.9-74.4000114S308 M311 Q312 A315 V320 V324 I329 A330 F365S308-F326 WeakPolarHBondContact CB-O 3.39Å; M311-F326 HydrophobicContact CB-CD1 3.9Å; M311-F326 HydrophobicContact CB-CE1 4.34Å; Q312-F326 HydrophobicContact CB-CD2 4.17Å; Q312-F326 HydrophobicContact CB-CE2 4.38Å; Q312-F326 HydrophobicContact CB-CG 4.37Å; Q312-F326 HydrophobicContact CG-CD2 4.19Å; Q312-F326 HydrophobicContact CG-CE2 4.19Å; A315-F326 HydrophobicContact CB-CE1 3.92Å; A315-F326 HydrophobicContact CB-CZ 3.57Å; V320-F326 HydrophobicContact CG1-CZ 4.27Å; V324-F326 HydrophobicContact CG1-CD1 4.37Å; V324-F326 HydrophobicContact CG1-CE1 4.1Å; V324-F326 HydrophobicContact CG1-CE2 4.27Å; V324-F326 HydrophobicContact CG1-CZ 4.04Å; V324-F326 PolarHBondContact O-N 3.37Å; F326-I329 HydrophobicContact CD1-CD1 4.29Å; F326-A330 VanDerWaalsContact O-CB 3.27Å; F326-A330 WeakPolarHBondContact O-CB 3.46Å; F326-A330 PolarHBondContact O-N 3.1Å; F326-F365 HydrophobicContact CE1-CE1 4.41Å; F326-F365 HydrophobicContact CE1-CZ 4.18Å
327A92Very high90.3Very high50 Ų5068.6 Ų68.641%0.41335%0.354SS..Hα-helixtrans-68-42.4176.700000110.6N325 A330 S331N325-A327 VanDerWaalsContact C-N 3.27Å; N325-A327 PolarHBondContact O-N 3.43Å; N325-A327 WeakPolarHBondContact OD1-CB 3.41Å; N325-A327 PolarHBondContact OD1-N 3.45Å; N325-A327 VanDerWaalsContact OD1-N 3.08Å; A327-A330 PolarHBondContact O-N 3.18Å; A327-S331 PolarHBondContact O-N 3.5Å; A327-S331 VanDerWaalsContact O-N 3.14Å
328E92.3Very high90.4Very high87 Ų8760 Ų6041%0.40732%0.321SS..Hα-helixtrans-66.8-40.6175.7-175.3173.3-169.900112N325 A330 S331 F332 H362N325-E328 HydrophobicContact CB-CB 4.2Å; N325-E328 PolarHBondContact O-N 3.4Å; E328-A330 VanDerWaalsContact C-N 3.28Å; E328-A330 PolarHBondContact O-N 2.97Å; E328-S331 PolarHBondContact O-N 3.44Å; E328-S331 PolarHBondContact O-OG 3.2Å; E328-F332 HydrophobicContact CG-CD2 4.46Å; E328-F332 HydrophobicContact CG-CE2 3.83Å; E328-F332 WeakPolarHBondContact O-CD2 3.33Å; E328-F332 PolarHBondContact O-N 3.39Å; E328-H362 IonicContact OE2-CE1 2.68Å; E328-H362 IonicContact OE2-NE2 3.77Å
329I91.6Very high90.4Very high0 Ų059.4 Ų59.40%033%0.326CS..Hα-helixtrans-63.4-37.7175-60.8161.3000111.1M311 V324 N325 F326 S331 F332 A333 F365 V369M311-I329 HydrophobicContact CE-CG2 4.18Å; M311-I329 HydrophobicContact SD-CB 4.37Å; M311-I329 HydrophobicContact SD-CG2 3.64Å; V324-I329 HydrophobicContact CG1-CD1 3.59Å; N325-I329 WeakPolarHBondContact O-CG1 3.45Å; N325-I329 PolarHBondContact O-N 2.75Å; F326-I329 HydrophobicContact CD1-CD1 4.29Å; I329-S331 VanDerWaalsContact C-N 3.28Å; I329-S331 PolarHBondContact O-N 3.03Å; I329-F332 PolarHBondContact O-N 3.05Å; I329-A333 PolarHBondContact O-N 3.25Å; I329-A333 VanDerWaalsContact O-N 3.15Å; I329-F365 HydrophobicContact CD1-CB 3.45Å; I329-F365 VanDerWaalsContact CD1-CB 3.45Å; I329-F365 HydrophobicContact CD1-CD1 4.27Å; I329-F365 HydrophobicContact CD1-CD2 3.98Å; I329-F365 HydrophobicContact CD1-CG 3.66Å; I329-F365 HydrophobicContact CG1-CB 4.01Å; I329-F365 HydrophobicContact CG2-CB 4.3Å; I329-V369 HydrophobicContact CG2-CG2 3.92Å
330A91.5Very high90.4Very high0 Ų052.3 Ų52.30%030%0.302CS..Hα-helixtrans-68.9-25.4179.200000113.6E304 R307 F326 A327 E328E304-A330 HydrophobicContact CG-CB 4.18Å; E304-A330 WeakPolarHBondContact O-CB 3.47Å; R307-A330 HydrophobicContact CB-CB 4.04Å; R307-A330 PolarHBondContact NE-O 2.79Å; R307-A330 PolarHBondContact NH2-O 3.11Å; F326-A330 VanDerWaalsContact O-CB 3.27Å; F326-A330 WeakPolarHBondContact O-CB 3.46Å; F326-A330 PolarHBondContact O-N 3.1Å; A327-A330 PolarHBondContact O-N 3.18Å; E328-A330 VanDerWaalsContact C-N 3.28Å; E328-A330 PolarHBondContact O-N 2.97Å
331S90.9Very high90.4Very high38 Ų3850.6 Ų50.627%0.26629%0.291SS..Hα-helixtrans-70.9-40.6173.880.80000110.8E304 A327 E328 I329 A333 H334E304-S331 VanDerWaalsContact OE1-CB 3.31Å; E304-S331 WeakPolarHBondContact OE1-CB 3.47Å; A327-S331 PolarHBondContact O-N 3.5Å; A327-S331 VanDerWaalsContact O-N 3.14Å; E328-S331 PolarHBondContact O-N 3.44Å; E328-S331 PolarHBondContact O-OG 3.2Å; I329-S331 VanDerWaalsContact C-N 3.28Å; I329-S331 PolarHBondContact O-N 3.03Å; S331-A333 VanDerWaalsContact C-N 3.33Å; S331-A333 PolarHBondContact O-N 3.4Å; S331-H334 PolarHBondContact O-CE1 3.41Å; S331-H334 PolarHBondContact O-ND1 3.43Å; S331-H334 PolarHBondContact O-NE2 2.82Å; S331-H334 VanDerWaalsContact O-NE2 3.08Å
