A0A087YLE5_POEFO Loading...

Gephyrin

Also has a catalytic activity and catalyzes two steps in the biosynthesis of the molybdenum cofactor. In the first step, molybdopterin is adenylated. Subsequently, molybdate is inserted into adenylated molybdopterin and AMP is released. Microtubule-associated protein involved in membrane protein-cytoskeleton interactions. It is thought to anchor the inhibitory glycine receptor (GLYR) to subsynaptic microtubules. Acts as a major instructive molecule at inhibitory synapses, where it also clusters GABA type A receptors.

AlphaFold DB , UniProt , Accession A0A087YLE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 795 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
1M32.8Very low32.6Very low245 Ų245140.6 Ų140.6100%1.20781%0.806SS**  0117.60-69163.5174.700106.7
2A28.1Very low33.5Very low106 Ų106141.1 Ų141.188%0.87680%0.804SS**  trans-161.168.3-177.900000107.2
3S34.1Very low35.1Very low99 Ų99140.4 Ų140.469%0.69279%0.789SS**  trans-153.283.1-16952.80000108.5
4D35.9Very low37.6Very low173 Ų173138 Ų13893%0.92577%0.769SS**  trans-172.2153161.7-93.1-34.4000109.1
5G32.6Very low40.5Very low76 Ų76130.3 Ų130.378%0.78473%0.725SS**  trans105.316.5150.600000121.1
6M25.7Very low43.4Very low154 Ų154127.3 Ų127.376%0.75970%0.699SS**  trans-141.692.9158.8-94.1-166.774.300112L8M6-L8 HydrophobicContact CE-CD1 3.95Å; M6-L8 HydrophobicContact CE-CD2 4.39Å; M6-L8 HydrophobicContact CE-CG 4.08Å
7I32.1Very low46.1Very low154 Ų154119.8 Ų119.879%0.7966%0.658SS**  trans-104110.5165.5-58177.7000107T9I7-T9 HydrophobicContact CG2-CG2 4.04Å
8L32.7Very low48.6Very low102 Ų102113.2 Ų113.253%0.53462%0.621SS.*  trans-90.8110.7171.8-75.2169.5000108.9M6M6-L8 HydrophobicContact CE-CD1 3.95Å; M6-L8 HydrophobicContact CE-CD2 4.39Å; M6-L8 HydrophobicContact CE-CG 4.08Å
9T33.4Very low50.9Low113 Ų113107.2 Ų107.269%0.69359%0.589SS**  trans-94.6111-179490000112.1I7I7-T9 HydrophobicContact CG2-CG2 4.04Å
10N32.7Very low53Low146 Ų146101.9 Ų101.978%0.78156%0.559SS**  trans-172.382.7148.5-95.9-24.4000110.1D12N10-D12 VanDerWaalsContact C-N 3.33Å; N10-D12 PolarHBondContact O-N 3.44Å
11H39.3Very low54.8Low179 Ų17997.2 Ų97.283%0.82953%0.534SS*.  trans-79.7-5-174.8-93.6-66.5000115.5H13H11-H13 PolarHBondContact O-N 3.26Å
12D42.8Very low57.6Low146 Ų14685.7 Ų85.778%0.78148%0.477SS*.SBendtrans-68.2-0.5-167.6-76.2-11.7000116.5N10N10-D12 VanDerWaalsContact C-N 3.33Å; N10-D12 PolarHBondContact O-N 3.44Å
13H54.9Low60.4Low132 Ų13281.7 Ų81.761%0.61144%0.443SS*.SBendtrans-139.998.7176.7-70.972.9000112.3H11 R170H11-H13 PolarHBondContact O-N 3.26Å; H13-R170 PolarHBondContact O-NH1 3.09Å; H13-R170 VanDerWaalsContact O-NH1 3.14Å
14Q69Low62.8Low107 Ų10778.4 Ų78.450%0.542%0.418SS..  trans-57.9133.2179.7-164.8168.72200112.8R16 G50 M52Q14-R16 PolarHBondContact O-N 3.36Å; Q14-G50 PolarHBondContact NE2-O 3.34Å; Q14-G50 VanDerWaalsContact NE2-O 3.14Å; Q14-M52 HydrophobicContact CG-CB 4.12Å; Q14-M52 VanDerWaalsContact OE1-CE 3.31Å
15I81.9Confident65Low22 Ų2272.6 Ų72.611%0.11339%0.391CS..  trans-67.3125.2-177-60.9172.6000110V17 L49 G51 M52 N80 I166I15-V17 HydrophobicContact CG2-CG2 3.86Å; I15-L49 HydrophobicContact CD1-CD1 3.84Å; I15-L49 HydrophobicContact CD1-CG 4.35Å; I15-G51 WeakPolarHBondContact O-CA 3.38Å; I15-M52 PolarHBondContact O-N 3.45Å; I15-N80 HydrophobicContact CG2-CB 4.17Å; I15-I166 HydrophobicContact CD1-CD1 4.27Å; I15-I166 HydrophobicContact CG1-CG2 4.45Å; I15-I166 HydrophobicContact CG2-CD1 3.91Å; I15-I166 HydrophobicContact CG2-CG2 4.43Å
16R87.2Confident67.2Low83 Ų8369.7 Ų69.731%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-90.3115.6178.3-6217571.3-135.82110.2Q14 V54 K77 E78 L79 N80 L81Q14-R16 PolarHBondContact O-N 3.36Å; R16-V54 HydrophobicContact CB-CG2 3.85Å; R16-V54 HydrophobicContact CG-CG2 3.99Å; R16-K77 PolarHBondContact NH1-O 3.22Å; R16-K77 PolarHBondContact NH2-O 2.82Å; R16-E78 PolarHBondContact NH1-O 2.92Å; R16-L79 HydrophobicContact CB-CD2 4.23Å; R16-N80 WeakPolarHBondContact CB-OD1 3.39Å; R16-N80 PolarHBondContact N-OD1 3.14Å; R16-N80 PolarHBondContact O-N 2.96Å; R16-L81 PolarHBondContact O-N 2.95Å
17V89.2Confident69.8Low0 Ų066.8 Ų66.80%034%0.342CS..EExtended strand (participates in β ladder)trans-116.3139.2-173-1710000111.8I15 V43 L49 M52 I53 V54 L81I15-V17 HydrophobicContact CG2-CG2 3.86Å; V17-V43 HydrophobicContact CB-CG1 3.89Å; V17-V43 HydrophobicContact CG1-CG1 4.01Å; V17-V43 HydrophobicContact CG1-CG2 4.21Å; V17-V43 HydrophobicContact CG2-CG1 3.74Å; V17-L49 HydrophobicContact CG2-CD2 4.47Å; V17-M52 PolarHBondContact N-O 3.39Å; V17-I53 WeakPolarHBondContact O-CA 3.4Å; V17-V54 PolarHBondContact O-N 3.25Å; V17-L81 CarbonylContact C-O 3.53Å; V17-L81 WeakPolarHBondContact CA-O 3.47Å; V17-L81 HydrophobicContact CG1-CB 4.32Å; V17-L81 HydrophobicContact CG1-CD2 4.04Å; V17-L81 HydrophobicContact CG1-CG 4.22Å; V17-L81 HydrophobicContact CG2-CB 4.29Å; V17-L81 HydrophobicContact CG2-CD2 4.23Å
18G91Very high72.1Confident0 Ų066.9 Ų66.90%033%0.332CS..EExtended strand (participates in β ladder)trans-109.5139.4166.700000111.6A55 L81 I82 L83G18-A55 WeakPolarHBondContact CA-O 3.23Å; G18-L81 PolarHBondContact N-O 3.34Å; G18-I82 WeakPolarHBondContact O-CA 3.43Å; G18-L83 PolarHBondContact O-N 2.85Å
19V91.6Very high74.3Confident0 Ų069.2 Ų69.20%035%0.345CS..EExtended strand (participates in β ladder)trans-120.5112.6174.6-1790000109.8L39 K40 A55 Y56 W73 L83V19-L39 HydrophobicContact CG1-CB 4.08Å; V19-L39 HydrophobicContact CG1-CD1 4.47Å; V19-K40 HydrophobicContact CG2-CG 4.47Å; V19-A55 PolarHBondContact N-O 3.23Å; V19-Y56 HydrophobicContact CB-CD2 4.23Å; V19-Y56 HydrophobicContact CG1-CD2 4.31Å; V19-Y56 WeakPolarHBondContact O-CA 3.46Å; V19-Y56 VanDerWaalsContact O-CD2 3.28Å; V19-Y56 WeakPolarHBondContact O-CD2 3.46Å; V19-W73 WeakPolarHBondContact O-CH2 3.39Å; V19-L83 WeakPolarHBondContact CA-O 3.29Å
20L92.3Very high75.9Confident0 Ų070.4 Ų70.40%035%0.346CS..EExtended strand (participates in β ladder)trans-109117.1-176.7-178.958.4000110.6V22 K57 V59 I66 T69 L70 W73 L83 T84 T85L20-V22 HydrophobicContact CG-CG2 4.34Å; L20-K57 HydrophobicContact CD1-CB 4.15Å; L20-V59 HydrophobicContact CD1-CB 4.48Å; L20-V59 HydrophobicContact CD1-CG1 3.96Å; L20-V59 HydrophobicContact CD1-CG2 3.76Å; L20-V59 HydrophobicContact CD2-CG2 4.49Å; L20-V59 HydrophobicContact CG-CG2 4.2Å; L20-I66 HydrophobicContact CD2-CG2 4.45Å; L20-T69 HydrophobicContact CD1-CG2 3.77Å; L20-T69 HydrophobicContact CD2-CG2 4.04Å; L20-L70 HydrophobicContact CD2-CD2 3.92Å; L20-L70 HydrophobicContact CD2-CG 4.23Å; L20-W73 HydrophobicContact CB-CH2 3.95Å; L20-W73 HydrophobicContact CB-CZ3 3.75Å; L20-W73 HydrophobicContact CD1-CH2 4.24Å; L20-L83 PolarHBondContact N-O 3.34Å; L20-T84 HydrophobicContact CB-CG2 4.24Å; L20-T84 HydrophobicContact CD2-CG2 4.21Å; L20-T84 CarbonylContact O-C 3.6Å; L20-T84 VanDerWaalsContact O-CA 3.27Å; L20-T84 WeakPolarHBondContact O-CA 3.32Å; L20-T85 PolarHBondContact O-N 3.16Å
21T91.6Very high77.9Confident4 Ų465.5 Ų65.53%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-97120.8175.3-60.20000109.8D33 K57 I58 V59 T85T21-D33 WeakPolarHBondContact CB-OD2 3.46Å; T21-D33 HydrophobicContact CG2-CB 4.22Å; T21-D33 WeakPolarHBondContact CG2-OD2 3.46Å; T21-D33 PolarHBondContact OG1-OD2 3.38Å; T21-K57 PolarHBondContact N-O 3.16Å; T21-K57 VanDerWaalsContact N-O 3.08Å; T21-I58 HydrophobicContact CG2-CG2 4.43Å; T21-I58 CarbonylContact O-C 3.07Å; T21-I58 WeakPolarHBondContact O-CA 3.49Å; T21-V59 PolarHBondContact O-N 3.08Å; T21-T85 HydrophobicContact CG2-CG2 4.34Å
22V90.7Very high79.8Confident3 Ų363.5 Ų63.52%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-103.1108.2178.1-172.20000108.1L20 V59 I66 T85 G86 T96L20-V22 HydrophobicContact CG-CG2 4.34Å; V22-V59 HydrophobicContact CB-CG2 4.33Å; V22-V59 HydrophobicContact CG1-CG2 4.37Å; V22-V59 HydrophobicContact CG2-CG2 3.89Å; V22-I66 HydrophobicContact CG1-CD1 3.57Å; V22-I66 HydrophobicContact CG1-CG1 4.02Å; V22-I66 HydrophobicContact CG2-CD1 4.33Å; V22-I66 HydrophobicContact CG2-CG1 4.18Å; V22-T85 PolarHBondContact N-O 3.29Å; V22-G86 WeakPolarHBondContact O-CA 3.49Å; V22-T96 HydrophobicContact CG2-CG2 4.02Å
23S87.1Confident81.6Confident22 Ų2257.2 Ų57.215%0.15428%0.284CS..  trans-169.9119.8176.2179.30000112.8S25 C26 F27 V59 D61S23-S25 PolarHBondContact O-N 2.96Å; S23-S25 PolarHBondContact OG-N 3.37Å; S23-S25 PolarHBondContact OG-OG 3.22Å; S23-C26 PolarHBondContact O-N 3Å; S23-C26 PolarHBondContact OG-N 2.8Å; S23-F27 WeakPolarHBondContact O-CB 3.46Å; S23-F27 PolarHBondContact O-N 3.42Å; S23-V59 PolarHBondContact N-O 3.38Å; S23-D61 WeakPolarHBondContact CA-OD2 3.48Å
24D84.8Confident82.9Confident30 Ų3058.9 Ų58.916%0.1628%0.284CS..Hα-helixtrans-49-41.4168.2-78.6-23000112.8R28 P60 D61 R93D24-R28 WeakPolarHBondContact O-CB 3.31Å; D24-R28 VanDerWaalsContact O-CG 3.24Å; D24-R28 WeakPolarHBondContact O-CG 3.47Å; D24-R28 PolarHBondContact O-N 3.46Å; D24-R28 VanDerWaalsContact O-N 3.11Å; D24-P60 WeakPolarHBondContact OD1-CB 3.46Å; D24-D61 PolarHBondContact N-OD2 2.81Å; D24-D61 PolarHBondContact OD1-N 3.25Å; D24-D61 VanDerWaalsContact OD1-N 3.1Å; D24-R93 VanDerWaalsContact CG-NH2 3.26Å; D24-R93 IonicContact OD1-CZ 2.8Å; D24-R93 IonicContact OD1-NE 3.72Å; D24-R93 IonicContact OD1-NH2 2.74Å; D24-R93 PolarHBondContact OD1-NH2 2.82Å; D24-R93 IonicContact OD2-CZ 2.68Å; D24-R93 VanDerWaalsContact OD2-CZ 3.29Å; D24-R93 IonicContact OD2-NE 2.61Å; D24-R93 PolarHBondContact OD2-NE 3.42Å; D24-R93 IonicContact OD2-NH2 2.64Å; D24-R93 PolarHBondContact OD2-NH2 3.47Å
25S81.9Confident83.5Confident52 Ų5254.3 Ų54.336%0.36427%0.265SS..Hα-helixtrans-73-37.2-17846.70000113.1S23 L30 A31S23-S25 PolarHBondContact O-N 2.96Å; S23-S25 PolarHBondContact OG-N 3.37Å; S23-S25 PolarHBondContact OG-OG 3.22Å; S25-L30 WeakPolarHBondContact O-CA 3.25Å; S25-L30 WeakPolarHBondContact O-CB 3.48Å; S25-L30 PolarHBondContact O-N 3.44Å; S25-A31 PolarHBondContact O-N 3.1Å; S25-A31 VanDerWaalsContact O-N 3.11Å
26C79Confident83.5Confident14 Ų1453.3 Ų53.310%0.09526%0.259CS..Hα-helixtrans-74.3-41.9176.3-59.90000110.7S23 R28 N29 I58S23-C26 PolarHBondContact O-N 3Å; S23-C26 PolarHBondContact OG-N 2.8Å; C26-R28 VanDerWaalsContact C-N 3.31Å; C26-R28 PolarHBondContact O-N 3.48Å; C26-N29 PolarHBondContact O-N 2.76Å; C26-I58 HydrophobicContact CB-CD1 4.43Å; C26-I58 HydrophobicContact CB-CG2 3.77Å
27F80.3Confident83.4Confident94 Ų9453.4 Ų53.441%0.41227%0.265SS..Hα-helixtrans-60.2-38.5177.8-175.5-106.2000112.6S23 N29 I58 P60S23-F27 WeakPolarHBondContact O-CB 3.46Å; S23-F27 PolarHBondContact O-N 3.42Å; F27-N29 PolarHBondContact O-N 3.14Å; F27-I58 HydrophobicContact CB-CG2 4.25Å; F27-P60 HydrophobicContact CB-CB 4.49Å; F27-P60 HydrophobicContact CD1-CB 3.95Å; F27-P60 HydrophobicContact CD1-CG 4.2Å; F27-P60 HydrophobicContact CE1-CB 4.4Å; F27-P60 HydrophobicContact CE1-CG 4.2Å; F27-P60 HydrophobicContact CG-CB 4.22Å; F27-P60 HydrophobicContact CG-CG 4.46Å; F27-P60 HydrophobicContact CZ-CG 4.46Å
28R81.7Confident83.3Confident156 Ų15654 Ų5459%0.58927%0.269SS*.THydrogen-bonded Turntrans-81.67175.9-63.9175.2-166.7-175.87.9114.1D24 C26 L30D24-R28 WeakPolarHBondContact O-CB 3.31Å; D24-R28 VanDerWaalsContact O-CG 3.24Å; D24-R28 WeakPolarHBondContact O-CG 3.47Å; D24-R28 PolarHBondContact O-N 3.46Å; D24-R28 VanDerWaalsContact O-N 3.11Å; C26-R28 VanDerWaalsContact C-N 3.31Å; C26-R28 PolarHBondContact O-N 3.48Å; R28-L30 HydrophobicContact CB-CD1 3.96Å; R28-L30 HydrophobicContact CB-CG 3.95Å; R28-L30 PolarHBondContact O-N 3.06Å
29N78.6Confident82.9Confident150 Ų15054 Ų5480%0.80227%0.269SS*.THydrogen-bonded Turntrans5528.6-174.2-59.1-77.7000114.2C26 F27C26-N29 PolarHBondContact O-N 2.76Å; F27-N29 PolarHBondContact O-N 3.14Å
30L66.9Low82.6Confident138 Ų13856.4 Ų56.472%0.72328%0.279SS*.SBendtrans-89.3-16.8176.5-61.7174.2000112.5S25 R28S25-L30 WeakPolarHBondContact O-CA 3.25Å; S25-L30 WeakPolarHBondContact O-CB 3.48Å; S25-L30 PolarHBondContact O-N 3.44Å; R28-L30 HydrophobicContact CB-CD1 3.96Å; R28-L30 HydrophobicContact CB-CG 3.95Å; R28-L30 PolarHBondContact O-N 3.06Å
31A74.9Confident82.2Confident44 Ų4461 Ų6136%0.36430%0.303SS..SBendtrans-141.8148.3174.800000110.8S25S25-A31 PolarHBondContact O-N 3.1Å; S25-A31 VanDerWaalsContact O-N 3.11Å
32E77.5Confident81.7Confident137 Ų13761.7 Ų61.764%0.6431%0.307SS*.  trans-76.4134.5171.2-60.4172146.400110.3R34E32-R34 HydrophobicContact CB-CG 4.28Å; E32-R34 PolarHBondContact O-N 3.23Å; E32-R34 IonicContact OE2-CZ 3.63Å; E32-R34 VanDerWaalsContact OE2-CZ 3.23Å; E32-R34 IonicContact OE2-NE 3.51Å; E32-R34 PolarHBondContact OE2-NE 3.44Å; E32-R34 IonicContact OE2-NH2 3.92Å; E32-R34 PolarHBondContact OE2-NH2 2.94Å
33D81.1Confident81.4Confident14 Ų1461.5 Ų61.58%0.07531%0.306CS..  trans-73.1100.6168.8178.819.5000111.2T21 S35 G36 I37 Y56 I58T21-D33 WeakPolarHBondContact CB-OD2 3.46Å; T21-D33 HydrophobicContact CG2-CB 4.22Å; T21-D33 WeakPolarHBondContact CG2-OD2 3.46Å; T21-D33 PolarHBondContact OG1-OD2 3.38Å; D33-S35 PolarHBondContact OD1-N 3.4Å; D33-G36 PolarHBondContact OD1-N 3.26Å; D33-G36 WeakPolarHBondContact OD2-CA 3.41Å; D33-G36 PolarHBondContact OD2-N 3.35Å; D33-I37 VanDerWaalsContact O-CD1 3.23Å; D33-I37 WeakPolarHBondContact O-CD1 3.35Å; D33-I37 VanDerWaalsContact O-CG1 3.27Å; D33-I37 WeakPolarHBondContact O-CG1 3.48Å; D33-Y56 PolarHBondContact OD2-OH 3.31Å; D33-Y56 VanDerWaalsContact OD2-OH 3.09Å; D33-I58 HydrophobicContact CB-CD1 4.25Å
34R83.4Confident81Confident166 Ų16666.4 Ų66.463%0.62633%0.326SS*.SBendtrans-93.4-6.8176-63.4175178.9-176.5-1.3113.1E32 K148E32-R34 HydrophobicContact CB-CG 4.28Å; E32-R34 PolarHBondContact O-N 3.23Å; E32-R34 IonicContact OE2-CZ 3.63Å; E32-R34 VanDerWaalsContact OE2-CZ 3.23Å; E32-R34 IonicContact OE2-NE 3.51Å; E32-R34 PolarHBondContact OE2-NE 3.44Å; E32-R34 IonicContact OE2-NH2 3.92Å; E32-R34 PolarHBondContact OE2-NH2 2.94Å; R34-K148 WeakPolarHBondContact O-CD 2.99Å
35S81Confident80.6Confident12 Ų1267.9 Ų67.98%0.08433%0.334CS..Hα-helixtrans-100.9-48.3-173.5-64.50000111.5D33 N38 L39 G146 K148D33-S35 PolarHBondContact OD1-N 3.4Å; S35-N38 WeakPolarHBondContact O-CB 3.18Å; S35-N38 PolarHBondContact O-N 2.94Å; S35-L39 WeakPolarHBondContact O-CG 3.22Å; S35-L39 PolarHBondContact O-N 3.43Å; S35-G146 PolarHBondContact OG-O 2.97Å; S35-K148 WeakPolarHBondContact OG-CA 3.37Å; S35-K148 PolarHBondContact OG-N 3.14Å; S35-K148 VanDerWaalsContact OG-N 3.08Å
36G81.8Confident79.7Confident0 Ų071 Ų710%035%0.353CS..Hα-helixtrans-67.9-33.6174.400000112.7D33 L39 K40D33-G36 PolarHBondContact OD1-N 3.26Å; D33-G36 WeakPolarHBondContact OD2-CA 3.41Å; D33-G36 PolarHBondContact OD2-N 3.35Å; G36-L39 PolarHBondContact O-N 3.45Å; G36-K40 WeakPolarHBondContact O-CG 3.46Å; G36-K40 PolarHBondContact O-N 3.07Å
37I85.8Confident78.9Confident86 Ų8675 Ų7544%0.44138%0.381SS..Hα-helixtrans-62.3-46.7169.7-63.8-179.7000110.7D33 L39 K40 D41D33-I37 VanDerWaalsContact O-CD1 3.23Å; D33-I37 WeakPolarHBondContact O-CD1 3.35Å; D33-I37 VanDerWaalsContact O-CG1 3.27Å; D33-I37 WeakPolarHBondContact O-CG1 3.48Å; I37-L39 VanDerWaalsContact C-N 3.26Å; I37-L39 PolarHBondContact O-N 3.42Å; I37-K40 WeakPolarHBondContact O-CB 3.33Å; I37-K40 PolarHBondContact O-N 3.16Å; I37-D41 PolarHBondContact O-N 3.39Å; I37-D41 VanDerWaalsContact O-N 3.1Å
38N85.9Confident78.3Confident13 Ų1372.7 Ų72.77%0.0737%0.373CS..Hα-helixtrans-59.8-37.8177.4-160.152000112.3S35 D41 L42 K148 Q152S35-N38 WeakPolarHBondContact O-CB 3.18Å; S35-N38 PolarHBondContact O-N 2.94Å; N38-D41 PolarHBondContact O-N 3.06Å; N38-L42 WeakPolarHBondContact O-CB 3.34Å; N38-L42 WeakPolarHBondContact O-CD1 3.33Å; N38-L42 WeakPolarHBondContact O-CG 3.32Å; N38-L42 PolarHBondContact O-N 3.12Å; N38-K148 HydrophobicContact CB-CD 4.23Å; N38-K148 HydrophobicContact CB-CG 3.91Å; N38-K148 VanDerWaalsContact CG-NZ 3.31Å; N38-K148 WeakPolarHBondContact ND2-CG 3.49Å; N38-K148 PolarHBondContact ND2-O 2.77Å; N38-K148 WeakPolarHBondContact OD1-CE 3.15Å; N38-K148 PolarHBondContact OD1-NZ 2.94Å; N38-Q152 PolarHBondContact ND2-OE1 3.42Å
39L83.8Confident77.6Confident0 Ų066.4 Ų66.40%035%0.351CS..Hα-helixtrans-69.7-30.3176.5-70.6171.9000112.8V19 S35 G36 I37 V43 L83 T85 L144 F155V19-L39 HydrophobicContact CG1-CB 4.08Å; V19-L39 HydrophobicContact CG1-CD1 4.47Å; S35-L39 WeakPolarHBondContact O-CG 3.22Å; S35-L39 PolarHBondContact O-N 3.43Å; G36-L39 PolarHBondContact O-N 3.45Å; I37-L39 VanDerWaalsContact C-N 3.26Å; I37-L39 PolarHBondContact O-N 3.42Å; L39-V43 VanDerWaalsContact O-CB 3.29Å; L39-V43 WeakPolarHBondContact O-CB 3.35Å; L39-V43 WeakPolarHBondContact O-CG2 3.44Å; L39-V43 PolarHBondContact O-N 3.08Å; L39-L83 HydrophobicContact CD2-CD1 4.48Å; L39-T85 HydrophobicContact CD1-CG2 3.94Å; L39-L144 HydrophobicContact CD1-CD1 3.8Å; L39-L144 HydrophobicContact CD2-CD1 3.68Å; L39-L144 HydrophobicContact CG-CD1 4.42Å; L39-F155 HydrophobicContact CD2-CB 4.39Å
40K83.6Confident77.1Confident50 Ų5060.4 Ų60.422%0.21732%0.324CS..Hα-helixtrans-62.9-51.1169-70.5175.1-174.3168.60111V19 G36 I37 L42 V43 H44 I53 Y56V19-K40 HydrophobicContact CG2-CG 4.47Å; G36-K40 WeakPolarHBondContact O-CG 3.46Å; G36-K40 PolarHBondContact O-N 3.07Å; I37-K40 WeakPolarHBondContact O-CB 3.33Å; I37-K40 PolarHBondContact O-N 3.16Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.39Å; K40-V43 PolarHBondContact O-N 3.27Å; K40-V43 VanDerWaalsContact O-N 3.16Å; K40-H44 WeakPolarHBondContact O-CB 3.5Å; K40-H44 PolarHBondContact O-N 3.37Å; K40-I53 HydrophobicContact CB-CD1 3.6Å; K40-I53 HydrophobicContact CG-CD1 3.83Å; K40-I53 HydrophobicContact CG-CG1 4.43Å; K40-I53 HydrophobicContact CG-CG2 4.42Å; K40-Y56 VanDerWaalsContact NZ-CD2 3.31Å; K40-Y56 VanDerWaalsContact NZ-CE1 3.31Å
41D84.1Confident77.5Confident96 Ų9653.8 Ų53.851%0.51329%0.29SS..Hα-helixtrans-57.6-45-178.2-55.6-29.9000110.6I37 N38 H44 D45I37-D41 PolarHBondContact O-N 3.39Å; I37-D41 VanDerWaalsContact O-N 3.1Å; N38-D41 PolarHBondContact O-N 3.06Å; D41-H44 PolarHBondContact O-N 3.16Å; D41-D45 PolarHBondContact O-N 3.28Å
42L82.9Confident77.8Confident18 Ų1856 Ų569%0.09429%0.294CS..Hα-helixtrans-69.5-28.8178.2-68.8166.1000114.7N38 K40 L48 Q152 F155N38-L42 WeakPolarHBondContact O-CB 3.34Å; N38-L42 WeakPolarHBondContact O-CD1 3.33Å; N38-L42 WeakPolarHBondContact O-CG 3.32Å; N38-L42 PolarHBondContact O-N 3.12Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.39Å; L42-L48 HydrophobicContact CB-CD1 4.44Å; L42-L48 HydrophobicContact CD2-CD1 3.7Å; L42-Q152 HydrophobicContact CD1-CB 3.99Å; L42-Q152 HydrophobicContact CD1-CG 3.77Å; L42-F155 HydrophobicContact CB-CD1 4.24Å; L42-F155 HydrophobicContact CB-CE1 4.08Å
43V82.6Confident78.1Confident0 Ų052.1 Ų52.10%028%0.276CS..Hα-helixtrans-79.3-35.4175.81620000111.4V17 L39 K40 L49 G50 G51 I53 L83 F155V17-V43 HydrophobicContact CB-CG1 3.89Å; V17-V43 HydrophobicContact CG1-CG1 4.01Å; V17-V43 HydrophobicContact CG1-CG2 4.21Å; V17-V43 HydrophobicContact CG2-CG1 3.74Å; L39-V43 VanDerWaalsContact O-CB 3.29Å; L39-V43 WeakPolarHBondContact O-CB 3.35Å; L39-V43 WeakPolarHBondContact O-CG2 3.44Å; L39-V43 PolarHBondContact O-N 3.08Å; K40-V43 PolarHBondContact O-N 3.27Å; K40-V43 VanDerWaalsContact O-N 3.16Å; V43-L49 HydrophobicContact CG2-CD2 4.42Å; V43-G50 PolarHBondContact O-N 3.22Å; V43-G51 PolarHBondContact O-N 3.09Å; V43-I53 HydrophobicContact CG1-CG1 4Å; V43-L83 HydrophobicContact CG2-CD1 3.76Å; V43-F155 HydrophobicContact CG2-CE2 4.46Å; V43-F155 HydrophobicContact CG2-CZ 4.1Å
44H79.4Confident78.2Confident125 Ų12554.1 Ų54.158%0.57929%0.289SS*.Hα-helixtrans-75.4-24.8-179-166.548.5000112.9K40 D41 P46 I53K40-H44 WeakPolarHBondContact O-CB 3.5Å; K40-H44 PolarHBondContact O-N 3.37Å; D41-H44 PolarHBondContact O-N 3.16Å; H44-P46 VanDerWaalsContact O-CD 3.26Å; H44-P46 WeakPolarHBondContact O-CD 3.35Å; H44-I53 HydrophobicContact CB-CD1 4.33Å
45D76.3Confident78.3Confident60 Ų6046.7 Ų46.732%0.32126%0.263SS..  trans-56.7116.4176.8-168.3-31.8000111.7D41 S47 L48 L49 G50D41-D45 PolarHBondContact O-N 3.28Å; D45-S47 VanDerWaalsContact CG-OG 3.29Å; D45-S47 PolarHBondContact O-N 3.5Å; D45-S47 WeakPolarHBondContact OD1-CA 3.5Å; D45-S47 WeakPolarHBondContact OD1-CB 3.47Å; D45-S47 PolarHBondContact OD1-N 2.93Å; D45-S47 PolarHBondContact OD1-OG 2.91Å; D45-S47 PolarHBondContact OD2-OG 3.1Å; D45-L48 HydrophobicContact CB-CB 4.15Å; D45-L48 HydrophobicContact CB-CD1 4.02Å; D45-L48 HydrophobicContact CB-CG 4.06Å; D45-L48 PolarHBondContact O-N 3.29Å; D45-L48 VanDerWaalsContact O-N 3.14Å; D45-L49 PolarHBondContact O-N 3.41Å; D45-L49 VanDerWaalsContact O-N 3.12Å; D45-G50 PolarHBondContact O-N 3.45Å
46P63.8Low78.7Confident119 Ų11950 Ų5077%0.77328%0.275SS*.THydrogen-bonded Turntrans-65-19179-21.834.4000114.2H44 L48H44-P46 VanDerWaalsContact O-CD 3.26Å; H44-P46 WeakPolarHBondContact O-CD 3.35Å; P46-L48 VanDerWaalsContact C-N 3.34Å
47S60.7Low79.1Confident97 Ų9753.5 Ų53.568%0.67829%0.29SS*.THydrogen-bonded Turntrans-83.1-10.2176.8730000113.7D45D45-S47 VanDerWaalsContact CG-OG 3.29Å; D45-S47 PolarHBondContact O-N 3.5Å; D45-S47 WeakPolarHBondContact OD1-CA 3.5Å; D45-S47 WeakPolarHBondContact OD1-CB 3.47Å; D45-S47 PolarHBondContact OD1-N 2.93Å; D45-S47 PolarHBondContact OD1-OG 2.91Å; D45-S47 PolarHBondContact OD2-OG 3.1Å
48L67.9Low79.2Confident45 Ų4551.6 Ų51.624%0.23628%0.28CS..THydrogen-bonded Turntrans-113-50.7-176.6-64.9-175.7000113L42 D45 P46 L159L42-L48 HydrophobicContact CB-CD1 4.44Å; L42-L48 HydrophobicContact CD2-CD1 3.7Å; D45-L48 HydrophobicContact CB-CB 4.15Å; D45-L48 HydrophobicContact CB-CD1 4.02Å; D45-L48 HydrophobicContact CB-CG 4.06Å; D45-L48 PolarHBondContact O-N 3.29Å; D45-L48 VanDerWaalsContact O-N 3.14Å; P46-L48 VanDerWaalsContact C-N 3.34Å; L48-L159 HydrophobicContact CB-CD1 3.8Å; L48-L159 HydrophobicContact CD2-CD1 3.89Å; L48-L159 HydrophobicContact CG-CD1 4.33Å
49L68.3Low79.5Confident24 Ų2451 Ų5113%0.12628%0.277CS..THydrogen-bonded Turntrans-149.7-28-178.6-169.163.5000114.1I15 V17 V43 D45 G51 L81 F155 L162 P163I15-L49 HydrophobicContact CD1-CD1 3.84Å; I15-L49 HydrophobicContact CD1-CG 4.35Å; V17-L49 HydrophobicContact CG2-CD2 4.47Å; V43-L49 HydrophobicContact CG2-CD2 4.42Å; D45-L49 PolarHBondContact O-N 3.41Å; D45-L49 VanDerWaalsContact O-N 3.12Å; L49-G51 PolarHBondContact O-N 3.23Å; L49-L81 HydrophobicContact CD2-CD2 3.99Å; L49-F155 HydrophobicContact CD2-CZ 4.27Å; L49-L162 HydrophobicContact CD1-CD2 4.15Å; L49-L162 HydrophobicContact CD2-CD2 3.94Å; L49-P163 HydrophobicContact CD1-CG 4.32Å
50G66.8Low79.7Confident24 Ų2451.2 Ų51.225%0.24728%0.278CS..  trans61.923.4-178.900000114.9Q14 V43 D45Q14-G50 PolarHBondContact NE2-O 3.34Å; Q14-G50 VanDerWaalsContact NE2-O 3.14Å; V43-G50 PolarHBondContact O-N 3.22Å; D45-G50 PolarHBondContact O-N 3.45Å
51G75.4Confident80Confident0 Ų049.6 Ų49.60%027%0.272CS..  trans-73.8145.9-17400000113.4I15 V43 L49I15-G51 WeakPolarHBondContact O-CA 3.38Å; V43-G51 PolarHBondContact O-N 3.09Å; L49-G51 PolarHBondContact O-N 3.23Å
52M81.4Confident80.3Confident91 Ų9149 Ų4945%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-85.7120.7166.7-174.4-175.4-64.700109.1Q14 I15 V17 V54Q14-M52 HydrophobicContact CG-CB 4.12Å; Q14-M52 VanDerWaalsContact OE1-CE 3.31Å; I15-M52 PolarHBondContact O-N 3.45Å; V17-M52 PolarHBondContact N-O 3.39Å; M52-V54 HydrophobicContact CB-CG2 4.48Å; M52-V54 HydrophobicContact CG-CG2 4.09Å; M52-V54 PolarHBondContact O-N 3.27Å; M52-V54 HydrophobicContact SD-CG2 4.11Å
53I83.9Confident80.6Confident54 Ų5450.9 Ų50.928%0.27728%0.276SS..EExtended strand (participates in β ladder)trans-76.5108.1171.4-58.6144000107.9V17 K40 V43 H44V17-I53 WeakPolarHBondContact O-CA 3.4Å; K40-I53 HydrophobicContact CB-CD1 3.6Å; K40-I53 HydrophobicContact CG-CD1 3.83Å; K40-I53 HydrophobicContact CG-CG1 4.43Å; K40-I53 HydrophobicContact CG-CG2 4.42Å; V43-I53 HydrophobicContact CG1-CG1 4Å; H44-I53 HydrophobicContact CB-CD1 4.33Å
54V83.8Confident81Confident57 Ų5756.6 Ų56.635%0.34531%0.306SS..EExtended strand (participates in β ladder)trans-97.1-28.2-177.9176.70000111.5R16 V17 M52 L79R16-V54 HydrophobicContact CB-CG2 3.85Å; R16-V54 HydrophobicContact CG-CG2 3.99Å; V17-V54 PolarHBondContact O-N 3.25Å; M52-V54 HydrophobicContact CB-CG2 4.48Å; M52-V54 HydrophobicContact CG-CG2 4.09Å; M52-V54 PolarHBondContact O-N 3.27Å; M52-V54 HydrophobicContact SD-CG2 4.11Å; V54-L79 HydrophobicContact CB-CD2 3.7Å; V54-L79 HydrophobicContact CG1-CD2 3.71Å; V54-L79 HydrophobicContact CG2-CD2 4.43Å
55A85.6Confident81.5Confident10 Ų1053.9 Ų53.98%0.08329%0.294CS..EExtended strand (participates in β ladder)trans-138.2143.2-179.900000112.6G18 V19 W73 L79G18-A55 WeakPolarHBondContact CA-O 3.23Å; V19-A55 PolarHBondContact N-O 3.23Å; A55-W73 HydrophobicContact CB-CD2 3.93Å; A55-W73 HydrophobicContact CB-CE3 4.23Å; A55-W73 HydrophobicContact CB-CH2 4.07Å; A55-W73 HydrophobicContact CB-CZ2 3.73Å; A55-W73 HydrophobicContact CB-CZ3 4.31Å; A55-L79 HydrophobicContact CB-CD1 3.84Å
56Y89.3Confident82.2Confident81 Ų8151 Ų5132%0.31828%0.279SS..EExtended strand (participates in β ladder)trans-149131.2168.8170-99.6000109.5V19 D33 K40 I58V19-Y56 HydrophobicContact CB-CD2 4.23Å; V19-Y56 HydrophobicContact CG1-CD2 4.31Å; V19-Y56 WeakPolarHBondContact O-CA 3.46Å; V19-Y56 VanDerWaalsContact O-CD2 3.28Å; V19-Y56 WeakPolarHBondContact O-CD2 3.46Å; D33-Y56 PolarHBondContact OD2-OH 3.31Å; D33-Y56 VanDerWaalsContact OD2-OH 3.09Å; K40-Y56 VanDerWaalsContact NZ-CD2 3.31Å; K40-Y56 VanDerWaalsContact NZ-CE1 3.31Å; Y56-I58 HydrophobicContact CE1-CG1 4.27Å