332F88.9Confident90.4Very high94 Ų9452.7 Ų52.741%0.41230%0.298SS..Hα-helixtrans-68.6-28.6174.1-66.5-64.7000113.8E328 I329 H334 V369 Q373E328-F332 HydrophobicContact CG-CD2 4.46Å; E328-F332 HydrophobicContact CG-CE2 3.83Å; E328-F332 WeakPolarHBondContact O-CD2 3.33Å; E328-F332 PolarHBondContact O-N 3.39Å; I329-F332 PolarHBondContact O-N 3.05Å; F332-H334 VanDerWaalsContact C-N 3.27Å; F332-H334 PolarHBondContact O-N 3Å; F332-V369 HydrophobicContact CB-CG1 4.26Å; F332-Q373 PolarHBondContact O-NE2 2.95Å
333A87.5Confident90.6Very high0 Ų047.9 Ų47.90%027%0.269CS..SBendtrans-83.358.7-178.400000113R307 M311 I329 S331 F336R307-A333 VanDerWaalsContact CD-O 3.23Å; R307-A333 WeakPolarHBondContact CD-O 3.01Å; R307-A333 PolarHBondContact NE-O 2.81Å; M311-A333 HydrophobicContact CE-CB 3.69Å; I329-A333 PolarHBondContact O-N 3.25Å; I329-A333 VanDerWaalsContact O-N 3.15Å; S331-A333 VanDerWaalsContact C-N 3.33Å; S331-A333 PolarHBondContact O-N 3.4Å; A333-F336 HydrophobicContact CB-CB 4.38Å; A333-F336 HydrophobicContact CB-CD2 3.81Å; A333-F336 HydrophobicContact CB-CE2 4.29Å; A333-F336 HydrophobicContact CB-CG 4.04Å
334H85.7Confident90.9Very high123 Ų12344 Ų4457%0.56924%0.242SC*.THydrogen-bonded Turntrans-61.2136.8177.7-59.8-69.9000111.9S331 F332 F336S331-H334 PolarHBondContact O-CE1 3.41Å; S331-H334 PolarHBondContact O-ND1 3.43Å; S331-H334 PolarHBondContact O-NE2 2.82Å; S331-H334 VanDerWaalsContact O-NE2 3.08Å; F332-H334 VanDerWaalsContact C-N 3.27Å; F332-H334 PolarHBondContact O-N 3Å; H334-F336 WeakPolarHBondContact O-CD1 3.28Å; H334-F336 PolarHBondContact O-N 2.89Å; H334-F336 VanDerWaalsContact O-N 3.13Å
335D86Confident91Very high132 Ų13243.3 Ų43.371%0.70624%0.238SC*.THydrogen-bonded Turntrans56.822.3176.8-57.5-31.8000116.5M301M301-D335 WeakPolarHBondContact CE-O 3.18Å
336F90Very high91.1Very high2 Ų243.5 Ų43.51%0.00924%0.238CC..  trans-76.7131.4178.6-81.822.8000112P302 A333 H334 Q340 V344 V372 Q373 Q376P302-F336 WeakPolarHBondContact CD-O 3.43Å; P302-F336 WeakPolarHBondContact CG-O 3.48Å; A333-F336 HydrophobicContact CB-CB 4.38Å; A333-F336 HydrophobicContact CB-CD2 3.81Å; A333-F336 HydrophobicContact CB-CE2 4.29Å; A333-F336 HydrophobicContact CB-CG 4.04Å; H334-F336 WeakPolarHBondContact O-CD1 3.28Å; H334-F336 PolarHBondContact O-N 2.89Å; H334-F336 VanDerWaalsContact O-N 3.13Å; F336-Q340 VanDerWaalsContact CA-OE1 3.24Å; F336-Q340 HydrophobicContact CB-CB 4.08Å; F336-Q340 HydrophobicContact CD2-CB 3.92Å; F336-Q340 HydrophobicContact CE2-CB 4.49Å; F336-Q340 HydrophobicContact CG-CB 3.98Å; F336-V344 HydrophobicContact CD2-CG2 3.9Å; F336-V344 HydrophobicContact CE2-CG2 3.47Å; F336-V344 VanDerWaalsContact CE2-CG2 3.47Å; F336-V372 HydrophobicContact CE2-CB 4.2Å; F336-V372 HydrophobicContact CE2-CG1 3.71Å; F336-V372 HydrophobicContact CZ-CB 4.25Å; F336-V372 HydrophobicContact CZ-CG1 3.78Å; F336-Q373 HydrophobicContact CE1-CG 3.72Å; F336-Q373 HydrophobicContact CZ-CG 3.51Å; F336-Q376 VanDerWaalsContact CE1-NE2 3.3Å
337N90.8Very high91.2Very high25 Ų2544.4 Ų44.413%0.13424%0.242CC..  trans-78.3169.116868.520.2000111.2P174 M301 A339 Q340 C341P174-N337 PolarHBondContact O-ND2 2.82Å; M301-N337 HydrophobicContact CE-CB 3.88Å; M301-N337 HydrophobicContact SD-CB 3.97Å; N337-A339 PolarHBondContact O-N 2.94Å; N337-A339 PolarHBondContact OD1-N 2.94Å; N337-Q340 PolarHBondContact O-N 2.95Å; N337-Q340 VanDerWaalsContact O-N 3.1Å; N337-Q340 VanDerWaalsContact OD1-CB 3.32Å; N337-Q340 WeakPolarHBondContact OD1-CB 3.45Å; N337-Q340 WeakPolarHBondContact OD1-CG 3.41Å; N337-Q340 PolarHBondContact OD1-N 2.85Å; N337-Q340 PolarHBondContact OD1-OE1 3.01Å; N337-C341 PolarHBondContact O-N 3.32Å; N337-C341 PolarHBondContact O-SG 3.48Å
338G90.1Very high91.3Very high14 Ų1442 Ų4214%0.14422%0.223CC..Hα-helixtrans-58.5-34.9-179.300000113.5G175 K342G175-G338 WeakPolarHBondContact O-CA 3.38Å; G175-G338 PolarHBondContact O-N 2.93Å; G175-G338 VanDerWaalsContact O-N 3.11Å; G338-K342 PolarHBondContact O-N 2.85Å
339A90.7Very high91.4Very high54 Ų5438.8 Ų38.845%0.44621%0.213SC..Hα-helixtrans-66.8-39.4175.600000112.8G175 N337 K342 A343G175-A339 PolarHBondContact O-N 3.15Å; G175-A339 VanDerWaalsContact O-N 3.11Å; N337-A339 PolarHBondContact O-N 2.94Å; N337-A339 PolarHBondContact OD1-N 2.94Å; A339-K342 WeakPolarHBondContact O-CB 3.31Å; A339-K342 PolarHBondContact O-N 3.44Å; A339-A343 PolarHBondContact O-N 2.76Å