57K89.2Confident83.6Confident73 Ų7348.5 Ų48.532%0.31726%0.255SS..EExtended strand (participates in β ladder)trans-145150.3177.9-173.3-178.7175.7-166.70108.1L20 T21 V59 T69 W73L20-K57 HydrophobicContact CD1-CB 4.15Å; T21-K57 PolarHBondContact N-O 3.16Å; T21-K57 VanDerWaalsContact N-O 3.08Å; K57-V59 HydrophobicContact CD-CG1 3.91Å; K57-V59 HydrophobicContact CG-CG1 4.08Å; K57-T69 HydrophobicContact CD-CG2 3.75Å; K57-T69 PolarHBondContact NZ-OG1 3.28Å; K57-W73 HydrophobicContact CB-CH2 4.18Å; K57-W73 HydrophobicContact CB-CZ2 3.65Å
58I89.1Confident85Confident46 Ų4650.2 Ų50.224%0.23625%0.253CS..EExtended strand (participates in β ladder)trans-108.8132.9166.8-52.1-179.7000106.4T21 C26 F27 D33 Y56T21-I58 HydrophobicContact CG2-CG2 4.43Å; T21-I58 CarbonylContact O-C 3.07Å; T21-I58 WeakPolarHBondContact O-CA 3.49Å; C26-I58 HydrophobicContact CB-CD1 4.43Å; C26-I58 HydrophobicContact CB-CG2 3.77Å; F27-I58 HydrophobicContact CB-CG2 4.25Å; D33-I58 HydrophobicContact CB-CD1 4.25Å; Y56-I58 HydrophobicContact CE1-CG1 4.27Å
59V90.6Very high86Confident0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-126153178-67.90000110.1L20 T21 V22 S23 K57 I66L20-V59 HydrophobicContact CD1-CB 4.48Å; L20-V59 HydrophobicContact CD1-CG1 3.96Å; L20-V59 HydrophobicContact CD1-CG2 3.76Å; L20-V59 HydrophobicContact CD2-CG2 4.49Å; L20-V59 HydrophobicContact CG-CG2 4.2Å; T21-V59 PolarHBondContact O-N 3.08Å; V22-V59 HydrophobicContact CB-CG2 4.33Å; V22-V59 HydrophobicContact CG1-CG2 4.37Å; V22-V59 HydrophobicContact CG2-CG2 3.89Å; S23-V59 PolarHBondContact N-O 3.38Å; K57-V59 HydrophobicContact CD-CG1 3.91Å; K57-V59 HydrophobicContact CG-CG1 4.08Å; V59-I66 HydrophobicContact CG2-CG1 3.9Å
60P89.7Confident87.1Confident6 Ų647 Ų474%0.03924%0.236CC..  trans-68.9172.217032.5-35.6000111D24 F27 E62 E65D24-P60 WeakPolarHBondContact OD1-CB 3.46Å; F27-P60 HydrophobicContact CB-CB 4.49Å; F27-P60 HydrophobicContact CD1-CB 3.95Å; F27-P60 HydrophobicContact CD1-CG 4.2Å; F27-P60 HydrophobicContact CE1-CB 4.4Å; F27-P60 HydrophobicContact CE1-CG 4.2Å; F27-P60 HydrophobicContact CG-CB 4.22Å; F27-P60 HydrophobicContact CG-CG 4.46Å; F27-P60 HydrophobicContact CZ-CG 4.46Å; P60-E62 HydrophobicContact CB-CG 4.21Å; P60-E62 HydrophobicContact CG-CB 4.34Å; P60-E62 HydrophobicContact CG-CG 3.98Å; P60-E62 PolarHBondContact O-N 2.61Å; P60-E65 VanDerWaalsContact CD-OE2 3.23Å; P60-E65 WeakPolarHBondContact CD-OE2 3.46Å; P60-E65 WeakPolarHBondContact CG-OE1 3.39Å
61D89.3Confident88.2Confident16 Ų1648.1 Ų48.19%0.08624%0.238CC..SBendtrans-78.954.9176.8-66.2-81.8000111.5S23 D24 R93S23-D61 WeakPolarHBondContact CA-OD2 3.48Å; D24-D61 PolarHBondContact N-OD2 2.81Å; D24-D61 PolarHBondContact OD1-N 3.25Å; D24-D61 VanDerWaalsContact OD1-N 3.1Å; D61-R93 HydrophobicContact CB-CB 3.99Å; D61-R93 WeakPolarHBondContact CB-O 3.24Å; D61-R93 PolarHBondContact O-NH1 3.48Å; D61-R93 VanDerWaalsContact O-NH1 3.16Å
62E90.6Very high89Confident83 Ų8349.9 Ų49.939%0.38825%0.247SC..  trans-119.3130.4179.6-59.6-59.2161.900111.5P60 D64 E65 I66 R93P60-E62 HydrophobicContact CB-CG 4.21Å; P60-E62 HydrophobicContact CG-CB 4.34Å; P60-E62 HydrophobicContact CG-CG 3.98Å; P60-E62 PolarHBondContact O-N 2.61Å; E62-D64 PolarHBondContact O-N 3.49Å; E62-E65 PolarHBondContact O-N 2.59Å; E62-I66 WeakPolarHBondContact O-CD1 3.49Å; E62-I66 VanDerWaalsContact O-CG1 3.26Å; E62-I66 WeakPolarHBondContact O-CG1 3.38Å; E62-I66 PolarHBondContact O-N 2.94Å; E62-R93 VanDerWaalsContact CD-NH1 3.3Å; E62-R93 IonicContact OE1-CZ 3.79Å; E62-R93 IonicContact OE1-NH1 2.82Å; E62-R93 PolarHBondContact OE1-NH1 2.84Å; E62-R93 IonicContact OE1-NH2 3.55Å; E62-R93 PolarHBondContact OE1-NH2 2.98Å; E62-R93 IonicContact OE2-NH1 3.91Å; E62-R93 PolarHBondContact OE2-NH1 3.37Å
63I89.8Confident89.4Confident58 Ų5845.8 Ų45.830%0.29723%0.227SC..Hα-helixtrans-59.3-46.2-172.9-66.6173.9000111.8I66 K67 V95 A99I63-I66 PolarHBondContact O-N 2.79Å; I63-K67 WeakPolarHBondContact O-CB 3.34Å; I63-K67 PolarHBondContact O-N 3.38Å; I63-V95 HydrophobicContact CD1-CB 4.27Å; I63-V95 HydrophobicContact CD1-CG1 4.47Å; I63-V95 HydrophobicContact CG1-CB 3.75Å; I63-V95 HydrophobicContact CG1-CG1 4.33Å; I63-V95 HydrophobicContact CG1-CG2 3.89Å; I63-A99 HydrophobicContact CG2-CB 4.12Å
64D90.7Very high89.5Confident120 Ų12043.6 Ų43.664%0.64222%0.216SC*.Hα-helixtrans-67.8-39.3-175.4-66.3-53.1000112.8E62 K67 E68E62-D64 PolarHBondContact O-N 3.49Å; D64-K67 PolarHBondContact O-N 3.4Å; D64-E68 WeakPolarHBondContact O-CB 3.17Å; D64-E68 PolarHBondContact O-N 2.8Å
65E90.3Very high89.5Confident68 Ų6845 Ų4532%0.31822%0.222SC..Hα-helixtrans-69.4-36.9177.3-74.5-163.3-131.200112.5P60 E62 T69P60-E65 VanDerWaalsContact CD-OE2 3.23Å; P60-E65 WeakPolarHBondContact CD-OE2 3.46Å; P60-E65 WeakPolarHBondContact CG-OE1 3.39Å; E62-E65 PolarHBondContact O-N 2.59Å; E65-T69 VanDerWaalsContact O-CB 3.32Å; E65-T69 WeakPolarHBondContact O-CB 3.42Å; E65-T69 PolarHBondContact O-N 3.17Å; E65-T69 VanDerWaalsContact O-N 3.17Å; E65-T69 PolarHBondContact O-OG1 2.98Å
66I90.6Very high89.4Confident0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-64.3-48.1172.8-61.9161000109.1L20 V22 V59 E62 I63 T69 L70 V95 T96 A99L20-I66 HydrophobicContact CD2-CG2 4.45Å; V22-I66 HydrophobicContact CG1-CD1 3.57Å; V22-I66 HydrophobicContact CG1-CG1 4.02Å; V22-I66 HydrophobicContact CG2-CD1 4.33Å; V22-I66 HydrophobicContact CG2-CG1 4.18Å; V59-I66 HydrophobicContact CG2-CG1 3.9Å; E62-I66 WeakPolarHBondContact O-CD1 3.49Å; E62-I66 VanDerWaalsContact O-CG1 3.26Å; E62-I66 WeakPolarHBondContact O-CG1 3.38Å; E62-I66 PolarHBondContact O-N 2.94Å; I63-I66 PolarHBondContact O-N 2.79Å; I66-T69 PolarHBondContact O-N 3.25Å; I66-L70 HydrophobicContact CG2-CD1 3.97Å; I66-L70 HydrophobicContact CG2-CG 4.35Å; I66-L70 WeakPolarHBondContact O-CG 3.39Å; I66-L70 PolarHBondContact O-N 3.35Å; I66-V95 HydrophobicContact CD1-CG2 3.98Å; I66-T96 HydrophobicContact CG2-CG2 4.47Å; I66-A99 HydrophobicContact CB-CB 3.88Å; I66-A99 HydrophobicContact CD1-CB 4.31Å; I66-A99 HydrophobicContact CG2-CB 3.63Å
67K91.8Very high88.9Confident65 Ų6552.1 Ų52.128%0.28326%0.255SS..Hα-helixtrans-61.2-50.4-178.5-180175.3-176.6177.90112.6I63 D64 T69 L70 V71 E102 V103I63-K67 WeakPolarHBondContact O-CB 3.34Å; I63-K67 PolarHBondContact O-N 3.38Å; D64-K67 PolarHBondContact O-N 3.4Å; K67-T69 VanDerWaalsContact C-N 3.31Å; K67-T69 PolarHBondContact O-N 3.26Å; K67-L70 PolarHBondContact O-N 3.07Å; K67-V71 WeakPolarHBondContact O-CG2 3.23Å; K67-V71 PolarHBondContact O-N 2.56Å; K67-E102 IonicContact NZ-OE2 2.79Å; K67-E102 PolarHBondContact NZ-OE2 2.75Å; K67-V103 HydrophobicContact CB-CG2 4.23Å; K67-V103 HydrophobicContact CG-CG2 3.75Å
68E90.6Very high88.5Confident134 Ų13455.5 Ų55.563%0.62627%0.272SS*.Hα-helixtrans-57.1-45.2175.3-176.1-176-136.400111D64 V71 D72D64-E68 WeakPolarHBondContact O-CB 3.17Å; D64-E68 PolarHBondContact O-N 2.8Å; E68-V71 PolarHBondContact O-N 3.18Å; E68-D72 WeakPolarHBondContact O-CB 3.45Å; E68-D72 PolarHBondContact O-N 2.97Å
69T90.2Very high88.4Confident1 Ų153.3 Ų53.31%0.00626%0.261CS..Hα-helixtrans-64.6-41.6178.9-54.90000112.7L20 K57 E65 I66 K67 V71 W73L20-T69 HydrophobicContact CD1-CG2 3.77Å; L20-T69 HydrophobicContact CD2-CG2 4.04Å; K57-T69 HydrophobicContact CD-CG2 3.75Å; K57-T69 PolarHBondContact NZ-OG1 3.28Å; E65-T69 VanDerWaalsContact O-CB 3.32Å; E65-T69 WeakPolarHBondContact O-CB 3.42Å; E65-T69 PolarHBondContact O-N 3.17Å; E65-T69 VanDerWaalsContact O-N 3.17Å; E65-T69 PolarHBondContact O-OG1 2.98Å; I66-T69 PolarHBondContact O-N 3.25Å; K67-T69 VanDerWaalsContact C-N 3.31Å; K67-T69 PolarHBondContact O-N 3.26Å; T69-V71 VanDerWaalsContact C-N 3.35Å; T69-W73 HydrophobicContact CG2-CD2 4.19Å; T69-W73 HydrophobicContact CG2-CZ2 3.94Å; T69-W73 WeakPolarHBondContact O-CB 3.19Å; T69-W73 VanDerWaalsContact O-CG 3.22Å; T69-W73 PolarHBondContact O-N 3.03Å; T69-W73 VanDerWaalsContact O-N 3.08Å
70L90.4Very high88.2Confident0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-68.3-34.4177.5-69.2177000112L20 I66 K67 C74 I82 T84 V103 I141L20-L70 HydrophobicContact CD2-CD2 3.92Å; L20-L70 HydrophobicContact CD2-CG 4.23Å; I66-L70 HydrophobicContact CG2-CD1 3.97Å; I66-L70 HydrophobicContact CG2-CG 4.35Å; I66-L70 WeakPolarHBondContact O-CG 3.39Å; I66-L70 PolarHBondContact O-N 3.35Å; K67-L70 PolarHBondContact O-N 3.07Å; L70-C74 PolarHBondContact O-N 2.97Å; L70-C74 VanDerWaalsContact O-N 3.11Å; L70-C74 PolarHBondContact O-SG 3.2Å; L70-I82 HydrophobicContact CD2-CD1 4.3Å; L70-I82 HydrophobicContact CD2-CG2 3.71Å; L70-T84 HydrophobicContact CD2-CG2 3.95Å; L70-V103 HydrophobicContact CB-CG1 3.93Å; L70-V103 HydrophobicContact CB-CG2 4.22Å; L70-V103 HydrophobicContact CD1-CG2 4.36Å; L70-I141 HydrophobicContact CD2-CG2 4.13Å
71V90.4Very high88.2Confident47 Ų4754.1 Ų54.129%0.28527%0.265SS..Hα-helixtrans-70-48.7175.9170.90000111K67 E68 T69 W73 C74 D75 V103K67-V71 WeakPolarHBondContact O-CG2 3.23Å; K67-V71 PolarHBondContact O-N 2.56Å; E68-V71 PolarHBondContact O-N 3.18Å; T69-V71 VanDerWaalsContact C-N 3.35Å; V71-W73 PolarHBondContact O-N 3.04Å; V71-C74 PolarHBondContact O-N 3.4Å; V71-D75 VanDerWaalsContact O-CB 3.32Å; V71-D75 WeakPolarHBondContact O-CB 3.3Å; V71-D75 PolarHBondContact O-N 3.17Å; V71-V103 HydrophobicContact CG2-CG1 4.15Å; V71-V103 HydrophobicContact CG2-CG2 4.26Å
72D91Very high88.4Confident37 Ų3753.4 Ų53.420%0.19826%0.261CS..Iπ-helixtrans-49-46171.1163.534.6000111.7E68 E76 K77E68-D72 WeakPolarHBondContact O-CB 3.45Å; E68-D72 PolarHBondContact O-N 2.97Å; D72-E76 PolarHBondContact O-N 2.85Å; D72-E76 VanDerWaalsContact O-N 3.08Å; D72-K77 PolarHBondContact O-N 2.84Å; D72-K77 VanDerWaalsContact O-N 3.08Å; D72-K77 IonicContact OD1-NZ 3.29Å; D72-K77 PolarHBondContact OD1-NZ 3.38Å; D72-K77 IonicContact OD2-NZ 2.75Å; D72-K77 PolarHBondContact OD2-NZ 3.48Å
73W90Very high88.6Confident6 Ų649.4 Ų49.42%0.02324%0.242CC..Iπ-helixtrans-76.3-28.1-174.8-72.119.3000114.3V19 L20 A55 K57 T69 V71 K77 L79 I82V19-W73 WeakPolarHBondContact O-CH2 3.39Å; L20-W73 HydrophobicContact CB-CH2 3.95Å; L20-W73 HydrophobicContact CB-CZ3 3.75Å; L20-W73 HydrophobicContact CD1-CH2 4.24Å; A55-W73 HydrophobicContact CB-CD2 3.93Å; A55-W73 HydrophobicContact CB-CE3 4.23Å; A55-W73 HydrophobicContact CB-CH2 4.07Å; A55-W73 HydrophobicContact CB-CZ2 3.73Å; A55-W73 HydrophobicContact CB-CZ3 4.31Å; K57-W73 HydrophobicContact CB-CH2 4.18Å; K57-W73 HydrophobicContact CB-CZ2 3.65Å; T69-W73 HydrophobicContact CG2-CD2 4.19Å; T69-W73 HydrophobicContact CG2-CZ2 3.94Å; T69-W73 WeakPolarHBondContact O-CB 3.19Å; T69-W73 VanDerWaalsContact O-CG 3.22Å; T69-W73 PolarHBondContact O-N 3.03Å; T69-W73 VanDerWaalsContact O-N 3.08Å; V71-W73 PolarHBondContact O-N 3.04Å; W73-K77 HydrophobicContact CG-CD 4.49Å; W73-L79 HydrophobicContact CB-CD1 3.9Å; W73-L79 HydrophobicContact CB-CG 4.49Å; W73-L79 HydrophobicContact CD2-CD1 4.11Å; W73-L79 HydrophobicContact CE3-CD1 4.04Å; W73-L79 HydrophobicContact CG-CD1 4.06Å; W73-L79 WeakPolarHBondContact O-CB 3.25Å; W73-L79 WeakPolarHBondContact O-CG 3.34Å; W73-L79 PolarHBondContact O-N 2.96Å; W73-I82 HydrophobicContact CB-CD1 3.52Å; W73-I82 HydrophobicContact CB-CG1 4.34Å; W73-I82 HydrophobicContact CE3-CD1 4.37Å; W73-I82 HydrophobicContact CE3-CG1 4.26Å; W73-I82 HydrophobicContact CE3-CG2 3.93Å; W73-I82 HydrophobicContact CZ3-CG2 4.26Å
74C86.4Confident88.7Confident8 Ų846.7 Ų46.75%0.05423%0.228CC..Iπ-helixtrans-79.4-50.9171.9-64.50000111.4L70 V71 E78 R136L70-C74 PolarHBondContact O-N 2.97Å; L70-C74 VanDerWaalsContact O-N 3.11Å; L70-C74 PolarHBondContact O-SG 3.2Å; V71-C74 PolarHBondContact O-N 3.4Å; C74-E78 PolarHBondContact O-N 3.24Å; C74-R136 HydrophobicContact CB-CG 4.19Å
75D83.7Confident88.8Confident86 Ų8641 Ų4146%0.4620%0.198SC..Iπ-helixtrans-95.5-35.7-159.3-60.312.8000113V71 R136V71-D75 VanDerWaalsContact O-CB 3.32Å; V71-D75 WeakPolarHBondContact O-CB 3.3Å; V71-D75 PolarHBondContact O-N 3.17Å; D75-R136 IonicContact OD1-CZ 3.41Å; D75-R136 IonicContact OD1-NE 2.7Å; D75-R136 PolarHBondContact OD1-NE 3.05Å; D75-R136 IonicContact OD1-NH2 2.65Å; D75-R136 IonicContact OD2-CZ 2.75Å; D75-R136 IonicContact OD2-NE 2.8Å; D75-R136 PolarHBondContact OD2-NE 2.85Å; D75-R136 IonicContact OD2-NH2 3.6Å; D75-R136 PolarHBondContact OD2-NH2 2.88Å
76E83Confident88.7Confident164 Ų16438.1 Ų38.177%0.76619%0.186SC*.Iπ-helixtrans-95.4-36.4176.4-66-165.2-170.500112.7D72D72-E76 PolarHBondContact O-N 2.85Å; D72-E76 VanDerWaalsContact O-N 3.08Å
77K78.6Confident88.5Confident77 Ų7738.4 Ų38.434%0.33519%0.189SC..THydrogen-bonded Turntrans-95.2-13.1-174.3-64.5-176.6169.678.70114.5R16 D72 W73 L79R16-K77 PolarHBondContact NH1-O 3.22Å; R16-K77 PolarHBondContact NH2-O 2.82Å; D72-K77 PolarHBondContact O-N 2.84Å; D72-K77 VanDerWaalsContact O-N 3.08Å; D72-K77 IonicContact OD1-NZ 3.29Å; D72-K77 PolarHBondContact OD1-NZ 3.38Å; D72-K77 IonicContact OD2-NZ 2.75Å; D72-K77 PolarHBondContact OD2-NZ 3.48Å; W73-K77 HydrophobicContact CG-CD 4.49Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 HydrophobicContact CB-CD2 4.26Å; K77-L79 HydrophobicContact CB-CG 4.13Å; K77-L79 PolarHBondContact O-N 3.47Å
78E81.4Confident88.4Confident143 Ų14335.6 Ų35.667%0.66818%0.177SC*.  trans50.146.6-178.7-59.2-171.7137.600113.8R16 C74R16-E78 PolarHBondContact NH1-O 2.92Å; C74-E78 PolarHBondContact O-N 3.24Å
79L86.4Confident88.2Confident1 Ų130 Ų301%0.00516%0.156CC..  trans-71147.2176.6-57.1-172.5000110.9R16 V54 A55 W73 K77 I82 T139R16-L79 HydrophobicContact CB-CD2 4.23Å; V54-L79 HydrophobicContact CB-CD2 3.7Å; V54-L79 HydrophobicContact CG1-CD2 3.71Å; V54-L79 HydrophobicContact CG2-CD2 4.43Å; A55-L79 HydrophobicContact CB-CD1 3.84Å; W73-L79 HydrophobicContact CB-CD1 3.9Å; W73-L79 HydrophobicContact CB-CG 4.49Å; W73-L79 HydrophobicContact CD2-CD1 4.11Å; W73-L79 HydrophobicContact CE3-CD1 4.04Å; W73-L79 HydrophobicContact CG-CD1 4.06Å; W73-L79 WeakPolarHBondContact O-CB 3.25Å; W73-L79 WeakPolarHBondContact O-CG 3.34Å; W73-L79 PolarHBondContact O-N 2.96Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 HydrophobicContact CB-CD2 4.26Å; K77-L79 HydrophobicContact CB-CG 4.13Å; K77-L79 PolarHBondContact O-N 3.47Å; L79-I82 HydrophobicContact CB-CG1 4.39Å; L79-I82 HydrophobicContact CD1-CG1 4.42Å; L79-T139 VanDerWaalsContact O-CB 3.3Å; L79-T139 WeakPolarHBondContact O-CB 3.18Å; L79-T139 VanDerWaalsContact O-CG2 3.23Å; L79-T139 WeakPolarHBondContact O-CG2 3.42Å; L79-T139 PolarHBondContact O-OG1 3.12Å
80N87.3Confident88.1Confident23 Ų2336 Ų3612%0.12318%0.182CC..SBendtrans-85.6-33.4178.6-53124.3000111.7I15 R16 L140 I166I15-N80 HydrophobicContact CG2-CB 4.17Å; R16-N80 WeakPolarHBondContact CB-OD1 3.39Å; R16-N80 PolarHBondContact N-OD1 3.14Å; R16-N80 PolarHBondContact O-N 2.96Å; N80-L140 PolarHBondContact O-N 3.5Å; N80-I166 HydrophobicContact CB-CG2 4.01Å
81L90.6Very high88Confident0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-137.6133.6-177.8177.667.7000110.1R16 V17 G18 L49 L83 L140 I142 L162 I166R16-L81 PolarHBondContact O-N 2.95Å; V17-L81 CarbonylContact C-O 3.53Å; V17-L81 WeakPolarHBondContact CA-O 3.47Å; V17-L81 HydrophobicContact CG1-CB 4.32Å; V17-L81 HydrophobicContact CG1-CD2 4.04Å; V17-L81 HydrophobicContact CG1-CG 4.22Å; V17-L81 HydrophobicContact CG2-CB 4.29Å; V17-L81 HydrophobicContact CG2-CD2 4.23Å; G18-L81 PolarHBondContact N-O 3.34Å; L49-L81 HydrophobicContact CD2-CD2 3.99Å; L81-L83 HydrophobicContact CD1-CD2 3.94Å; L81-L83 HydrophobicContact CD2-CD1 4.44Å; L81-L83 HydrophobicContact CD2-CD2 4.03Å; L81-L83 HydrophobicContact CD2-CG 4.15Å; L81-L83 HydrophobicContact CG-CD2 4.01Å; L81-L83 HydrophobicContact CG-CG 4.19Å; L81-L140 CarbonylContact C-O 3.51Å; L81-L140 WeakPolarHBondContact CA-O 3.46Å; L81-L140 HydrophobicContact CD1-CB 4.23Å; L81-L140 HydrophobicContact CD1-CD2 4.23Å; L81-L140 HydrophobicContact CD1-CG 4.23Å; L81-I142 HydrophobicContact CD1-CD1 3.94Å; L81-I142 HydrophobicContact CD1-CG1 4.27Å; L81-L162 HydrophobicContact CD1-CD1 3.99Å; L81-L162 HydrophobicContact CD2-CD1 4.43Å; L81-L162 HydrophobicContact CD2-CD2 3.89Å; L81-L162 HydrophobicContact CD2-CG 4.38Å; L81-I166 HydrophobicContact CB-CD1 4.04Å; L81-I166 HydrophobicContact CD2-CD1 4.29Å
82I93.1Very high87.8Confident0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-120.4120.1168.9-58.5173000108.6G18 L70 W73 L79 T84 T139 L140 I141 I142G18-I82 WeakPolarHBondContact O-CA 3.43Å; L70-I82 HydrophobicContact CD2-CD1 4.3Å; L70-I82 HydrophobicContact CD2-CG2 3.71Å; W73-I82 HydrophobicContact CB-CD1 3.52Å; W73-I82 HydrophobicContact CB-CG1 4.34Å; W73-I82 HydrophobicContact CE3-CD1 4.37Å; W73-I82 HydrophobicContact CE3-CG1 4.26Å; W73-I82 HydrophobicContact CE3-CG2 3.93Å; W73-I82 HydrophobicContact CZ3-CG2 4.26Å; L79-I82 HydrophobicContact CB-CG1 4.39Å; L79-I82 HydrophobicContact CD1-CG1 4.42Å; I82-T84 HydrophobicContact CG2-CG2 4.25Å; I82-T139 HydrophobicContact CD1-CG2 3.76Å; I82-T139 HydrophobicContact CG1-CG2 3.79Å; I82-L140 PolarHBondContact N-O 3.4Å; I82-I141 HydrophobicContact CB-CG1 4.47Å; I82-I141 HydrophobicContact CB-CG2 4.44Å; I82-I141 HydrophobicContact CD1-CG1 4.42Å; I82-I142 PolarHBondContact O-N 2.73Å
83L93.4Very high87.7Confident0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-101.7116.7171.9-57.9-178.8000108.6G18 V19 L20 L39 V43 L81 I142 L144 F155G18-L83 PolarHBondContact O-N 2.85Å; V19-L83 WeakPolarHBondContact CA-O 3.29Å; L20-L83 PolarHBondContact N-O 3.34Å; L39-L83 HydrophobicContact CD2-CD1 4.48Å; V43-L83 HydrophobicContact CG2-CD1 3.76Å; L81-L83 HydrophobicContact CD1-CD2 3.94Å; L81-L83 HydrophobicContact CD2-CD1 4.44Å; L81-L83 HydrophobicContact CD2-CD2 4.03Å; L81-L83 HydrophobicContact CD2-CG 4.15Å; L81-L83 HydrophobicContact CG-CD2 4.01Å; L81-L83 HydrophobicContact CG-CG 4.19Å; L83-I142 HydrophobicContact CD2-CB 4.03Å; L83-I142 HydrophobicContact CD2-CD1 4.43Å; L83-I142 HydrophobicContact CD2-CG2 4.5Å; L83-L144 HydrophobicContact CB-CD1 4.38Å; L83-L144 HydrophobicContact CD2-CD1 4.4Å; L83-F155 HydrophobicContact CD1-CD2 3.99Å; L83-F155 HydrophobicContact CD1-CE2 3.72Å; L83-F155 HydrophobicContact CD2-CD2 4.5Å; L83-F155 HydrophobicContact CD2-CE2 4.48Å
84T93.7Very high87.7Confident0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-97144.6170.278.90000109.9L20 L70 I82 T96 I141 I142 N143 L144L20-T84 HydrophobicContact CB-CG2 4.24Å; L20-T84 HydrophobicContact CD2-CG2 4.21Å; L20-T84 CarbonylContact O-C 3.6Å; L20-T84 VanDerWaalsContact O-CA 3.27Å; L20-T84 WeakPolarHBondContact O-CA 3.32Å; L70-T84 HydrophobicContact CD2-CG2 3.95Å; I82-T84 HydrophobicContact CG2-CG2 4.25Å; T84-T96 WeakPolarHBondContact OG1-CG2 3.2Å; T84-I141 HydrophobicContact CG2-CG2 4.47Å; T84-I142 PolarHBondContact N-O 2.93Å; T84-N143 VanDerWaalsContact OG1-CA 3.28Å; T84-N143 WeakPolarHBondContact OG1-CA 3.49Å; T84-N143 VanDerWaalsContact OG1-CG 3.23Å; T84-N143 PolarHBondContact OG1-OD1 2.9Å; T84-L144 WeakPolarHBondContact O-CB 3.37Å; T84-L144 PolarHBondContact O-N 2.98Å
85T91.9Very high88Confident2 Ų247.2 Ų47.21%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-135123.6175.5-178.30000110.8L20 T21 V22 L39 P145L20-T85 PolarHBondContact O-N 3.16Å; T21-T85 HydrophobicContact CG2-CG2 4.34Å; V22-T85 PolarHBondContact N-O 3.29Å; L39-T85 HydrophobicContact CD1-CG2 3.94Å; T85-P145 PolarHBondContact OG1-O 3.02Å
86G88.1Confident88.4Confident6 Ų643.1 Ų43.16%0.06223%0.228CC..SBendtrans109.2164.7-175.800000113.8V22 T88 T96 L144V22-G86 WeakPolarHBondContact O-CA 3.49Å; G86-T88 VanDerWaalsContact C-N 3.29Å; G86-T88 WeakPolarHBondContact O-CG2 3Å; G86-T88 PolarHBondContact O-N 3.33Å; G86-T96 WeakPolarHBondContact O-CB 3.42Å; G86-T96 PolarHBondContact O-OG1 3.33Å; G86-L144 PolarHBondContact N-O 3.02Å
87G86.1Confident88.9Confident7 Ų735.4 Ų35.47%0.07219%0.192CC..  trans62.220.3178.500000116.6D94 V95 T96 P97G87-D94 WeakPolarHBondContact CA-OD1 3.32Å; G87-D94 CarbonylContact O-C 3.52Å; G87-D94 WeakPolarHBondContact O-CA 3.39Å; G87-D94 WeakPolarHBondContact O-CB 3.12Å; G87-V95 PolarHBondContact O-N 2.84Å; G87-T96 VanDerWaalsContact CA-OG1 3.25Å; G87-T96 WeakPolarHBondContact CA-OG1 3.43Å; G87-T96 PolarHBondContact O-N 2.74Å; G87-T96 VanDerWaalsContact O-N 3.12Å; G87-T96 PolarHBondContact O-OG1 2.97Å; G87-P97 WeakPolarHBondContact O-CD 3.35Å
88T89.3Confident89.6Confident5 Ų535.6 Ų35.63%0.03119%0.194CC..  trans-101.42.4-177.5720000115.5G86 D94 S129 R130 N143G86-T88 VanDerWaalsContact C-N 3.29Å; G86-T88 WeakPolarHBondContact O-CG2 3Å; G86-T88 PolarHBondContact O-N 3.33Å; T88-D94 PolarHBondContact N-OD1 3.44Å; T88-D94 VanDerWaalsContact N-OD1 3.16Å; T88-S129 PolarHBondContact OG1-OG 2.75Å; T88-R130 PolarHBondContact O-N 3.08Å; T88-N143 HydrophobicContact CG2-CB 3.97Å
89G88.3Confident90.1Very high17 Ų1728.8 Ų28.818%0.17516%0.162CC..SBendtrans-81.2-152-179.200000114.7D94 L128 R130G89-D94 VanDerWaalsContact C-CG 3.41Å; G89-D94 WeakPolarHBondContact CA-OD1 3.27Å; G89-D94 WeakPolarHBondContact CA-OD2 3.25Å; G89-D94 PolarHBondContact N-OD1 3.06Å; G89-D94 PolarHBondContact N-OD2 3.32Å; G89-D94 WeakPolarHBondContact O-CB 3.47Å; G89-L128 WeakPolarHBondContact CA-O 2.82Å; G89-R130 VanDerWaalsContact O-CZ 3.28Å; G89-R130 PolarHBondContact O-NE 2.84Å; G89-R130 PolarHBondContact O-NH2 3Å
90F87.9Confident90.4Very high128 Ų12828.7 Ų28.756%0.56116%0.162SC*.SBendtrans-111.25179.1-66.9-7.1000113.8D94 M127 L128 R130F90-D94 PolarHBondContact N-OD2 3.49Å; F90-D94 VanDerWaalsContact N-OD2 3.14Å; F90-M127 WeakPolarHBondContact CZ-O 3.4Å; F90-L128 WeakPolarHBondContact CD1-O 3.44Å; F90-L128 HydrophobicContact CD2-CD2 3.91Å; F90-L128 HydrophobicContact CE2-CB 4.46Å; F90-L128 HydrophobicContact CE2-CD2 3.52Å; F90-L128 HydrophobicContact CZ-CD2 4.27Å; F90-R130 HydrophobicContact CD1-CG 4.03Å; F90-R130 HydrophobicContact CE1-CG 3.69Å
91A87.4Confident90.7Very high54 Ų5432.5 Ų32.545%0.44618%0.177SC..SBendtrans-73.4157.1178.600000111.3R93 D94A91-R93 PolarHBondContact O-N 2.89Å; A91-D94 WeakPolarHBondContact CA-OD2 3.11Å; A91-D94 WeakPolarHBondContact CB-OD2 3.4Å; A91-D94 PolarHBondContact N-OD2 3.39Å; A91-D94 WeakPolarHBondContact O-CB 3.38Å; A91-D94 PolarHBondContact O-N 2.88Å
92P85.5Confident90.8Very high134 Ų13438.2 Ų38.287%0.8720%0.204SC*.THydrogen-bonded Turntrans-63.4-6.1178.9-24.635.5000116.2
93R88.9Confident90.7Very high84 Ų8438.3 Ų38.332%0.31721%0.205SC..THydrogen-bonded Turntrans-104.4-8171.6-64.4-66.6-77.6172.5-9.5113.2D24 D61 E62 A91 V95D24-R93 VanDerWaalsContact CG-NH2 3.26Å; D24-R93 IonicContact OD1-CZ 2.8Å; D24-R93 IonicContact OD1-NE 3.72Å; D24-R93 IonicContact OD1-NH2 2.74Å; D24-R93 PolarHBondContact OD1-NH2 2.82Å; D24-R93 IonicContact OD2-CZ 2.68Å; D24-R93 VanDerWaalsContact OD2-CZ 3.29Å; D24-R93 IonicContact OD2-NE 2.61Å; D24-R93 PolarHBondContact OD2-NE 3.42Å; D24-R93 IonicContact OD2-NH2 2.64Å; D24-R93 PolarHBondContact OD2-NH2 3.47Å; D61-R93 HydrophobicContact CB-CB 3.99Å; D61-R93 WeakPolarHBondContact CB-O 3.24Å; D61-R93 PolarHBondContact O-NH1 3.48Å; D61-R93 VanDerWaalsContact O-NH1 3.16Å; E62-R93 VanDerWaalsContact CD-NH1 3.3Å; E62-R93 IonicContact OE1-CZ 3.79Å; E62-R93 IonicContact OE1-NH1 2.82Å; E62-R93 PolarHBondContact OE1-NH1 2.84Å; E62-R93 IonicContact OE1-NH2 3.55Å; E62-R93 PolarHBondContact OE1-NH2 2.98Å; E62-R93 IonicContact OE2-NH1 3.91Å; E62-R93 PolarHBondContact OE2-NH1 3.37Å; A91-R93 PolarHBondContact O-N 2.89Å; R93-V95 VanDerWaalsContact C-N 3.33Å; R93-V95 PolarHBondContact O-N 2.76Å
94D90.3Very high90.7Very high35 Ų3539.3 Ų39.319%0.18721%0.21CC..  trans-72.886.8175.4-74.8-64.6000110G87 T88 G89 F90 A91 R130G87-D94 WeakPolarHBondContact CA-OD1 3.32Å; G87-D94 CarbonylContact O-C 3.52Å; G87-D94 WeakPolarHBondContact O-CA 3.39Å; G87-D94 WeakPolarHBondContact O-CB 3.12Å; T88-D94 PolarHBondContact N-OD1 3.44Å; T88-D94 VanDerWaalsContact N-OD1 3.16Å; G89-D94 VanDerWaalsContact C-CG 3.41Å; G89-D94 WeakPolarHBondContact CA-OD1 3.27Å; G89-D94 WeakPolarHBondContact CA-OD2 3.25Å; G89-D94 PolarHBondContact N-OD1 3.06Å; G89-D94 PolarHBondContact N-OD2 3.32Å; G89-D94 WeakPolarHBondContact O-CB 3.47Å; F90-D94 PolarHBondContact N-OD2 3.49Å; F90-D94 VanDerWaalsContact N-OD2 3.14Å; A91-D94 WeakPolarHBondContact CA-OD2 3.11Å; A91-D94 WeakPolarHBondContact CB-OD2 3.4Å; A91-D94 PolarHBondContact N-OD2 3.39Å; A91-D94 WeakPolarHBondContact O-CB 3.38Å; A91-D94 PolarHBondContact O-N 2.88Å; D94-R130 PolarHBondContact O-NH2 3.34Å
95V92.6Very high90.6Very high25 Ų2545.2 Ų45.215%0.15224%0.237CC..  trans-116.91.5-173.8-59.80000114.8I63 I66 G87 R93 E98 A99I63-V95 HydrophobicContact CD1-CB 4.27Å; I63-V95 HydrophobicContact CD1-CG1 4.47Å; I63-V95 HydrophobicContact CG1-CB 3.75Å; I63-V95 HydrophobicContact CG1-CG1 4.33Å; I63-V95 HydrophobicContact CG1-CG2 3.89Å; I66-V95 HydrophobicContact CD1-CG2 3.98Å; G87-V95 PolarHBondContact O-N 2.84Å; R93-V95 VanDerWaalsContact C-N 3.33Å; R93-V95 PolarHBondContact O-N 2.76Å; V95-E98 WeakPolarHBondContact O-CB 3.48Å; V95-E98 PolarHBondContact O-N 3.13Å; V95-A99 PolarHBondContact O-N 2.99Å
96T92Very high90.6Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-61.2-38.9179.5-39.40000113.5V22 I66 T84 G86 G87 A99 T100 N143V22-T96 HydrophobicContact CG2-CG2 4.02Å; I66-T96 HydrophobicContact CG2-CG2 4.47Å; T84-T96 WeakPolarHBondContact OG1-CG2 3.2Å; G86-T96 WeakPolarHBondContact O-CB 3.42Å; G86-T96 PolarHBondContact O-OG1 3.33Å; G87-T96 VanDerWaalsContact CA-OG1 3.25Å; G87-T96 WeakPolarHBondContact CA-OG1 3.43Å; G87-T96 PolarHBondContact O-N 2.74Å; G87-T96 VanDerWaalsContact O-N 3.12Å; G87-T96 PolarHBondContact O-OG1 2.97Å; T96-A99 PolarHBondContact O-N 2.88Å; T96-T100 WeakPolarHBondContact O-CB 3.29Å; T96-T100 PolarHBondContact O-N 3.42Å; T96-T100 PolarHBondContact O-OG1 3.48Å; T96-T100 VanDerWaalsContact O-OG1 3.04Å; T96-N143 PolarHBondContact O-ND2 3.06Å; T96-N143 VanDerWaalsContact O-ND2 3.09Å
97P93.2Very high90.8Very high2 Ų256.6 Ų56.61%0.01328%0.283CS..Hα-helixtrans-61.4-41.8175.6-25.236.4000113G87 K101 R130 V132G87-P97 WeakPolarHBondContact O-CD 3.35Å; P97-K101 WeakPolarHBondContact O-CB 3.34Å; P97-K101 WeakPolarHBondContact O-CG 3.26Å; P97-K101 PolarHBondContact O-N 3.09Å; P97-K101 VanDerWaalsContact O-N 3.11Å; P97-R130 HydrophobicContact CB-CB 4.42Å; P97-R130 HydrophobicContact CG-CB 3.99Å; P97-R130 VanDerWaalsContact CG-O 3.23Å; P97-R130 WeakPolarHBondContact CG-O 3.46Å; P97-V132 HydrophobicContact CB-CG2 3.8Å
98E94.1Very high91Very high81 Ų8157.2 Ų57.238%0.37929%0.287SS..Hα-helixtrans-62.8-52.9175.1-7559.8-144.300110.8V95 T100 K101 E102 R130V95-E98 WeakPolarHBondContact O-CB 3.48Å; V95-E98 PolarHBondContact O-N 3.13Å; E98-T100 PolarHBondContact O-N 2.82Å; E98-K101 PolarHBondContact O-N 2.96Å; E98-K101 VanDerWaalsContact O-N 3.15Å; E98-E102 PolarHBondContact O-N 2.84Å; E98-R130 IonicContact OE1-CZ 2.82Å; E98-R130 IonicContact OE1-NH1 3.44Å; E98-R130 PolarHBondContact OE1-NH1 2.99Å; E98-R130 IonicContact OE2-CZ 2.66Å; E98-R130 IonicContact OE2-NH1 3.19Å; E98-R130 PolarHBondContact OE2-NH1 3.37Å; E98-R130 IonicContact OE2-NH2 3.99Å
99A92.3Very high91.1Very high0 Ų060.8 Ų60.80%031%0.311CS..Hα-helixtrans-59.7-43.7179.700000112.6I63 I66 V95 T96 K101 E102 V103I63-A99 HydrophobicContact CG2-CB 4.12Å; I66-A99 HydrophobicContact CB-CB 3.88Å; I66-A99 HydrophobicContact CD1-CB 4.31Å; I66-A99 HydrophobicContact CG2-CB 3.63Å; V95-A99 PolarHBondContact O-N 2.99Å; T96-A99 PolarHBondContact O-N 2.88Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-K101 PolarHBondContact O-N 3.37Å; A99-E102 PolarHBondContact O-N 3.16Å; A99-V103 WeakPolarHBondContact O-CG2 3.33Å
100T92.7Very high91.2Very high0 Ų062.5 Ų62.50%033%0.328CS..Hα-helixtrans-63.7-38.2176.4-60.50000111.9T96 E98 E102 V103 I104 V132 I141 N143T96-T100 WeakPolarHBondContact O-CB 3.29Å; T96-T100 PolarHBondContact O-N 3.42Å; T96-T100 PolarHBondContact O-OG1 3.48Å; T96-T100 VanDerWaalsContact O-OG1 3.04Å; E98-T100 PolarHBondContact O-N 2.82Å; T100-E102 VanDerWaalsContact C-N 3.27Å; T100-E102 PolarHBondContact O-N 3.21Å; T100-V103 PolarHBondContact O-N 3.13Å; T100-V103 VanDerWaalsContact O-N 3.08Å; T100-I104 HydrophobicContact CG2-CG2 3.89Å; T100-I104 WeakPolarHBondContact O-CG1 3.13Å; T100-I104 WeakPolarHBondContact O-CG2 3.45Å; T100-I104 PolarHBondContact O-N 3.05Å; T100-I104 VanDerWaalsContact O-N 3.1Å; T100-V132 HydrophobicContact CG2-CG1 3.85Å; T100-I141 HydrophobicContact CG2-CB 4.41Å; T100-I141 HydrophobicContact CG2-CG2 3.87Å; T100-N143 WeakPolarHBondContact CB-ND2 3.46Å; T100-N143 PolarHBondContact OG1-ND2 2.94Å; T100-N143 PolarHBondContact OG1-OD1 2.91Å
101K93.3Very high91.3Very high102 Ų10257.7 Ų57.744%0.44331%0.308SS..Hα-helixtrans-64.8-25.9178.5-83.5172.7176.8-83.10113.9P97 E98 A99 E107 V132P97-K101 WeakPolarHBondContact O-CB 3.34Å; P97-K101 WeakPolarHBondContact O-CG 3.26Å; P97-K101 PolarHBondContact O-N 3.09Å; P97-K101 VanDerWaalsContact O-N 3.11Å; E98-K101 PolarHBondContact O-N 2.96Å; E98-K101 VanDerWaalsContact O-N 3.15Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-K101 PolarHBondContact O-N 3.37Å; K101-E107 IonicContact NZ-OE1 3.72Å; K101-E107 PolarHBondContact NZ-OE1 3.42Å; K101-V132 HydrophobicContact CD-CG2 4.39Å; K101-V132 HydrophobicContact CG-CG1 4.1Å; K101-V132 HydrophobicContact CG-CG2 4.34Å
102E92Very high91.5Very high120 Ų12055.9 Ų55.956%0.56129%0.292SS*.Hα-helixtrans-82.6-12.4173.4-67-164.9-176.500114.1K67 E98 A99 T100K67-E102 IonicContact NZ-OE2 2.79Å; K67-E102 PolarHBondContact NZ-OE2 2.75Å; E98-E102 PolarHBondContact O-N 2.84Å; A99-E102 PolarHBondContact O-N 3.16Å; T100-E102 VanDerWaalsContact C-N 3.27Å; T100-E102 PolarHBondContact O-N 3.21Å
103V92.4Very high91.8Very high3 Ų353.9 Ų53.92%0.01827%0.273CS..Hα-helixtrans-100.6-35.3-177175.10000112.6K67 L70 V71 A99 T100 R136 I141K67-V103 HydrophobicContact CB-CG2 4.23Å; K67-V103 HydrophobicContact CG-CG2 3.75Å; L70-V103 HydrophobicContact CB-CG1 3.93Å; L70-V103 HydrophobicContact CB-CG2 4.22Å; L70-V103 HydrophobicContact CD1-CG2 4.36Å; V71-V103 HydrophobicContact CG2-CG1 4.15Å; V71-V103 HydrophobicContact CG2-CG2 4.26Å; A99-V103 WeakPolarHBondContact O-CG2 3.33Å; T100-V103 PolarHBondContact O-N 3.13Å; T100-V103 VanDerWaalsContact O-N 3.08Å; V103-R136 WeakPolarHBondContact O-CD 3.35Å; V103-R136 PolarHBondContact O-NH1 2.87Å; V103-I141 HydrophobicContact CG1-CD1 4.02Å
104I93.1Very high91.9Very high21 Ų2151.9 Ų51.911%0.10828%0.275CS..  trans-76.2141.5-177.162.8-173.3000112.4T100 E107 V132 I141T100-I104 HydrophobicContact CG2-CG2 3.89Å; T100-I104 WeakPolarHBondContact O-CG1 3.13Å; T100-I104 WeakPolarHBondContact O-CG2 3.45Å; T100-I104 PolarHBondContact O-N 3.05Å; T100-I104 VanDerWaalsContact O-N 3.1Å; I104-E107 HydrophobicContact CD1-CG 3.99Å; I104-V132 HydrophobicContact CD1-CG1 3.96Å; I104-I141 HydrophobicContact CG2-CB 4.43Å; I104-I141 HydrophobicContact CG2-CD1 4.02Å
105E91.8Very high92Very high124 Ų12450.3 Ų50.358%0.57927%0.266SS*.SBendtrans-89-28.1176-57.7170.7141.100111.6I135 R136 G137E105-I135 PolarHBondContact N-O 3.38Å; E105-R136 HydrophobicContact CG-CG 4.41Å; E105-G137 PolarHBondContact OE2-N 2.9Å
106R90.9Very high92Very high140 Ų14051.5 Ų51.553%0.52827%0.272SS..EExtended strand (participates in β ladder)trans-140.2127.7-178.7-65.3178.6-74.4168.4-3109.9G134 I135R106-G134 CarbonylContact O-C 3.54Å; R106-G134 WeakPolarHBondContact O-CA 3.09Å; R106-I135 HydrophobicContact CB-CB 4.45Å; R106-I135 PolarHBondContact N-O 3.4Å; R106-I135 PolarHBondContact O-N 3.39Å
107E92.4Very high91.9Very high107 Ų10756.8 Ų56.850%0.530%0.297SS..EExtended strand (participates in β ladder)trans-73.2146.5171.6-60.7-162.1145.800111.5K101 I104 P109K101-E107 IonicContact NZ-OE1 3.72Å; K101-E107 PolarHBondContact NZ-OE1 3.42Å; I104-E107 HydrophobicContact CD1-CG 3.99Å; E107-P109 VanDerWaalsContact O-CD 3.23Å; E107-P109 WeakPolarHBondContact O-CD 3.32Å
108A91.1Very high91.7Very high19 Ų1957.1 Ų57.116%0.15730%0.302CS..  trans-115.759.5174.200000110.9G110 M111 C133A108-G110 PolarHBondContact O-N 3.3Å; A108-M111 PolarHBondContact O-N 3Å; A108-C133 HydrophobicContact CB-CB 4.02Å; A108-C133 PolarHBondContact N-O 2.87Å
109P91.6Very high91.4Very high81 Ų8154.1 Ų54.153%0.52629%0.289SS..Hα-helixtrans-63.3-21.8-166.226.7-36.6000114E107 M111 S112 L113E107-P109 VanDerWaalsContact O-CD 3.23Å; E107-P109 WeakPolarHBondContact O-CD 3.32Å; P109-M111 VanDerWaalsContact C-N 3.32Å; P109-M111 PolarHBondContact O-N 2.84Å; P109-S112 PolarHBondContact O-N 2.95Å; P109-L113 VanDerWaalsContact O-CB 3.28Å; P109-L113 WeakPolarHBondContact O-CB 3.12Å; P109-L113 PolarHBondContact O-N 2.74Å
110G90.4Very high91.3Very high53 Ų5357.5 Ų57.555%0.54631%0.307SS..Hα-helixtrans-60.9-37.4174.600000113.4A108 A114A108-G110 PolarHBondContact O-N 3.3Å; G110-A114 WeakPolarHBondContact O-CB 3.22Å; G110-A114 PolarHBondContact O-N 2.88Å
111M90.3Very high91.1Very high27 Ų2764.3 Ų64.313%0.13334%0.343CS..Hα-helixtrans-73.3-41177.4-62.4-173.678.700111.3A108 P109 L113 A114 M115 C133 L140 I142 I158 L162A108-M111 PolarHBondContact O-N 3Å; P109-M111 VanDerWaalsContact C-N 3.32Å; P109-M111 PolarHBondContact O-N 2.84Å; M111-L113 VanDerWaalsContact C-N 3.32Å; M111-L113 PolarHBondContact O-N 3.49Å; M111-A114 PolarHBondContact O-N 2.71Å; M111-M115 WeakPolarHBondContact O-CG 3.19Å; M111-M115 PolarHBondContact O-N 3.48Å; M111-C133 HydrophobicContact CB-CB 4.02Å; M111-L140 HydrophobicContact CE-CD2 4.24Å; M111-L140 HydrophobicContact SD-CD1 4.24Å; M111-L140 HydrophobicContact SD-CD2 4.11Å; M111-I142 HydrophobicContact CE-CD1 3.67Å; M111-I142 HydrophobicContact SD-CD1 4.44Å; M111-I158 HydrophobicContact CB-CG2 4.45Å; M111-I158 HydrophobicContact CE-CB 3.95Å; M111-I158 HydrophobicContact CE-CD1 4.4Å; M111-I158 HydrophobicContact CE-CG2 4.19Å; M111-L162 HydrophobicContact CE-CD1 3.98Å
112S91.2Very high90.7Very high16 Ų1662.6 Ų62.611%0.11234%0.341CS..Hα-helixtrans-61.4-41.2174.7-44.20000111.5P109 L116 P131 C133P109-S112 PolarHBondContact O-N 2.95Å; S112-L116 WeakPolarHBondContact O-CB 3.37Å; S112-L116 PolarHBondContact O-N 3.32Å; S112-P131 WeakPolarHBondContact CB-O 3.4Å; S112-C133 WeakPolarHBondContact OG-CB 3.36Å; S112-C133 PolarHBondContact OG-N 2.98Å; S112-C133 PolarHBondContact OG-SG 3.49Å
113L92Very high90.3Very high92 Ų9259.2 Ų59.248%0.48233%0.329SS..Hα-helixtrans-67.7-40.6175.9-173.363.1000112.2P109 M111 L116 M117P109-L113 VanDerWaalsContact O-CB 3.28Å; P109-L113 WeakPolarHBondContact O-CB 3.12Å; P109-L113 PolarHBondContact O-N 2.74Å; M111-L113 VanDerWaalsContact C-N 3.32Å; M111-L113 PolarHBondContact O-N 3.49Å; L113-L116 PolarHBondContact O-N 2.66Å; L113-M117 HydrophobicContact CD1-CE 4.04Å; L113-M117 HydrophobicContact CD1-CG 4.36Å; L113-M117 HydrophobicContact CD2-CE 4.17Å; L113-M117 HydrophobicContact CG-CE 4.05Å; L113-M117 HydrophobicContact CG-CG 4.42Å; L113-M117 HydrophobicContact CG-SD 4.27Å; L113-M117 WeakPolarHBondContact O-CB 3.48Å; L113-M117 WeakPolarHBondContact O-CG 3.43Å; L113-M117 PolarHBondContact O-N 2.9Å
114A91.2Very high89.9Confident42 Ų4263.4 Ų63.435%0.34736%0.357SS..Hα-helixtrans-61.2-45.7176.200000111.9G110 M111 L116 M117 G118G110-A114 WeakPolarHBondContact O-CB 3.22Å; G110-A114 PolarHBondContact O-N 2.88Å; M111-A114 PolarHBondContact O-N 2.71Å; A114-L116 PolarHBondContact O-N 3.21Å; A114-M117 PolarHBondContact O-N 2.82Å; A114-G118 PolarHBondContact O-N 2.74Å
115M92.2Very high89.4Confident1 Ų168.2 Ų68.21%0.00538%0.382CS..Hα-helixtrans-62.6-40.9174.9-68.7-172-63.700112.4M111 S119 P131 C133 I142 L144 C154 I158M111-M115 WeakPolarHBondContact O-CG 3.19Å; M111-M115 PolarHBondContact O-N 3.48Å; M115-S119 VanDerWaalsContact O-CB 3.27Å; M115-S119 WeakPolarHBondContact O-CB 3.49Å; M115-S119 PolarHBondContact O-N 3.01Å; M115-S119 PolarHBondContact O-OG 2.72Å; M115-P131 HydrophobicContact CE-CB 3.78Å; M115-C133 WeakPolarHBondContact CE-SG 3.17Å; M115-I142 HydrophobicContact CE-CG2 3.92Å; M115-I142 HydrophobicContact SD-CG2 4.12Å; M115-L144 HydrophobicContact SD-CD2 3.55Å; M115-L144 VanDerWaalsContact SD-CD2 3.55Å; M115-C154 HydrophobicContact CB-CB 4.35Å; M115-C154 HydrophobicContact CG-CB 4.12Å; M115-C154 HydrophobicContact SD-CB 3.81Å; M115-I158 HydrophobicContact CG-CG2 3.42Å; M115-I158 VanDerWaalsContact CG-CG2 3.42Å; M115-I158 HydrophobicContact SD-CD1 4.2Å; M115-I158 HydrophobicContact SD-CG2 3.95Å
116L91.3Very high89Confident51 Ų5162.8 Ų62.827%0.26736%0.359SS..Hα-helixtrans-69.4-42.1179.9-169.9129000111.9S112 L113 A114 S119 L120 P131S112-L116 WeakPolarHBondContact O-CB 3.37Å; S112-L116 PolarHBondContact O-N 3.32Å; L113-L116 PolarHBondContact O-N 2.66Å; A114-L116 PolarHBondContact O-N 3.21Å; L116-S119 PolarHBondContact O-N 2.96Å; L116-L120 HydrophobicContact CD2-CD1 3.75Å; L116-L120 HydrophobicContact CG-CD1 4.39Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.42Å; L116-L120 PolarHBondContact O-N 3.16Å; L116-P131 HydrophobicContact CB-CG 4.49Å; L116-P131 HydrophobicContact CD1-CG 4.46Å
117M90.4Very high88.8Confident110 Ų11061.7 Ų61.754%0.54236%0.361SS..Hα-helixtrans-63.5-44.6173.2-74.8-175.1169.900112.1L113 A114 L120 N121L113-M117 HydrophobicContact CD1-CE 4.04Å; L113-M117 HydrophobicContact CD1-CG 4.36Å; L113-M117 HydrophobicContact CD2-CE 4.17Å; L113-M117 HydrophobicContact CG-CE 4.05Å; L113-M117 HydrophobicContact CG-CG 4.42Å; L113-M117 HydrophobicContact CG-SD 4.27Å; L113-M117 WeakPolarHBondContact O-CB 3.48Å; L113-M117 WeakPolarHBondContact O-CG 3.43Å; L113-M117 PolarHBondContact O-N 2.9Å; A114-M117 PolarHBondContact O-N 2.82Å; M117-L120 PolarHBondContact O-N 3.16Å; M117-N121 PolarHBondContact O-N 2.7Å; M117-N121 PolarHBondContact O-ND2 3.41Å
118G88.9Confident88.5Confident10 Ų1060.3 Ų60.310%0.10336%0.357CS..Hα-helixtrans-60.9-46.1175.100000112.2A114 L120 N121 V122 F157A114-G118 PolarHBondContact O-N 2.74Å; G118-L120 PolarHBondContact O-N 2.75Å; G118-N121 WeakPolarHBondContact O-CB 3.41Å; G118-N121 PolarHBondContact O-N 2.8Å; G118-V122 PolarHBondContact O-N 3.3Å; G118-F157 WeakPolarHBondContact O-CZ 3.49Å
119S89.2Confident88.3Confident17 Ų1760.5 Ų60.512%0.11936%0.357CS..Hα-helixtrans-60.4-42.1178-61.70000112.5M115 L116 N121 V122 T123 C154M115-S119 VanDerWaalsContact O-CB 3.27Å; M115-S119 WeakPolarHBondContact O-CB 3.49Å; M115-S119 PolarHBondContact O-N 3.01Å; M115-S119 PolarHBondContact O-OG 2.72Å; L116-S119 PolarHBondContact O-N 2.96Å; S119-N121 VanDerWaalsContact C-N 3.26Å; S119-N121 PolarHBondContact O-N 3.15Å; S119-V122 PolarHBondContact O-N 3.37Å; S119-T123 PolarHBondContact O-N 3.19Å; S119-T123 VanDerWaalsContact O-O 3.11Å; S119-C154 PolarHBondContact OG-SG 3.41Å; S119-C154 VanDerWaalsContact OG-SG 3.39Å
120L89.1Confident88.3Confident71 Ų7160 Ų6037%0.37235%0.345SS..Hα-helixtrans-65-27.1178.8-75.3170000113.4L116 M117 G118 V122 M127L116-L120 HydrophobicContact CD2-CD1 3.75Å; L116-L120 HydrophobicContact CG-CD1 4.39Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.42Å; L116-L120 PolarHBondContact O-N 3.16Å; M117-L120 PolarHBondContact O-N 3.16Å; G118-L120 PolarHBondContact O-N 2.75Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-M127 HydrophobicContact CD2-CB 4.12Å
121N87.8Confident88.4Confident143 Ų14358.5 Ų58.577%0.76533%0.325SS*.Hα-helixtrans-73.3-22.2173-66.3-34.7000112.9M117 G118 S119M117-N121 PolarHBondContact O-N 2.7Å; M117-N121 PolarHBondContact O-ND2 3.41Å; G118-N121 WeakPolarHBondContact O-CB 3.41Å; G118-N121 PolarHBondContact O-N 2.8Å; S119-N121 VanDerWaalsContact C-N 3.26Å; S119-N121 PolarHBondContact O-N 3.15Å
122V86.3Confident88.5Confident66 Ų6657.8 Ų57.840%0.432%0.322SS..Hα-helixtrans-96.3-39.6179.3179.90000112.1G118 S119 L120 F157G118-V122 PolarHBondContact O-N 3.3Å; S119-V122 PolarHBondContact O-N 3.37Å; L120-V122 VanDerWaalsContact C-N 3.3Å; V122-F157 HydrophobicContact CG2-CZ 3.99Å
123T82.2Confident88.7Confident50 Ų5057.1 Ų57.131%0.30732%0.318SS..  trans-153.1135.2-179.31770000112.1S119 L125 G126S119-T123 PolarHBondContact O-N 3.19Å; S119-T123 VanDerWaalsContact O-O 3.11Å; T123-L125 PolarHBondContact O-N 2.65Å; T123-L125 VanDerWaalsContact O-N 3.14Å; T123-L125 PolarHBondContact OG1-N 2.9Å; T123-G126 PolarHBondContact O-N 3.42Å
124P84.8Confident88.8Confident91 Ų9152.7 Ų52.759%0.59130%0.295SS*.G310 helixtrans-61.7-2317427-35.1000112.3G126 M127P124-G126 PolarHBondContact O-N 2.91Å; P124-G126 VanDerWaalsContact O-N 3.14Å; P124-M127 HydrophobicContact CB-CE 4.42Å; P124-M127 WeakPolarHBondContact O-CE 3.28Å; P124-M127 WeakPolarHBondContact O-CG 3.43Å; P124-M127 PolarHBondContact O-N 2.81Å
125L83Confident88.8Confident121 Ų12151.9 Ų51.963%0.63428%0.284SS*.G310 helixtrans-65.9-11.5175.9-59178.2000113.2T123 M127 L128T123-L125 PolarHBondContact O-N 2.65Å; T123-L125 VanDerWaalsContact O-N 3.14Å; T123-L125 PolarHBondContact OG1-N 2.9Å; L125-M127 PolarHBondContact O-N 3.45Å; L125-M127 VanDerWaalsContact O-N 3.15Å; L125-L128 HydrophobicContact CD2-CD1 4.04Å; L125-L128 WeakPolarHBondContact O-CB 3.34Å; L125-L128 PolarHBondContact O-N 2.84Å
126G82.2Confident88.7Confident10 Ų1054.3 Ų54.310%0.10329%0.293CS..G310 helixtrans-56.9-24.7172.400000113.7T123 P124 L128 S129T123-G126 PolarHBondContact O-N 3.42Å; P124-G126 PolarHBondContact O-N 2.91Å; P124-G126 VanDerWaalsContact O-N 3.14Å; G126-L128 PolarHBondContact O-N 3.36Å; G126-S129 PolarHBondContact O-N 3.26Å
127M86.5Confident88.4Confident117 Ų11753.8 Ų53.858%0.57630%0.3SS*.G310 helixtrans-65.9-12.2174.875.7179.572.500114.6F90 L120 P124 L125F90-M127 WeakPolarHBondContact CZ-O 3.4Å; L120-M127 HydrophobicContact CD2-CB 4.12Å; P124-M127 HydrophobicContact CB-CE 4.42Å; P124-M127 WeakPolarHBondContact O-CE 3.28Å; P124-M127 WeakPolarHBondContact O-CG 3.43Å; P124-M127 PolarHBondContact O-N 2.81Å; L125-M127 PolarHBondContact O-N 3.45Å; L125-M127 VanDerWaalsContact O-N 3.15Å
128L86.6Confident88.3Confident79 Ų7953.5 Ų53.541%0.41430%0.296SS..G310 helixtrans-92-0.5-178.7-54179.1000113.2G89 F90 L125 G126G89-L128 WeakPolarHBondContact CA-O 2.82Å; F90-L128 WeakPolarHBondContact CD1-O 3.44Å; F90-L128 HydrophobicContact CD2-CD2 3.91Å; F90-L128 HydrophobicContact CE2-CB 4.46Å; F90-L128 HydrophobicContact CE2-CD2 3.52Å; F90-L128 HydrophobicContact CZ-CD2 4.27Å; L125-L128 HydrophobicContact CD2-CD1 4.04Å; L125-L128 WeakPolarHBondContact O-CB 3.34Å; L125-L128 PolarHBondContact O-N 2.84Å; G126-L128 PolarHBondContact O-N 3.36Å
129S87.6Confident88.3Confident22 Ų2253.2 Ų53.215%0.15429%0.292CS..  trans-99.8142.3174.3-167.60000110.9T88 G126 P131T88-S129 PolarHBondContact OG1-OG 2.75Å; G126-S129 PolarHBondContact O-N 3.26Å; S129-P131 WeakPolarHBondContact O-CD 3.4Å
130R92Very high88.5Confident70 Ų7052.6 Ų52.626%0.26429%0.288SS..  trans-113.464.8177.2-60.2-179.1-66.9120.15.8110.3T88 G89 F90 D94 P97 E98 V132T88-R130 PolarHBondContact O-N 3.08Å; G89-R130 VanDerWaalsContact O-CZ 3.28Å; G89-R130 PolarHBondContact O-NE 2.84Å; G89-R130 PolarHBondContact O-NH2 3Å; F90-R130 HydrophobicContact CD1-CG 4.03Å; F90-R130 HydrophobicContact CE1-CG 3.69Å; D94-R130 PolarHBondContact O-NH2 3.34Å; P97-R130 HydrophobicContact CB-CB 4.42Å; P97-R130 HydrophobicContact CG-CB 3.99Å; P97-R130 VanDerWaalsContact CG-O 3.23Å; P97-R130 WeakPolarHBondContact CG-O 3.46Å; E98-R130 IonicContact OE1-CZ 2.82Å; E98-R130 IonicContact OE1-NH1 3.44Å; E98-R130 PolarHBondContact OE1-NH1 2.99Å; E98-R130 IonicContact OE2-CZ 2.66Å; E98-R130 IonicContact OE2-NH1 3.19Å; E98-R130 PolarHBondContact OE2-NH1 3.37Å; E98-R130 IonicContact OE2-NH2 3.99Å; R130-V132 PolarHBondContact O-N 2.92Å
131P91.3Very high88.7Confident22 Ų2249.2 Ų49.214%0.14327%0.27CS..  trans-61.8135.9179.426.9-33.8000110.5S112 M115 L116 S129S112-P131 WeakPolarHBondContact CB-O 3.4Å; M115-P131 HydrophobicContact CE-CB 3.78Å; L116-P131 HydrophobicContact CB-CG 4.49Å; L116-P131 HydrophobicContact CD1-CG 4.46Å; S129-P131 WeakPolarHBondContact O-CD 3.4Å
132V93.5Very high89.1Confident12 Ų1242.4 Ų42.47%0.07323%0.233CC..  trans-121.7135.5170.7171.40000107.5P97 T100 K101 I104 R130 N143P97-V132 HydrophobicContact CB-CG2 3.8Å; T100-V132 HydrophobicContact CG2-CG1 3.85Å; K101-V132 HydrophobicContact CD-CG2 4.39Å; K101-V132 HydrophobicContact CG-CG1 4.1Å; K101-V132 HydrophobicContact CG-CG2 4.34Å; I104-V132 HydrophobicContact CD1-CG1 3.96Å; R130-V132 PolarHBondContact O-N 2.92Å; V132-N143 WeakPolarHBondContact O-CB 3.21Å; V132-N143 PolarHBondContact O-N 2.75Å
133C95Very high89.5Confident2 Ų239.2 Ų39.21%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-127.1143.7170.7-55.10000108A108 M111 S112 M115 I141A108-C133 HydrophobicContact CB-CB 4.02Å; A108-C133 PolarHBondContact N-O 2.87Å; M111-C133 HydrophobicContact CB-CB 4.02Å; S112-C133 WeakPolarHBondContact OG-CB 3.36Å; S112-C133 PolarHBondContact OG-N 2.98Å; S112-C133 PolarHBondContact OG-SG 3.49Å; M115-C133 WeakPolarHBondContact CE-SG 3.17Å; C133-I141 VanDerWaalsContact CA-O 3.29Å; C133-I141 WeakPolarHBondContact CA-O 3.48Å
134G93.1Very high90Very high0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-170.3175.6177.700000112.9R106 I141R106-G134 CarbonylContact O-C 3.54Å; R106-G134 WeakPolarHBondContact O-CA 3.09Å; G134-I141 PolarHBondContact N-O 2.94Å; G134-I141 PolarHBondContact O-N 2.99Å
135I92.3Very high90.3Very high24 Ų2433.4 Ų33.412%0.12318%0.177CC..EExtended strand (participates in β ladder)trans-120.9137.3-172.3-60.5152.9000108.5E105 R106 T139 L140 L169E105-I135 PolarHBondContact N-O 3.38Å; R106-I135 HydrophobicContact CB-CB 4.45Å; R106-I135 PolarHBondContact N-O 3.4Å; R106-I135 PolarHBondContact O-N 3.39Å; I135-T139 WeakPolarHBondContact CA-O 3.44Å; I135-L140 HydrophobicContact CG1-CD1 4.11Å; I135-L169 HydrophobicContact CD1-CD2 3.99Å; I135-L169 HydrophobicContact CG1-CD1 4.13Å; I135-L169 HydrophobicContact CG1-CD2 4.13Å; I135-L169 HydrophobicContact CG2-CD1 4.38Å; I135-L169 HydrophobicContact CG2-CD2 3.65Å
136R89.1Confident90.3Very high52 Ų5229.5 Ų29.520%0.19617%0.166CC..EExtended strand (participates in β ladder)trans-130120.2166.9179.2-179.6-179.689.42.7107.8C74 D75 V103 E105 K138 T139C74-R136 HydrophobicContact CB-CG 4.19Å; D75-R136 IonicContact OD1-CZ 3.41Å; D75-R136 IonicContact OD1-NE 2.7Å; D75-R136 PolarHBondContact OD1-NE 3.05Å; D75-R136 IonicContact OD1-NH2 2.65Å; D75-R136 IonicContact OD2-CZ 2.75Å; D75-R136 IonicContact OD2-NE 2.8Å; D75-R136 PolarHBondContact OD2-NE 2.85Å; D75-R136 IonicContact OD2-NH2 3.6Å; D75-R136 PolarHBondContact OD2-NH2 2.88Å; V103-R136 WeakPolarHBondContact O-CD 3.35Å; V103-R136 PolarHBondContact O-NH1 2.87Å; E105-R136 HydrophobicContact CG-CG 4.41Å; R136-K138 PolarHBondContact O-N 2.73Å; R136-T139 PolarHBondContact N-O 2.78Å; R136-T139 WeakPolarHBondContact O-CB 3.42Å; R136-T139 PolarHBondContact O-N 2.91Å
137G86.7Confident90.5Very high40 Ų4032.3 Ų32.341%0.41219%0.185SC..THydrogen-bonded Turntrans53.4-112.2-172.600000111.7E105E105-G137 PolarHBondContact OE2-N 2.9Å
138K87Confident90.5Very high104 Ų10431.3 Ų31.345%0.45218%0.177SC..THydrogen-bonded Turntrans-106.78.6177.5-62.2-163.8164.7-166.40114.2R136 L169 R170 D171R136-K138 PolarHBondContact O-N 2.73Å; K138-L169 WeakPolarHBondContact CB-O 3.34Å; K138-L169 WeakPolarHBondContact CD-O 3.39Å; K138-L169 VanDerWaalsContact CG-O 3.31Å; K138-L169 WeakPolarHBondContact CG-O 3.46Å; K138-R170 PolarHBondContact NZ-O 3.48Å; K138-D171 WeakPolarHBondContact CE-OD2 3.37Å; K138-D171 IonicContact NZ-OD2 2.95Å; K138-D171 PolarHBondContact NZ-OD2 3.04Å
139T89.6Confident90.5Very high5 Ų533.8 Ų33.83%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-102.8132.2-177.5-510000111.3L79 I82 I135 R136 I141L79-T139 VanDerWaalsContact O-CB 3.3Å; L79-T139 WeakPolarHBondContact O-CB 3.18Å; L79-T139 VanDerWaalsContact O-CG2 3.23Å; L79-T139 WeakPolarHBondContact O-CG2 3.42Å; L79-T139 PolarHBondContact O-OG1 3.12Å; I82-T139 HydrophobicContact CD1-CG2 3.76Å; I82-T139 HydrophobicContact CG1-CG2 3.79Å; I135-T139 WeakPolarHBondContact CA-O 3.44Å; R136-T139 PolarHBondContact N-O 2.78Å; R136-T139 WeakPolarHBondContact O-CB 3.42Å; R136-T139 PolarHBondContact O-N 2.91Å; T139-I141 HydrophobicContact CG2-CG1 4.44Å
140L92.8Very high90.3Very high3 Ų333.3 Ų33.32%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-94.1123.4170.8-176.759.9000110.1N80 L81 I82 M111 I135 I142 L162 A165 L169N80-L140 PolarHBondContact O-N 3.5Å; L81-L140 CarbonylContact C-O 3.51Å; L81-L140 WeakPolarHBondContact CA-O 3.46Å; L81-L140 HydrophobicContact CD1-CB 4.23Å; L81-L140 HydrophobicContact CD1-CD2 4.23Å; L81-L140 HydrophobicContact CD1-CG 4.23Å; I82-L140 PolarHBondContact N-O 3.4Å; M111-L140 HydrophobicContact CE-CD2 4.24Å; M111-L140 HydrophobicContact SD-CD1 4.24Å; M111-L140 HydrophobicContact SD-CD2 4.11Å; I135-L140 HydrophobicContact CG1-CD1 4.11Å; L140-I142 HydrophobicContact CD2-CD1 4.02Å; L140-I142 HydrophobicContact CG-CD1 4.12Å; L140-I142 HydrophobicContact CG-CG1 4.06Å; L140-L162 HydrophobicContact CD2-CD1 4.02Å; L140-A165 HydrophobicContact CD2-CB 4.22Å; L140-L169 HydrophobicContact CB-CD1 3.87Å
141I94.4Very high90.1Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-108.8130.7178-48.3-178.4000109.3L70 I82 T84 T100 V103 I104 C133 G134 T139L70-I141 HydrophobicContact CD2-CG2 4.13Å; I82-I141 HydrophobicContact CB-CG1 4.47Å; I82-I141 HydrophobicContact CB-CG2 4.44Å; I82-I141 HydrophobicContact CD1-CG1 4.42Å; T84-I141 HydrophobicContact CG2-CG2 4.47Å; T100-I141 HydrophobicContact CG2-CB 4.41Å; T100-I141 HydrophobicContact CG2-CG2 3.87Å; V103-I141 HydrophobicContact CG1-CD1 4.02Å; I104-I141 HydrophobicContact CG2-CB 4.43Å; I104-I141 HydrophobicContact CG2-CD1 4.02Å; C133-I141 VanDerWaalsContact CA-O 3.29Å; C133-I141 WeakPolarHBondContact CA-O 3.48Å; G134-I141 PolarHBondContact N-O 2.94Å; G134-I141 PolarHBondContact O-N 2.99Å; T139-I141 HydrophobicContact CG2-CG1 4.44Å
142I94.9Very high90Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-135.2121-176-55.4-173000110.3L81 I82 L83 T84 M111 M115 L140 L144 I158 L162L81-I142 HydrophobicContact CD1-CD1 3.94Å; L81-I142 HydrophobicContact CD1-CG1 4.27Å; I82-I142 PolarHBondContact O-N 2.73Å; L83-I142 HydrophobicContact CD2-CB 4.03Å; L83-I142 HydrophobicContact CD2-CD1 4.43Å; L83-I142 HydrophobicContact CD2-CG2 4.5Å; T84-I142 PolarHBondContact N-O 2.93Å; M111-I142 HydrophobicContact CE-CD1 3.67Å; M111-I142 HydrophobicContact SD-CD1 4.44Å; M115-I142 HydrophobicContact CE-CG2 3.92Å; M115-I142 HydrophobicContact SD-CG2 4.12Å; L140-I142 HydrophobicContact CD2-CD1 4.02Å; L140-I142 HydrophobicContact CG-CD1 4.12Å; L140-I142 HydrophobicContact CG-CG1 4.06Å; I142-L144 HydrophobicContact CG2-CD2 3.96Å; I142-L144 HydrophobicContact CG2-CG 4.35Å; I142-I158 HydrophobicContact CD1-CD1 3.61Å; I142-I158 HydrophobicContact CG2-CD1 3.88Å; I142-L162 HydrophobicContact CD1-CD1 3.7Å