340Q92.1Very high91.5Very high46 Ų4643 Ų4322%0.21523%0.234CC..Hα-helixtrans-69.9-41175.9-72.9161.9-15.500111F336 N337 K342 A343 V344 Q376F336-Q340 VanDerWaalsContact CA-OE1 3.24Å; F336-Q340 HydrophobicContact CB-CB 4.08Å; F336-Q340 HydrophobicContact CD2-CB 3.92Å; F336-Q340 HydrophobicContact CE2-CB 4.49Å; F336-Q340 HydrophobicContact CG-CB 3.98Å; N337-Q340 PolarHBondContact O-N 2.95Å; N337-Q340 VanDerWaalsContact O-N 3.1Å; N337-Q340 VanDerWaalsContact OD1-CB 3.32Å; N337-Q340 WeakPolarHBondContact OD1-CB 3.45Å; N337-Q340 WeakPolarHBondContact OD1-CG 3.41Å; N337-Q340 PolarHBondContact OD1-N 2.85Å; N337-Q340 PolarHBondContact OD1-OE1 3.01Å; Q340-K342 VanDerWaalsContact C-N 3.26Å; Q340-K342 PolarHBondContact O-N 3.14Å; Q340-A343 WeakPolarHBondContact O-CA 3.48Å; Q340-A343 WeakPolarHBondContact O-CB 3.37Å; Q340-A343 PolarHBondContact O-N 3.32Å; Q340-V344 WeakPolarHBondContact O-CG2 3.33Å; Q340-V344 PolarHBondContact O-N 2.88Å; Q340-Q376 VanDerWaalsContact NE2-CD 3.34Å
341C92.8Very high91.6Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-57.4-40.7171.5-68.80000111.7I310 M311 N337 V344 V345I310-C341 HydrophobicContact CB-CB 4.39Å; I310-C341 HydrophobicContact CG2-CB 3.69Å; M311-C341 HydrophobicContact CE-CB 4.3Å; M311-C341 HydrophobicContact CG-CB 4.1Å; N337-C341 PolarHBondContact O-N 3.32Å; N337-C341 PolarHBondContact O-SG 3.48Å; C341-V344 PolarHBondContact O-N 3.39Å; C341-V345 WeakPolarHBondContact O-CG2 3.29Å; C341-V345 PolarHBondContact O-N 3.35Å
342K92.3Very high91.7Very high102 Ų10241.5 Ų41.544%0.44322%0.223SC..Hα-helixtrans-64.2-41.8173-176.3-177173.8-173.10112G338 A339 Q340 V344 V345 I346G338-K342 PolarHBondContact O-N 2.85Å; A339-K342 WeakPolarHBondContact O-CB 3.31Å; A339-K342 PolarHBondContact O-N 3.44Å; Q340-K342 VanDerWaalsContact C-N 3.26Å; Q340-K342 PolarHBondContact O-N 3.14Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 3.03Å; K342-V345 PolarHBondContact O-N 3.45Å; K342-I346 HydrophobicContact CG-CD1 4.1Å; K342-I346 WeakPolarHBondContact O-CG1 3.41Å; K342-I346 PolarHBondContact O-N 3.21Å; K342-I346 VanDerWaalsContact O-N 3.15Å
343A93.5Very high91.9Very high33 Ų3342.5 Ų42.527%0.27323%0.232SC..Hα-helixtrans-60.9-42.1177.400000111.8A339 Q340 V345 I346 E347 V372A339-A343 PolarHBondContact O-N 2.76Å; Q340-A343 WeakPolarHBondContact O-CA 3.48Å; Q340-A343 WeakPolarHBondContact O-CB 3.37Å; Q340-A343 PolarHBondContact O-N 3.32Å; A343-V345 VanDerWaalsContact C-N 3.31Å; A343-V345 PolarHBondContact O-N 2.92Å; A343-I346 PolarHBondContact O-N 3.44Å; A343-I346 VanDerWaalsContact O-N 3.12Å; A343-E347 WeakPolarHBondContact O-CG 3.46Å; A343-E347 PolarHBondContact O-N 3.41Å; A343-V372 HydrophobicContact CB-CG2 4.37Å
344V94.1Very high92.2Very high0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-55.9-44.8174.91720000111.8M311 F336 Q340 C341 K342 I346 E347 A348 F365 A368 V369 V372M311-V344 HydrophobicContact CE-CB 4.37Å; M311-V344 HydrophobicContact CE-CG1 4.26Å; M311-V344 HydrophobicContact CE-CG2 4.45Å; F336-V344 HydrophobicContact CD2-CG2 3.9Å; F336-V344 HydrophobicContact CE2-CG2 3.47Å; F336-V344 VanDerWaalsContact CE2-CG2 3.47Å; Q340-V344 WeakPolarHBondContact O-CG2 3.33Å; Q340-V344 PolarHBondContact O-N 2.88Å; C341-V344 PolarHBondContact O-N 3.39Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 3.03Å; V344-I346 VanDerWaalsContact C-N 3.32Å; V344-I346 PolarHBondContact O-N 3.11Å; V344-E347 PolarHBondContact O-N 3.01Å; V344-A348 WeakPolarHBondContact O-CB 3.5Å; V344-A348 PolarHBondContact O-N 2.9Å; V344-F365 HydrophobicContact CG1-CD1 4.36Å; V344-A368 HydrophobicContact CG1-CB 4.16Å; V344-A368 WeakPolarHBondContact O-CB 3.43Å; V344-V369 HydrophobicContact CG1-CG2 3.67Å; V344-V369 HydrophobicContact CG2-CG2 4.15Å; V344-V372 HydrophobicContact CG2-CB 4.16Å; V344-V372 HydrophobicContact CG2-CG1 4.34Å; V344-V372 HydrophobicContact CG2-CG2 3.97Å
345V93.9Very high92.6Very high1 Ų147.5 Ų47.51%0.00625%0.248CC..Hα-helixtrans-65.7-37.4179.9178.70000111.5M311 H314 A315 M318 C341 K342 A343 G349 F365M311-V345 HydrophobicContact CB-CG2 4.17Å; M311-V345 HydrophobicContact CG-CG2 4.32Å; H314-V345 HydrophobicContact CB-CB 4.2Å; H314-V345 HydrophobicContact CB-CG1 4.08Å; H314-V345 HydrophobicContact CB-CG2 4.09Å; A315-V345 HydrophobicContact CB-CG1 4.45Å; M318-V345 HydrophobicContact CE-CG1 4.02Å; M318-V345 HydrophobicContact SD-CG1 3.78Å; C341-V345 WeakPolarHBondContact O-CG2 3.29Å; C341-V345 PolarHBondContact O-N 3.35Å; K342-V345 PolarHBondContact O-N 3.45Å; A343-V345 VanDerWaalsContact C-N 3.31Å; A343-V345 PolarHBondContact O-N 2.92Å; V345-G349 PolarHBondContact O-N 3.37Å; V345-F365 HydrophobicContact CB-CE1 4.45Å; V345-F365 HydrophobicContact CG1-CE1 4.44Å; V345-F365 HydrophobicContact CG2-CE1 4.18Å
346I94.2Very high92.9Very high80 Ų8048.6 Ų48.641%0.4125%0.254SS..Hα-helixtrans-68-46.9176.7-65.6168.1000110.6K342 A343 V344 A348 G349 M350K342-I346 HydrophobicContact CG-CD1 4.1Å; K342-I346 WeakPolarHBondContact O-CG1 3.41Å; K342-I346 PolarHBondContact O-N 3.21Å; K342-I346 VanDerWaalsContact O-N 3.15Å; A343-I346 PolarHBondContact O-N 3.44Å; A343-I346 VanDerWaalsContact O-N 3.12Å; V344-I346 VanDerWaalsContact C-N 3.32Å; V344-I346 PolarHBondContact O-N 3.11Å; I346-A348 VanDerWaalsContact C-N 3.35Å; I346-A348 PolarHBondContact O-N 2.94Å; I346-G349 WeakPolarHBondContact O-CA 3.04Å; I346-G349 PolarHBondContact O-N 2.84Å; I346-G349 VanDerWaalsContact O-N 3.13Å; I346-M350 WeakPolarHBondContact O-CG 2.98Å; I346-M350 PolarHBondContact O-N 3.32Å
347E93.8Very high92.9Very high51 Ų5152.1 Ų52.124%0.23827%0.269CS..Hα-helixtrans-63.4-39.4178.7-71.3-5415300112A343 V344 G349 M350 I351 R354 A368 V372A343-E347 WeakPolarHBondContact O-CG 3.46Å; A343-E347 PolarHBondContact O-N 3.41Å; V344-E347 PolarHBondContact O-N 3.01Å; E347-G349 VanDerWaalsContact C-N 3.26Å; E347-G349 PolarHBondContact O-N 3.31Å; E347-M350 CarbonylContact O-C 3.53Å; E347-M350 WeakPolarHBondContact O-CB 3.08Å; E347-M350 PolarHBondContact O-N 3.19Å; E347-I351 WeakPolarHBondContact O-CG1 3.31Å; E347-I351 PolarHBondContact O-N 3.36Å; E347-R354 IonicContact OE2-NH2 3.53Å; E347-A368 HydrophobicContact CB-CB 3.84Å; E347-V372 HydrophobicContact CG-CG2 4.02Å
348A94.2Very high92.9Very high0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-58.9-39.5174.100000111.8V344 I346 A352 I360 F365 A368V344-A348 WeakPolarHBondContact O-CB 3.5Å; V344-A348 PolarHBondContact O-N 2.9Å; I346-A348 VanDerWaalsContact C-N 3.35Å; I346-A348 PolarHBondContact O-N 2.94Å; A348-A352 WeakPolarHBondContact O-CB 3.44Å; A348-A352 PolarHBondContact O-N 3.07Å; A348-I360 HydrophobicContact CB-CG2 4.05Å; A348-F365 HydrophobicContact CB-CD1 3.49Å; A348-F365 VanDerWaalsContact CB-CD1 3.49Å; A348-F365 HydrophobicContact CB-CD2 4.42Å; A348-F365 HydrophobicContact CB-CE1 3.67Å; A348-F365 HydrophobicContact CB-CG 3.9Å; A348-F365 HydrophobicContact CB-CZ 4.22Å; A348-A368 HydrophobicContact CB-CB 3.88Å
349G94.1Very high93Very high19 Ų1957.1 Ų57.120%0.19631%0.307CS..Hα-helixtrans-64.4-40.4172.600000113V345 I346 E347 A352 L353V345-G349 PolarHBondContact O-N 3.37Å; I346-G349 WeakPolarHBondContact O-CA 3.04Å; I346-G349 PolarHBondContact O-N 2.84Å; I346-G349 VanDerWaalsContact O-N 3.13Å; E347-G349 VanDerWaalsContact C-N 3.26Å; E347-G349 PolarHBondContact O-N 3.31Å; G349-A352 PolarHBondContact O-N 3.15Å; G349-L353 WeakPolarHBondContact O-CB 3.35Å; G349-L353 PolarHBondContact O-N 3.41Å
350M93.8Very high93.1Very high90 Ų9055.1 Ų55.144%0.44329%0.288SS..Hα-helixtrans-68-38.8177.2-69-61.2-68.700112.6I346 E347 L353 R354I346-M350 WeakPolarHBondContact O-CG 2.98Å; I346-M350 PolarHBondContact O-N 3.32Å; E347-M350 CarbonylContact O-C 3.53Å; E347-M350 WeakPolarHBondContact O-CB 3.08Å; E347-M350 PolarHBondContact O-N 3.19Å; M350-L353 PolarHBondContact O-N 3.43Å; M350-R354 WeakPolarHBondContact O-CG 3.34Å; M350-R354 PolarHBondContact O-N 2.61Å
351I93.6Very high93.2Very high2 Ų254.1 Ų54.11%0.0129%0.286CS..Hα-helixtrans-66.2-44.9175.8-67.8166.5000110.3E347 L353 R354 K355 D364 E367 A368E347-I351 WeakPolarHBondContact O-CG1 3.31Å; E347-I351 PolarHBondContact O-N 3.36Å; I351-L353 VanDerWaalsContact C-N 3.28Å; I351-L353 PolarHBondContact O-N 2.65Å; I351-R354 PolarHBondContact O-N 3.28Å; I351-K355 HydrophobicContact CG2-CD 4.17Å; I351-K355 WeakPolarHBondContact O-CG 3.36Å; I351-K355 PolarHBondContact O-N 3.3Å; I351-D364 HydrophobicContact CG2-CB 4.17Å; I351-E367 HydrophobicContact CD1-CB 3.98Å; I351-E367 HydrophobicContact CD1-CG 3.89Å; I351-E367 WeakPolarHBondContact CG2-OE2 3.29Å; I351-A368 HydrophobicContact CD1-CB 3.98Å
352A93.6Very high93.2Very high3 Ų356.1 Ų56.13%0.02530%0.295CS..Hα-helixtrans-60.1-40.3175.100000111.6A348 G349 K355 N356 K357 I360A348-A352 WeakPolarHBondContact O-CB 3.44Å; A348-A352 PolarHBondContact O-N 3.07Å; G349-A352 PolarHBondContact O-N 3.15Å; A352-K355 CarbonylContact O-C 3.52Å; A352-K355 PolarHBondContact O-N 3.06Å; A352-N356 PolarHBondContact O-N 2.79Å; A352-K357 HydrophobicContact CB-CB 4.41Å; A352-K357 PolarHBondContact O-N 2.89Å; A352-I360 HydrophobicContact CB-CB 4.48Å; A352-I360 HydrophobicContact CB-CG1 3.97Å