143N95.1Very high89.8Confident0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-92.7120.9176.4-63.54.1000111.9T84 T88 T96 T100 V132T84-N143 VanDerWaalsContact OG1-CA 3.28Å; T84-N143 WeakPolarHBondContact OG1-CA 3.49Å; T84-N143 VanDerWaalsContact OG1-CG 3.23Å; T84-N143 PolarHBondContact OG1-OD1 2.9Å; T88-N143 HydrophobicContact CG2-CB 3.97Å; T96-N143 PolarHBondContact O-ND2 3.06Å; T96-N143 VanDerWaalsContact O-ND2 3.09Å; T100-N143 WeakPolarHBondContact CB-ND2 3.46Å; T100-N143 PolarHBondContact OG1-ND2 2.94Å; T100-N143 PolarHBondContact OG1-OD1 2.91Å; V132-N143 WeakPolarHBondContact O-CB 3.21Å; V132-N143 PolarHBondContact O-N 2.75Å
144L93.1Very high89.5Confident0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-110.2151.2-178.6-58174.5000111.9L39 L83 T84 G86 M115 I142 C154L39-L144 HydrophobicContact CD1-CD1 3.8Å; L39-L144 HydrophobicContact CD2-CD1 3.68Å; L39-L144 HydrophobicContact CG-CD1 4.42Å; L83-L144 HydrophobicContact CB-CD1 4.38Å; L83-L144 HydrophobicContact CD2-CD1 4.4Å; T84-L144 WeakPolarHBondContact O-CB 3.37Å; T84-L144 PolarHBondContact O-N 2.98Å; G86-L144 PolarHBondContact N-O 3.02Å; M115-L144 HydrophobicContact SD-CD2 3.55Å; M115-L144 VanDerWaalsContact SD-CD2 3.55Å; I142-L144 HydrophobicContact CG2-CD2 3.96Å; I142-L144 HydrophobicContact CG2-CG 4.35Å; L144-C154 HydrophobicContact CD2-CB 3.73Å
145P89.8Confident89.3Confident18 Ų1833.3 Ų33.312%0.11718%0.183CC..  trans-57.6143.4176-23.233.4000112.7T85 S147 S151T85-P145 PolarHBondContact OG1-O 3.02Å; P145-S147 PolarHBondContact O-N 3.35Å; P145-S147 VanDerWaalsContact O-N 3.16Å; P145-S151 WeakPolarHBondContact O-CB 3.39Å
146G84.6Confident89.1Confident39 Ų3936.7 Ų36.740%0.40220%0.199SC..SBendtrans-67.4-11.6-178.200000116S35S35-G146 PolarHBondContact OG-O 2.97Å
147S86.7Confident89Confident70 Ų7037.7 Ų37.749%0.4921%0.205SC..SBendtrans-85.6132179.3670000111.6P145 K149 G150 S151P145-S147 PolarHBondContact O-N 3.35Å; P145-S147 VanDerWaalsContact O-N 3.16Å; S147-K149 PolarHBondContact O-N 3.41Å; S147-G150 PolarHBondContact O-N 2.86Å; S147-G150 PolarHBondContact OG-N 3.1Å; S147-S151 PolarHBondContact O-N 3.18Å; S147-S151 PolarHBondContact O-OG 2.85Å
148K85.7Confident89.1Confident96 Ų9636 Ų3642%0.41719%0.186SC..Hα-helixtrans-48.1-38.2-178.5177.8178.6171.2120.50113.7R34 S35 N38 S151 Q152R34-K148 WeakPolarHBondContact O-CD 2.99Å; S35-K148 WeakPolarHBondContact OG-CA 3.37Å; S35-K148 PolarHBondContact OG-N 3.14Å; S35-K148 VanDerWaalsContact OG-N 3.08Å; N38-K148 HydrophobicContact CB-CD 4.23Å; N38-K148 HydrophobicContact CB-CG 3.91Å; N38-K148 VanDerWaalsContact CG-NZ 3.31Å; N38-K148 WeakPolarHBondContact ND2-CG 3.49Å; N38-K148 PolarHBondContact ND2-O 2.77Å; N38-K148 WeakPolarHBondContact OD1-CE 3.15Å; N38-K148 PolarHBondContact OD1-NZ 2.94Å; K148-S151 PolarHBondContact O-OG 2.88Å; K148-Q152 WeakPolarHBondContact O-CB 3.13Å; K148-Q152 PolarHBondContact O-N 2.7Å
149K85.8Confident89.1Confident130 Ų13032.8 Ų32.857%0.56517%0.173SC*.Hα-helixtrans-71-50.4176.5-178.6176.8173179.70111.6S147 S151 Q152 E153S147-K149 PolarHBondContact O-N 3.41Å; K149-S151 PolarHBondContact O-N 2.84Å; K149-Q152 PolarHBondContact O-N 2.8Å; K149-E153 WeakPolarHBondContact CE-OE1 3.26Å; K149-E153 VanDerWaalsContact CE-OE2 3.23Å; K149-E153 WeakPolarHBondContact CE-OE2 3.27Å; K149-E153 HydrophobicContact CG-CG 4.4Å; K149-E153 IonicContact NZ-OE1 2.73Å; K149-E153 PolarHBondContact NZ-OE1 3.22Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 2.91Å
150G85Confident88.8Confident12 Ų1237.8 Ų37.812%0.12421%0.206CC..Hα-helixtrans-65.9-35.8-177.400000113.5S147 C154S147-G150 PolarHBondContact O-N 2.86Å; S147-G150 PolarHBondContact OG-N 3.1Å; G150-C154 WeakPolarHBondContact O-CB 3.18Å; G150-C154 PolarHBondContact O-N 2.95Å; G150-C154 PolarHBondContact O-SG 3.44Å
151S87.4Confident88.4Confident0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-65.9-42.8173.7590000112.1P145 S147 K148 K149 F155P145-S151 WeakPolarHBondContact O-CB 3.39Å; S147-S151 PolarHBondContact O-N 3.18Å; S147-S151 PolarHBondContact O-OG 2.85Å; K148-S151 PolarHBondContact O-OG 2.88Å; K149-S151 PolarHBondContact O-N 2.84Å; S151-F155 VanDerWaalsContact O-CB 3.26Å; S151-F155 WeakPolarHBondContact O-CB 3.35Å; S151-F155 PolarHBondContact O-N 3.38Å
152Q88.3Confident87.9Confident61 Ų6140.2 Ų40.229%0.28523%0.226SC..Hα-helixtrans-64.7-45.7177.3178.7166.3-2.700112.6N38 L42 K148 K149 F155 Q156N38-Q152 PolarHBondContact ND2-OE1 3.42Å; L42-Q152 HydrophobicContact CD1-CB 3.99Å; L42-Q152 HydrophobicContact CD1-CG 3.77Å; K148-Q152 WeakPolarHBondContact O-CB 3.13Å; K148-Q152 PolarHBondContact O-N 2.7Å; K149-Q152 PolarHBondContact O-N 2.8Å; Q152-F155 PolarHBondContact O-N 2.72Å; Q152-Q156 WeakPolarHBondContact O-CG 3.14Å; Q152-Q156 PolarHBondContact O-N 3.12Å
153E88.9Confident87.3Confident41 Ų4142.6 Ų42.619%0.19224%0.242CC..Hα-helixtrans-64.8-46.5177.3-70.7175.4150.100111.1K149 F155 Q156 F157K149-E153 WeakPolarHBondContact CE-OE1 3.26Å; K149-E153 VanDerWaalsContact CE-OE2 3.23Å; K149-E153 WeakPolarHBondContact CE-OE2 3.27Å; K149-E153 HydrophobicContact CG-CG 4.4Å; K149-E153 IonicContact NZ-OE1 2.73Å; K149-E153 PolarHBondContact NZ-OE1 3.22Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 2.91Å; E153-F155 VanDerWaalsContact C-N 3.35Å; E153-F155 PolarHBondContact O-N 3.16Å; E153-Q156 PolarHBondContact O-N 2.84Å; E153-F157 HydrophobicContact CB-CE2 4.05Å; E153-F157 HydrophobicContact CB-CZ 4.14Å; E153-F157 WeakPolarHBondContact O-CD2 3.49Å; E153-F157 WeakPolarHBondContact O-CE2 3.43Å; E153-F157 VanDerWaalsContact O-CG 3.26Å; E153-F157 WeakPolarHBondContact O-CG 3.23Å; E153-F157 PolarHBondContact O-N 3.31Å; E153-F157 VanDerWaalsContact O-N 3.12Å
154C88.6Confident86.6Confident4 Ų447 Ų473%0.02726%0.263CS..Hα-helixtrans-59.7-42.3175.8-73.10000112.7M115 S119 L144 G150 F157 I158M115-C154 HydrophobicContact CB-CB 4.35Å; M115-C154 HydrophobicContact CG-CB 4.12Å; M115-C154 HydrophobicContact SD-CB 3.81Å; S119-C154 PolarHBondContact OG-SG 3.41Å; S119-C154 VanDerWaalsContact OG-SG 3.39Å; L144-C154 HydrophobicContact CD2-CB 3.73Å; G150-C154 WeakPolarHBondContact O-CB 3.18Å; G150-C154 PolarHBondContact O-N 2.95Å; G150-C154 PolarHBondContact O-SG 3.44Å; C154-F157 PolarHBondContact O-N 3Å; C154-I158 PolarHBondContact O-N 2.88Å
155F88.9Confident86.2Confident1 Ų148.2 Ų48.20%0.00427%0.272CS..Hα-helixtrans-62.3-42.6176.5-175.3-110.5000111.9L39 L42 V43 L49 L83 S151 Q152 E153 F157 I158 L159 L162L39-F155 HydrophobicContact CD2-CB 4.39Å; L42-F155 HydrophobicContact CB-CD1 4.24Å; L42-F155 HydrophobicContact CB-CE1 4.08Å; V43-F155 HydrophobicContact CG2-CE2 4.46Å; V43-F155 HydrophobicContact CG2-CZ 4.1Å; L49-F155 HydrophobicContact CD2-CZ 4.27Å; L83-F155 HydrophobicContact CD1-CD2 3.99Å; L83-F155 HydrophobicContact CD1-CE2 3.72Å; L83-F155 HydrophobicContact CD2-CD2 4.5Å; L83-F155 HydrophobicContact CD2-CE2 4.48Å; S151-F155 VanDerWaalsContact O-CB 3.26Å; S151-F155 WeakPolarHBondContact O-CB 3.35Å; S151-F155 PolarHBondContact O-N 3.38Å; Q152-F155 PolarHBondContact O-N 2.72Å; E153-F155 VanDerWaalsContact C-N 3.35Å; E153-F155 PolarHBondContact O-N 3.16Å; F155-F157 VanDerWaalsContact C-N 3.32Å; F155-F157 PolarHBondContact O-N 2.98Å; F155-I158 HydrophobicContact CD2-CD1 4.41Å; F155-I158 WeakPolarHBondContact O-CG1 3.44Å; F155-I158 PolarHBondContact O-N 3.31Å; F155-L159 HydrophobicContact CD1-CD1 4.49Å; F155-L159 HydrophobicContact CE1-CD1 4.02Å; F155-L159 WeakPolarHBondContact O-CB 3.41Å; F155-L159 PolarHBondContact O-N 2.83Å; F155-L162 HydrophobicContact CE2-CD2 3.71Å; F155-L162 HydrophobicContact CZ-CD2 4.19Å
156Q88Confident86Confident95 Ų9547.4 Ų47.444%0.44427%0.267SS..Hα-helixtrans-63-33.7176.1-73.9176.9-9.100113.1Q152 E153 I158Q152-Q156 WeakPolarHBondContact O-CG 3.14Å; Q152-Q156 PolarHBondContact O-N 3.12Å; E153-Q156 PolarHBondContact O-N 2.84Å; Q156-I158 VanDerWaalsContact C-N 3.34Å; Q156-I158 PolarHBondContact O-N 2.88Å
157F88.6Confident85.8Confident73 Ų7348.1 Ų48.132%0.3226%0.262SS..Hα-helixtrans-69.8-26.4177.9-56.6-39.9000114.1G118 V122 E153 C154 F155G118-F157 WeakPolarHBondContact O-CZ 3.49Å; V122-F157 HydrophobicContact CG2-CZ 3.99Å; E153-F157 HydrophobicContact CB-CE2 4.05Å; E153-F157 HydrophobicContact CB-CZ 4.14Å; E153-F157 WeakPolarHBondContact O-CD2 3.49Å; E153-F157 WeakPolarHBondContact O-CE2 3.43Å; E153-F157 VanDerWaalsContact O-CG 3.26Å; E153-F157 WeakPolarHBondContact O-CG 3.23Å; E153-F157 PolarHBondContact O-N 3.31Å; E153-F157 VanDerWaalsContact O-N 3.12Å; C154-F157 PolarHBondContact O-N 3Å; F155-F157 VanDerWaalsContact C-N 3.32Å; F155-F157 PolarHBondContact O-N 2.98Å
158I88.7Confident85.5Confident5 Ų550 Ų503%0.02627%0.265CS..Hα-helixtrans-97.6-19.5179.257.8172.9000113.7M111 M115 I142 C154 F155 Q156 P160 A161 L162M111-I158 HydrophobicContact CB-CG2 4.45Å; M111-I158 HydrophobicContact CE-CB 3.95Å; M111-I158 HydrophobicContact CE-CD1 4.4Å; M111-I158 HydrophobicContact CE-CG2 4.19Å; M115-I158 HydrophobicContact CG-CG2 3.42Å; M115-I158 VanDerWaalsContact CG-CG2 3.42Å; M115-I158 HydrophobicContact SD-CD1 4.2Å; M115-I158 HydrophobicContact SD-CG2 3.95Å; I142-I158 HydrophobicContact CD1-CD1 3.61Å; I142-I158 HydrophobicContact CG2-CD1 3.88Å; C154-I158 PolarHBondContact O-N 2.88Å; F155-I158 HydrophobicContact CD2-CD1 4.41Å; F155-I158 WeakPolarHBondContact O-CG1 3.44Å; F155-I158 PolarHBondContact O-N 3.31Å; Q156-I158 VanDerWaalsContact C-N 3.34Å; Q156-I158 PolarHBondContact O-N 2.88Å; I158-P160 VanDerWaalsContact C-CD 3.43Å; I158-P160 VanDerWaalsContact C-N 3.35Å; I158-A161 PolarHBondContact O-N 2.75Å; I158-L162 HydrophobicContact CD1-CD1 4.42Å; I158-L162 PolarHBondContact O-N 3.18Å
159L86Confident85.3Confident35 Ų3546.5 Ų46.518%0.18325%0.251CS..G310 helixtrans-50.6-42-174.9-174.9150.6000114.3L48 F155 A161 L162 P163L48-L159 HydrophobicContact CB-CD1 3.8Å; L48-L159 HydrophobicContact CD2-CD1 3.89Å; L48-L159 HydrophobicContact CG-CD1 4.33Å; F155-L159 HydrophobicContact CD1-CD1 4.49Å; F155-L159 HydrophobicContact CE1-CD1 4.02Å; F155-L159 WeakPolarHBondContact O-CB 3.41Å; F155-L159 PolarHBondContact O-N 2.83Å; L159-A161 PolarHBondContact O-N 3.1Å; L159-A161 VanDerWaalsContact O-N 3.13Å; L159-L162 PolarHBondContact O-N 3.36Å; L159-L162 VanDerWaalsContact O-N 3.12Å; L159-P163 VanDerWaalsContact O-CD 3.28Å; L159-P163 WeakPolarHBondContact O-CD 3.37Å
160P83.8Confident84.8Confident111 Ų11143.7 Ų43.772%0.72124%0.237SC*.G310 helixtrans-62.1-21.4178.5-24.735.6000115.1I158I158-P160 VanDerWaalsContact C-CD 3.43Å; I158-P160 VanDerWaalsContact C-N 3.35Å
161A83.8Confident83.7Confident53 Ų5348.6 Ų48.644%0.43826%0.261SS..G310 helixtrans-100.5-14.9177.500000113.2I158 L159 A165I158-A161 PolarHBondContact O-N 2.75Å; L159-A161 PolarHBondContact O-N 3.1Å; L159-A161 VanDerWaalsContact O-N 3.13Å; A161-A165 VanDerWaalsContact O-CB 3.31Å; A161-A165 WeakPolarHBondContact O-CB 3.24Å; A161-A165 PolarHBondContact O-N 2.9Å
162L84.6Confident81.7Confident0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-66.8-44.6-166.1-16369.5000114L49 L81 M111 L140 I142 F155 I158 L159 I166L49-L162 HydrophobicContact CD1-CD2 4.15Å; L49-L162 HydrophobicContact CD2-CD2 3.94Å; L81-L162 HydrophobicContact CD1-CD1 3.99Å; L81-L162 HydrophobicContact CD2-CD1 4.43Å; L81-L162 HydrophobicContact CD2-CD2 3.89Å; L81-L162 HydrophobicContact CD2-CG 4.38Å; M111-L162 HydrophobicContact CE-CD1 3.98Å; L140-L162 HydrophobicContact CD2-CD1 4.02Å; I142-L162 HydrophobicContact CD1-CD1 3.7Å; F155-L162 HydrophobicContact CE2-CD2 3.71Å; F155-L162 HydrophobicContact CZ-CD2 4.19Å; I158-L162 HydrophobicContact CD1-CD1 4.42Å; I158-L162 PolarHBondContact O-N 3.18Å; L159-L162 PolarHBondContact O-N 3.36Å; L159-L162 VanDerWaalsContact O-N 3.12Å; L162-I166 HydrophobicContact CG-CD1 4.21Å; L162-I166 WeakPolarHBondContact O-CD1 3.35Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 3.11Å; L162-I166 VanDerWaalsContact O-N 3.16Å
163P83Confident79.3Confident50 Ų5053.8 Ų53.833%0.32530%0.301SS..Hα-helixtrans-63.5-49177.7-21.333.5000111.8L49 L159 A165 I166 D167L49-P163 HydrophobicContact CD1-CG 4.32Å; L159-P163 VanDerWaalsContact O-CD 3.28Å; L159-P163 WeakPolarHBondContact O-CD 3.37Å; P163-A165 VanDerWaalsContact C-N 3.33Å; P163-A165 PolarHBondContact O-N 2.81Å; P163-I166 WeakPolarHBondContact O-CB 3.37Å; P163-I166 PolarHBondContact O-N 2.83Å; P163-D167 PolarHBondContact O-N 3.45Å
164H79.9Confident76.9Confident94 Ų9457.2 Ų57.244%0.43533%0.325SS..Hα-helixtrans-63.4-37.9-178.7-173.853.7000112.5I166 D167 L168H164-I166 VanDerWaalsContact C-N 3.31Å; H164-I166 PolarHBondContact O-N 2.94Å; H164-D167 PolarHBondContact O-N 3.02Å; H164-L168 WeakPolarHBondContact O-CB 3.4Å; H164-L168 VanDerWaalsContact O-CG 3.26Å; H164-L168 WeakPolarHBondContact O-CG 3.27Å; H164-L168 PolarHBondContact O-N 3.26Å
165A84.4Confident74.3Confident24 Ų2465.8 Ų65.820%0.19836%0.362CS..Hα-helixtrans-63.2-36.6173.500000112.5L140 A161 P163 L169L140-A165 HydrophobicContact CD2-CB 4.22Å; A161-A165 VanDerWaalsContact O-CB 3.31Å; A161-A165 WeakPolarHBondContact O-CB 3.24Å; A161-A165 PolarHBondContact O-N 2.9Å; P163-A165 VanDerWaalsContact C-N 3.33Å; P163-A165 PolarHBondContact O-N 2.81Å; A165-L169 VanDerWaalsContact O-CG 3.31Å; A165-L169 WeakPolarHBondContact O-CG 3.22Å; A165-L169 PolarHBondContact O-N 2.6Å
166I84.5Confident71.6Confident2 Ų271.9 Ų71.91%0.0140%0.399CS..Hα-helixtrans-71.4-45176.7-70.4166.6000110.8I15 N80 L81 L162 P163 H164 L168 L169 R170I15-I166 HydrophobicContact CD1-CD1 4.27Å; I15-I166 HydrophobicContact CG1-CG2 4.45Å; I15-I166 HydrophobicContact CG2-CD1 3.91Å; I15-I166 HydrophobicContact CG2-CG2 4.43Å; N80-I166 HydrophobicContact CB-CG2 4.01Å; L81-I166 HydrophobicContact CB-CD1 4.04Å; L81-I166 HydrophobicContact CD2-CD1 4.29Å; L162-I166 HydrophobicContact CG-CD1 4.21Å; L162-I166 WeakPolarHBondContact O-CD1 3.35Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 3.11Å; L162-I166 VanDerWaalsContact O-N 3.16Å; P163-I166 WeakPolarHBondContact O-CB 3.37Å; P163-I166 PolarHBondContact O-N 2.83Å; H164-I166 VanDerWaalsContact C-N 3.31Å; H164-I166 PolarHBondContact O-N 2.94Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 2.88Å; I166-L169 PolarHBondContact O-N 3.11Å; I166-L169 VanDerWaalsContact O-N 3.09Å; I166-R170 HydrophobicContact CG2-CG 4.42Å; I166-R170 VanDerWaalsContact O-CG 3.28Å; I166-R170 WeakPolarHBondContact O-CG 3.44Å; I166-R170 PolarHBondContact O-N 2.97Å; I166-R170 VanDerWaalsContact O-N 3.15Å
167D81.6Confident68.9Low54 Ų5475.5 Ų75.529%0.28941%0.413SS..Hα-helixtrans-62.5-39.4179.1-68.2-31.3000112.5P163 H164 L169 R170 A172P163-D167 PolarHBondContact O-N 3.45Å; H164-D167 PolarHBondContact O-N 3.02Å; D167-L169 VanDerWaalsContact C-N 3.29Å; D167-L169 PolarHBondContact O-N 3.45Å; D167-R170 PolarHBondContact O-N 2.95Å; D167-A172 HydrophobicContact CB-CB 4.44Å; D167-A172 PolarHBondContact O-N 3.17Å
168L80.9Confident66.3Low109 Ų10980.1 Ų80.157%0.57144%0.435SS*.Hα-helixtrans-60.4-35.1172.8-76170.9000113H164 I166 R170H164-L168 WeakPolarHBondContact O-CB 3.4Å; H164-L168 VanDerWaalsContact O-CG 3.26Å; H164-L168 WeakPolarHBondContact O-CG 3.27Å; H164-L168 PolarHBondContact O-N 3.26Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 2.88Å; L168-R170 VanDerWaalsContact C-N 3.34Å
169L81.4Confident63.6Low23 Ų2387 Ų8712%0.1248%0.478CS..Hα-helixtrans-79.6-15.8178.1-70.8172.2000113.6I135 K138 L140 A165 I166 D167I135-L169 HydrophobicContact CD1-CD2 3.99Å; I135-L169 HydrophobicContact CG1-CD1 4.13Å; I135-L169 HydrophobicContact CG1-CD2 4.13Å; I135-L169 HydrophobicContact CG2-CD1 4.38Å; I135-L169 HydrophobicContact CG2-CD2 3.65Å; K138-L169 WeakPolarHBondContact CB-O 3.34Å; K138-L169 WeakPolarHBondContact CD-O 3.39Å; K138-L169 VanDerWaalsContact CG-O 3.31Å; K138-L169 WeakPolarHBondContact CG-O 3.46Å; L140-L169 HydrophobicContact CB-CD1 3.87Å; A165-L169 VanDerWaalsContact O-CG 3.31Å; A165-L169 WeakPolarHBondContact O-CG 3.22Å; A165-L169 PolarHBondContact O-N 2.6Å; I166-L169 PolarHBondContact O-N 3.11Å; I166-L169 VanDerWaalsContact O-N 3.09Å; D167-L169 VanDerWaalsContact C-N 3.29Å; D167-L169 PolarHBondContact O-N 3.45Å
170R74.6Confident61.1Low70 Ų7090.5 Ų90.526%0.26450%0.5SS..THydrogen-bonded Turntrans-85.4-8.1-178.3-72.2175.766.7-175.20113.9H13 K138 I166 D167 L168H13-R170 PolarHBondContact O-NH1 3.09Å; H13-R170 VanDerWaalsContact O-NH1 3.14Å; K138-R170 PolarHBondContact NZ-O 3.48Å; I166-R170 HydrophobicContact CG2-CG 4.42Å; I166-R170 VanDerWaalsContact O-CG 3.28Å; I166-R170 WeakPolarHBondContact O-CG 3.44Å; I166-R170 PolarHBondContact O-N 2.97Å; I166-R170 VanDerWaalsContact O-N 3.15Å; D167-R170 PolarHBondContact O-N 2.95Å; L168-R170 VanDerWaalsContact C-N 3.34Å
171D60.9Low58.6Low116 Ų11691.7 Ų91.762%0.6250%0.5SS*.THydrogen-bonded Turntrans57.234.7-162.9-57.5-51.3000112.3K138 V173K138-D171 WeakPolarHBondContact CE-OD2 3.37Å; K138-D171 IonicContact NZ-OD2 2.95Å; K138-D171 PolarHBondContact NZ-OD2 3.04Å; D171-V173 PolarHBondContact O-N 3.44Å
172A46.2Very low56.2Low51 Ų5198 Ų9842%0.42152%0.521SS..  trans-64.9108.2174.500000109.2D167 V174D167-A172 HydrophobicContact CB-CB 4.44Å; D167-A172 PolarHBondContact O-N 3.17Å; A172-V174 PolarHBondContact O-N 3.44Å
173V38.2Very low53.7Low119 Ų119105.9 Ų105.972%0.72156%0.562SS**  trans-59.4108.2-177.8178.80000109.4D171 K175D171-V173 PolarHBondContact O-N 3.44Å; V173-K175 HydrophobicContact CG1-CG 4.29Å; V173-K175 PolarHBondContact O-N 3.1Å
174V39.1Very low51.6Low113 Ų113112.2 Ų112.269%0.68559%0.587SS**  trans-68.983.1170.5-176.90000108A172 V176A172-V174 PolarHBondContact O-N 3.44Å; V174-V176 VanDerWaalsContact C-N 3.31Å; V174-V176 HydrophobicContact CG1-CG2 4.4Å; V174-V176 PolarHBondContact O-N 3.08Å
175K33.8Very low49.5Very low183 Ų183114.5 Ų114.580%0.79660%0.603SS**  trans-63.998160.8-76.6-170.3174.7-174.90107V173 K177V173-K175 HydrophobicContact CG1-CG 4.29Å; V173-K175 PolarHBondContact O-N 3.1Å; K175-K177 VanDerWaalsContact C-N 3.25Å; K175-K177 PolarHBondContact O-N 3.34Å
176V32.2Very low47Very low129 Ų129120.8 Ų120.878%0.78263%0.632SS**  trans-59.897.4159.4179.40000105.6V174 E178V174-V176 VanDerWaalsContact C-N 3.31Å; V174-V176 HydrophobicContact CG1-CG2 4.4Å; V174-V176 PolarHBondContact O-N 3.08Å; V176-E178 PolarHBondContact O-N 3.29Å
177K30.1Very low44.6Very low172 Ų172126.1 Ų126.175%0.74867%0.667SS**  trans-73.5121.8-177.9-157.5-170.8-179.5-159.70107.6K175 V179K175-K177 VanDerWaalsContact C-N 3.25Å; K175-K177 PolarHBondContact O-N 3.34Å; K177-V179 PolarHBondContact O-N 3.32Å
178E35Very low42.2Very low169 Ų169129.5 Ų129.579%0.7970%0.695SS**  trans-58.4132.6173-66.6157.2133.700108.7V176 V180V176-E178 PolarHBondContact O-N 3.29Å; E178-V180 VanDerWaalsContact C-N 3.32Å; E178-V180 PolarHBondContact O-N 2.98Å; E178-V180 VanDerWaalsContact O-N 3.09Å
179V32.6Very low39.9Very low151 Ų151129.8 Ų129.892%0.91570%0.703SS**  trans-87.579.3-178.8-1760000108.5K177K177-V179 PolarHBondContact O-N 3.32Å
180V32.7Very low37.6Very low107 Ų107134.3 Ų134.365%0.64873%0.734SS**  trans-140.5142.7177.4-170.70000107.6E178E178-V180 VanDerWaalsContact C-N 3.32Å; E178-V180 PolarHBondContact O-N 2.98Å; E178-V180 VanDerWaalsContact O-N 3.09Å
181D32.1Very low35.7Very low136 Ų136136.6 Ų136.673%0.72776%0.758SS**SBendtrans58.355.3169.2-54.6-15000119.7
182E32Very low34.3Very low187 Ų187137.1 Ų137.187%0.87477%0.767SS**SBendtrans-14654.7142.9-77.3-161.5156.800110.5
183L33Very low33.6Very low165 Ų165143 Ų14386%0.86479%0.791SS**  trans-14119.8173.9-125.2169.9000113.6
184E38.6Very low33.4Very low182 Ų182142.4 Ų142.485%0.8579%0.792SS**  trans-95.576.3170.1-67.3-159.7136.300111.2
185D36Very low33Very low143 Ų143142.4 Ų142.477%0.76580%0.795SS**SBendtrans-166.6114139.4-119.8-26000113
186L31.6Very low32.9Very low155 Ų155139.8 Ų139.881%0.81280%0.796SS**SBendtrans67.3155.5166.4-44.9176.2000117.6
187P33.1Very low32.8Very low115 Ų115138.6 Ų138.675%0.74779%0.791SS**  -123.7153.2-70.235.6-21.9000113.2P189P187-P189 WeakPolarHBondContact O-CD 3.45Å
188S32.1Very low32.6Very low124 Ų124137.8 Ų137.887%0.86780%0.795SS**PPolyproline II helixtrans-70.2128-167.9-42.10000116.1
189P33.1Very low32.1Very low116 Ų116135.3 Ų135.375%0.75380%0.796SS**PPolyproline II helixtrans-74.9162.3160.3-13.630.6000112.4P187P187-P189 WeakPolarHBondContact O-CD 3.45Å
190P32.6Very low31.8Very low117 Ų117133 Ų13376%0.7679%0.787SS**PPolyproline II helixtrans-80.1155.1-172.232.3-36.4000114.4
191P34.7Very low31.9Very low119 Ų119133 Ų13377%0.77379%0.789SS**PPolyproline II helixtrans-76.7143179.331.3-35.3000113
192P31.6Very low31.7Very low126 Ų126134.8 Ų134.882%0.81879%0.793SS**PPolyproline II helixtrans-72.3150.8167.431.1-33.8000111.7
193L30.6Very low31.4Very low175 Ų175137.4 Ų137.492%0.91680%0.795SS**PPolyproline II helixtrans-75.9134.6-169.4-70.7158.3000113.9
194S33.9Very low31.1Very low107 Ų107138.3 Ų138.375%0.74879%0.794SS**PPolyproline II helixtrans-72148.9164.6-53.50000111.7
195P32.4Very low30.4Very low113 Ų113135 Ų13573%0.73479%0.786SS**PPolyproline II helixtrans-65.9152.1161.130.5-34.3000110.8
196P30Very low29.9Very low127 Ų127136.2 Ų136.283%0.82579%0.788SS**PPolyproline II helixtrans-72.4160-177.929.8-35.4000113.2
197P30.4Very low29.7Very low104 Ų104136.2 Ų136.268%0.67579%0.789SS**  trans-120-170.4-157.442.7-30.4000115.1
198N25.7Very low29.4Very low156 Ų156140.2 Ų140.283%0.83479%0.794SS**  trans84.9145.5164.6-57.1-22.1000117
199S24.6Very low29.1Very low117 Ų117137.9 Ų137.982%0.81879%0.79SS**  cis-135.3159.73.247.30000114.5
200S26.7Very low28.7Very low103 Ų103138 Ų13872%0.7279%0.788SS**  trans-90.3-166.7174.562.70000109.9
201P36.2Very low28.2Very low106 Ų106140.7 Ų140.769%0.68879%0.79SS**  cis-146.316614.842.9-21.8000120.5
202H26.7Very low27.7Very low174 Ų174138.7 Ų138.781%0.80678%0.778SS**  trans24.8137.8140.9-67.8-71.5000122.9
203R25.3Very low27.4Very low242 Ų242140.2 Ų140.291%0.91378%0.775SS**  -160.9143.591.3-110.3179.1178.7159.83.4115.8
204Q26.9Very low27.2Very low183 Ų183139.5 Ų139.586%0.85577%0.767SS**  trans-109.7153.1150.8-78.7178.8-51.300108.2
205T24.4Very low26.7Very low112 Ų112142.1 Ų142.169%0.68777%0.767SS**  trans-98.5165.6153.659.20000108.1
206E26.1Very low26.4Very low169 Ų169143 Ų14379%0.7977%0.766SS**  cis-110.6-173.5-7.8-90.696.1-132.300108.8
207D26.9Very low26.3Very low156 Ų156144.4 Ų144.483%0.83476%0.761SS**  cis-149.317319.6-163.25000111.8
208K26.9Very low26.1Very low198 Ų198145 Ų14586%0.86176%0.755SS**  trans-112.8132-173-78.3-173.5172.5-174.40114.4
209G24.8Very low26.2Very low75 Ų75144.4 Ų144.477%0.77375%0.745SS**  trans-133.880.8169.900000114
210V25.3Very low26.3Very low119 Ų119146.5 Ų146.572%0.72174%0.739SS**  trans49.9107.6144.6-1770000119.8
211Q22.4Very low26.2Very low173 Ų173147.3 Ų147.381%0.80874%0.736SS**  trans57.9153.3139.7-62.4-177.8-8100120
212C24.5Very low25.8Very low77 Ų77147.5 Ų147.552%0.5274%0.739SS.*  cis-160.9161.2-7-118.20000109
213E25.3Very low25.7Very low158 Ų158142.7 Ų142.774%0.73874%0.737SS**  trans59.1153.4160.8-70.8119.8-127.600117.6
214E24.8Very low25.8Very low161 Ų161137.8 Ų137.875%0.75273%0.733SS**  cis-153.6179.6-7.6-124.8163.9-160.500111.4
215E24.9Very low25.8Very low162 Ų162133.5 Ų133.576%0.75773%0.73SS**  trans-37.9165.2167.8-64.6166.6-179.100117.1
216D26Very low26Very low131 Ų131133.1 Ų133.170%0.70173%0.732SS**  cis-166.9170.9-8.5-119.5-30000112.1
217E26.5Very low26.1Very low156 Ų156130.4 Ų130.473%0.72973%0.727SS**  trans53.2164.7148.1-72-160.9158.400121.6
218E28Very low26.2Very low116 Ų116131.5 Ų131.554%0.54273%0.727SS.*  cis-153.3154.1-5.6-130.4-168.5-168.100114.5
219K27.9Very low26.2Very low144 Ų144129 Ų12963%0.62672%0.722SS**  trans45.6141.6142.3-83179.8-149.2139.70126.6
220K26.7Very low26.3Very low161 Ų161129.8 Ų129.870%0.772%0.716SS**  trans77.1153.7135.8-78.9178.7161.9-68.70120.3
221D24.6Very low26.3Very low121 Ų121130.1 Ų130.165%0.64772%0.724SS**  cis-152.7-178-2.2-129.4-22.5000114.1
222S26.5Very low26.5Very low109 Ų109127.3 Ų127.376%0.76272%0.724SS**  trans-38.4162.2167.758.60000117.7
223G24.9Very low26.6Very low73 Ų73129.3 Ų129.375%0.75374%0.738SS**  cis169.7-159.215.900000109.1
224V28.3Very low26.7Very low139 Ų139130.6 Ų130.684%0.84274%0.744SS**  cis-174.9144.3-151290000109.7
225A26.3Very low26.8Very low94 Ų94131 Ų13178%0.77775%0.749SS**  trans62.4170.4169.800000117.4
226S28.7Very low26.9Very low104 Ų104129 Ų12973%0.72775%0.749SS**  cis-177.5162.5-2.328.50000108.1
227T27.1Very low26.9Very low112 Ų112127.9 Ų127.969%0.68775%0.751SS**  cis-171.9163.3-16.330.20000109.1
228E28.9Very low26.8Very low179 Ų179125.7 Ų125.784%0.83676%0.759SS**  trans65.6159.4152.4-74.3162.7-14400120.7
229D27.4Very low26.7Very low144 Ų144125.4 Ų125.477%0.7777%0.771SS**  cis-164.1162.8-29.7-164.914.6000112.4
230S28.3Very low26.6Very low92 Ų92127 Ų12764%0.64378%0.784SS**  trans30.9145.2157.479.20000126
231S24.4Very low26.4Very low127 Ų127125.6 Ų125.689%0.88879%0.789SS**  174174.2129.246.40000113.2
232S26.9Very low26.5Very low114 Ų114124.1 Ų124.180%0.79779%0.794SS**  trans-142169.6-157.364.80000116.4
233S25.8Very low26.4Very low119 Ų119128.6 Ų128.683%0.83280%0.799SS**  trans-164.816015546.70000113.6
234H28.7Very low26.4Very low184 Ų184131.6 Ų131.685%0.85280%0.797SS**  trans-128.6163.2179.4-75.5-82.6000110.9
235I26Very low26.3Very low169 Ų169131 Ų13187%0.86780%0.796SS**  trans-169.3162131.3-102157.9000113.3
236T27.1Very low26.3Very low122 Ų122133.1 Ų133.175%0.74879%0.794SS**  trans-84.2-173.3-171.240.20000115.3
237S25.8Very low26.2Very low107 Ų107133.2 Ų133.275%0.74880%0.795SS**  171138.1-50.867.40000109.5
238A24.4Very low26.2Very low109 Ų109136 Ų13690%0.90180%0.804SS**  trans-154.1158.3173.600000113.5
239S26.5Very low26.1Very low111 Ų111134.4 Ų134.478%0.77680%0.799SS**  trans-147.6154.9-170.257.40000114.5
240I24.6Very low26Very low176 Ų176132.2 Ų132.290%0.90380%0.795SS**  trans-141.7145.9168.5-63.3-175.2000109.2
241T23.8Very low26Very low132 Ų132139.3 Ų139.381%0.8181%0.808SS**  trans-136.4127.2-167.6-59.60000113.3
242A25.3Very low26Very low91 Ų91136.3 Ų136.375%0.75280%0.797SS**  trans173.6153.9153.100000110.9
243K25Very low25.9Very low202 Ų202137.5 Ų137.588%0.87880%0.799SS**  cis-160.1153.5-21.5-112.5-176.3-179.8-178.80108.1
244I25.9Very low25.8Very low136 Ų136140.2 Ų140.270%0.69780%0.799SS**  trans-102.3152.3179.1-67.1166.3000110.8
245P25.1Very low25.6Very low126 Ų126137.9 Ų137.982%0.81880%0.797SS**  trans-113.4138.9143.835.3-27.4000112
246D27.3Very low25.4Very low140 Ų140137.3 Ų137.375%0.74980%0.795SS**  trans-101175.1-165-85.6-63.4000116
247S26.6Very low25.8Very low105 Ų105136.5 Ų136.573%0.73479%0.792SS**  trans79144.5171.879.50000115.5
248I26.7Very low25.7Very low171 Ų171143 Ų14388%0.87780%0.8SS**  cis-111.6157.726.4-68.9171.1000113.9
249I26.4Very low25.7Very low145 Ų145145.1 Ų145.174%0.74480%0.796SS**  trans-112147.9-167.4-58.3164000111.8
250S26.1Very low25.6Very low98 Ų98144.8 Ų144.869%0.68580%0.8SS**  trans118.2132.8158.5-62.60000113.8
251R28.4Very low25.6Very low242 Ų242140.5 Ų140.591%0.91379%0.791SS**  cis-149.1155.6-10.9-85.8152.4-171.5-173.10.1105.1
252G23.3Very low25.6Very low63 Ų63139.3 Ų139.365%0.64979%0.788SS**  cis127.1143.811.100000109.9
253V24.3Very low25.6Very low140 Ų140142.1 Ų142.185%0.84879%0.79SS**  trans74.5137.9-172-171.80000113.7
254Q24.1Very low25.5Very low176 Ų176137.6 Ų137.682%0.82278%0.783SS**  cis-169.9146.4-44.6-116.2167.8-43.100106.6
255V24.3Very low25.5Very low134 Ų134137.4 Ų137.481%0.81279%0.788SS**  trans-131.3163.3176.9177.80000108.5
256L23Very low25.6Very low157 Ų157137.6 Ų137.682%0.82279%0.787SS**  trans92.3150177-54.6173.9000115.3
257P34.7Very low25.8Very low105 Ų105136 Ų13668%0.68279%0.785SS**  cis-136.4177.6-36.137.6-22.7000112.7
258R24.8Very low25.6Very low243 Ų243136.3 Ų136.392%0.91779%0.787SS**  trans-159.6155.4145.2-119.9171-174.1175.11113.8
259D23.7Very low25.6Very low154 Ų154136.9 Ų136.982%0.82479%0.786SS**  trans-96.6-179.3-162.7-49.5-89.3000113.8
260A24.9Very low25.5Very low104 Ų104135.3 Ų135.386%0.8679%0.788SS**  trans-109.8149.7-167.900000115.2
261A24.9Very low25.7Very low86 Ų86136.7 Ų136.771%0.71179%0.794SS**  trans-166.3112.6164.500000107.1
262S24Very low25.5Very low107 Ų107136.9 Ų136.975%0.74880%0.795SS**  70142.18575.80000114.9
263L24.6Very low25.6Very low151 Ų151138.9 Ų138.979%0.79181%0.806SS**  cis-172.2137.1-8.7-118.5171.4000110
264S23.4Very low25.7Very low107 Ų107141.4 Ų141.475%0.74881%0.808SS**  trans58.8170.8160.867.70000117.8
265T25.1Very low25.8Very low131 Ų131138 Ų13880%0.80481%0.81SS**  cis-137177.810.243.50000112.3
266T26.7Very low25.9Very low130 Ų130138.3 Ų138.380%0.79881%0.812SS**  trans-106.7163.8166.464.70000109.8
267P31.8Very low26Very low106 Ų106136.6 Ų136.669%0.68881%0.813SS**  -156.3168.678.341.6-22000118.3
268S23.5Very low25.7Very low112 Ų112143.2 Ų143.278%0.78383%0.825SS**  trans65.3164.1150.774.90000118.6
269E25.7Very low25.7Very low183 Ų183139.2 Ų139.286%0.85582%0.821SS**  cis-130.5175.1-3.4-80.7-164125.500110.9
270S25.3Very low25.7Very low113 Ų113138 Ų13879%0.7982%0.824SS**  trans-142.2116.3164.367.40000112.4
271P29.1Very low25.8Very low126 Ų126139.6 Ų139.682%0.81882%0.824SS**PPolyproline II helixtrans-82.2141.2178.8-7.323.8000113.1
272R24.3Very low25.9Very low247 Ų247140.5 Ų140.593%0.93283%0.831SS**PPolyproline II helixtrans-75.2132.6164.3-80.3172.4159.7158.7-7.4110.3
273A26.4Very low25.9Very low105 Ų105141.2 Ų141.287%0.86884%0.836SS**PPolyproline II helixtrans-97.2126.5161.100000110.5
274Q25.2Very low25.8Very low193 Ų193139.6 Ų139.690%0.90284%0.836SS**PPolyproline II helixtrans-89.7138.6168.3-66.9175.7-2100109.6
275A26.7Very low26.3Very low104 Ų104140.8 Ų140.886%0.8684%0.841SS**  trans-140.5111.6168.900000110.1
276T25.5Very low26.3Very low140 Ų140140.2 Ų140.286%0.85984%0.838SS**PPolyproline II helixtrans-93.7117.3178.241.90000110.7
277S26Very low26.3Very low121 Ų121140.1 Ų140.185%0.84684%0.84SS**PPolyproline II helixtrans-76.9124.8176.354.50000111.4
278R28Very low25.9Very low244 Ų244144.7 Ų144.792%0.92185%0.849SS**PPolyproline II helixtrans-100.6134.8166.3-78-172.8170.4-167.2-1.9110.7
279L25.6Very low25.9Very low160 Ų160144.2 Ų144.284%0.83885%0.851SS**PPolyproline II helixtrans-71.4149.9168-64.3102.8000111.3
280S23.7Very low25.7Very low127 Ų127147.4 Ų147.489%0.88886%0.855SS**  trans-158.2150.6144.6-80.90000110.2
281T26.8Very low25.7Very low139 Ų139149.7 Ų149.785%0.85386%0.858SS**  trans-120.2143.9-174.948.30000110.6
282A25.9Very low25.7Very low105 Ų105149.2 Ų149.287%0.86886%0.855SS**  trans-155.9140.7167.100000113.1
283S24.6Very low25.6Very low121 Ų121142.1 Ų142.185%0.84684%0.843SS**  trans-82.6167.8-172.7-50.40000115.2
284C23.2Very low25.4Very low118 Ų118143.4 Ų143.480%0.79784%0.844SS**  trans-70.4169.3173.7-42.60000113.5
285P33.5Very low25.3Very low131 Ų131139.8 Ų139.885%0.85184%0.84SS**  -145.6-174.495.539.3-23.4000115.6
286T25.2Very low25.2Very low119 Ų119140.3 Ų140.373%0.7384%0.837SS**  trans-121.5166.1-176.652.20000113
287P27.3Very low25.3Very low129 Ų129140.2 Ų140.284%0.83884%0.837SS**  trans-118.6167.4152.636.2-26.2000113.6
288K23.2Very low25.4Very low202 Ų202142.7 Ų142.788%0.87884%0.84SS**  trans-134.7141.2-173.4-64.1174.4177.6173.60113.6
289A22.6Very low25.6Very low101 Ų101135.2 Ų135.284%0.83583%0.825SS**  trans-178.1152.215300000110.7
290R22.5Very low26.1Very low251 Ų251134.4 Ų134.495%0.94782%0.82SS**  cis-158.9159.9-32.3-144.7179.4-168.8-172.73.8108.4
291L24.5Very low26.6Very low160 Ų160132.2 Ų132.284%0.83881%0.81SS**  trans-82.2158.6-174.8-73.4161.4000114.1
292P29.4Very low27.1Very low117 Ų117132.1 Ų132.176%0.7680%0.8SS**  -145.517690.138.1-22000115.1
293S23.1Very low27.7Very low97 Ų97129.4 Ų129.468%0.67878%0.777SS**  cis-179.3116.3-46.755.60000110.9
294C21.9Very low28.4Very low132 Ų132127.1 Ų127.189%0.89276%0.761SS**  trans169.7113.4158.7-102.50000108.1
295S23Very low29.2Very low117 Ų117131.4 Ų131.482%0.81876%0.76SS**  cis85.49048.1-176.60000115.3
296S23.5Very low29.7Very low115 Ų115134 Ų13480%0.80475%0.753SS**  trans-179.254143.163.20000116.9
297T28.1Very low30.5Very low139 Ų139134.4 Ų134.485%0.85375%0.747SS**  trans-145.170.4170.853.60000114.2
298L28.5Very low31Very low173 Ų173135.9 Ų135.991%0.90674%0.74SS**  trans-144.895.5168.6-96.9168.8000109.3
299S32.8Very low32Very low86 Ų86135.5 Ų135.560%0.60173%0.733SS**  trans-163.8-34.1178.955.70000114.8
300I35.1Very low33Very low143 Ų143133.6 Ų133.673%0.73372%0.718SS**Hα-helixtrans-69.5-43.2-170.4-58.9176.6000112.5E302 A303I300-E302 VanDerWaalsContact C-N 3.28Å; I300-E302 PolarHBondContact O-N 3.42Å; I300-A303 PolarHBondContact O-N 2.91Å
301A34.6Very low34Very low82 Ų82127.4 Ų127.468%0.67870%0.699SS**Hα-helixtrans-70.6-17.6-174.900000114.9
302E37.5Very low34.8Very low137 Ų137124.4 Ų124.464%0.6468%0.683SS**Hα-helixtrans-92-23.4179.2-62.2-161.2135.400113.2I300I300-E302 VanDerWaalsContact C-N 3.28Å; I300-E302 PolarHBondContact O-N 3.42Å
303A37Very low35.4Very low48 Ų48123.5 Ų123.540%0.39767%0.672SS.*Hα-helixtrans-65-56.7178.300000111.5I300 R305 R306 E307I300-A303 PolarHBondContact O-N 2.91Å; A303-R305 PolarHBondContact O-N 3.31Å; A303-R305 VanDerWaalsContact O-N 3.1Å; A303-R306 PolarHBondContact O-N 3.17Å; A303-E307 PolarHBondContact O-N 2.65Å
304S39Very low36.5Very low73 Ų73124 Ų12451%0.5166%0.664SS.*Hα-helixtrans-61.6-24.7-177.7-49.20000113.4R306 F308S304-R306 VanDerWaalsContact C-N 3.34Å; S304-F308 WeakPolarHBondContact O-CB 3.21Å; S304-F308 PolarHBondContact O-N 2.82Å
305R41.1Very low37.7Very low207 Ų207122.6 Ų122.678%0.78165%0.651SS**Hα-helixtrans-76.7-14174.8-80.6-174.9166.1-170.5-3.1114.3A303A303-R305 PolarHBondContact O-N 3.31Å; A303-R305 VanDerWaalsContact O-N 3.1Å
306R43.8Very low38.8Very low187 Ų187122.1 Ų122.171%0.70664%0.638SS**Hα-helixtrans-90.6-44.6170.6-69.1-176.1-178.5160.36.2111.5A303 S304 F308 R309 A310A303-R306 PolarHBondContact O-N 3.17Å; S304-R306 VanDerWaalsContact C-N 3.34Å; R306-F308 PolarHBondContact O-N 3.47Å; R306-R309 PolarHBondContact O-N 3.32Å; R306-R309 VanDerWaalsContact O-N 3.09Å; R306-A310 PolarHBondContact O-N 3.01Å
307E43.2Very low39.8Very low127 Ų127120.9 Ų120.959%0.59363%0.626SS**Hα-helixtrans-60.1-45.1179.5-64.8173.6145.200112A303 R309 A310 H311A303-E307 PolarHBondContact O-N 2.65Å; E307-R309 PolarHBondContact O-N 2.85Å; E307-A310 PolarHBondContact O-N 2.9Å; E307-H311 PolarHBondContact O-N 2.77Å
308F37.8Very low40.6Very low160 Ų160119.7 Ų119.770%0.70261%0.614SS**Hα-helixtrans-65.8-21.5177.8-152.1-88.5000113.5S304 R306 L312S304-F308 WeakPolarHBondContact O-CB 3.21Å; S304-F308 PolarHBondContact O-N 2.82Å; R306-F308 PolarHBondContact O-N 3.47Å; F308-L312 HydrophobicContact CE1-CD1 4.28Å
309R42.3Very low41.2Very low193 Ų193120.5 Ų120.573%0.72861%0.61SS**Hα-helixtrans-83.8-42.5177.6-136.6171.5-169.7159.82.9111.4R306 E307 H311 L312 D313R306-R309 PolarHBondContact O-N 3.32Å; R306-R309 VanDerWaalsContact O-N 3.09Å; E307-R309 PolarHBondContact O-N 2.85Å; R309-H311 PolarHBondContact O-N 3.08Å; R309-L312 WeakPolarHBondContact O-CB 3.36Å; R309-L312 PolarHBondContact O-N 2.92Å; R309-L312 VanDerWaalsContact O-N 3.08Å; R309-D313 PolarHBondContact O-N 2.7Å
310A44.1Very low41.7Very low61 Ų61120.9 Ų120.950%0.50461%0.613SS.*Hα-helixtrans-57.7-44.7175.500000112.4R306 E307 L312 D313 E314R306-A310 PolarHBondContact O-N 3.01Å; E307-A310 PolarHBondContact O-N 2.9Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 3.48Å; A310-D313 PolarHBondContact O-N 3.17Å; A310-E314 WeakPolarHBondContact O-CB 3.34Å; A310-E314 PolarHBondContact O-N 3.06Å; A310-E314 VanDerWaalsContact O-N 3.12Å
311H44.1Very low42.5Very low122 Ų122123.8 Ų123.857%0.56561%0.614SS**Hα-helixtrans-67.7-24.5176.3-80.9-41.9000114.1E307 R309 E314 V315E307-H311 PolarHBondContact O-N 2.77Å; R309-H311 PolarHBondContact O-N 3.08Å; H311-E314 IonicContact CE1-OE2 3.59Å; H311-E314 IonicContact ND1-OE2 2.94Å; H311-E314 PolarHBondContact ND1-OE2 3.33Å; H311-V315 VanDerWaalsContact O-CG2 3.31Å; H311-V315 WeakPolarHBondContact O-CG2 3.44Å; H311-V315 PolarHBondContact O-N 3.11Å; H311-V315 VanDerWaalsContact O-N 3.16Å
312L41.4Very low42.9Very low96 Ų96127 Ų12750%0.50361%0.61SS.*Hα-helixtrans-69.7-45.9174.8-125.980.6000111.1F308 R309 A310 E314 V315 I316F308-L312 HydrophobicContact CE1-CD1 4.28Å; R309-L312 WeakPolarHBondContact O-CB 3.36Å; R309-L312 PolarHBondContact O-N 2.92Å; R309-L312 VanDerWaalsContact O-N 3.08Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 3.48Å; L312-E314 VanDerWaalsContact C-N 3.31Å; L312-E314 PolarHBondContact O-N 3.03Å; L312-V315 PolarHBondContact O-N 3.01Å; L312-I316 WeakPolarHBondContact O-CB 3.42Å; L312-I316 WeakPolarHBondContact O-CD1 3.26Å; L312-I316 VanDerWaalsContact O-CG1 3.25Å; L312-I316 WeakPolarHBondContact O-CG1 3.23Å; L312-I316 PolarHBondContact O-N 2.65Å
313D41.9Very low43.6Very low98 Ų98126.4 Ų126.452%0.52462%0.621SS.*Hα-helixtrans-67.1-32.9179.1-67.5-35.5000112R309 A310 I316 T317R309-D313 PolarHBondContact O-N 2.7Å; A310-D313 PolarHBondContact O-N 3.17Å; D313-I316 PolarHBondContact O-N 3.04Å; D313-T317 WeakPolarHBondContact O-CB 3.39Å; D313-T317 WeakPolarHBondContact O-CG2 3.44Å; D313-T317 PolarHBondContact O-N 2.98Å; D313-T317 PolarHBondContact O-OG1 2.84Å
314E45.7Very low44.6Very low109 Ų109127.9 Ų127.951%0.50963%0.625SS.*Hα-helixtrans-65.5-41.5173.3-164.5172.4-137.400112.1A310 H311 L312 T317 L318A310-E314 WeakPolarHBondContact O-CB 3.34Å; A310-E314 PolarHBondContact O-N 3.06Å; A310-E314 VanDerWaalsContact O-N 3.12Å; H311-E314 IonicContact CE1-OE2 3.59Å; H311-E314 IonicContact ND1-OE2 2.94Å; H311-E314 PolarHBondContact ND1-OE2 3.33Å; L312-E314 VanDerWaalsContact C-N 3.31Å; L312-E314 PolarHBondContact O-N 3.03Å; E314-T317 PolarHBondContact O-OG1 3.47Å; E314-L318 PolarHBondContact O-N 2.9Å
315V47.9Very low45.1Very low101 Ų101131 Ų13161%0.61264%0.635SS**Hα-helixtrans-70.9-35.9174.7170.20000112.2H311 L312H311-V315 VanDerWaalsContact O-CG2 3.31Å; H311-V315 WeakPolarHBondContact O-CG2 3.44Å; H311-V315 PolarHBondContact O-N 3.11Å; H311-V315 VanDerWaalsContact O-N 3.16Å; L312-V315 PolarHBondContact O-N 3.01Å
316I45.9Very low45.4Very low107 Ų107127.3 Ų127.355%0.54963%0.631SS.*Hα-helixtrans-67.8-40.8177-71.8164000111L312 D313 K319L312-I316 WeakPolarHBondContact O-CB 3.42Å; L312-I316 WeakPolarHBondContact O-CD1 3.26Å; L312-I316 VanDerWaalsContact O-CG1 3.25Å; L312-I316 WeakPolarHBondContact O-CG1 3.23Å; L312-I316 PolarHBondContact O-N 2.65Å; D313-I316 PolarHBondContact O-N 3.04Å; I316-K319 PolarHBondContact O-N 3.46Å
317T44.2Very low45.7Very low90 Ų90124.8 Ų124.855%0.55263%0.627SS**Hα-helixtrans-73.3-26.2-179.847.60000114.1D313 E314 K319 S320D313-T317 WeakPolarHBondContact O-CB 3.39Å; D313-T317 WeakPolarHBondContact O-CG2 3.44Å; D313-T317 PolarHBondContact O-N 2.98Å; D313-T317 PolarHBondContact O-OG1 2.84Å; E314-T317 PolarHBondContact O-OG1 3.47Å; T317-K319 VanDerWaalsContact C-N 3.3Å; T317-K319 PolarHBondContact O-N 2.84Å; T317-S320 PolarHBondContact O-OG 2.8Å
318L44.4Very low45.9Very low113 Ų113123.2 Ų123.259%0.59262%0.623SS**Hα-helixtrans-69.6-23.7173-84.6164.9000113.9E314 S320E314-L318 PolarHBondContact O-N 2.9Å; L318-S320 PolarHBondContact O-N 3.1Å
319K41.3Very low46.5Very low190 Ų190122.2 Ų122.283%0.82662%0.62SS**THydrogen-bonded Turntrans-76.1-2.2-173.3-148.5175.7-175.9179.90114.8I316 T317I316-K319 PolarHBondContact O-N 3.46Å; T317-K319 VanDerWaalsContact C-N 3.3Å; T317-K319 PolarHBondContact O-N 2.84Å
320S44.4Very low46.7Very low95 Ų95117.7 Ų117.766%0.66462%0.616SS**THydrogen-bonded Turntrans-107.86.3-173.673.40000116.2T317 L318T317-S320 PolarHBondContact O-OG 2.8Å; L318-S320 PolarHBondContact O-N 3.1Å
321R50.7Low46.8Very low203 Ų203124.1 Ų124.177%0.76663%0.628SS**SBendtrans-129.5-1.5-170.6-59.5-166.1-170.1-168.25117.6
322Y44.2Very low47Very low151 Ų151122.9 Ų122.959%0.59263%0.625SS**  trans-135.5129.9-179.3-59.8-75.6000110.6
323S50.7Low47.1Very low124 Ų124124.7 Ų124.787%0.86763%0.63SS**  trans-108.3-1-161.449.70000116
324T58.5Low47.3Very low78 Ų78124.2 Ų124.248%0.47963%0.631SS.*  trans-138.5147.2173.653.80000111.7
325L48.8Very low47Very low138 Ų138124.2 Ų124.272%0.72363%0.634SS**SBendtrans-73.1-33.5-171-93.6161.4000114.2Q327 L328 H329L325-Q327 VanDerWaalsContact C-N 3.3Å; L325-Q327 PolarHBondContact O-N 3.03Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.15Å; L325-L328 VanDerWaalsContact O-N 3.08Å; L325-H329 PolarHBondContact O-N 2.81Å
326D47.8Very low46.8Very low130 Ų130125.6 Ų125.670%0.69563%0.632SS**Hα-helixtrans-67.2-29.3-171.4-56.4-55.7000113.5L328 H329 C330D326-L328 VanDerWaalsContact C-N 3.26Å; D326-L328 PolarHBondContact O-N 3.32Å; D326-H329 PolarHBondContact O-N 3.17Å; D326-C330 PolarHBondContact O-N 2.83Å
327Q49.8Very low46.5Very low134 Ų134124.9 Ų124.963%0.62663%0.629SS**Hα-helixtrans-69.4-22.6176-67.2-168.3-3.500113.2L325L325-Q327 VanDerWaalsContact C-N 3.3Å; L325-Q327 PolarHBondContact O-N 3.03Å
328L47.8Very low46.1Very low95 Ų95125 Ų12550%0.49763%0.626SS.*Hα-helixtrans-77.2-42173.8-81.4162.9000111.5L325 D326 R331 L332L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.15Å; L325-L328 VanDerWaalsContact O-N 3.08Å; D326-L328 VanDerWaalsContact C-N 3.26Å; D326-L328 PolarHBondContact O-N 3.32Å; L328-R331 PolarHBondContact O-N 2.86Å; L328-L332 PolarHBondContact O-N 2.71Å; L328-L332 VanDerWaalsContact O-N 3.16Å
329H51.1Low45.6Very low139 Ų139129.2 Ų129.264%0.64463%0.634SS**Hα-helixtrans-61.5-51.3-177.6-117.7140.7000112.1L325 D326 R331 L332 E333L325-H329 PolarHBondContact O-N 2.81Å; D326-H329 PolarHBondContact O-N 3.17Å; H329-R331 PolarHBondContact O-N 3.23Å; H329-R331 VanDerWaalsContact O-N 3.14Å; H329-L332 PolarHBondContact O-N 2.79Å; H329-E333 PolarHBondContact O-N 2.83Å
330C46Very low45.4Very low97 Ų97129.5 Ų129.566%0.65563%0.63SS**Hα-helixtrans-61.1-26.6-176.6-169.50000113.1D326D326-C330 PolarHBondContact O-N 2.83Å
331R46.3Very low44.9Very low197 Ų197134.2 Ų134.274%0.74363%0.633SS**Hα-helixtrans-90.1-20.1178.5-146.8169.1-172.3127.3-0.2113.7L328 H329 L335L328-R331 PolarHBondContact O-N 2.86Å; H329-R331 PolarHBondContact O-N 3.23Å; H329-R331 VanDerWaalsContact O-N 3.14Å; R331-L335 PolarHBondContact O-N 3.16Å
332L47.3Very low44Very low96 Ų96128.6 Ų128.650%0.50362%0.622SS.*Hα-helixtrans-75.7-27.8176.8-118.2160000112.7L328 H329 K336L328-L332 PolarHBondContact O-N 2.71Å; L328-L332 VanDerWaalsContact O-N 3.16Å; H329-L332 PolarHBondContact O-N 2.79Å; L332-K336 WeakPolarHBondContact O-CG 3.34Å; L332-K336 PolarHBondContact O-N 2.84Å
333E44.8Very low43.4Very low133 Ų133129.5 Ų129.562%0.62163%0.629SS**Hα-helixtrans-73.5-44.2174-61.1-151.1119.900112.3H329 L335 K336 D337H329-E333 PolarHBondContact O-N 2.83Å; E333-L335 VanDerWaalsContact C-N 3.25Å; E333-L335 PolarHBondContact O-N 3.23Å; E333-K336 WeakPolarHBondContact O-CB 3.33Å; E333-K336 PolarHBondContact O-N 3.36Å; E333-D337 PolarHBondContact O-N 3.11Å
334V45.1Very low42.5Very low88 Ų88128.6 Ų128.653%0.53362%0.623SS.*Hα-helixtrans-55.8-41.9175.9179.50000111.3K336 D337 D338V334-K336 VanDerWaalsContact C-N 3.29Å; V334-K336 PolarHBondContact O-N 2.8Å; V334-D337 PolarHBondContact O-N 2.86Å; V334-D338 PolarHBondContact O-N 3.24Å
335L40.6Very low41.1Very low110 Ų110129.5 Ų129.558%0.57663%0.632SS**Hα-helixtrans-70-18176.8-75169.3000114.6R331 E333R331-L335 PolarHBondContact O-N 3.16Å; E333-L335 VanDerWaalsContact C-N 3.25Å; E333-L335 PolarHBondContact O-N 3.23Å
336K43.4Very low40.2Very low130 Ų130133.6 Ų133.657%0.56564%0.638SS**Hα-helixtrans-77.6-39.1172.5-75.1171.7179.81740111.7L332 E333 V334 R340L332-K336 WeakPolarHBondContact O-CG 3.34Å; L332-K336 PolarHBondContact O-N 2.84Å; E333-K336 WeakPolarHBondContact O-CB 3.33Å; E333-K336 PolarHBondContact O-N 3.36Å; V334-K336 VanDerWaalsContact C-N 3.29Å; V334-K336 PolarHBondContact O-N 2.8Å; K336-R340 PolarHBondContact O-N 3.3Å
337D39.6Very low39.5Very low91 Ų91132.9 Ų132.949%0.48764%0.638SS.*Hα-helixtrans-76.3-37-177.8-102.24.6000113.3E333 V334 R339 R340 R341E333-D337 PolarHBondContact O-N 3.11Å; V334-D337 PolarHBondContact O-N 2.86Å; D337-R339 VanDerWaalsContact C-N 3.3Å; D337-R339 PolarHBondContact O-N 3.15Å; D337-R340 WeakPolarHBondContact O-CB 3.32Å; D337-R340 PolarHBondContact O-N 3.13Å; D337-R340 VanDerWaalsContact O-N 3.1Å; D337-R341 PolarHBondContact O-N 3.15Å
338D34.7Very low38.7Very low93 Ų93135.9 Ų135.950%0.49765%0.652SS.*Hα-helixtrans-64.2-34.2173.5-85.4-26000112.5V334 R341 T342V334-D338 PolarHBondContact O-N 3.24Å; D338-R341 PolarHBondContact O-N 3.41Å; D338-T342 WeakPolarHBondContact O-CG2 3.42Å; D338-T342 PolarHBondContact O-N 2.75Å; D338-T342 VanDerWaalsContact O-N 3.14Å; D338-T342 PolarHBondContact O-OG1 3.32Å
339R34.3Very low38Very low201 Ų201136 Ų13676%0.75866%0.661SS**Hα-helixtrans-66.4-35.2171-80.5-169.2173-153.20112.8D337 T342D337-R339 VanDerWaalsContact C-N 3.3Å; D337-R339 PolarHBondContact O-N 3.15Å; R339-T342 PolarHBondContact O-OG1 2.93Å
340R37.3Very low36.9Very low196 Ų196140.2 Ų140.274%0.7467%0.671SS**Hα-helixtrans-67-37.4174.7-79.8177.7161.5176.2-6.3112.8K336 D337K336-R340 PolarHBondContact O-N 3.3Å; D337-R340 WeakPolarHBondContact O-CB 3.32Å; D337-R340 PolarHBondContact O-N 3.13Å; D337-R340 VanDerWaalsContact O-N 3.1Å
341R33.9Very low36.1Very low194 Ų194141.3 Ų141.373%0.73268%0.679SS**Hα-helixtrans-76.4-32.8179.9-74-178.8170.8172.7-1114D337 D338D337-R341 PolarHBondContact O-N 3.15Å; D338-R341 PolarHBondContact O-N 3.41Å
342T32.7Very low35.5Very low86 Ų86136.2 Ų136.253%0.52867%0.673SS.*Hα-helixtrans-82.1-22.6-174.546.50000115D338 R339D338-T342 WeakPolarHBondContact O-CG2 3.42Å; D338-T342 PolarHBondContact O-N 2.75Å; D338-T342 VanDerWaalsContact O-N 3.14Å; D338-T342 PolarHBondContact O-OG1 3.32Å; R339-T342 PolarHBondContact O-OG1 2.93Å
343F30Very low34.8Very low169 Ų169137.1 Ų137.174%0.74169%0.688SS**Hα-helixtrans-80.6-27.4-178.9-131.8-95000114S345F343-S345 VanDerWaalsContact C-N 3.35Å; F343-S345 PolarHBondContact O-N 2.89Å
344S32.4Very low33.9Very low105 Ų105140.7 Ų140.773%0.73470%0.701SS**THydrogen-bonded Turntrans-71.4-24.5-175.1-167.10000113.9
345S29.6Very low33.1Very low97 Ų97142.8 Ų142.868%0.67871%0.705SS**THydrogen-bonded Turntrans-97.83.6-169.258.80000116F343F343-S345 VanDerWaalsContact C-N 3.35Å; F343-S345 PolarHBondContact O-N 2.89Å
346R28.9Very low32.6Very low225 Ų225145 Ų14585%0.84972%0.718SS**SBendtrans-119.5-1.1-174.3-83.3-172.2169.4-171.8-2.3116.9
347V35Very low32.2Very low115 Ų115146.6 Ų146.670%0.69773%0.73SS**SBendtrans-93.6-21.9-176.2-175.60000113.4S349V347-S349 PolarHBondContact O-N 2.9Å
348Q32.5Very low32Very low197 Ų197150.3 Ų150.392%0.92175%0.749SS**SBendtrans-7619.4-174-82-172.6-24.100116.4
349S32.9Very low32.3Very low97 Ų97156.1 Ų156.168%0.67876%0.764SS**SBendtrans-15380.5179.7-160.80000115.4V347V347-S349 PolarHBondContact O-N 2.9Å
350R28.6Very low32.5Very low227 Ų227150.9 Ų150.986%0.85776%0.759SS**SBendtrans155.4138.9131-84.6158.3178.3-167.3-3.1112
351C28.6Very low33Very low121 Ų121146.1 Ų146.182%0.81876%0.756SS**  trans57.5100.2169.6-52.10000114.6
352S34Very low34Very low89 Ų89143.3 Ų143.362%0.62275%0.75SS**  cis53.1135.237.7-155.90000113.6
353S31.8Very low35.4Very low116 Ų116140.2 Ų140.281%0.81173%0.733SS**SBendtrans80.813176.9-46.40000119.5
354K26.7Very low37.2Very low207 Ų207135.7 Ų135.790%0.973%0.726SS**  trans-143.928.2170.6-79.5-159.4173.6-174.50116.5
355E27.7Very low38.8Very low133 Ų133131.3 Ų131.362%0.62170%0.695SS**  trans-92.4-4.6-169.5-73.1175.511500116.9I357E355-I357 PolarHBondContact O-N 3.18Å
356N30.7Very low40.5Very low156 Ų156130.2 Ų130.283%0.83468%0.682SS**THydrogen-bonded Turntrans-87.314.9-168-74.516.2000116.5
357I35.2Very low42.4Very low163 Ų163123.8 Ų123.884%0.83666%0.663SS**THydrogen-bonded Turntrans-127-0.7179.3-55.9-179.9000112.3E355E355-I357 PolarHBondContact O-N 3.18Å
358L34.8Very low43.7Very low169 Ų169123.6 Ų123.689%0.88566%0.662SS**  trans-132.371.8179.3-79.6167.6000112.1
359R39.6Very low45.1Very low215 Ų215119.8 Ų119.881%0.81164%0.643SS**  trans-136.7139.2160.7-65.9-178.1178.9-173.8-0.9107.2
360S38.8Very low46.5Very low92 Ų92118 Ų11864%0.64363%0.628SS**  cis-153.2122.8-7.939.40000108.3H362S360-H362 VanDerWaalsContact C-N 3.31Å; S360-H362 PolarHBondContact O-N 3.35Å
361S48.2Very low47.9Very low96 Ų96111.9 Ų111.967%0.67163%0.625SS**SBendtrans-88.211.7-171.649.70000115.1
362H56Low49.4Very low134 Ų134116.1 Ų116.162%0.6262%0.624SS**SBendtrans-140.3140173.2-67.1-57.5000109.7S360 D610S360-H362 VanDerWaalsContact C-N 3.31Å; S360-H362 PolarHBondContact O-N 3.35Å; H362-D610 WeakPolarHBondContact CA-OD1 3.36Å; H362-D610 IonicContact CE1-OD2 3.02Å; H362-D610 IonicContact CG-OD2 2.69Å; H362-D610 IonicContact ND1-OD2 2.8Å; H362-D610 PolarHBondContact ND1-OD2 3.11Å
363S60.4Low50.8Low22 Ų22117.8 Ų117.815%0.15462%0.617CS.*  trans-70.4153.1175.5169.70000112.5V365 P609 D610 D647S363-V365 VanDerWaalsContact C-N 3.34Å; S363-V365 WeakPolarHBondContact OG-CB 3.35Å; S363-V365 VanDerWaalsContact OG-CG2 3.32Å; S363-V365 WeakPolarHBondContact OG-CG2 3.22Å; S363-V365 PolarHBondContact OG-N 3.04Å; S363-P609 WeakPolarHBondContact OG-CB 3.31Å; S363-D610 WeakPolarHBondContact CB-OD1 3.49Å; S363-D610 PolarHBondContact N-OD1 3.02Å; S363-D647 WeakPolarHBondContact CA-OD1 3.31Å; S363-D647 WeakPolarHBondContact CB-OD2 3.33Å; S363-D647 VanDerWaalsContact OG-CG 3.26Å; S363-D647 PolarHBondContact OG-OD1 2.85Å; S363-D647 PolarHBondContact OG-OD2 3.47Å
364A67.9Low52.4Low74 Ų74118.4 Ų118.461%0.61261%0.607SS**  trans-86.81.8170.500000113.7D366 I646 D647A364-D366 PolarHBondContact O-N 2.83Å; A364-I646 HydrophobicContact CB-CG2 3.93Å; A364-D647 PolarHBondContact N-OD1 3.36Å
365V67.5Low54.4Low12 Ų12119.8 Ų119.87%0.07361%0.606CS.*  trans-72.8109.7-178.6175.90000111.5S363 I367 P609 Y639 Q642 V643S363-V365 VanDerWaalsContact C-N 3.34Å; S363-V365 WeakPolarHBondContact OG-CB 3.35Å; S363-V365 VanDerWaalsContact OG-CG2 3.32Å; S363-V365 WeakPolarHBondContact OG-CG2 3.22Å; S363-V365 PolarHBondContact OG-N 3.04Å; V365-I367 HydrophobicContact CG1-CG2 4.49Å; V365-I367 PolarHBondContact O-N 2.94Å; V365-P609 HydrophobicContact CB-CB 3.97Å; V365-P609 HydrophobicContact CB-CG 4.31Å; V365-P609 HydrophobicContact CG1-CB 4.39Å; V365-P609 HydrophobicContact CG2-CB 4.38Å; V365-Y639 HydrophobicContact CG1-CD1 4.12Å; V365-Q642 HydrophobicContact CG1-CB 4.19Å; V365-Q642 HydrophobicContact CG2-CB 3.81Å; V365-V643 HydrophobicContact CG2-CG2 4.18Å