353L94.1Very high93.2Very high116 Ų11657.9 Ų57.961%0.60731%0.305SS*.Hα-helixtrans-63.6-45.2174.8-172.368.7000112G349 M350 I351 K355 N356G349-L353 WeakPolarHBondContact O-CB 3.35Å; G349-L353 PolarHBondContact O-N 3.41Å; M350-L353 PolarHBondContact O-N 3.43Å; I351-L353 VanDerWaalsContact C-N 3.28Å; I351-L353 PolarHBondContact O-N 2.65Å; L353-K355 PolarHBondContact O-N 2.74Å; L353-N356 PolarHBondContact O-N 2.92Å
354R93.8Very high93.2Very high143 Ų14356.3 Ų56.354%0.5429%0.292SS..Hα-helixtrans-58.9-33.1175.1-76-177.6-107.5163.2-5.8112.3E347 M350 I351 N356 E371E347-R354 IonicContact OE2-NH2 3.53Å; M350-R354 WeakPolarHBondContact O-CG 3.34Å; M350-R354 PolarHBondContact O-N 2.61Å; I351-R354 PolarHBondContact O-N 3.28Å; R354-N356 VanDerWaalsContact C-N 3.31Å; R354-E371 IonicContact NH2-OE1 3.94Å; R354-E371 IonicContact NH2-OE2 2.71Å; R354-E371 PolarHBondContact NH2-OE2 3.48Å
355K93.5Very high93.2Very high85 Ų8556.3 Ų56.337%0.3729%0.292SS..THydrogen-bonded Turntrans-86.14.6176.6-64.9175.2-171.91690113.6I351 A352 L353 K357 D364 E367I351-K355 HydrophobicContact CG2-CD 4.17Å; I351-K355 WeakPolarHBondContact O-CG 3.36Å; I351-K355 PolarHBondContact O-N 3.3Å; A352-K355 CarbonylContact O-C 3.52Å; A352-K355 PolarHBondContact O-N 3.06Å; L353-K355 PolarHBondContact O-N 2.74Å; K355-K357 HydrophobicContact CB-CD 4.3Å; K355-K357 HydrophobicContact CB-CG 4.05Å; K355-K357 PolarHBondContact O-N 3.36Å; K355-D364 IonicContact NZ-OD1 3.22Å; K355-D364 PolarHBondContact NZ-OD1 2.91Å; K355-E367 WeakPolarHBondContact CE-OE2 3.34Å; K355-E367 IonicContact NZ-OE2 3.15Å; K355-E367 PolarHBondContact NZ-OE2 2.93Å
356N91.8Very high93.2Very high154 Ų15459 Ų5982%0.82431%0.308SS*.THydrogen-bonded Turntrans53.631.9-174.8-64.6-50000114.1A352 L353 R354A352-N356 PolarHBondContact O-N 2.79Å; L353-N356 PolarHBondContact O-N 2.92Å; R354-N356 VanDerWaalsContact C-N 3.31Å
357K90.4Very high93.1Very high77 Ų7759.2 Ų59.234%0.33531%0.308SS..  trans-87.3137.7175.5-63.9178.6-177.3172.50110.5A352 K355 S361 D364A352-K357 HydrophobicContact CB-CB 4.41Å; A352-K357 PolarHBondContact O-N 2.89Å; K355-K357 HydrophobicContact CB-CD 4.3Å; K355-K357 HydrophobicContact CB-CG 4.05Å; K355-K357 PolarHBondContact O-N 3.36Å; K357-S361 PolarHBondContact NZ-OG 3.42Å; K357-D364 IonicContact NZ-OD1 3.5Å; K357-D364 PolarHBondContact NZ-OD1 3.14Å; K357-D364 IonicContact NZ-OD2 2.99Å; K357-D364 PolarHBondContact NZ-OD2 2.95Å
358A89.7Confident93.1Very high83 Ų8356.8 Ų56.869%0.68630%0.296SS*.SBendtrans-82.3-15175.300000113.9
359V93.2Very high93Very high61 Ų6157 Ų5737%0.3730%0.298SS..SBendtrans-132.4136.9-177.4-176.60000108.5D321D321-V359 HydrophobicContact CB-CG1 3.81Å; D321-V359 VanDerWaalsContact N-CG1 3.3Å
360I93.6Very high92.9Very high11 Ų1158.7 Ų58.76%0.05631%0.31CS..BIsolated β-bridgetrans-80.2121.9179.3-53.7171.7000108.9M318 R319 V320 D321 A348 A352 D364 F365M318-I360 HydrophobicContact CB-CD1 3.91Å; M318-I360 HydrophobicContact CG-CD1 4.4Å; M318-I360 HydrophobicContact SD-CD1 3.67Å; R319-I360 PolarHBondContact O-N 3.48Å; V320-I360 HydrophobicContact CG2-CB 4.45Å; V320-I360 HydrophobicContact CG2-CD1 4.38Å; D321-I360 WeakPolarHBondContact CB-O 3.49Å; D321-I360 PolarHBondContact N-O 3.38Å; A348-I360 HydrophobicContact CB-CG2 4.05Å; A352-I360 HydrophobicContact CB-CB 4.48Å; A352-I360 HydrophobicContact CB-CG1 3.97Å; I360-D364 HydrophobicContact CG2-CB 4.12Å; I360-F365 HydrophobicContact CB-CE2 4.27Å; I360-F365 HydrophobicContact CG2-CD2 3.87Å; I360-F365 HydrophobicContact CG2-CE2 3.43Å; I360-F365 VanDerWaalsContact CG2-CE2 3.43Å; I360-F365 HydrophobicContact CG2-CZ 3.94Å
361S92.9Very high92.8Very high26 Ų2657.1 Ų57.118%0.18230%0.301CS..  trans-93162.6179.566.20000112.1K357 Q363 D364K357-S361 PolarHBondContact NZ-OG 3.42Å; S361-Q363 VanDerWaalsContact C-N 3.26Å; S361-Q363 PolarHBondContact O-N 2.98Å; S361-D364 WeakPolarHBondContact CB-OD2 3.37Å; S361-D364 PolarHBondContact N-OD2 3.48Å; S361-D364 PolarHBondContact O-N 3.4Å; S361-D364 VanDerWaalsContact OG-CG 3.23Å; S361-D364 PolarHBondContact OG-OD2 3.44Å
362H92.7Very high92.6Very high41 Ų4157.5 Ų57.519%0.1930%0.304CS..Hα-helixtrans-57.2-38.6179.9-177.181.4000112.7V324 E328 D364 F365 V366V324-H362 HydrophobicContact CG2-CB 4.18Å; E328-H362 IonicContact OE2-CE1 2.68Å; E328-H362 IonicContact OE2-NE2 3.77Å; H362-D364 VanDerWaalsContact C-N 3.27Å; H362-D364 PolarHBondContact O-N 2.87Å; H362-F365 PolarHBondContact O-N 2.89Å; H362-V366 PolarHBondContact O-N 3.41Å
363Q92.2Very high92.3Very high140 Ų14060.3 Ų60.365%0.65432%0.317SS*.Hα-helixtrans-61.5-34177.6-68.4179.3-6.100113S361 F365 V366 E367S361-Q363 VanDerWaalsContact C-N 3.26Å; S361-Q363 PolarHBondContact O-N 2.98Å; Q363-F365 VanDerWaalsContact C-N 3.29Å; Q363-F365 PolarHBondContact O-N 3.04Å; Q363-V366 PolarHBondContact O-N 3.19Å; Q363-E367 PolarHBondContact O-N 3.41Å
364D93.8Very high91.9Very high0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-69.8-30.8-179.6-53.2-46.9000110.8I351 K355 K357 I360 S361 H362 A368I351-D364 HydrophobicContact CG2-CB 4.17Å; K355-D364 IonicContact NZ-OD1 3.22Å; K355-D364 PolarHBondContact NZ-OD1 2.91Å; K357-D364 IonicContact NZ-OD1 3.5Å; K357-D364 PolarHBondContact NZ-OD1 3.14Å; K357-D364 IonicContact NZ-OD2 2.99Å; K357-D364 PolarHBondContact NZ-OD2 2.95Å; I360-D364 HydrophobicContact CG2-CB 4.12Å; S361-D364 WeakPolarHBondContact CB-OD2 3.37Å; S361-D364 PolarHBondContact N-OD2 3.48Å; S361-D364 PolarHBondContact O-N 3.4Å; S361-D364 VanDerWaalsContact OG-CG 3.23Å; S361-D364 PolarHBondContact OG-OD2 3.44Å; H362-D364 VanDerWaalsContact C-N 3.27Å; H362-D364 PolarHBondContact O-N 2.87Å; D364-A368 VanDerWaalsContact O-CB 3.31Å; D364-A368 WeakPolarHBondContact O-CB 3.29Å; D364-A368 PolarHBondContact O-N 3.41Å
365F93.9Very high91.3Very high0 Ų053.5 Ų53.50%030%0.295CS..Hα-helixtrans-70.4-40.9171.5-77.3-77.7000112.8V320 V324 F326 I329 V344 V345 A348 I360 H362 Q363 E367 A368 V369V320-F365 HydrophobicContact CG1-CE2 3.89Å; V320-F365 HydrophobicContact CG1-CZ 4.38Å; V320-F365 HydrophobicContact CG2-CE2 4.42Å; V320-F365 HydrophobicContact CG2-CZ 4.22Å; V324-F365 HydrophobicContact CG1-CD2 3.88Å; V324-F365 HydrophobicContact CG1-CE2 3.94Å; V324-F365 HydrophobicContact CG2-CD2 4.35Å; V324-F365 HydrophobicContact CG2-CE2 4.28Å; F326-F365 HydrophobicContact CE1-CE1 4.41Å; F326-F365 HydrophobicContact CE1-CZ 4.18Å; I329-F365 HydrophobicContact CD1-CB 3.45Å; I329-F365 VanDerWaalsContact CD1-CB 3.45Å; I329-F365 HydrophobicContact CD1-CD1 4.27Å; I329-F365 HydrophobicContact CD1-CD2 3.98Å; I329-F365 HydrophobicContact CD1-CG 3.66Å; I329-F365 HydrophobicContact CG1-CB 4.01Å; I329-F365 HydrophobicContact CG2-CB 4.3Å; V344-F365 HydrophobicContact CG1-CD1 4.36Å; V345-F365 HydrophobicContact CB-CE1 4.45Å; V345-F365 HydrophobicContact CG1-CE1 4.44Å; V345-F365 HydrophobicContact CG2-CE1 4.18Å; A348-F365 HydrophobicContact CB-CD1 3.49Å; A348-F365 VanDerWaalsContact CB-CD1 3.49Å; A348-F365 HydrophobicContact CB-CD2 4.42Å; A348-F365 HydrophobicContact CB-CE1 3.67Å; A348-F365 HydrophobicContact CB-CG 3.9Å; A348-F365 HydrophobicContact CB-CZ 4.22Å; I360-F365 HydrophobicContact CB-CE2 4.27Å; I360-F365 HydrophobicContact CG2-CD2 3.87Å; I360-F365 HydrophobicContact CG2-CE2 3.43Å; I360-F365 VanDerWaalsContact CG2-CE2 3.43Å; I360-F365 HydrophobicContact CG2-CZ 3.94Å; H362-F365 PolarHBondContact O-N 2.89Å; Q363-F365 VanDerWaalsContact C-N 3.29Å; Q363-F365 PolarHBondContact O-N 3.04Å; F365-E367 VanDerWaalsContact C-N 3.33Å; F365-A368 WeakPolarHBondContact O-CB 3.31Å; F365-A368 PolarHBondContact O-N 3.41Å; F365-V369 WeakPolarHBondContact O-CG2 3.34Å; F365-V369 PolarHBondContact O-N 3.21Å
366V93.4Very high90.5Very high56 Ų5652.2 Ų52.234%0.33929%0.29SS..Hα-helixtrans-62.7-43.3177.6177.30000110.5H362 Q363 V369 A370H362-V366 PolarHBondContact O-N 3.41Å; Q363-V366 PolarHBondContact O-N 3.19Å; V366-V369 PolarHBondContact O-N 3Å; V366-A370 PolarHBondContact O-N 2.82Å
367E93Very high89.7Confident85 Ų8551.2 Ų51.240%0.39728%0.279SS..Hα-helixtrans-63.3-41.3174.7-168178.4171.400111.7I351 K355 Q363 F365 V369 A370 E371I351-E367 HydrophobicContact CD1-CB 3.98Å; I351-E367 HydrophobicContact CD1-CG 3.89Å; I351-E367 WeakPolarHBondContact CG2-OE2 3.29Å; K355-E367 WeakPolarHBondContact CE-OE2 3.34Å; K355-E367 IonicContact NZ-OE2 3.15Å; K355-E367 PolarHBondContact NZ-OE2 2.93Å; Q363-E367 PolarHBondContact O-N 3.41Å; F365-E367 VanDerWaalsContact C-N 3.33Å; E367-V369 PolarHBondContact O-N 3.42Å; E367-A370 WeakPolarHBondContact O-CB 3.44Å; E367-A370 PolarHBondContact O-N 2.8Å; E367-E371 PolarHBondContact O-N 2.97Å