366D64.7Low56.4Low75 Ų75121.4 Ų121.440%0.40162%0.616SS.*  trans-7989.2-179.1-174.4-6.7000113.2A364 T368 K369A364-D366 PolarHBondContact O-N 2.83Å; D366-T368 PolarHBondContact O-N 2.94Å; D366-T368 VanDerWaalsContact O-N 3.17Å; D366-T368 WeakPolarHBondContact OD1-CB 3.35Å; D366-T368 PolarHBondContact OD1-N 3.28Å; D366-T368 PolarHBondContact OD1-OG1 2.9Å; D366-K369 WeakPolarHBondContact OD2-CD 3.44Å; D366-K369 WeakPolarHBondContact OD2-CE 3.36Å; D366-K369 IonicContact OD2-NZ 2.78Å; D366-K369 PolarHBondContact OD2-NZ 2.86Å
367I68.9Low58.1Low89 Ų89114.8 Ų114.846%0.45658%0.582SS.*THydrogen-bonded Turntrans-63.8-11.5175.964.1174.9000114.5V365 K369 P609 Y639V365-I367 HydrophobicContact CG1-CG2 4.49Å; V365-I367 PolarHBondContact O-N 2.94Å; I367-K369 PolarHBondContact O-N 3.18Å; I367-P609 HydrophobicContact CG2-CG 4.18Å; I367-Y639 HydrophobicContact CB-CE1 4.47Å; I367-Y639 HydrophobicContact CG2-CD1 4.38Å; I367-Y639 HydrophobicContact CG2-CE1 3.76Å; I367-Y639 HydrophobicContact CG2-CE2 4.38Å
368T61.7Low60Low111 Ų111111.1 Ų111.168%0.68157%0.568SS**THydrogen-bonded Turntrans-80.5-17.1-172.372.30000113.8D366 V370D366-T368 PolarHBondContact O-N 2.94Å; D366-T368 VanDerWaalsContact O-N 3.17Å; D366-T368 WeakPolarHBondContact OD1-CB 3.35Å; D366-T368 PolarHBondContact OD1-N 3.28Å; D366-T368 PolarHBondContact OD1-OG1 2.9Å; T368-V370 PolarHBondContact O-N 2.93Å
369K63.1Low62.3Low118 Ų118104.9 Ų104.951%0.51353%0.534SS..  trans-98.835.4-167.4-69.5175.3-177143.30114.5D366 I367 A371 R372D366-K369 WeakPolarHBondContact OD2-CD 3.44Å; D366-K369 WeakPolarHBondContact OD2-CE 3.36Å; D366-K369 IonicContact OD2-NZ 2.78Å; D366-K369 PolarHBondContact OD2-NZ 2.86Å; I367-K369 PolarHBondContact O-N 3.18Å; K369-A371 PolarHBondContact O-N 3.46Å; K369-R372 PolarHBondContact O-N 2.76Å
370V60.8Low64.6Low59 Ų5999.2 Ų99.236%0.35853%0.526SS..G310 helixtrans-42.6-45.2-177.8-179.70000113.7T368 R372 R373 E636T368-V370 PolarHBondContact O-N 2.93Å; V370-R372 PolarHBondContact O-N 3.4Å; V370-R372 VanDerWaalsContact O-N 3.17Å; V370-R373 WeakPolarHBondContact O-CB 3.27Å; V370-R373 WeakPolarHBondContact O-CG 3.34Å; V370-R373 PolarHBondContact O-N 2.78Å; V370-E636 HydrophobicContact CG1-CG 3.97Å; V370-E636 HydrophobicContact CG2-CG 4.4Å
371A58.2Low67Low98 Ų9898.8 Ų98.881%0.8152%0.515SS*.G310 helixtrans-64.4-18.6-17900000114.9K369K369-A371 PolarHBondContact O-N 3.46Å
372R59.5Low69.1Low211 Ų21195 Ų9580%0.79649%0.488SS*.G310 helixtrans-100.65.4178.9-63.2-172.8179.4-1720.6113.6K369 V370K369-R372 PolarHBondContact O-N 2.76Å; V370-R372 PolarHBondContact O-N 3.4Å; V370-R372 VanDerWaalsContact O-N 3.17Å
373R65.4Low70.9Confident123 Ų12391.3 Ų91.346%0.46448%0.478SS..SBendtrans-58146.7178.376.7-176.1-176.9-155.1-2112.1V370 R375 E636V370-R373 WeakPolarHBondContact O-CB 3.27Å; V370-R373 WeakPolarHBondContact O-CG 3.34Å; V370-R373 PolarHBondContact O-N 2.78Å; R373-R375 PolarHBondContact O-N 2.82Å; R373-E636 IonicContact CZ-OE2 3.21Å; R373-E636 IonicContact NH1-OE2 3.24Å; R373-E636 PolarHBondContact NH1-OE2 3.03Å
374H63.9Low72.5Confident130 Ų13090.8 Ų90.860%0.60247%0.473SS*.  trans-63.7120.9178.8-60.7-49000111.3M376 M634H374-M376 WeakPolarHBondContact CB-O 3.19Å; H374-M634 WeakPolarHBondContact O-CE 3.29Å
375R69.7Low73.7Confident236 Ų23692.7 Ų92.789%0.89147%0.473SS*.SBendtrans-82.4-15176.2-62.7-171.1-178.5-157.80.8113.5R373R373-R375 PolarHBondContact O-N 2.82Å
376M68.3Low74.9Confident166 Ų16698.3 Ų98.382%0.81850%0.496SS*.SBendtrans-115.8141.4167.4-68.9171.562.200107.6H374H374-M376 WeakPolarHBondContact CB-O 3.19Å
377S67.1Low76.3Confident18 Ų1894.8 Ų94.813%0.12648%0.477CS..  trans-67131.4179.2-163.40000110.4F379 M634S377-F379 PolarHBondContact O-N 2.99Å; S377-M634 WeakPolarHBondContact CB-SD 3.32Å
378P75.7Confident77.5Confident85 Ų8592.2 Ų92.255%0.55246%0.463SS*.SBendtrans-67.2-24.6-178.727-34.5000112.6
379F82.3Confident79.1Confident38 Ų3891 Ų9117%0.16745%0.452CS..SBendtrans-79.3132.3178.2-59.3-76.1000111.3S377 K641 I652 R656S377-F379 PolarHBondContact O-N 2.99Å; F379-K641 HydrophobicContact CD2-CD 4.38Å; F379-K641 HydrophobicContact CE2-CB 4.38Å; F379-K641 HydrophobicContact CE2-CD 4.02Å; F379-K641 HydrophobicContact CE2-CG 4.39Å; F379-I652 HydrophobicContact CD1-CG2 4.03Å; F379-I652 HydrophobicContact CE1-CB 3.92Å; F379-I652 HydrophobicContact CE1-CD1 4.09Å; F379-I652 HydrophobicContact CE1-CG2 3.53Å; F379-I652 HydrophobicContact CZ-CB 4.4Å; F379-I652 HydrophobicContact CZ-CD1 3.69Å; F379-I652 HydrophobicContact CZ-CG2 4.04Å; F379-R656 VanDerWaalsContact O-CZ 3.28Å; F379-R656 PolarHBondContact O-NE 3.24Å; F379-R656 PolarHBondContact O-NH2 2.78Å
380P89Confident80.6Confident97 Ų9786.4 Ų86.463%0.6343%0.433SS*.  trans-62.5162.8173.228.5-35.1000111.3
381L89Confident82.3Confident82 Ų8283.7 Ų83.743%0.42942%0.417SS..  trans-95.1109.4-177-144.1170000108.6R656 F658 L663L381-R656 HydrophobicContact CG-CB 4.3Å; L381-F658 HydrophobicContact CD2-CB 3.56Å; L381-F658 HydrophobicContact CD2-CD2 3.77Å; L381-F658 HydrophobicContact CD2-CG 4.16Å; L381-L663 HydrophobicContact CD1-CD1 4.42Å; L381-L663 HydrophobicContact CD2-CD1 4.34Å; L381-L663 HydrophobicContact CG-CD1 4.48Å
382T92.1Very high84Confident16 Ų1680.4 Ų80.410%0.09839%0.385CS..BIsolated β-bridgetrans-92.4140.6-168.7-48.50000110.9K386 A387 R656 V657 F658T382-K386 HydrophobicContact CG2-CB 3.95Å; T382-K386 HydrophobicContact CG2-CD 4.07Å; T382-K386 HydrophobicContact CG2-CG 3.88Å; T382-A387 HydrophobicContact CG2-CB 4.22Å; T382-R656 WeakPolarHBondContact CB-O 3.26Å; T382-R656 PolarHBondContact N-O 3.07Å; T382-R656 PolarHBondContact OG1-O 3.03Å; T382-V657 CarbonylContact O-C 3.53Å; T382-V657 WeakPolarHBondContact O-CA 3.31Å; T382-F658 WeakPolarHBondContact O-CB 3.22Å; T382-F658 PolarHBondContact O-N 2.88Å
383S94.2Very high85.6Confident57 Ų5776.4 Ų76.440%0.39938%0.376SS..  trans-66.6156.1171.759.40000111.5D385 K386 A387S383-D385 PolarHBondContact O-N 3.14Å; S383-K386 PolarHBondContact O-N 3.25Å; S383-K386 WeakPolarHBondContact OG-CB 3.44Å; S383-A387 WeakPolarHBondContact O-CB 3.33Å; S383-A387 PolarHBondContact O-N 3.25Å
384M93Very high86.9Confident12 Ų1273.1 Ų73.16%0.05937%0.366CS..Hα-helixtrans-55.4-50.7178.5-178.968.2-16000111.7K386 A387 F388 V657 M659 L696 F697 Y732M384-K386 VanDerWaalsContact C-N 3.32Å; M384-K386 PolarHBondContact O-N 3.11Å; M384-A387 WeakPolarHBondContact O-CB 3.41Å; M384-A387 PolarHBondContact O-N 3.08Å; M384-A387 VanDerWaalsContact O-N 3.13Å; M384-F388 HydrophobicContact CE-CD2 4.47Å; M384-F388 WeakPolarHBondContact O-CB 3.35Å; M384-F388 PolarHBondContact O-N 2.83Å; M384-V657 HydrophobicContact SD-CG1 4.3Å; M384-M659 HydrophobicContact CE-CE 4.49Å; M384-M659 HydrophobicContact SD-CB 4.47Å; M384-M659 HydrophobicContact SD-CE 3.85Å; M384-M659 HydrophobicContact SD-SD 4.1Å; M384-L696 HydrophobicContact CE-CB 3.92Å; M384-L696 HydrophobicContact CE-CD1 4.18Å; M384-L696 HydrophobicContact CE-CD2 4.11Å; M384-L696 HydrophobicContact CE-CG 4.31Å; M384-F697 HydrophobicContact CE-CD1 4.3Å; M384-F697 HydrophobicContact CE-CE1 3.46Å; M384-F697 VanDerWaalsContact CE-CE1 3.46Å; M384-F697 HydrophobicContact CE-CE2 4.27Å; M384-F697 HydrophobicContact CE-CZ 3.44Å; M384-F697 VanDerWaalsContact CE-CZ 3.44Å; M384-F697 HydrophobicContact SD-CE1 4.02Å; M384-F697 HydrophobicContact SD-CE2 4.47Å; M384-F697 HydrophobicContact SD-CZ 3.55Å; M384-F697 VanDerWaalsContact SD-CZ 3.55Å; M384-Y732 WeakPolarHBondContact CG-OH 3.4Å; M384-Y732 HydrophobicContact SD-CE2 4.41Å
385D92.7Very high88.3Confident113 Ų11367 Ų6760%0.60434%0.338SS*.Hα-helixtrans-64.2-40.5-173.6-36.1-66000110.8S383 F388 I389S383-D385 PolarHBondContact O-N 3.14Å; D385-F388 PolarHBondContact O-N 2.71Å; D385-I389 WeakPolarHBondContact O-CB 3.25Å; D385-I389 WeakPolarHBondContact O-CD1 3.26Å; D385-I389 WeakPolarHBondContact O-CG1 3.3Å; D385-I389 PolarHBondContact O-N 2.77Å
386K94.1Very high89.2Confident131 Ų13158.1 Ų58.157%0.5732%0.315SS*.Hα-helixtrans-65-43.3174.7-178171.1178.3177.80111.5T382 S383 M384 F388 I389 T390T382-K386 HydrophobicContact CG2-CB 3.95Å; T382-K386 HydrophobicContact CG2-CD 4.07Å; T382-K386 HydrophobicContact CG2-CG 3.88Å; S383-K386 PolarHBondContact O-N 3.25Å; S383-K386 WeakPolarHBondContact OG-CB 3.44Å; M384-K386 VanDerWaalsContact C-N 3.32Å; M384-K386 PolarHBondContact O-N 3.11Å; K386-F388 PolarHBondContact O-N 2.57Å; K386-I389 PolarHBondContact O-N 3.08Å; K386-T390 WeakPolarHBondContact O-CB 3.35Å; K386-T390 PolarHBondContact O-N 3.08Å; K386-T390 PolarHBondContact O-OG1 2.69Å
387A93.8Very high90.4Very high0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-61.5-43.8176.700000111.6T382 S383 M384 T390 V391 F654 V657 F697T382-A387 HydrophobicContact CG2-CB 4.22Å; S383-A387 WeakPolarHBondContact O-CB 3.33Å; S383-A387 PolarHBondContact O-N 3.25Å; M384-A387 WeakPolarHBondContact O-CB 3.41Å; M384-A387 PolarHBondContact O-N 3.08Å; M384-A387 VanDerWaalsContact O-N 3.13Å; A387-T390 PolarHBondContact O-N 2.74Å; A387-V391 WeakPolarHBondContact O-CG2 3.46Å; A387-V391 PolarHBondContact O-N 2.79Å; A387-F654 HydrophobicContact CB-CD1 4.14Å; A387-F654 HydrophobicContact CB-CE1 3.74Å; A387-F654 HydrophobicContact CB-CE2 4.24Å; A387-F654 HydrophobicContact CB-CZ 3.79Å; A387-F654 WeakPolarHBondContact O-CE1 3.4Å; A387-V657 HydrophobicContact CB-CG1 3.98Å; A387-V657 HydrophobicContact CB-CG2 3.89Å; A387-F697 HydrophobicContact CB-CE1 3.88Å; A387-F697 HydrophobicContact CB-CZ 4.19Å
388F94.8Very high91.5Very high36 Ų3654.8 Ų54.816%0.15830%0.302CS..Hα-helixtrans-63.7-47.4177.4-174.3-87.2000112.3M384 D385 K386 V391 L392 L696 F697 P700 R712M384-F388 HydrophobicContact CE-CD2 4.47Å; M384-F388 WeakPolarHBondContact O-CB 3.35Å; M384-F388 PolarHBondContact O-N 2.83Å; D385-F388 PolarHBondContact O-N 2.71Å; K386-F388 PolarHBondContact O-N 2.57Å; F388-V391 PolarHBondContact O-N 2.65Å; F388-L392 HydrophobicContact CD1-CD1 4.02Å; F388-L392 HydrophobicContact CE1-CD1 3.42Å; F388-L392 VanDerWaalsContact CE1-CD1 3.42Å; F388-L392 HydrophobicContact CE1-CG 4.24Å; F388-L392 HydrophobicContact CZ-CD1 4.02Å; F388-L392 PolarHBondContact O-N 3.35Å; F388-L392 VanDerWaalsContact O-N 3.08Å; F388-L696 VanDerWaalsContact CD2-O 3.31Å; F388-L696 WeakPolarHBondContact CD2-O 3.38Å; F388-L696 WeakPolarHBondContact CE2-O 3.33Å; F388-F697 HydrophobicContact CB-CE1 4.39Å; F388-P700 HydrophobicContact CE2-CB 4.14Å; F388-P700 HydrophobicContact CE2-CG 3.83Å; F388-P700 HydrophobicContact CZ-CB 4.19Å; F388-P700 HydrophobicContact CZ-CG 4.23Å; F388-R712 HydrophobicContact CE1-CG 4.18Å; F388-R712 HydrophobicContact CZ-CG 4.23Å
389I95.2Very high92.2Very high86 Ų8652.9 Ų52.944%0.44130%0.297SS..Hα-helixtrans-60.1-48.7175.7-70.8165000110.3D385 K386 V391 L392 E393D385-I389 WeakPolarHBondContact O-CB 3.25Å; D385-I389 WeakPolarHBondContact O-CD1 3.26Å; D385-I389 WeakPolarHBondContact O-CG1 3.3Å; D385-I389 PolarHBondContact O-N 2.77Å; K386-I389 PolarHBondContact O-N 3.08Å; I389-V391 VanDerWaalsContact C-N 3.33Å; I389-V391 PolarHBondContact O-N 3.11Å; I389-L392 CarbonylContact O-C 3.55Å; I389-L392 PolarHBondContact O-N 3.35Å; I389-L392 VanDerWaalsContact O-N 3.11Å; I389-E393 VanDerWaalsContact CG2-CD 3.45Å; I389-E393 HydrophobicContact CG2-CG 3.98Å; I389-E393 WeakPolarHBondContact CG2-OE1 3.46Å; I389-E393 WeakPolarHBondContact O-CB 3.48Å; I389-E393 WeakPolarHBondContact O-CG 3.46Å; I389-E393 PolarHBondContact O-N 3Å
390T94.8Very high92.8Very high20 Ų2053.6 Ų53.612%0.12331%0.305CS..Hα-helixtrans-62.6-35.8179.4-62.50000112.9K386 A387 M394 H653K386-T390 WeakPolarHBondContact O-CB 3.35Å; K386-T390 PolarHBondContact O-N 3.08Å; K386-T390 PolarHBondContact O-OG1 2.69Å; A387-T390 PolarHBondContact O-N 2.74Å; T390-M394 HydrophobicContact CG2-CG 4.13Å; T390-M394 WeakPolarHBondContact O-CB 3.18Å; T390-M394 WeakPolarHBondContact O-CG 3.17Å; T390-M394 PolarHBondContact O-N 3.47Å; T390-M394 VanDerWaalsContact O-N 3.08Å; T390-H653 HydrophobicContact CG2-CB 3.82Å
391V95.1Very high93.1Very high2 Ų252 Ų521%0.01229%0.289CS..Hα-helixtrans-61.3-49.1171.6167.60000110.7A387 F388 I389 T395 F654 F667 F680 F697 A701A387-V391 WeakPolarHBondContact O-CG2 3.46Å; A387-V391 PolarHBondContact O-N 2.79Å; F388-V391 PolarHBondContact O-N 2.65Å; I389-V391 VanDerWaalsContact C-N 3.33Å; I389-V391 PolarHBondContact O-N 3.11Å; V391-T395 VanDerWaalsContact O-CB 3.28Å; V391-T395 WeakPolarHBondContact O-CB 3.17Å; V391-T395 PolarHBondContact O-N 2.89Å; V391-T395 VanDerWaalsContact O-N 3.17Å; V391-T395 PolarHBondContact O-OG1 3.08Å; V391-F654 HydrophobicContact CG2-CE1 3.93Å; V391-F654 HydrophobicContact CG2-CZ 3.88Å; V391-F667 HydrophobicContact CB-CE1 4.46Å; V391-F667 HydrophobicContact CG2-CB 4.4Å; V391-F667 HydrophobicContact CG2-CD1 3.77Å; V391-F667 HydrophobicContact CG2-CD2 4.21Å; V391-F667 HydrophobicContact CG2-CE1 4.04Å; V391-F667 HydrophobicContact CG2-CE2 4.43Å; V391-F667 HydrophobicContact CG2-CG 3.87Å; V391-F667 HydrophobicContact CG2-CZ 4.35Å; V391-F680 HydrophobicContact CG1-CE1 3.89Å; V391-F680 HydrophobicContact CG1-CZ 3.91Å; V391-F680 HydrophobicContact CG2-CE1 4.03Å; V391-F697 HydrophobicContact CG2-CB 4.48Å; V391-F697 HydrophobicContact CG2-CD1 4.21Å; V391-A701 HydrophobicContact CG1-CB 3.84Å
392L93.9Very high93.5Very high29 Ų2953.9 Ų53.915%0.15230%0.298CS..Hα-helixtrans-68-38.3179.9-70-175.7000113F388 I389 P700 K704 P711F388-L392 HydrophobicContact CD1-CD1 4.02Å; F388-L392 HydrophobicContact CE1-CD1 3.42Å; F388-L392 VanDerWaalsContact CE1-CD1 3.42Å; F388-L392 HydrophobicContact CE1-CG 4.24Å; F388-L392 HydrophobicContact CZ-CD1 4.02Å; F388-L392 PolarHBondContact O-N 3.35Å; F388-L392 VanDerWaalsContact O-N 3.08Å; I389-L392 CarbonylContact O-C 3.55Å; I389-L392 PolarHBondContact O-N 3.35Å; I389-L392 VanDerWaalsContact O-N 3.11Å; L392-P700 HydrophobicContact CD2-CB 4.01Å; L392-K704 HydrophobicContact CD2-CB 4.37Å; L392-K704 HydrophobicContact CD2-CD 4.47Å; L392-K704 VanDerWaalsContact O-CD 3.26Å; L392-K704 WeakPolarHBondContact O-CD 3.35Å; L392-K704 WeakPolarHBondContact O-CE 3.42Å; L392-K704 PolarHBondContact O-NZ 3.45Å; L392-P711 HydrophobicContact CD1-CG 4.26Å; L392-P711 HydrophobicContact CD2-CB 4.37Å; L392-P711 HydrophobicContact CD2-CG 3.83Å
393E94.3Very high93.7Very high128 Ų12854.3 Ų54.360%0.59830%0.3SS*.Hα-helixtrans-64.2-47.8178-75.6175.5156.100111.8I389 T395I389-E393 VanDerWaalsContact CG2-CD 3.45Å; I389-E393 HydrophobicContact CG2-CG 3.98Å; I389-E393 WeakPolarHBondContact CG2-OE1 3.46Å; I389-E393 WeakPolarHBondContact O-CB 3.48Å; I389-E393 WeakPolarHBondContact O-CG 3.46Å; I389-E393 PolarHBondContact O-N 3Å; E393-T395 VanDerWaalsContact C-N 3.34Å; E393-T395 PolarHBondContact O-N 3.48Å
394M92.7Very high93.8Very high53 Ų5353.9 Ų53.926%0.26129%0.293SS..Hα-helixtrans-75.3-22.9-175.7-63.7-6417000113.4T390 H653 F667 T669 R676T390-M394 HydrophobicContact CG2-CG 4.13Å; T390-M394 WeakPolarHBondContact O-CB 3.18Å; T390-M394 WeakPolarHBondContact O-CG 3.17Å; T390-M394 PolarHBondContact O-N 3.47Å; T390-M394 VanDerWaalsContact O-N 3.08Å; M394-H653 VanDerWaalsContact SD-CE1 3.5Å; M394-F667 HydrophobicContact CB-CE1 3.98Å; M394-F667 HydrophobicContact CB-CZ 4.13Å; M394-F667 HydrophobicContact CG-CE1 4.36Å; M394-T669 HydrophobicContact CB-CG2 4.06Å; M394-R676 WeakPolarHBondContact O-CD 3.48Å; M394-R676 PolarHBondContact O-NH1 3.47Å; M394-R676 VanDerWaalsContact O-NH1 3.08Å
395T92.7Very high93.8Very high2 Ų255.1 Ų55.11%0.01230%0.297CS..PPolyproline II helixtrans-71123.6177.3-65.20000111.6V391 E393 L678 A701 K704 M705V391-T395 VanDerWaalsContact O-CB 3.28Å; V391-T395 WeakPolarHBondContact O-CB 3.17Å; V391-T395 PolarHBondContact O-N 2.89Å; V391-T395 VanDerWaalsContact O-N 3.17Å; V391-T395 PolarHBondContact O-OG1 3.08Å; E393-T395 VanDerWaalsContact C-N 3.34Å; E393-T395 PolarHBondContact O-N 3.48Å; T395-L678 HydrophobicContact CG2-CD1 3.95Å; T395-L678 WeakPolarHBondContact OG1-CD1 3.46Å; T395-A701 HydrophobicContact CG2-CB 4.44Å; T395-K704 HydrophobicContact CG2-CB 4.01Å; T395-K704 HydrophobicContact CG2-CD 4.06Å; T395-K704 HydrophobicContact CG2-CG 4.41Å; T395-K704 WeakPolarHBondContact O-CE 3.46Å; T395-K704 PolarHBondContact O-NZ 2.88Å; T395-M705 HydrophobicContact CG2-CG 3.5Å; T395-M705 HydrophobicContact CG2-SD 4.38Å
396A89.6Confident93.9Very high50 Ų5057.1 Ų57.141%0.41330%0.296SS..PPolyproline II helixtrans-83.3158.6171.700000111.8M705A396-M705 WeakPolarHBondContact O-CG 3.27Å
397V91.9Very high93.9Very high73 Ų7356 Ų5644%0.44230%0.296SS..PPolyproline II helixtrans-80.5144161.9-173.30000107.7
398L90.7Very high93.8Very high41 Ų4156 Ų5622%0.21530%0.296CS..  trans-75.4174.5177.6-68.2172000112.4Q554 K555 P557 M705L398-Q554 PolarHBondContact O-OE1 2.78Å; L398-K555 HydrophobicContact CB-CB 4.07Å; L398-K555 HydrophobicContact CD1-CB 4.19Å; L398-P557 HydrophobicContact CD1-CB 3.91Å; L398-M705 WeakPolarHBondContact CB-O 3.43Å; L398-M705 HydrophobicContact CD1-CB 4.06Å; L398-M705 HydrophobicContact CD1-CE 4.39Å; L398-M705 HydrophobicContact CD2-CE 3.99Å; L398-M705 HydrophobicContact CG-CB 4.06Å; L398-M705 HydrophobicContact CG-CE 4.29Å; L398-M705 PolarHBondContact N-O 2.82Å
399G90.6Very high93.7Very high45 Ų4559.2 Ų59.246%0.46431%0.313SS..  trans-75.8171.8168.500000112.6K555G399-K555 VanDerWaalsContact O-CB 3.26Å; G399-K555 WeakPolarHBondContact O-CB 3.48Å; G399-K555 VanDerWaalsContact O-CG 3.24Å; G399-K555 WeakPolarHBondContact O-CG 3.46Å; G399-K555 PolarHBondContact O-N 3.5Å; G399-K555 VanDerWaalsContact O-N 3.08Å
400T95.8Very high93.5Very high52 Ų5256 Ų5632%0.31930%0.301SS..EExtended strand (participates in β ladder)trans-91.6164.4-177.156.80000113.4A414 E552 V553 K555T400-A414 HydrophobicContact CG2-CB 3.39Å; T400-E552 WeakPolarHBondContact CB-OE1 3.36Å; T400-E552 HydrophobicContact CG2-CG 4.36Å; T400-E552 WeakPolarHBondContact CG2-OE1 3.25Å; T400-E552 PolarHBondContact OG1-OE1 2.85Å; T400-V553 CarbonylContact C-O 3.52Å; T400-V553 WeakPolarHBondContact CA-O 3.43Å; T400-V553 WeakPolarHBondContact CB-O 3.48Å; T400-K555 WeakPolarHBondContact O-CE 3.26Å; T400-K555 PolarHBondContact O-NZ 2.91Å
401E95.1Very high93.4Very high64 Ų6456.3 Ų56.330%0.29930%0.3SS..EExtended strand (participates in β ladder)trans-147.9156.4167.455.3-170.4-17400111.3I403 R411 E552 V553 K555E401-I403 HydrophobicContact CG-CG2 4.13Å; E401-R411 IonicContact OE1-CZ 2.78Å; E401-R411 IonicContact OE1-NH1 3.67Å; E401-R411 PolarHBondContact OE1-NH1 3.13Å; E401-R411 IonicContact OE1-NH2 3.23Å; E401-R411 PolarHBondContact OE1-NH2 2.99Å; E401-E552 WeakPolarHBondContact O-CA 3.25Å; E401-V553 HydrophobicContact CG-CG2 4.12Å; E401-V553 PolarHBondContact N-O 3.41Å; E401-V553 PolarHBondContact O-N 2.88Å; E401-K555 HydrophobicContact CB-CG 4.16Å; E401-K555 VanDerWaalsContact CD-CG 3.47Å; E401-K555 HydrophobicContact CG-CG 3.7Å; E401-K555 VanDerWaalsContact OE2-CE 3.29Å; E401-K555 WeakPolarHBondContact OE2-CE 3.29Å; E401-K555 WeakPolarHBondContact OE2-CG 3.37Å
402I96.4Very high93.4Very high122 Ų12256.2 Ų56.263%0.62630%0.3SS*.EExtended strand (participates in β ladder)trans-95.3130.2173.1-58.7173.1000108E550 V551 E552I402-E550 HydrophobicContact CG2-CB 4.04Å; I402-V551 WeakPolarHBondContact CA-O 3.46Å; I402-E552 HydrophobicContact CG1-CB 4.47Å
403I95.6Very high93.5Very high24 Ų2454.9 Ų54.912%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-129.1164.6179.363.3165.7000111.4E401 D407 R411 E550 V551 V553E401-I403 HydrophobicContact CG-CG2 4.13Å; I403-D407 HydrophobicContact CD1-CB 4.33Å; I403-R411 HydrophobicContact CD1-CB 4.46Å; I403-R411 HydrophobicContact CD1-CG 3.91Å; I403-E550 VanDerWaalsContact O-CA 3.32Å; I403-E550 WeakPolarHBondContact O-CA 3.48Å; I403-V551 HydrophobicContact CG1-CG2 4.08Å; I403-V551 PolarHBondContact N-O 3.29Å; I403-V551 PolarHBondContact O-N 2.91Å; I403-V553 HydrophobicContact CD1-CB 4.45Å; I403-V553 HydrophobicContact CD1-CG1 3.93Å; I403-V553 HydrophobicContact CD1-CG2 3.71Å; I403-V553 HydrophobicContact CG1-CG1 4.04Å; I403-V553 HydrophobicContact CG1-CG2 3.75Å; I403-V553 HydrophobicContact CG2-CG2 4Å
404N96.9Very high93.5Very high48 Ų4848.9 Ų48.926%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-70.5143.2166.7-163.2-104.1000110R406 D407 T549N404-R406 PolarHBondContact O-N 3.38Å; N404-R406 WeakPolarHBondContact OD1-CG 3.43Å; N404-R406 PolarHBondContact OD1-N 2.74Å; N404-R406 PolarHBondContact OD1-NH1 2.61Å; N404-D407 PolarHBondContact O-N 3.44Å; N404-T549 WeakPolarHBondContact CA-O 3.23Å; N404-T549 PolarHBondContact ND2-O 3Å; N404-T549 VanDerWaalsContact ND2-O 3.11Å
405Y94.1Very high93.6Very high38 Ų3849.3 Ų49.315%0.14927%0.267CS..G310 helixtrans-55.2-29.1-178.580.9-75.8000113.5D407 G408 I540 L543 A544 T549Y405-D407 VanDerWaalsContact C-N 3.31Å; Y405-D407 PolarHBondContact O-N 3.44Å; Y405-G408 PolarHBondContact O-N 3.28Å; Y405-I540 HydrophobicContact CD2-CG2 3.85Å; Y405-I540 HydrophobicContact CE2-CG2 4.22Å; Y405-I540 WeakPolarHBondContact O-CD1 3.29Å; Y405-L543 HydrophobicContact CD2-CB 4.45Å; Y405-A544 HydrophobicContact CD2-CB 4.32Å; Y405-A544 HydrophobicContact CE2-CB 3.76Å; Y405-T549 HydrophobicContact CD1-CG2 4.22Å; Y405-T549 HydrophobicContact CE1-CG2 4.22Å; Y405-T549 PolarHBondContact N-O 2.68Å
406R94Very high93.7Very high155 Ų15552.3 Ų52.359%0.58528%0.282SS*.G310 helixtrans-65.4-32.5178-61.9-178.7-173.289.4-3.6113.3N404 G408N404-R406 PolarHBondContact O-N 3.38Å; N404-R406 WeakPolarHBondContact OD1-CG 3.43Å; N404-R406 PolarHBondContact OD1-N 2.74Å; N404-R406 PolarHBondContact OD1-NH1 2.61Å; R406-G408 PolarHBondContact O-N 3.08Å
407D93.8Very high94Very high108 Ų10850 Ų5058%0.57826%0.263SS*.G310 helixtrans-84.82.9179.3-51.4-53.8000111.9I403 N404 Y405 M409I403-D407 HydrophobicContact CD1-CB 4.33Å; N404-D407 PolarHBondContact O-N 3.44Å; Y405-D407 VanDerWaalsContact C-N 3.31Å; Y405-D407 PolarHBondContact O-N 3.44Å; D407-M409 VanDerWaalsContact C-N 3.29Å; D407-M409 PolarHBondContact O-N 3.2Å
408G91.3Very high94.1Very high0 Ų052.7 Ų52.70%027%0.266CS..G310 helixtrans-76.7-4.8-178.900000115.3Y405 R406 G410 R411 I540Y405-G408 PolarHBondContact O-N 3.28Å; R406-G408 PolarHBondContact O-N 3.08Å; G408-G410 PolarHBondContact O-N 2.95Å; G408-G410 VanDerWaalsContact O-N 3.15Å; G408-R411 WeakPolarHBondContact O-CB 3.28Å; G408-R411 PolarHBondContact O-N 3.24Å; G408-I540 VanDerWaalsContact C-CD1 3.41Å
409M92.8Very high94.4Very high103 Ų10350.8 Ų50.851%0.50726%0.257SS..THydrogen-bonded Turntrans-57.8118.7178.6-83.1-63-57.300111.3D407 R411 P537 I540D407-M409 VanDerWaalsContact C-N 3.29Å; D407-M409 PolarHBondContact O-N 3.2Å; M409-R411 VanDerWaalsContact C-N 3.27Å; M409-R411 PolarHBondContact O-N 2.9Å; M409-P537 HydrophobicContact CE-CG 4.01Å; M409-P537 HydrophobicContact SD-CG 4.11Å; M409-I540 HydrophobicContact CG-CG1 4.28Å; M409-I540 HydrophobicContact SD-CG1 3.94Å
410G90.6Very high94.5Very high19 Ų1953.7 Ų53.720%0.19626%0.256CS..THydrogen-bonded Turntrans71.515.4-175.900000114.4G408 M535 F556 Q706G408-G410 PolarHBondContact O-N 2.95Å; G408-G410 VanDerWaalsContact O-N 3.15Å; G410-M535 WeakPolarHBondContact CA-O 3.49Å; G410-M535 PolarHBondContact N-O 2.88Å; G410-F556 WeakPolarHBondContact O-CE1 3.48Å; G410-Q706 PolarHBondContact O-NE2 3.1Å
411R93.8Very high94.4Very high26 Ų2655.4 Ų55.410%0.09826%0.264CS..  trans-92.2158.3172.6-68-71-164.8133.28.4111.3E401 I403 G408 M409 M535 V553 Q554 F556E401-R411 IonicContact OE1-CZ 2.78Å; E401-R411 IonicContact OE1-NH1 3.67Å; E401-R411 PolarHBondContact OE1-NH1 3.13Å; E401-R411 IonicContact OE1-NH2 3.23Å; E401-R411 PolarHBondContact OE1-NH2 2.99Å; I403-R411 HydrophobicContact CD1-CB 4.46Å; I403-R411 HydrophobicContact CD1-CG 3.91Å; G408-R411 WeakPolarHBondContact O-CB 3.28Å; G408-R411 PolarHBondContact O-N 3.24Å; M409-R411 VanDerWaalsContact C-N 3.27Å; M409-R411 PolarHBondContact O-N 2.9Å; R411-M535 HydrophobicContact CB-CE 3.81Å; R411-M535 PolarHBondContact O-N 3.49Å; R411-V553 HydrophobicContact CB-CB 4.14Å; R411-V553 HydrophobicContact CB-CG1 3.99Å; R411-V553 HydrophobicContact CB-CG2 4.45Å; R411-V553 HydrophobicContact CG-CG2 4.43Å; R411-Q554 PolarHBondContact NH1-O 3.4Å; R411-F556 HydrophobicContact CG-CZ 4.16Å; R411-F556 VanDerWaalsContact NE-CE2 3.34Å
412V95.3Very high94.3Very high1 Ų155 Ų551%0.00626%0.264CS..BIsolated β-bridgetrans-106.7127.3174-179.40000109.3A414 T533 H534 V553 Q554 Q706 I708V412-A414 PolarHBondContact O-N 3.07Å; V412-T533 WeakPolarHBondContact CA-O 3.47Å; V412-H534 HydrophobicContact CG2-CB 4.22Å; V412-V553 CarbonylContact O-C 3.37Å; V412-V553 VanDerWaalsContact O-CA 3.25Å; V412-V553 WeakPolarHBondContact O-CA 3.28Å; V412-V553 WeakPolarHBondContact O-CB 3.47Å; V412-Q554 HydrophobicContact CB-CG 4.33Å; V412-Q554 HydrophobicContact CG1-CG 4.48Å; V412-Q554 PolarHBondContact O-N 3.24Å; V412-Q706 HydrophobicContact CG2-CG 4.13Å; V412-Q706 WeakPolarHBondContact CG2-O 3.49Å; V412-I708 HydrophobicContact CG2-CG1 3.62Å
413L95.6Very high94.2Very high1 Ų151.8 Ų51.81%0.00525%0.247CC..BIsolated β-bridgetrans-65.6130.7177.3-76170.1000111.6V417 L529 G532 T533 M535 V551 V553L413-V417 HydrophobicContact CD1-CG2 4.18Å; L413-V417 HydrophobicContact CD2-CG2 4.22Å; L413-L529 HydrophobicContact CD1-CB 3.56Å; L413-L529 HydrophobicContact CD1-CD1 3.97Å; L413-L529 HydrophobicContact CD1-CG 4.35Å; L413-G532 PolarHBondContact O-N 2.7Å; L413-T533 PolarHBondContact N-O 3.42Å; L413-M535 HydrophobicContact CD1-CG 4.31Å; L413-M535 HydrophobicContact CD1-SD 4Å; L413-M535 HydrophobicContact CD2-CE 3.91Å; L413-M535 HydrophobicContact CD2-SD 3.78Å; L413-M535 HydrophobicContact CG-CE 4.02Å; L413-M535 HydrophobicContact CG-CG 4.14Å; L413-M535 HydrophobicContact CG-SD 3.67Å; L413-V551 HydrophobicContact CD2-CB 3.94Å; L413-V551 HydrophobicContact CD2-CG1 4.16Å; L413-V551 HydrophobicContact CD2-CG2 4.34Å; L413-V553 HydrophobicContact CD2-CG1 4.37Å