368A93.5Very high88.9Confident0 Ų053.4 Ų53.40%029%0.288CS..Hα-helixtrans-62.2-39.1175.800000113.1V344 E347 A348 I351 D364 F365 A370 E371 V372V344-A368 HydrophobicContact CG1-CB 4.16Å; V344-A368 WeakPolarHBondContact O-CB 3.43Å; E347-A368 HydrophobicContact CB-CB 3.84Å; A348-A368 HydrophobicContact CB-CB 3.88Å; I351-A368 HydrophobicContact CD1-CB 3.98Å; D364-A368 VanDerWaalsContact O-CB 3.31Å; D364-A368 WeakPolarHBondContact O-CB 3.29Å; D364-A368 PolarHBondContact O-N 3.41Å; F365-A368 WeakPolarHBondContact O-CB 3.31Å; F365-A368 PolarHBondContact O-N 3.41Å; A368-A370 VanDerWaalsContact C-N 3.33Å; A368-A370 PolarHBondContact O-N 3.1Å; A368-E371 PolarHBondContact O-N 3.02Å; A368-V372 VanDerWaalsContact O-CG2 3.32Å; A368-V372 WeakPolarHBondContact O-CG2 3.48Å; A368-V372 PolarHBondContact O-N 3.25Å
369V93.1Very high87.8Confident5 Ų552.4 Ų52.43%0.0328%0.276CS..Hα-helixtrans-61-44.9175172.70000110.1I329 F332 V344 F365 V366 E367 E371 V372 Q373I329-V369 HydrophobicContact CG2-CG2 3.92Å; F332-V369 HydrophobicContact CB-CG1 4.26Å; V344-V369 HydrophobicContact CG1-CG2 3.67Å; V344-V369 HydrophobicContact CG2-CG2 4.15Å; F365-V369 WeakPolarHBondContact O-CG2 3.34Å; F365-V369 PolarHBondContact O-N 3.21Å; V366-V369 PolarHBondContact O-N 3Å; E367-V369 PolarHBondContact O-N 3.42Å; V369-E371 PolarHBondContact O-N 3.33Å; V369-V372 PolarHBondContact O-N 2.93Å; V369-Q373 HydrophobicContact CG1-CG 4.35Å; V369-Q373 WeakPolarHBondContact O-CB 3.16Å; V369-Q373 VanDerWaalsContact O-CG 3.29Å; V369-Q373 WeakPolarHBondContact O-CG 3.46Å; V369-Q373 PolarHBondContact O-N 2.89Å
370A91.5Very high86.6Confident55 Ų5554.3 Ų54.346%0.45528%0.284SS..Hα-helixtrans-62.9-41.9177.800000112.3V366 E367 A368 Q373 S374V366-A370 PolarHBondContact O-N 2.82Å; E367-A370 WeakPolarHBondContact O-CB 3.44Å; E367-A370 PolarHBondContact O-N 2.8Å; A368-A370 VanDerWaalsContact C-N 3.33Å; A368-A370 PolarHBondContact O-N 3.1Å; A370-Q373 PolarHBondContact O-N 3.38Å; A370-S374 WeakPolarHBondContact O-CB 3.4Å; A370-S374 PolarHBondContact O-N 3.41Å
371E90.4Very high85Confident56 Ų5660 Ų6026%0.26231%0.31SS..Hα-helixtrans-62.6-47.8177.4-170.2165.3-170.300111.1R354 E367 A368 V369 Q373 S374 N375R354-E371 IonicContact NH2-OE1 3.94Å; R354-E371 IonicContact NH2-OE2 2.71Å; R354-E371 PolarHBondContact NH2-OE2 3.48Å; E367-E371 PolarHBondContact O-N 2.97Å; A368-E371 PolarHBondContact O-N 3.02Å; V369-E371 PolarHBondContact O-N 3.33Å; E371-Q373 PolarHBondContact O-N 2.97Å; E371-S374 PolarHBondContact O-N 2.91Å; E371-S374 PolarHBondContact O-OG 3.49Å; E371-N375 PolarHBondContact O-N 3.23Å; E371-N375 VanDerWaalsContact O-N 3.07Å
372V90.1Very high83.5Confident11 Ų1165.9 Ų65.97%0.06733%0.334CS..Hα-helixtrans-64.4-40.3178174.90000112F336 A343 V344 E347 A368 V369 S374 N375 Q376F336-V372 HydrophobicContact CE2-CB 4.2Å; F336-V372 HydrophobicContact CE2-CG1 3.71Å; F336-V372 HydrophobicContact CZ-CB 4.25Å; F336-V372 HydrophobicContact CZ-CG1 3.78Å; A343-V372 HydrophobicContact CB-CG2 4.37Å; V344-V372 HydrophobicContact CG2-CB 4.16Å; V344-V372 HydrophobicContact CG2-CG1 4.34Å; V344-V372 HydrophobicContact CG2-CG2 3.97Å; E347-V372 HydrophobicContact CG-CG2 4.02Å; A368-V372 VanDerWaalsContact O-CG2 3.32Å; A368-V372 WeakPolarHBondContact O-CG2 3.48Å; A368-V372 PolarHBondContact O-N 3.25Å; V369-V372 PolarHBondContact O-N 2.93Å; V372-S374 VanDerWaalsContact C-N 3.34Å; V372-N375 PolarHBondContact O-N 3.35Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 2.8Å
373Q88.3Confident81.9Confident61 Ų6170.5 Ų70.529%0.28536%0.36SS..Hα-helixtrans-62.9-40.4173.9-75.1-177.8-500111.8F332 F336 V369 A370 E371 N375 Q376 K377F332-Q373 PolarHBondContact O-NE2 2.95Å; F336-Q373 HydrophobicContact CE1-CG 3.72Å; F336-Q373 HydrophobicContact CZ-CG 3.51Å; V369-Q373 HydrophobicContact CG1-CG 4.35Å; V369-Q373 WeakPolarHBondContact O-CB 3.16Å; V369-Q373 VanDerWaalsContact O-CG 3.29Å; V369-Q373 WeakPolarHBondContact O-CG 3.46Å; V369-Q373 PolarHBondContact O-N 2.89Å; A370-Q373 PolarHBondContact O-N 3.38Å; E371-Q373 PolarHBondContact O-N 2.97Å; Q373-N375 VanDerWaalsContact C-N 3.31Å; Q373-N375 PolarHBondContact O-N 2.88Å; Q373-Q376 PolarHBondContact O-N 3.47Å; Q373-K377 PolarHBondContact O-N 2.88Å; Q373-K377 VanDerWaalsContact O-N 3.13Å
374S84.7Confident80.2Confident44 Ų4473.3 Ų73.331%0.30837%0.366SS..Hα-helixtrans-63.8-38.6178.781.80000111.9A370 E371 V372 Q376 K377 K378A370-S374 WeakPolarHBondContact O-CB 3.4Å; A370-S374 PolarHBondContact O-N 3.41Å; E371-S374 PolarHBondContact O-N 2.91Å; E371-S374 PolarHBondContact O-OG 3.49Å; V372-S374 VanDerWaalsContact C-N 3.34Å; S374-Q376 PolarHBondContact O-N 3.47Å; S374-K377 PolarHBondContact O-N 2.95Å; S374-K378 WeakPolarHBondContact O-CG 3.43Å; S374-K378 PolarHBondContact O-N 2.9Å
375N82.5Confident77.9Confident73 Ų7381.9 Ų81.939%0.3942%0.418SS..Hα-helixtrans-66.7-37.1178.2-71.3-20.2000112E371 V372 Q373 K378 S379E371-N375 PolarHBondContact O-N 3.23Å; E371-N375 VanDerWaalsContact O-N 3.07Å; V372-N375 PolarHBondContact O-N 3.35Å; Q373-N375 VanDerWaalsContact C-N 3.31Å; Q373-N375 PolarHBondContact O-N 2.88Å; N375-K378 PolarHBondContact O-N 2.77Å; N375-S379 PolarHBondContact O-N 2.97Å; N375-S379 VanDerWaalsContact O-N 3.08Å; N375-S379 PolarHBondContact O-OG 3.36Å
376Q74.9Confident77.1Confident57 Ų5786 Ų8627%0.26644%0.439SS..Hα-helixtrans-62.5-45.2172.1-67.2177.927.800111.5F336 Q340 V372 Q373 S374 K378 S379 L380F336-Q376 VanDerWaalsContact CE1-NE2 3.3Å; Q340-Q376 VanDerWaalsContact NE2-CD 3.34Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 2.8Å; Q373-Q376 PolarHBondContact O-N 3.47Å; S374-Q376 PolarHBondContact O-N 3.47Å; Q376-K378 PolarHBondContact O-N 3.22Å; Q376-S379 PolarHBondContact O-N 3.21Å; Q376-S379 PolarHBondContact O-OG 3.24Å; Q376-L380 PolarHBondContact O-N 2.97Å; Q376-L380 VanDerWaalsContact O-N 3.14Å
377K74.9Confident76.2Confident134 Ų13487.6 Ų87.658%0.58344%0.444SS*.Hα-helixtrans-63.8-39.9178.1-69.6-178.3-178.5179.60112.3Q373 S374 L380 H381Q373-K377 PolarHBondContact O-N 2.88Å; Q373-K377 VanDerWaalsContact O-N 3.13Å; S374-K377 PolarHBondContact O-N 2.95Å; K377-L380 PolarHBondContact O-N 2.88Å; K377-H381 PolarHBondContact O-CD2 2.84Å; K377-H381 PolarHBondContact O-N 3.43Å
378K74.1Confident75.3Confident122 Ų12287.7 Ų87.753%0.5345%0.447SS..Hα-helixtrans-59.8-47.2174.8-73.1174.8-176.5172.20111.7S374 N375 Q376 L380 H381 E382S374-K378 WeakPolarHBondContact O-CG 3.43Å; S374-K378 PolarHBondContact O-N 2.9Å; N375-K378 PolarHBondContact O-N 2.77Å; Q376-K378 PolarHBondContact O-N 3.22Å; K378-L380 PolarHBondContact O-N 3.42Å; K378-H381 PolarHBondContact O-N 3.35Å; K378-H381 VanDerWaalsContact O-N 3.11Å; K378-E382 PolarHBondContact O-N 3.06Å
379S67.9Low74.2Confident63 Ų6392.9 Ų92.944%0.44147%0.473SS..Hα-helixtrans-60.4-31.5176.9600000113.3N375 Q376 L383N375-S379 PolarHBondContact O-N 2.97Å; N375-S379 VanDerWaalsContact O-N 3.08Å; N375-S379 PolarHBondContact O-OG 3.36Å; Q376-S379 PolarHBondContact O-N 3.21Å; Q376-S379 PolarHBondContact O-OG 3.24Å; S379-L383 WeakPolarHBondContact O-CD1 3.37Å
380L66.9Low73.1Confident100 Ų10098.4 Ų98.452%0.52450%0.501SS..Hα-helixtrans-74.3-43.2174.3-69.7171.8000111.4Q376 K377 K378 E382 L383 Y384Q376-L380 PolarHBondContact O-N 2.97Å; Q376-L380 VanDerWaalsContact O-N 3.14Å; K377-L380 PolarHBondContact O-N 2.88Å; K378-L380 PolarHBondContact O-N 3.42Å; L380-E382 PolarHBondContact O-N 2.86Å; L380-L383 WeakPolarHBondContact O-CB 3.33Å; L380-L383 PolarHBondContact O-N 2.87Å; L380-Y384 WeakPolarHBondContact O-CD2 3.37Å
381H60.4Low71.8Confident132 Ų132101.3 Ų101.361%0.61150%0.504SS*.Hα-helixtrans-65.1-35.8179.3-81.5-65.9000113.4K377 K378 L383 Y384 V385K377-H381 PolarHBondContact O-CD2 2.84Å; K377-H381 PolarHBondContact O-N 3.43Å; K378-H381 PolarHBondContact O-N 3.35Å; K378-H381 VanDerWaalsContact O-N 3.11Å; H381-L383 PolarHBondContact O-N 3.36Å; H381-Y384 PolarHBondContact O-N 3.37Å; H381-Y384 VanDerWaalsContact O-N 3.09Å; H381-V385 PolarHBondContact O-N 3Å
382E60.5Low70.5Confident148 Ų148104.5 Ų104.569%0.69252%0.521SS*.THydrogen-bonded Turntrans-66-17.8174.9-73.1174.5-176.100113.4K378 L380K378-E382 PolarHBondContact O-N 3.06Å; L380-E382 PolarHBondContact O-N 2.86Å
383L59.9Low69Low139 Ų139111.7 Ų111.773%0.72856%0.556SS**THydrogen-bonded Turntrans-84.8-12173.8-76156.5000113.1S379 L380 H381S379-L383 WeakPolarHBondContact O-CD1 3.37Å; L380-L383 WeakPolarHBondContact O-CB 3.33Å; L380-L383 PolarHBondContact O-N 2.87Å; H381-L383 PolarHBondContact O-N 3.36Å
384Y57.2Low67.4Low199 Ų199115.9 Ų115.978%0.7858%0.579SS**  trans-109.12-178.2-70.3-72.4000113.9L380 H381L380-Y384 WeakPolarHBondContact O-CD2 3.37Å; H381-Y384 PolarHBondContact O-N 3.37Å; H381-Y384 VanDerWaalsContact O-N 3.09Å
385V44.7Very low65.8Low180 Ų180122.5 Ų122.5100%1.09160%0.603SS**  trans-113.60171.9-178.10000108.2H381H381-V385 PolarHBondContact O-N 3Å

Retrieved 385 of 385 residues in 169.2 ms (Link to these results)

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