414A94.9Very high94.2Very high1 Ų150.9 Ų50.91%0.00824%0.243CC..SBendtrans-97-12.5174.800000113.1T400 V412 K531 E552T400-A414 HydrophobicContact CG2-CB 3.39Å; V412-A414 PolarHBondContact O-N 3.07Å; A414-K531 WeakPolarHBondContact O-CD 3.49Å; A414-K531 WeakPolarHBondContact O-CE 3.16Å; A414-K531 WeakPolarHBondContact O-CG 3.33Å; A414-K531 PolarHBondContact O-NZ 3.4Å; A414-E552 HydrophobicContact CB-CB 4.49Å; A414-E552 HydrophobicContact CB-CG 4.05Å; A414-E552 PolarHBondContact N-O 3.37Å
415Q93.6Very high94Very high63 Ų6352.1 Ų52.129%0.29425%0.254SS..SBendtrans-116.5162.5173.562168.5107.400111.3V417 K531 E552Q415-V417 HydrophobicContact CG-CG2 4.34Å; Q415-K531 WeakPolarHBondContact O-CA 3.21Å; Q415-K531 PolarHBondContact O-N 2.63Å; Q415-E552 HydrophobicContact CB-CB 4.31Å; Q415-E552 HydrophobicContact CG-CB 4.05Å
416D95.9Very high94Very high64 Ų6453.3 Ų53.334%0.34226%0.26SS..  trans-78.5150.3158.9-59.8-52.9000109.6Y418 A530 K531D416-Y418 HydrophobicContact CB-CE2 3.75Å; D416-A530 WeakPolarHBondContact OD1-CA 3.4Å; D416-K531 WeakPolarHBondContact OD1-CB 3.5Å; D416-K531 PolarHBondContact OD1-N 3.06Å
417V95.1Very high94Very high3 Ų348.1 Ų48.12%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-121.2125.3179.1-175.20000109.9L413 Q415 C527 V528 L529 L543 V546 V548 V551L413-V417 HydrophobicContact CD1-CG2 4.18Å; L413-V417 HydrophobicContact CD2-CG2 4.22Å; Q415-V417 HydrophobicContact CG-CG2 4.34Å; V417-C527 CarbonylContact O-C 3.51Å; V417-C527 WeakPolarHBondContact O-CA 3.13Å; V417-V528 HydrophobicContact CB-CG2 4.35Å; V417-V528 HydrophobicContact CG1-CG2 4.1Å; V417-V528 WeakPolarHBondContact O-CG2 3.32Å; V417-V528 PolarHBondContact O-N 3.25Å; V417-L529 HydrophobicContact CB-CB 4.27Å; V417-L529 PolarHBondContact N-O 2.83Å; V417-L529 PolarHBondContact O-N 2.94Å; V417-L543 HydrophobicContact CB-CD2 4.38Å; V417-L543 HydrophobicContact CG1-CD2 3.84Å; V417-L543 HydrophobicContact CG2-CD2 4.07Å; V417-V546 HydrophobicContact CG1-CG2 4.27Å; V417-V548 HydrophobicContact CG1-CB 4.21Å; V417-V548 HydrophobicContact CG1-CG1 4.1Å; V417-V548 HydrophobicContact CG1-CG2 4.03Å; V417-V551 HydrophobicContact CG2-CG1 4.39Å
418Y94.9Very high94Very high128 Ų12843.1 Ų43.150%0.50222%0.22SC..EExtended strand (participates in β ladder)trans-111.7142-175.6-61.6-89.2000111.9D416 K420 E526 C527D416-Y418 HydrophobicContact CB-CE2 3.75Å; Y418-K420 PolarHBondContact O-N 2.95Å; Y418-E526 CarbonylContact C-O 3.6Å; Y418-E526 VanDerWaalsContact CA-O 3.27Å; Y418-E526 WeakPolarHBondContact CA-O 3.44Å; Y418-C527 HydrophobicContact CD1-CB 3.93Å; Y418-C527 HydrophobicContact CE1-CB 3.7Å
419A95.6Very high94.2Very high2 Ų243.1 Ų43.12%0.01722%0.22CC..  trans-70.6118.1173.400000111.1I522 K523 G525 E526 V528 V546A419-I522 HydrophobicContact CB-CG2 3.44Å; A419-I522 VanDerWaalsContact CB-CG2 3.44Å; A419-K523 WeakPolarHBondContact CB-O 3.5Å; A419-G525 PolarHBondContact O-N 3.39Å; A419-E526 PolarHBondContact N-O 3.09Å; A419-V528 HydrophobicContact CB-CG1 3.99Å; A419-V546 HydrophobicContact CB-CG1 3.78Å
420K93.2Very high94.3Very high105 Ų10541.1 Ų41.146%0.45721%0.213SC..SBendtrans-74.8-26176.158.9177.5-166-160.20113.5Y418 R524 V546 G547Y418-K420 PolarHBondContact O-N 2.95Å; K420-R524 WeakPolarHBondContact O-CD 3.19Å; K420-R524 VanDerWaalsContact O-CG 3.31Å; K420-R524 WeakPolarHBondContact O-CG 3.13Å; K420-R524 PolarHBondContact O-NE 3.05Å; K420-V546 WeakPolarHBondContact CD-O 3.45Å; K420-V546 WeakPolarHBondContact CE-O 3.46Å; K420-V546 WeakPolarHBondContact CG-O 3.39Å; K420-G547 PolarHBondContact NZ-O 2.78Å
421D93.3Very high94.4Very high89 Ų8943 Ų4348%0.47622%0.216SC..SBendtrans-131.6169.4-175.3-65.3-53.5000110.3
422N94.8Very high94.5Very high55 Ų5545.4 Ų45.429%0.29423%0.231SC..  trans-87.3150.2175.2-67.6-47000111.2P424 P425 I518 I522 R524N422-P424 CarbonylContact O-C 3.5Å; N422-P425 WeakPolarHBondContact O-CA 3.48Å; N422-I518 HydrophobicContact CB-CG2 3.81Å; N422-I518 WeakPolarHBondContact ND2-CG2 3.34Å; N422-I522 CarbonylContact C-O 3.6Å; N422-I522 WeakPolarHBondContact CA-O 3.35Å; N422-R524 WeakPolarHBondContact OD1-CB 3.49Å; N422-R524 PolarHBondContact OD1-N 3.06Å
423L93.9Very high94.4Very high54 Ų5445.7 Ų45.728%0.28323%0.234SC..BIsolated β-bridgetrans-121.3123168.6-165.576000111.2G519 H520 D521 I522 T545L423-G519 CarbonylContact O-C 3.59Å; L423-G519 WeakPolarHBondContact O-CA 3.23Å; L423-H520 PolarHBondContact O-N 2.71Å; L423-D521 HydrophobicContact CB-CB 4.43Å; L423-D521 HydrophobicContact CD2-CB 4.13Å; L423-D521 HydrophobicContact CG-CB 4.41Å; L423-D521 PolarHBondContact O-N 2.87Å; L423-I522 HydrophobicContact CB-CB 3.81Å; L423-I522 HydrophobicContact CB-CD1 4.17Å; L423-I522 HydrophobicContact CB-CG1 4.01Å; L423-I522 HydrophobicContact CD2-CD1 3.82Å; L423-I522 HydrophobicContact CD2-CG1 4.1Å; L423-I522 PolarHBondContact N-O 3.41Å; L423-I522 PolarHBondContact O-N 3.32Å; L423-T545 HydrophobicContact CD1-CG2 3.93Å; L423-T545 HydrophobicContact CD2-CG2 3.6Å; L423-T545 HydrophobicContact CG-CG2 4.36Å
424P93.9Very high94.3Very high5 Ų545.9 Ų45.93%0.03224%0.235CC..SBendcis-63.2156.5-17.832.4-37000111.1N422 F426 A428 R516 P517 I518 G519 D521N422-P424 CarbonylContact O-C 3.5Å; P424-F426 VanDerWaalsContact CB-O 3.3Å; P424-F426 WeakPolarHBondContact CB-O 3.44Å; P424-F426 VanDerWaalsContact CG-O 3.29Å; P424-F426 WeakPolarHBondContact CG-O 3.26Å; P424-A428 HydrophobicContact CB-CB 4.01Å; P424-A428 HydrophobicContact CG-CB 4.11Å; P424-R516 HydrophobicContact CG-CB 3.93Å; P424-R516 WeakPolarHBondContact CG-O 3.34Å; P424-P517 WeakPolarHBondContact CD-O 3.28Å; P424-P517 WeakPolarHBondContact CG-O 3.4Å; P424-I518 WeakPolarHBondContact O-CA 3.47Å; P424-G519 PolarHBondContact O-N 2.76Å; P424-D521 WeakPolarHBondContact CD-OD2 3.3Å
425P93.5Very high94.3Very high74 Ų7445.8 Ų45.848%0.48123%0.234SC..SBendtrans-79.4-23.5-179.430.1-33.9000113.2N422N422-P425 WeakPolarHBondContact O-CA 3.48Å
426F93.4Very high94.3Very high63 Ų6343.1 Ų43.128%0.27622%0.222SC..SBendtrans-117.2161.8170.747.5-104.9000109.2P424 A428 P474P424-F426 VanDerWaalsContact CB-O 3.3Å; P424-F426 WeakPolarHBondContact CB-O 3.44Å; P424-F426 VanDerWaalsContact CG-O 3.29Å; P424-F426 WeakPolarHBondContact CG-O 3.26Å; F426-A428 HydrophobicContact CD2-CB 3.94Å; F426-A428 HydrophobicContact CE2-CB 3.74Å; F426-A428 PolarHBondContact O-N 2.83Å; F426-P474 HydrophobicContact CB-CB 4.26Å; F426-P474 HydrophobicContact CD1-CG 4.18Å; F426-P474 HydrophobicContact CD2-CB 3.59Å; F426-P474 HydrophobicContact CD2-CG 3.75Å; F426-P474 HydrophobicContact CE1-CG 4.16Å; F426-P474 HydrophobicContact CE2-CB 4.01Å; F426-P474 HydrophobicContact CE2-CG 3.71Å; F426-P474 HydrophobicContact CG-CB 3.88Å; F426-P474 HydrophobicContact CG-CG 4Å; F426-P474 HydrophobicContact CZ-CG 3.92Å
427P94.4Very high94.3Very high47 Ų4743.5 Ų43.531%0.30522%0.219SC..  trans-65.5122.8169.2-7.623.7000108.1P474 I475 I515 R516 I518P427-P474 CarbonylContact O-C 3.52Å; P427-P474 WeakPolarHBondContact O-CA 3.28Å; P427-I475 HydrophobicContact CB-CB 4.29Å; P427-I475 HydrophobicContact CB-CG1 4.36Å; P427-I475 PolarHBondContact O-N 2.89Å; P427-I515 HydrophobicContact CB-CG2 4.09Å; P427-R516 CarbonylContact C-O 3.4Å; P427-R516 WeakPolarHBondContact CA-O 3.43Å; P427-I518 HydrophobicContact CG-CD1 4.34Å; P427-I518 HydrophobicContact CG-CG1 4.02Å
428A94.9Very high94.1Very high2 Ų243.6 Ų43.62%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-117.2142.1-170.300000111.9P424 F426 A473 I515 R516P424-A428 HydrophobicContact CB-CB 4.01Å; P424-A428 HydrophobicContact CG-CB 4.11Å; F426-A428 HydrophobicContact CD2-CB 3.94Å; F426-A428 HydrophobicContact CE2-CB 3.74Å; F426-A428 PolarHBondContact O-N 2.83Å; A428-A473 WeakPolarHBondContact CA-O 3.21Å; A428-I515 WeakPolarHBondContact O-CA 3.49Å; A428-R516 PolarHBondContact N-O 3.37Å; A428-R516 PolarHBondContact O-N 2.94Å
429S95.5Very high94Very high0 Ų041.7 Ų41.70%023%0.231CC..EExtended strand (participates in β ladder)trans-67.1141.5174.4-165.60000112K431 G472 A473S429-K431 PolarHBondContact OG-N 2.89Å; S429-K431 PolarHBondContact OG-O 3.3Å; S429-G472 WeakPolarHBondContact O-CA 3.34Å; S429-G472 PolarHBondContact O-N 3.44Å; S429-A473 PolarHBondContact N-O 3.29Å
430V95.1Very high93.6Very high62 Ų6243.7 Ų43.738%0.37624%0.241SC..SBendtrans-91-19171.6-179.70000111.7D514 R516V430-D514 HydrophobicContact CB-CB 4.36Å; V430-D514 WeakPolarHBondContact CB-O 3.19Å; V430-D514 WeakPolarHBondContact CG2-O 3.27Å; V430-D514 PolarHBondContact N-O 2.65Å; V430-R516 HydrophobicContact CG2-CG 3.89Å
431K92.9Very high93.4Very high59 Ų5939.2 Ų39.226%0.25723%0.225SC..SBendtrans-133.4159.6-176.8-70.4-56.7-139.179.50112.7S429 T471 Q484 E486 D514S429-K431 PolarHBondContact OG-N 2.89Å; S429-K431 PolarHBondContact OG-O 3.3Å; K431-T471 WeakPolarHBondContact CA-OG1 3.36Å; K431-Q484 HydrophobicContact CB-CB 4.13Å; K431-Q484 HydrophobicContact CG-CB 4.15Å; K431-E486 IonicContact NZ-OE1 2.83Å; K431-E486 IonicContact NZ-OE2 2.6Å; K431-D514 HydrophobicContact CG-CB 4.48Å
432D93.9Very high93.4Very high75 Ų7538 Ų3840%0.40122%0.222SC..SBendtrans-80.2135.3162.4-57.2-80.9000109.5V469 T470 T471 Q484 V485D432-V469 WeakPolarHBondContact CA-O 3.36Å; D432-T470 WeakPolarHBondContact OD1-CA 3.31Å; D432-T470 WeakPolarHBondContact OD1-CB 3.41Å; D432-T471 VanDerWaalsContact CG-OG1 3.25Å; D432-T471 PolarHBondContact N-OG1 3.38Å; D432-T471 VanDerWaalsContact N-OG1 3.11Å; D432-T471 PolarHBondContact OD1-N 3Å; D432-T471 WeakPolarHBondContact OD2-CB 3.43Å; D432-T471 PolarHBondContact OD2-OG1 3.23Å; D432-Q484 WeakPolarHBondContact O-CA 3.37Å; D432-V485 PolarHBondContact O-N 2.9Å
433G93.4Very high93.2Very high7 Ų736.3 Ų36.37%0.07222%0.217CC..EExtended strand (participates in β ladder)trans154.4-131.8-173.400000112R468 V469 V483G433-R468 CarbonylContact O-C 3.5Å; G433-R468 WeakPolarHBondContact O-CA 3.47Å; G433-V469 PolarHBondContact N-O 2.83Å; G433-V469 PolarHBondContact O-N 3.44Å; G433-V483 WeakPolarHBondContact CA-O 3.18Å
434Y94.3Very high93.2Very high5 Ų537.6 Ų37.62%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-132.3130.4-171.8-58.8-89.5000112.1V436 I447 V466 M467 R468 V482 V483 T488 E500 V503Y434-V436 PolarHBondContact O-N 3.39Å; Y434-I447 HydrophobicContact CD1-CG1 4.36Å; Y434-I447 HydrophobicContact CE1-CD1 3.61Å; Y434-I447 HydrophobicContact CE1-CG1 3.93Å; Y434-V466 HydrophobicContact CD1-CG2 4.1Å; Y434-M467 CarbonylContact C-O 3.6Å; Y434-M467 WeakPolarHBondContact CA-O 3.48Å; Y434-R468 HydrophobicContact CD1-CB 4.29Å; Y434-R468 HydrophobicContact CE1-CB 4.21Å; Y434-V482 WeakPolarHBondContact O-CA 3.46Å; Y434-V483 PolarHBondContact N-O 3.16Å; Y434-V483 PolarHBondContact O-N 3.48Å; Y434-T488 HydrophobicContact CD2-CG2 3.79Å; Y434-T488 HydrophobicContact CE2-CG2 4.06Å; Y434-T488 WeakPolarHBondContact CE2-OG1 3.33Å; Y434-E500 PolarHBondContact OH-OE2 3.45Å; Y434-V503 HydrophobicContact CD1-CG1 4.09Å; Y434-V503 HydrophobicContact CD2-CG2 4.42Å; Y434-V503 HydrophobicContact CE1-CB 4.33Å; Y434-V503 HydrophobicContact CE1-CG1 3.93Å; Y434-V503 HydrophobicContact CE1-CG2 4.44Å; Y434-V503 HydrophobicContact CE2-CG2 3.84Å; Y434-V503 HydrophobicContact CG-CG1 4.46Å
435A95.1Very high93.1Very high0 Ų038.9 Ų38.90%023%0.229CC..EExtended strand (participates in β ladder)trans-76119.8165.400000109.2V466 M467 V469 I475 P476 A479A435-V466 WeakPolarHBondContact O-CA 3.47Å; A435-M467 PolarHBondContact N-O 3.01Å; A435-M467 PolarHBondContact O-N 3.24Å; A435-V469 HydrophobicContact CB-CG1 3.57Å; A435-V469 HydrophobicContact CB-CG2 4.46Å; A435-I475 HydrophobicContact CB-CG2 4.39Å; A435-P476 HydrophobicContact CB-CG 4.05Å; A435-A479 HydrophobicContact CB-CB 3.93Å
436V93.8Very high93.1Very high7 Ų741 Ų414%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-122.4171.5-173.8-48.90000111.3Y434 V466 A479 D480 A481 V483 I505 A509Y434-V436 PolarHBondContact O-N 3.39Å; V436-V466 HydrophobicContact CB-CG1 4.15Å; V436-V466 HydrophobicContact CG1-CB 4.47Å; V436-V466 HydrophobicContact CG1-CG1 3.69Å; V436-A479 WeakPolarHBondContact O-CA 3.32Å; V436-A479 WeakPolarHBondContact O-CB 3.13Å; V436-D480 PolarHBondContact O-N 3.45Å; V436-A481 HydrophobicContact CG2-CB 4.03Å; V436-A481 PolarHBondContact N-O 3.07Å; V436-A481 PolarHBondContact O-N 3.01Å; V436-V483 HydrophobicContact CG1-CB 4.33Å; V436-V483 HydrophobicContact CG1-CG2 3.98Å; V436-V483 HydrophobicContact CG2-CG2 3.86Å; V436-I505 HydrophobicContact CG1-CD1 4.02Å; V436-I505 HydrophobicContact CG1-CG1 4.34Å; V436-A509 HydrophobicContact CG2-CB 3.91Å
437R94.8Very high93.1Very high71 Ų7139.1 Ų39.127%0.26822%0.223SC..  trans-103.4112166.2-44.3-173.171.4-108.60.2107.6A439 D440 V461 M462 G478 D480R437-A439 PolarHBondContact O-N 3.25Å; R437-A439 VanDerWaalsContact O-N 3.13Å; R437-D440 HydrophobicContact CB-CB 4.42Å; R437-D440 IonicContact NH1-OD1 3.52Å; R437-D440 PolarHBondContact NH1-OD1 3.47Å; R437-D440 VanDerWaalsContact NH1-OD1 3.07Å; R437-D440 WeakPolarHBondContact O-CB 3.46Å; R437-D440 PolarHBondContact O-N 3.14Å; R437-V461 HydrophobicContact CG-CG1 3.91Å; R437-M462 WeakPolarHBondContact CD-O 3.47Å; R437-G478 PolarHBondContact NE-O 3.49Å; R437-D480 WeakPolarHBondContact CA-OD1 3.25Å
438A91.6Very high92.9Very high5 Ų538.8 Ų38.84%0.04122%0.218CC..G310 helixtrans-58.1-29.3-177.200000112.5D440 G441 D480 A481 Q508 A509 P511A438-D440 VanDerWaalsContact C-N 3.25Å; A438-D440 PolarHBondContact O-N 3.02Å; A438-G441 PolarHBondContact O-N 3.02Å; A438-D480 PolarHBondContact N-OD1 3.3Å; A438-A481 HydrophobicContact CB-CB 4.15Å; A438-Q508 PolarHBondContact O-NE2 3.14Å; A438-A509 HydrophobicContact CB-CB 4.41Å; A438-P511 HydrophobicContact CB-CG 3.94Å
439A91.7Very high92.6Very high89 Ų8940.4 Ų40.474%0.73624%0.235SC*.G310 helixtrans-65.1-21.8174.100000114.6R437R437-A439 PolarHBondContact O-N 3.25Å; R437-A439 VanDerWaalsContact O-N 3.13Å
440D89.1Confident92.4Very high44 Ų4443.6 Ų43.624%0.23525%0.25CC..G310 helixtrans-83.6-21.4-179.8-61.27.9000111.6R437 A438 R445 P463 G464R437-D440 HydrophobicContact CB-CB 4.42Å; R437-D440 IonicContact NH1-OD1 3.52Å; R437-D440 PolarHBondContact NH1-OD1 3.47Å; R437-D440 VanDerWaalsContact NH1-OD1 3.07Å; R437-D440 WeakPolarHBondContact O-CB 3.46Å; R437-D440 PolarHBondContact O-N 3.14Å; A438-D440 VanDerWaalsContact C-N 3.25Å; A438-D440 PolarHBondContact O-N 3.02Å; D440-R445 PolarHBondContact O-NH2 2.69Å; D440-P463 VanDerWaalsContact OD2-CA 3.3Å; D440-P463 WeakPolarHBondContact OD2-CA 3.45Å; D440-G464 PolarHBondContact OD2-N 3.44Å
441G88.7Confident92.2Very high11 Ų1140.8 Ų40.811%0.11323%0.233CC..  trans66.3-164.2175.900000115.5A438 R445 Q508A438-G441 PolarHBondContact O-N 3.02Å; G441-R445 PolarHBondContact O-NH2 2.88Å; G441-Q508 VanDerWaalsContact CA-OE1 3.27Å
442P92.4Very high92.1Very high64 Ų6443.1 Ų43.142%0.41625%0.245SC..SBendtrans-64.1164.8178.2-22.533.6000114.8R445 I505 Q508P442-R445 PolarHBondContact O-NH2 3.44Å; P442-I505 CarbonylContact C-O 3.59Å; P442-I505 WeakPolarHBondContact CA-O 3.38Å; P442-I505 WeakPolarHBondContact CB-O 3.45Å; P442-Q508 HydrophobicContact CG-CB 4.23Å
443G91.4Very high91.8Very high19 Ų1942.9 Ų42.920%0.19625%0.253CS..EExtended strand (participates in β ladder)trans110.6-169.4174.400000114R445 I505G443-R445 VanDerWaalsContact C-NH1 3.3Å; G443-I505 PolarHBondContact N-O 2.92Å; G443-I505 PolarHBondContact O-N 3.32Å
444D93.5Very high91.4Very high80 Ų8046.1 Ų46.143%0.42829%0.286SS..EExtended strand (participates in β ladder)trans-84.9132.7-161.7-53.88.5000110.6L491 V503 R504D444-L491 HydrophobicContact CB-CD1 3.72Å; D444-L491 VanDerWaalsContact OD2-CD1 3.32Å; D444-L491 WeakPolarHBondContact OD2-CD1 3.27Å; D444-V503 CarbonylContact C-O 3.6Å; D444-R504 WeakPolarHBondContact OD1-CG 3.14Å; D444-R504 IonicContact OD1-CZ 2.7Å; D444-R504 IonicContact OD1-NE 2.81Å; D444-R504 PolarHBondContact OD1-NE 3.03Å; D444-R504 IonicContact OD1-NH2 2.71Å; D444-R504 PolarHBondContact OD1-NH2 3.05Å; D444-R504 IonicContact OD2-CZ 3.55Å; D444-R504 IonicContact OD2-NE 2.74Å; D444-R504 IonicContact OD2-NH2 3.4Å; D444-R504 PolarHBondContact OD2-NH2 2.92Å
445R92.3Very high91.1Very high33 Ų3352.9 Ų52.913%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-137146.7-170.4-58.9-66.7174.9-87.7-6.4111.7D440 G441 P442 G443 G464 V466 E502 V503 I505D440-R445 PolarHBondContact O-NH2 2.69Å; G441-R445 PolarHBondContact O-NH2 2.88Å; P442-R445 PolarHBondContact O-NH2 3.44Å; G443-R445 VanDerWaalsContact C-NH1 3.3Å; R445-G464 WeakPolarHBondContact CD-O 3.3Å; R445-V466 HydrophobicContact CB-CB 4.44Å; R445-V466 HydrophobicContact CB-CG1 3.75Å; R445-V466 HydrophobicContact CB-CG2 3.9Å; R445-V466 HydrophobicContact CG-CG1 3.84Å; R445-E502 WeakPolarHBondContact O-CA 3.28Å; R445-V503 PolarHBondContact N-O 3.19Å; R445-V503 PolarHBondContact O-N 2.8Å; R445-I505 HydrophobicContact CG-CG1 4Å
446F92.9Very high90.7Very high119 Ų11958.3 Ų58.352%0.52234%0.344SS..EExtended strand (participates in β ladder)trans-83.3131173.9-57.3-82.6000110.7G464 Q465 V466 E502F446-G464 PolarHBondContact N-O 2.94Å; F446-Q465 CarbonylContact O-C 3.58Å; F446-Q465 WeakPolarHBondContact O-CA 3.23Å; F446-V466 PolarHBondContact O-N 3.33Å; F446-E502 HydrophobicContact CD1-CG 3.83Å; F446-E502 WeakPolarHBondContact CD1-OE1 3.44Å; F446-E502 HydrophobicContact CE1-CG 4.19Å; F446-E502 WeakPolarHBondContact CE1-OE1 3.1Å
447I92.9Very high90.4Very high22 Ų2258.9 Ų58.911%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-84.2123.4173.4-63162.8000108.1Y434 V466 E500 L501 V503Y434-I447 HydrophobicContact CD1-CG1 4.36Å; Y434-I447 HydrophobicContact CE1-CD1 3.61Å; Y434-I447 HydrophobicContact CE1-CG1 3.93Å; I447-V466 WeakPolarHBondContact CA-O 3.46Å; I447-V466 HydrophobicContact CG1-CG2 3.87Å; I447-E500 WeakPolarHBondContact CB-O 3.42Å; I447-E500 HydrophobicContact CD1-CB 3.44Å; I447-E500 VanDerWaalsContact CD1-CB 3.44Å; I447-E500 WeakPolarHBondContact CG2-O 3.22Å; I447-L501 PolarHBondContact N-O 3.24Å; I447-V503 HydrophobicContact CD1-CB 4.02Å; I447-V503 HydrophobicContact CD1-CG1 3.93Å; I447-V503 HydrophobicContact CG1-CB 4.45Å; I447-V503 HydrophobicContact CG1-CG1 3.83Å
448I91.3Very high90.1Very high41 Ų4161.5 Ų61.521%0.2137%0.372CS..EExtended strand (participates in β ladder)trans-99.215-17864.5165.6000114H459 V461 Q465 V466 M467I448-H459 HydrophobicContact CD1-CB 4.22Å; I448-V461 HydrophobicContact CD1-CG2 4.12Å; I448-Q465 HydrophobicContact CG2-CB 3.84Å; I448-Q465 HydrophobicContact CG2-CG 3.78Å; I448-V466 WeakPolarHBondContact CG1-O 3.44Å; I448-V466 PolarHBondContact N-O 2.89Å; I448-M467 HydrophobicContact CD1-CE 4.49Å; I448-M467 HydrophobicContact CG1-CB 4.33Å; I448-M467 HydrophobicContact CG1-CE 4.21Å
449G88.7Confident89.9Confident35 Ų3566.6 Ų66.636%0.36139%0.394SS..EExtended strand (participates in β ladder)trans123.5-168.8-175.700000112.7M467 R468G449-M467 WeakPolarHBondContact O-CG 3.45Å; G449-R468 PolarHBondContact O-N 2.65Å
450E90.8Very high89.9Confident68 Ų6865.8 Ų65.832%0.31838%0.38SS..EExtended strand (participates in β ladder)trans-120.4147.3-178.1-174.6175.8-138.600111.5Q452 R468E450-Q452 HydrophobicContact CG-CG 3.9Å; E450-Q452 WeakPolarHBondContact OE2-CG 3.26Å; E450-Q452 PolarHBondContact OE2-NE2 3.33Å; E450-R468 CarbonylContact C-O 3.56Å; E450-R468 WeakPolarHBondContact CA-O 3.32Å; E450-R468 HydrophobicContact CB-CB 4.18Å; E450-R468 HydrophobicContact CB-CG 4.45Å; E450-R468 HydrophobicContact CG-CB 4.13Å; E450-R468 HydrophobicContact CG-CG 3.96Å; E450-R468 WeakPolarHBondContact OE1-CD 3.24Å; E450-R468 IonicContact OE1-CZ 3.6Å; E450-R468 IonicContact OE1-NE 3.11Å; E450-R468 PolarHBondContact OE1-NE 3.45Å; E450-R468 IonicContact OE1-NH2 2.89Å
451S91.7Very high90.1Very high3 Ų363.8 Ų63.82%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-107.2117.4163.4-168.70000109.1P457 R468 T470 A473 P474S451-P457 WeakPolarHBondContact OG-CD 3.44Å; S451-P457 WeakPolarHBondContact OG-CG 3.46Å; S451-R468 PolarHBondContact N-O 3.39Å; S451-T470 PolarHBondContact O-N 3.22Å; S451-T470 PolarHBondContact O-OG1 3.13Å; S451-A473 WeakPolarHBondContact O-CB 3.26Å; S451-P474 WeakPolarHBondContact CB-O 3.26Å; S451-P474 PolarHBondContact OG-O 3Å
452Q89.1Confident90.3Very high107 Ų10768.2 Ų68.250%0.539%0.389SS..  trans-104150.5-178.7-64-173.52.800111.5E450 G454 E455E450-Q452 HydrophobicContact CG-CG 3.9Å; E450-Q452 WeakPolarHBondContact OE2-CG 3.26Å; E450-Q452 PolarHBondContact OE2-NE2 3.33Å; Q452-G454 PolarHBondContact O-N 3.34Å; Q452-E455 PolarHBondContact O-N 3.36Å
453A87.3Confident90.3Very high70 Ų7069.5 Ų69.558%0.57940%0.397SS*.THydrogen-bonded Turntrans-65.7100.1178.300000111.9
454G85.3Confident90.1Very high75 Ų7569.9 Ų69.977%0.77340%0.401SS*.THydrogen-bonded Turntrans136.2-22.6178.200000113.8Q452Q452-G454 PolarHBondContact O-N 3.34Å
455E88.3Confident90Very high148 Ų14868.8 Ų68.869%0.69239%0.393SS*.SBendtrans-110.5143.5178.7-59.5-159.1162.400111.5Q452 P457 P474Q452-E455 PolarHBondContact O-N 3.36Å; E455-P457 WeakPolarHBondContact O-CD 3.36Å; E455-P474 WeakPolarHBondContact O-CG 3.43Å
456Q86.9Confident90.1Very high113 Ų11367.3 Ų67.353%0.52839%0.388SS..  trans-89.2115.9176.7176.560.458.200109.2T458Q456-T458 PolarHBondContact O-N 2.79Å
457P88.4Confident90.2Very high19 Ų1961.8 Ų61.812%0.12336%0.364CS..  trans-60130178.923.5-34.7000111.3S451 E455 M467 P474 P476S451-P457 WeakPolarHBondContact OG-CD 3.44Å; S451-P457 WeakPolarHBondContact OG-CG 3.46Å; E455-P457 WeakPolarHBondContact O-CD 3.36Å; P457-M467 HydrophobicContact CB-SD 3.92Å; P457-P474 HydrophobicContact CG-CB 4.4Å; P457-P476 HydrophobicContact CB-CB 4.09Å; P457-P476 HydrophobicContact CG-CB 4.06Å
458T88.1Confident90.3Very high126 Ų12665.1 Ų65.177%0.77338%0.375SS*.  trans-90.4-22.9179.951.60000112.9Q456Q456-T458 PolarHBondContact O-N 2.79Å
459H87.3Confident90.4Very high112 Ų11263.2 Ų63.252%0.51937%0.365SS..  trans-81.4154.1-180-63.5-99.2000111.6I448 M467I448-H459 HydrophobicContact CD1-CB 4.22Å; H459-M467 HydrophobicContact CB-CE 4Å
460T92.3Very high90.6Very high72 Ų7263.3 Ų63.344%0.44236%0.358SS..BIsolated β-bridgetrans-114.2129.7176.7-63.80000109M462 C477T460-M462 HydrophobicContact CG2-SD 4.28Å; T460-M462 PolarHBondContact O-N 2.68Å; T460-C477 CarbonylContact C-O 3.51Å; T460-C477 VanDerWaalsContact CA-O 3.3Å; T460-C477 WeakPolarHBondContact CA-O 3.31Å; T460-C477 HydrophobicContact CG2-CB 4.17Å; T460-C477 WeakPolarHBondContact CG2-O 3.37Å
461V92.7Very high90.7Very high2 Ų263.4 Ų63.41%0.01236%0.364CS..  trans-76.7112.9179.1-179.90000109.5R437 I448 Q465 M467 P476 C477 A479R437-V461 HydrophobicContact CG-CG1 3.91Å; I448-V461 HydrophobicContact CD1-CG2 4.12Å; V461-Q465 HydrophobicContact CG1-CB 4.28Å; V461-Q465 WeakPolarHBondContact CG1-O 3.4Å; V461-M467 HydrophobicContact CG2-CB 4Å; V461-P476 HydrophobicContact CG2-CB 4.05Å; V461-P476 HydrophobicContact CG2-CG 3.51Å; V461-C477 PolarHBondContact N-O 3.32Å; V461-A479 HydrophobicContact CB-CB 4.28Å; V461-A479 HydrophobicContact CG2-CB 4.25Å
462M92.9Very high90.7Very high105 Ų10564.5 Ų64.552%0.51738%0.375SS..  trans-90.6168.9176.9-56.5-63.7-69.900111.1R437 T460 G464 Q465R437-M462 WeakPolarHBondContact CD-O 3.47Å; T460-M462 HydrophobicContact CG2-SD 4.28Å; T460-M462 PolarHBondContact O-N 2.68Å; M462-G464 PolarHBondContact O-N 2.91Å; M462-Q465 HydrophobicContact CB-CG 4.49Å; M462-Q465 VanDerWaalsContact CB-OE1 3.26Å; M462-Q465 VanDerWaalsContact N-OE1 3.16Å; M462-Q465 WeakPolarHBondContact O-CB 3.49Å; M462-Q465 PolarHBondContact O-N 3.31Å; M462-Q465 VanDerWaalsContact O-N 3.09Å
463P91.8Very high91Very high91 Ų9159.4 Ų59.459%0.59135%0.352SS*.THydrogen-bonded Turntrans-57133.8176.2-22.833.4000112.4D440 Q465D440-P463 VanDerWaalsContact OD2-CA 3.3Å; D440-P463 WeakPolarHBondContact OD2-CA 3.45Å; P463-Q465 VanDerWaalsContact C-N 3.28Å
464G87.4Confident91.3Very high26 Ų2656.1 Ų56.127%0.26833%0.325SS..THydrogen-bonded Turntrans810.3-176.500000115.1D440 R445 F446 M462D440-G464 PolarHBondContact OD2-N 3.44Å; R445-G464 WeakPolarHBondContact CD-O 3.3Å; F446-G464 PolarHBondContact N-O 2.94Å; M462-G464 PolarHBondContact O-N 2.91Å
465Q92.8Very high91.8Very high58 Ų5853.2 Ų53.227%0.27129%0.291SS..EExtended strand (participates in β ladder)trans-107.6156.6175.6-62.3178.1-22.700111.1F446 I448 V461 M462 P463F446-Q465 CarbonylContact O-C 3.58Å; F446-Q465 WeakPolarHBondContact O-CA 3.23Å; I448-Q465 HydrophobicContact CG2-CB 3.84Å; I448-Q465 HydrophobicContact CG2-CG 3.78Å; V461-Q465 HydrophobicContact CG1-CB 4.28Å; V461-Q465 WeakPolarHBondContact CG1-O 3.4Å; M462-Q465 HydrophobicContact CB-CG 4.49Å; M462-Q465 VanDerWaalsContact CB-OE1 3.26Å; M462-Q465 VanDerWaalsContact N-OE1 3.16Å; M462-Q465 WeakPolarHBondContact O-CB 3.49Å; M462-Q465 PolarHBondContact O-N 3.31Å; M462-Q465 VanDerWaalsContact O-N 3.09Å; P463-Q465 VanDerWaalsContact C-N 3.28Å
466V93.9Very high92Very high1 Ų146.3 Ų46.31%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-138.7160.7170.1-62.80000109.7Y434 A435 V436 R445 F446 I447 I448 V503Y434-V466 HydrophobicContact CD1-CG2 4.1Å; A435-V466 WeakPolarHBondContact O-CA 3.47Å; V436-V466 HydrophobicContact CB-CG1 4.15Å; V436-V466 HydrophobicContact CG1-CB 4.47Å; V436-V466 HydrophobicContact CG1-CG1 3.69Å; R445-V466 HydrophobicContact CB-CB 4.44Å; R445-V466 HydrophobicContact CB-CG1 3.75Å; R445-V466 HydrophobicContact CB-CG2 3.9Å; R445-V466 HydrophobicContact CG-CG1 3.84Å; F446-V466 PolarHBondContact O-N 3.33Å; I447-V466 WeakPolarHBondContact CA-O 3.46Å; I447-V466 HydrophobicContact CG1-CG2 3.87Å; I448-V466 WeakPolarHBondContact CG1-O 3.44Å; I448-V466 PolarHBondContact N-O 2.89Å; V466-V503 HydrophobicContact CG2-CG1 3.68Å
467M94.1Very high92.2Very high4 Ų444.8 Ų44.82%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-123.6133.1172.3170.2164.8-81.100108.6Y434 A435 I448 G449 P457 H459 V461 P476Y434-M467 CarbonylContact C-O 3.6Å; Y434-M467 WeakPolarHBondContact CA-O 3.48Å; A435-M467 PolarHBondContact N-O 3.01Å; A435-M467 PolarHBondContact O-N 3.24Å; I448-M467 HydrophobicContact CD1-CE 4.49Å; I448-M467 HydrophobicContact CG1-CB 4.33Å; I448-M467 HydrophobicContact CG1-CE 4.21Å; G449-M467 WeakPolarHBondContact O-CG 3.45Å; P457-M467 HydrophobicContact CB-SD 3.92Å; H459-M467 HydrophobicContact CB-CE 4Å; V461-M467 HydrophobicContact CG2-CB 4Å; M467-P476 HydrophobicContact CB-CG 3.99Å; M467-P476 HydrophobicContact CG-CG 4.21Å; M467-P476 HydrophobicContact SD-CB 3.7Å; M467-P476 HydrophobicContact SD-CG 3.67Å
468R94.4Very high92.3Very high92 Ų9245.7 Ų45.735%0.34727%0.273SS..EExtended strand (participates in β ladder)trans-63.1135.7172.6178.5-175.9166.9114.2-6.4108.9G433 Y434 G449 E450 S451 E500G433-R468 CarbonylContact O-C 3.5Å; G433-R468 WeakPolarHBondContact O-CA 3.47Å; Y434-R468 HydrophobicContact CD1-CB 4.29Å; Y434-R468 HydrophobicContact CE1-CB 4.21Å; G449-R468 PolarHBondContact O-N 2.65Å; E450-R468 CarbonylContact C-O 3.56Å; E450-R468 WeakPolarHBondContact CA-O 3.32Å; E450-R468 HydrophobicContact CB-CB 4.18Å; E450-R468 HydrophobicContact CB-CG 4.45Å; E450-R468 HydrophobicContact CG-CB 4.13Å; E450-R468 HydrophobicContact CG-CG 3.96Å; E450-R468 WeakPolarHBondContact OE1-CD 3.24Å; E450-R468 IonicContact OE1-CZ 3.6Å; E450-R468 IonicContact OE1-NE 3.11Å; E450-R468 PolarHBondContact OE1-NE 3.45Å; E450-R468 IonicContact OE1-NH2 2.89Å; S451-R468 PolarHBondContact N-O 3.39Å; R468-E500 WeakPolarHBondContact CD-OE2 3.41Å; R468-E500 IonicContact CZ-OE2 2.73Å; R468-E500 IonicContact NE-OE2 3.43Å; R468-E500 IonicContact NH1-OE1 3.6Å; R468-E500 PolarHBondContact NH1-OE1 2.98Å; R468-E500 IonicContact NH1-OE2 3.79Å; R468-E500 PolarHBondContact NH1-OE2 3.38Å
469V94.8Very high92.5Very high1 Ų140.5 Ų40.51%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-134.3140.9178.8-60.70000110.6D432 G433 A435 V482D432-V469 WeakPolarHBondContact CA-O 3.36Å; G433-V469 PolarHBondContact N-O 2.83Å; G433-V469 PolarHBondContact O-N 3.44Å; A435-V469 HydrophobicContact CB-CG1 3.57Å; A435-V469 HydrophobicContact CB-CG2 4.46Å; V469-V482 HydrophobicContact CG2-CG1 4.06Å; V469-V482 HydrophobicContact CG2-CG2 4.08Å
470T93.3Very high92.8Very high36 Ų3638 Ų3822%0.22123%0.233CC..  trans-98.4158.5172.6440000111.4D432 S451 G472 A473D432-T470 WeakPolarHBondContact OD1-CA 3.31Å; D432-T470 WeakPolarHBondContact OD1-CB 3.41Å; S451-T470 PolarHBondContact O-N 3.22Å; S451-T470 PolarHBondContact O-OG1 3.13Å; T470-G472 PolarHBondContact O-N 3.11Å; T470-A473 WeakPolarHBondContact O-CB 3.35Å; T470-A473 PolarHBondContact O-N 3.4Å
471T92.8Very high92.9Very high70 Ų7034.6 Ų34.643%0.42921%0.212SC..THydrogen-bonded Turntrans-57122.1179-70.90000110.4K431 D432K431-T471 WeakPolarHBondContact CA-OG1 3.36Å; D432-T471 VanDerWaalsContact CG-OG1 3.25Å; D432-T471 PolarHBondContact N-OG1 3.38Å; D432-T471 VanDerWaalsContact N-OG1 3.11Å; D432-T471 PolarHBondContact OD1-N 3Å; D432-T471 WeakPolarHBondContact OD2-CB 3.43Å; D432-T471 PolarHBondContact OD2-OG1 3.23Å
472G91.4Very high93.1Very high26 Ų2634.5 Ų34.527%0.26821%0.212SC..THydrogen-bonded Turntrans84.4-5.2-17600000115.9S429 T470S429-G472 WeakPolarHBondContact O-CA 3.34Å; S429-G472 PolarHBondContact O-N 3.44Å; T470-G472 PolarHBondContact O-N 3.11Å
473A94.1Very high93.2Very high0 Ų029.6 Ų29.60%019%0.187CC..PPolyproline II helixtrans-68.4153.3173.500000112.2A428 S429 S451 T470A428-A473 WeakPolarHBondContact CA-O 3.21Å; S429-A473 PolarHBondContact N-O 3.29Å; S451-A473 WeakPolarHBondContact O-CB 3.26Å; T470-A473 WeakPolarHBondContact O-CB 3.35Å; T470-A473 PolarHBondContact O-N 3.4Å
474P95Very high93.3Very high2 Ų227.5 Ų27.51%0.01317%0.17CC..BIsolated β-bridgetrans-70.4140.7176.5-13.628.5000111.8F426 P427 S451 E455 P457F426-P474 HydrophobicContact CB-CB 4.26Å; F426-P474 HydrophobicContact CD1-CG 4.18Å; F426-P474 HydrophobicContact CD2-CB 3.59Å; F426-P474 HydrophobicContact CD2-CG 3.75Å; F426-P474 HydrophobicContact CE1-CG 4.16Å; F426-P474 HydrophobicContact CE2-CB 4.01Å; F426-P474 HydrophobicContact CE2-CG 3.71Å; F426-P474 HydrophobicContact CG-CB 3.88Å; F426-P474 HydrophobicContact CG-CG 4Å; F426-P474 HydrophobicContact CZ-CG 3.92Å; P427-P474 CarbonylContact O-C 3.52Å; P427-P474 WeakPolarHBondContact O-CA 3.28Å; S451-P474 WeakPolarHBondContact CB-O 3.26Å; S451-P474 PolarHBondContact OG-O 3Å; E455-P474 WeakPolarHBondContact O-CG 3.43Å; P457-P474 HydrophobicContact CG-CB 4.4Å
475I94.3Very high93.6Very high13 Ų1329.8 Ų29.87%0.06718%0.178CC..PPolyproline II helixtrans-75.5130.9173.5-54.9-57.2000109.4P427 A435 A479 V482 I515P427-I475 HydrophobicContact CB-CB 4.29Å; P427-I475 HydrophobicContact CB-CG1 4.36Å; P427-I475 PolarHBondContact O-N 2.89Å; A435-I475 HydrophobicContact CB-CG2 4.39Å; I475-A479 HydrophobicContact CG2-CB 4Å; I475-V482 HydrophobicContact CD1-CG2 3.52Å; I475-I515 HydrophobicContact CD1-CD1 4.29Å; I475-I515 HydrophobicContact CD1-CG1 3.98Å; I475-I515 HydrophobicContact CG1-CD1 3.99Å; I475-I515 HydrophobicContact CG1-CG1 3.88Å; I475-I515 HydrophobicContact CG1-CG2 3.98Å; I475-I515 HydrophobicContact CG2-CD1 4.1Å
476P93.4Very high93.7Very high4 Ų432.8 Ų32.83%0.02619%0.193CC..PPolyproline II helixtrans-67.4158.1176.430-38.4000112.4A435 P457 V461 M467 A479A435-P476 HydrophobicContact CB-CG 4.05Å; P457-P476 HydrophobicContact CB-CB 4.09Å; P457-P476 HydrophobicContact CG-CB 4.06Å; V461-P476 HydrophobicContact CG2-CB 4.05Å; V461-P476 HydrophobicContact CG2-CG 3.51Å; M467-P476 HydrophobicContact CB-CG 3.99Å; M467-P476 HydrophobicContact CG-CG 4.21Å; M467-P476 HydrophobicContact SD-CB 3.7Å; M467-P476 HydrophobicContact SD-CG 3.67Å; P476-A479 HydrophobicContact CG-CB 4.26Å
477C91.8Very high93.7Very high81 Ų8134.9 Ų34.955%0.54720%0.204SC..BIsolated β-bridgetrans-59.9143172.7-69.80000110.7T460 V461 A479T460-C477 CarbonylContact C-O 3.51Å; T460-C477 VanDerWaalsContact CA-O 3.3Å; T460-C477 WeakPolarHBondContact CA-O 3.31Å; T460-C477 HydrophobicContact CG2-CB 4.17Å; T460-C477 WeakPolarHBondContact CG2-O 3.37Å; V461-C477 PolarHBondContact N-O 3.32Å; C477-A479 PolarHBondContact O-N 2.85Å
478G90.1Very high93.7Very high37 Ų3735.7 Ų35.738%0.38121%0.209SC..THydrogen-bonded Turntrans91.5-21.4175.700000115.7R437R437-G478 PolarHBondContact NE-O 3.49Å
479A92.8Very high93.6Very high18 Ų1835.5 Ų35.515%0.14921%0.212CC..  trans-82.9150.8168.500000111.5A435 V436 V461 I475 P476 C477A435-A479 HydrophobicContact CB-CB 3.93Å; V436-A479 WeakPolarHBondContact O-CA 3.32Å; V436-A479 WeakPolarHBondContact O-CB 3.13Å; V461-A479 HydrophobicContact CB-CB 4.28Å; V461-A479 HydrophobicContact CG2-CB 4.25Å; I475-A479 HydrophobicContact CG2-CB 4Å; P476-A479 HydrophobicContact CG-CB 4.26Å; C477-A479 PolarHBondContact O-N 2.85Å
480D93.6Very high93.4Very high60 Ų6039.1 Ų39.132%0.32123%0.231SC..  trans-137.5-0.4-178.671.8-18000114.4V436 R437 A438 G512V436-D480 PolarHBondContact O-N 3.45Å; R437-D480 WeakPolarHBondContact CA-OD1 3.25Å; A438-D480 PolarHBondContact N-OD1 3.3Å; D480-G512 PolarHBondContact O-N 2.83Å
481A94.1Very high93.3Very high0 Ų040.5 Ų40.50%024%0.236CC..EExtended strand (participates in β ladder)trans-148.6160173.700000111V436 A438 A509 R510 Q513V436-A481 HydrophobicContact CG2-CB 4.03Å; V436-A481 PolarHBondContact N-O 3.07Å; V436-A481 PolarHBondContact O-N 3.01Å; A438-A481 HydrophobicContact CB-CB 4.15Å; A481-A509 HydrophobicContact CB-CB 3.93Å; A481-R510 VanDerWaalsContact CB-O 3.26Å; A481-R510 WeakPolarHBondContact CB-O 3.48Å; A481-Q513 HydrophobicContact CB-CB 4.38Å
482V95.9Very high93.1Very high0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans-111142165.3172.10000109.6Y434 V469 I475 Q513 D514 I515Y434-V482 WeakPolarHBondContact O-CA 3.46Å; V469-V482 HydrophobicContact CG2-CG1 4.06Å; V469-V482 HydrophobicContact CG2-CG2 4.08Å; I475-V482 HydrophobicContact CD1-CG2 3.52Å; V482-Q513 PolarHBondContact N-O 2.99Å; V482-D514 HydrophobicContact CB-CB 4.03Å; V482-D514 HydrophobicContact CG1-CB 4.41Å; V482-I515 HydrophobicContact CB-CG1 4.46Å; V482-I515 HydrophobicContact CG2-CD1 4.27Å; V482-I515 HydrophobicContact CG2-CG1 3.78Å
483V95.2Very high93Very high1 Ų146.7 Ų46.71%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-110.9125.1165.9178.30000107.4G433 Y434 V436 D487 T488 I505 V507 A509G433-V483 WeakPolarHBondContact CA-O 3.18Å; Y434-V483 PolarHBondContact N-O 3.16Å; Y434-V483 PolarHBondContact O-N 3.48Å; V436-V483 HydrophobicContact CG1-CB 4.33Å; V436-V483 HydrophobicContact CG1-CG2 3.98Å; V436-V483 HydrophobicContact CG2-CG2 3.86Å; V483-D487 HydrophobicContact CG1-CB 3.71Å; V483-T488 HydrophobicContact CG1-CG2 3.84Å; V483-I505 HydrophobicContact CG1-CG2 4.34Å; V483-I505 HydrophobicContact CG2-CG2 4.02Å; V483-V507 HydrophobicContact CG1-CG2 3.83Å; V483-V507 HydrophobicContact CG2-CG2 4.34Å; V483-A509 HydrophobicContact CG2-CB 3.77Å
484Q95.2Very high92.7Very high48 Ų4848.1 Ų48.122%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-64.5148.817769.8-175.4-200111K431 D432 E486 D487K431-Q484 HydrophobicContact CB-CB 4.13Å; K431-Q484 HydrophobicContact CG-CB 4.15Å; D432-Q484 WeakPolarHBondContact O-CA 3.37Å; Q484-E486 WeakPolarHBondContact CB-OE2 3.35Å; Q484-E486 HydrophobicContact CG-CB 4.41Å; Q484-E486 VanDerWaalsContact CG-OE2 3.26Å; Q484-E486 WeakPolarHBondContact CG-OE2 3.24Å; Q484-E486 PolarHBondContact O-N 2.7Å; Q484-E486 VanDerWaalsContact O-N 3.11Å; Q484-D487 HydrophobicContact CG-CB 4.29Å; Q484-D487 VanDerWaalsContact CG-OD2 3.3Å; Q484-D487 WeakPolarHBondContact CG-OD2 3.22Å; Q484-D487 PolarHBondContact NE2-OD2 3.47Å; Q484-D487 PolarHBondContact O-N 3.04Å
485V93.8Very high91.9Very high73 Ų7357.8 Ų57.844%0.44230%0.304SS..G310 helixtrans-56.7-31-174.667.60000113.3D432 D487 T488D432-V485 PolarHBondContact O-N 2.9Å; V485-D487 PolarHBondContact O-N 3.07Å; V485-T488 PolarHBondContact O-N 3.23Å; V485-T488 PolarHBondContact O-OG1 2.67Å
486E93.9Very high91.2Very high122 Ų12263.9 Ų63.957%0.5734%0.336SS*.G310 helixtrans-65.1-21.9179.6-52.495.913500113.8K431 Q484 T488K431-E486 IonicContact NZ-OE1 2.83Å; K431-E486 IonicContact NZ-OE2 2.6Å; Q484-E486 WeakPolarHBondContact CB-OE2 3.35Å; Q484-E486 HydrophobicContact CG-CB 4.41Å; Q484-E486 VanDerWaalsContact CG-OE2 3.26Å; Q484-E486 WeakPolarHBondContact CG-OE2 3.24Å; Q484-E486 PolarHBondContact O-N 2.7Å; Q484-E486 VanDerWaalsContact O-N 3.11Å; E486-T488 VanDerWaalsContact C-N 3.33Å
487D94.1Very high90.7Very high45 Ų4566.1 Ų66.124%0.24136%0.36CS..G310 helixtrans-96.824.9177.3-73.7-55.4000112.4V483 Q484 V485 L506 V507V483-D487 HydrophobicContact CG1-CB 3.71Å; Q484-D487 HydrophobicContact CG-CB 4.29Å; Q484-D487 VanDerWaalsContact CG-OD2 3.3Å; Q484-D487 WeakPolarHBondContact CG-OD2 3.22Å; Q484-D487 PolarHBondContact NE2-OD2 3.47Å; Q484-D487 PolarHBondContact O-N 3.04Å; V485-D487 PolarHBondContact O-N 3.07Å; D487-L506 VanDerWaalsContact O-CB 3.28Å; D487-L506 WeakPolarHBondContact O-CB 3.38Å; D487-L506 PolarHBondContact O-N 2.89Å; D487-V507 HydrophobicContact CB-CB 4.45Å; D487-V507 HydrophobicContact CB-CG1 3.9Å; D487-V507 HydrophobicContact CB-CG2 3.72Å; D487-V507 WeakPolarHBondContact OD1-CG1 3.33Å
488T93.1Very high90.3Very high20 Ų2067.4 Ų67.412%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-137.9151.7-17868.80000114Y434 V483 V485 E486 V503 R504 I505Y434-T488 HydrophobicContact CD2-CG2 3.79Å; Y434-T488 HydrophobicContact CE2-CG2 4.06Å; Y434-T488 WeakPolarHBondContact CE2-OG1 3.33Å; V483-T488 HydrophobicContact CG1-CG2 3.84Å; V485-T488 PolarHBondContact O-N 3.23Å; V485-T488 PolarHBondContact O-OG1 2.67Å; E486-T488 VanDerWaalsContact C-N 3.33Å; T488-V503 HydrophobicContact CG2-CG2 4.25Å; T488-R504 CarbonylContact C-O 3.53Å; T488-R504 WeakPolarHBondContact CA-O 3.28Å; T488-R504 WeakPolarHBondContact CB-O 3.31Å; T488-I505 HydrophobicContact CG2-CD1 3.72Å
489E93Very high90Very high89 Ų8971.8 Ų71.842%0.41638%0.376SS..EExtended strand (participates in β ladder)trans-117.5125.8170.2-56.6173.715400109.7V503 R504 L506E489-V503 CarbonylContact O-C 3.59Å; E489-V503 WeakPolarHBondContact O-CA 3.46Å; E489-V503 WeakPolarHBondContact O-CG2 3.42Å; E489-R504 HydrophobicContact CB-CB 4.18Å; E489-R504 PolarHBondContact N-O 2.87Å; E489-R504 PolarHBondContact O-N 2.82Å; E489-R504 WeakPolarHBondContact OE2-CD 3.37Å; E489-R504 IonicContact OE2-CZ 3.15Å; E489-R504 IonicContact OE2-NH1 2.57Å; E489-R504 PolarHBondContact OE2-NH1 3.07Å; E489-L506 HydrophobicContact CG-CD1 4.16Å; E489-L506 HydrophobicContact CG-CD2 4.01Å; E489-L506 HydrophobicContact CG-CG 4.34Å
490L91.6Very high89.8Confident77 Ų7773.3 Ų73.340%0.40338%0.38SS..EExtended strand (participates in β ladder)trans-70.4130.2171.8-174.864.1000109.9E493 E500L490-E493 HydrophobicContact CD2-CB 4.44Å; L490-E500 HydrophobicContact CD1-CB 3.72Å; L490-E500 HydrophobicContact CD1-CG 3.74Å; L490-E500 HydrophobicContact CD2-CG 4.15Å
491L89.9Confident89.6Confident64 Ų6473.1 Ų73.134%0.33538%0.379SS..EExtended strand (participates in β ladder)trans-109-36-176.7-59.2-178.8000113.4D444 E502 R504D444-L491 HydrophobicContact CB-CD1 3.72Å; D444-L491 VanDerWaalsContact OD2-CD1 3.32Å; D444-L491 WeakPolarHBondContact OD2-CD1 3.27Å; L491-E502 HydrophobicContact CB-CB 4.23Å; L491-E502 WeakPolarHBondContact CB-O 3.33Å; L491-E502 PolarHBondContact N-O 2.85Å; L491-R504 HydrophobicContact CD1-CB 4.04Å; L491-R504 HydrophobicContact CD2-CB 4.18Å; L491-R504 HydrophobicContact CG-CB 4.15Å
492R87.9Confident89.5Confident112 Ų11275.2 Ų75.242%0.42339%0.389SS..EExtended strand (participates in β ladder)trans-147.9135.1174.8-165.1176.367.2-116.9-7.7111.5L501 E502R492-L501 HydrophobicContact CG-CD1 4.49Å; R492-L501 WeakPolarHBondContact O-CA 3.4Å; R492-L501 WeakPolarHBondContact O-CB 3.42Å; R492-L501 PolarHBondContact O-N 3.44Å; R492-E502 HydrophobicContact CB-CB 4.17Å; R492-E502 VanDerWaalsContact CZ-CD 3.42Å; R492-E502 IonicContact CZ-OE1 3.25Å; R492-E502 IonicContact CZ-OE2 3.78Å; R492-E502 PolarHBondContact N-O 2.88Å; R492-E502 VanDerWaalsContact N-O 3.13Å; R492-E502 IonicContact NH1-OE1 3.85Å; R492-E502 PolarHBondContact NH1-OE1 2.59Å; R492-E502 IonicContact NH1-OE2 2.86Å; R492-E502 PolarHBondContact NH1-OE2 3.09Å; R492-E502 VanDerWaalsContact NH2-CD 3.28Å; R492-E502 IonicContact NH2-OE1 3.47Å; R492-E502 PolarHBondContact NH2-OE1 3.09Å; R492-E502 IonicContact NH2-OE2 2.77Å; R492-E502 PolarHBondContact O-N 3.03Å; R492-E502 VanDerWaalsContact O-N 3.09Å
493E90.2Very high89.4Confident115 Ų11575.2 Ų75.254%0.53739%0.389SS..EExtended strand (participates in β ladder)trans-114169.2171.758.6-168.3-172.200110.6L490 E499L490-E493 HydrophobicContact CD2-CB 4.44Å; E493-E499 CarbonylContact C-O 3.57Å; E493-E499 WeakPolarHBondContact CA-O 3.37Å
494S87.3Confident89.3Confident30 Ų3078.8 Ų78.821%0.2140%0.402CS..  trans-64.6154.9169.1-177.80000111.6D496 G497 E499S494-D496 PolarHBondContact O-N 2.95Å; S494-D496 VanDerWaalsContact O-N 3.16Å; S494-G497 PolarHBondContact O-N 2.97Å; S494-E499 PolarHBondContact N-O 2.87Å
495E79.8Confident89.3Confident205 Ų20576.7 Ų76.796%0.95839%0.392SS*.THydrogen-bonded Turntrans-60.1-24.6175.7-63.7-174.1177.500112.8
496D79.4Confident89.3Confident140 Ų14077.1 Ų77.175%0.74939%0.392SS*.THydrogen-bonded Turntrans-86.9-4.2174.7-67-47.3000113.8S494 T498S494-D496 PolarHBondContact O-N 2.95Å; S494-D496 VanDerWaalsContact O-N 3.16Å; D496-T498 HydrophobicContact CB-CG2 4.15Å; D496-T498 PolarHBondContact O-N 3.29Å
497G82.2Confident89.3Confident51 Ų5173.4 Ų73.453%0.52638%0.377SS..SBendtrans68.113.5-176.400000115.3S494S494-G497 PolarHBondContact O-N 2.97Å
498T82.7Confident89.2Confident108 Ų10876.5 Ų76.566%0.66339%0.39SS*.  trans-94.6-24.9-171.946.20000115.1D496D496-T498 HydrophobicContact CB-CG2 4.15Å; D496-T498 PolarHBondContact O-N 3.29Å
499E84.7Confident89.1Confident129 Ų12975.8 Ų75.860%0.60339%0.387SS*.  trans-130.2136.2-178.7-67.7-174162.100110.7E493 S494E493-E499 CarbonylContact C-O 3.57Å; E493-E499 WeakPolarHBondContact CA-O 3.37Å; S494-E499 PolarHBondContact N-O 2.87Å
500E87.8Confident89.1Confident51 Ų5180.5 Ų80.524%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-86.5129.6171.5-62.7167.8160.200108.9Y434 I447 R468 L490Y434-E500 PolarHBondContact OH-OE2 3.45Å; I447-E500 WeakPolarHBondContact CB-O 3.42Å; I447-E500 HydrophobicContact CD1-CB 3.44Å; I447-E500 VanDerWaalsContact CD1-CB 3.44Å; I447-E500 WeakPolarHBondContact CG2-O 3.22Å; R468-E500 WeakPolarHBondContact CD-OE2 3.41Å; R468-E500 IonicContact CZ-OE2 2.73Å; R468-E500 IonicContact NE-OE2 3.43Å; R468-E500 IonicContact NH1-OE1 3.6Å; R468-E500 PolarHBondContact NH1-OE1 2.98Å; R468-E500 IonicContact NH1-OE2 3.79Å; R468-E500 PolarHBondContact NH1-OE2 3.38Å; L490-E500 HydrophobicContact CD1-CB 3.72Å; L490-E500 HydrophobicContact CD1-CG 3.74Å; L490-E500 HydrophobicContact CD2-CG 4.15Å
501L89.3Confident89.2Confident55 Ų5581.7 Ų81.729%0.28841%0.413SS..EExtended strand (participates in β ladder)trans-110.6-40.2-171.9-59.1177.5000112.9I447 R492I447-L501 PolarHBondContact N-O 3.24Å; R492-L501 HydrophobicContact CG-CD1 4.49Å; R492-L501 WeakPolarHBondContact O-CA 3.4Å; R492-L501 WeakPolarHBondContact O-CB 3.42Å; R492-L501 PolarHBondContact O-N 3.44Å
502E92.3Very high89.2Confident44 Ų4481.1 Ų81.121%0.20642%0.423CS..EExtended strand (participates in β ladder)trans-139134.6179.5-79.7168.1-159.600111.5R445 F446 L491 R492R445-E502 WeakPolarHBondContact O-CA 3.28Å; F446-E502 HydrophobicContact CD1-CG 3.83Å; F446-E502 WeakPolarHBondContact CD1-OE1 3.44Å; F446-E502 HydrophobicContact CE1-CG 4.19Å; F446-E502 WeakPolarHBondContact CE1-OE1 3.1Å; L491-E502 HydrophobicContact CB-CB 4.23Å; L491-E502 WeakPolarHBondContact CB-O 3.33Å; L491-E502 PolarHBondContact N-O 2.85Å; R492-E502 HydrophobicContact CB-CB 4.17Å; R492-E502 VanDerWaalsContact CZ-CD 3.42Å; R492-E502 IonicContact CZ-OE1 3.25Å; R492-E502 IonicContact CZ-OE2 3.78Å; R492-E502 PolarHBondContact N-O 2.88Å; R492-E502 VanDerWaalsContact N-O 3.13Å; R492-E502 IonicContact NH1-OE1 3.85Å; R492-E502 PolarHBondContact NH1-OE1 2.59Å; R492-E502 IonicContact NH1-OE2 2.86Å; R492-E502 PolarHBondContact NH1-OE2 3.09Å; R492-E502 VanDerWaalsContact NH2-CD 3.28Å; R492-E502 IonicContact NH2-OE1 3.47Å; R492-E502 PolarHBondContact NH2-OE1 3.09Å; R492-E502 IonicContact NH2-OE2 2.77Å; R492-E502 PolarHBondContact O-N 3.03Å; R492-E502 VanDerWaalsContact O-N 3.09Å
503V93.8Very high89.5Confident0 Ų078.4 Ų78.40%042%0.415CS..EExtended strand (participates in β ladder)trans-133.1142.8-179.361.90000110.8Y434 D444 R445 I447 V466 T488 E489 I505Y434-V503 HydrophobicContact CD1-CG1 4.09Å; Y434-V503 HydrophobicContact CD2-CG2 4.42Å; Y434-V503 HydrophobicContact CE1-CB 4.33Å; Y434-V503 HydrophobicContact CE1-CG1 3.93Å; Y434-V503 HydrophobicContact CE1-CG2 4.44Å; Y434-V503 HydrophobicContact CE2-CG2 3.84Å; Y434-V503 HydrophobicContact CG-CG1 4.46Å; D444-V503 CarbonylContact C-O 3.6Å; R445-V503 PolarHBondContact N-O 3.19Å; R445-V503 PolarHBondContact O-N 2.8Å; I447-V503 HydrophobicContact CD1-CB 4.02Å; I447-V503 HydrophobicContact CD1-CG1 3.93Å; I447-V503 HydrophobicContact CG1-CB 4.45Å; I447-V503 HydrophobicContact CG1-CG1 3.83Å; V466-V503 HydrophobicContact CG2-CG1 3.68Å; T488-V503 HydrophobicContact CG2-CG2 4.25Å; E489-V503 CarbonylContact O-C 3.59Å; E489-V503 WeakPolarHBondContact O-CA 3.46Å; E489-V503 WeakPolarHBondContact O-CG2 3.42Å; V503-I505 HydrophobicContact CG1-CD1 4.4Å
504R94.2Very high89.7Confident76 Ų7675.2 Ų75.229%0.28740%0.401SS..EExtended strand (participates in β ladder)trans-90.7123.1168.5-177.4169.1-66124.710110.2D444 T488 E489 L491 L506D444-R504 WeakPolarHBondContact OD1-CG 3.14Å; D444-R504 IonicContact OD1-CZ 2.7Å; D444-R504 IonicContact OD1-NE 2.81Å; D444-R504 PolarHBondContact OD1-NE 3.03Å; D444-R504 IonicContact OD1-NH2 2.71Å; D444-R504 PolarHBondContact OD1-NH2 3.05Å; D444-R504 IonicContact OD2-CZ 3.55Å; D444-R504 IonicContact OD2-NE 2.74Å; D444-R504 IonicContact OD2-NH2 3.4Å; D444-R504 PolarHBondContact OD2-NH2 2.92Å; T488-R504 CarbonylContact C-O 3.53Å; T488-R504 WeakPolarHBondContact CA-O 3.28Å; T488-R504 WeakPolarHBondContact CB-O 3.31Å; E489-R504 HydrophobicContact CB-CB 4.18Å; E489-R504 PolarHBondContact N-O 2.87Å; E489-R504 PolarHBondContact O-N 2.82Å; E489-R504 WeakPolarHBondContact OE2-CD 3.37Å; E489-R504 IonicContact OE2-CZ 3.15Å; E489-R504 IonicContact OE2-NH1 2.57Å; E489-R504 PolarHBondContact OE2-NH1 3.07Å; L491-R504 HydrophobicContact CD1-CB 4.04Å; L491-R504 HydrophobicContact CD2-CB 4.18Å; L491-R504 HydrophobicContact CG-CB 4.15Å; R504-L506 HydrophobicContact CG-CD2 4.09Å
505I94.8Very high90Very high5 Ų575 Ų753%0.02640%0.398CS..EExtended strand (participates in β ladder)trans-83.6117.7167.5-55.3-54.5000108.4V436 P442 G443 R445 V483 T488 V503 V507V436-I505 HydrophobicContact CG1-CD1 4.02Å; V436-I505 HydrophobicContact CG1-CG1 4.34Å; P442-I505 CarbonylContact C-O 3.59Å; P442-I505 WeakPolarHBondContact CA-O 3.38Å; P442-I505 WeakPolarHBondContact CB-O 3.45Å; G443-I505 PolarHBondContact N-O 2.92Å; G443-I505 PolarHBondContact O-N 3.32Å; R445-I505 HydrophobicContact CG-CG1 4Å; V483-I505 HydrophobicContact CG1-CG2 4.34Å; V483-I505 HydrophobicContact CG2-CG2 4.02Å; T488-I505 HydrophobicContact CG2-CD1 3.72Å; V503-I505 HydrophobicContact CG1-CD1 4.4Å; I505-V507 WeakPolarHBondContact CG2-O 3.49Å
506L93.2Very high90.8Very high82 Ų8268.9 Ų68.943%0.42937%0.366SS..  trans-81.5-30.2-177.7-61.3175.4000112.9D487 E489 R504D487-L506 VanDerWaalsContact O-CB 3.28Å; D487-L506 WeakPolarHBondContact O-CB 3.38Å; D487-L506 PolarHBondContact O-N 2.89Å; E489-L506 HydrophobicContact CG-CD1 4.16Å; E489-L506 HydrophobicContact CG-CD2 4.01Å; E489-L506 HydrophobicContact CG-CG 4.34Å; R504-L506 HydrophobicContact CG-CD2 4.09Å
507V93.3Very high91.5Very high43 Ų4365.4 Ų65.426%0.26135%0.351SS..SBendtrans-111.5149.7-169.1-60.30000113.7V483 D487 I505 A509V483-V507 HydrophobicContact CG1-CG2 3.83Å; V483-V507 HydrophobicContact CG2-CG2 4.34Å; D487-V507 HydrophobicContact CB-CB 4.45Å; D487-V507 HydrophobicContact CB-CG1 3.9Å; D487-V507 HydrophobicContact CB-CG2 3.72Å; D487-V507 WeakPolarHBondContact OD1-CG1 3.33Å; I505-V507 WeakPolarHBondContact CG2-O 3.49Å; V507-A509 PolarHBondContact O-N 3.08Å
508Q92.4Very high92.1Very high110 Ų11067.4 Ų67.451%0.51435%0.349SS..  trans-79.995.9170.9176.457.775.400109.7A438 G441 P442A438-Q508 PolarHBondContact O-NE2 3.14Å; G441-Q508 VanDerWaalsContact CA-OE1 3.27Å; P442-Q508 HydrophobicContact CG-CB 4.23Å
509A91.6Very high92.5Very high6 Ų662.4 Ų62.45%0.0532%0.318CS..  trans-58.1154.5174.300000112.3V436 A438 A481 V483 V507V436-A509 HydrophobicContact CG2-CB 3.91Å; A438-A509 HydrophobicContact CB-CB 4.41Å; A481-A509 HydrophobicContact CB-CB 3.93Å; V483-A509 HydrophobicContact CG2-CB 3.77Å; V507-A509 PolarHBondContact O-N 3.08Å
510R92.6Very high93Very high188 Ų18861.8 Ų61.871%0.70932%0.315SS*.  trans-106.3143173.6-58.8179.3-177.3177.52.3110.6A481 G512 Q513A481-R510 VanDerWaalsContact CB-O 3.26Å; A481-R510 WeakPolarHBondContact CB-O 3.48Å; R510-G512 PolarHBondContact O-N 2.82Å; R510-Q513 HydrophobicContact CB-CB 4.27Å; R510-Q513 WeakPolarHBondContact O-CB 3.4Å; R510-Q513 PolarHBondContact O-N 2.92Å
511P93.4Very high93.2Very high101 Ų10162.7 Ų62.766%0.65632%0.322SS*.THydrogen-bonded Turntrans-55.7130.6173-23.933.4000111.5A438 Q513A438-P511 HydrophobicContact CB-CG 3.94Å; P511-Q513 VanDerWaalsContact C-N 3.31Å
512G90.5Very high93.4Very high53 Ų5360.9 Ų60.955%0.54631%0.312SS..THydrogen-bonded Turntrans78.64.1-174.700000115.4D480 R510D480-G512 PolarHBondContact O-N 2.83Å; R510-G512 PolarHBondContact O-N 2.82Å
513Q93.9Very high93.5Very high54 Ų5464.8 Ų64.825%0.25233%0.328SS..THydrogen-bonded Turntrans-65.8135.3174.9173.5173.6-12.200111.5A481 V482 R510 P511 I515A481-Q513 HydrophobicContact CB-CB 4.38Å; V482-Q513 PolarHBondContact N-O 2.99Å; R510-Q513 HydrophobicContact CB-CB 4.27Å; R510-Q513 WeakPolarHBondContact O-CB 3.4Å; R510-Q513 PolarHBondContact O-N 2.92Å; P511-Q513 VanDerWaalsContact C-N 3.31Å; Q513-I515 PolarHBondContact O-N 3.19Å; Q513-I515 VanDerWaalsContact O-N 3.08Å
514D93.9Very high93.6Very high48 Ų4873.3 Ų73.326%0.25736%0.361SS..THydrogen-bonded Turntrans53.528.1172.5-60.9-48.1000114.7V430 K431 V482V430-D514 HydrophobicContact CB-CB 4.36Å; V430-D514 WeakPolarHBondContact CB-O 3.19Å; V430-D514 WeakPolarHBondContact CG2-O 3.27Å; V430-D514 PolarHBondContact N-O 2.65Å; K431-D514 HydrophobicContact CG-CB 4.48Å; V482-D514 HydrophobicContact CB-CB 4.03Å; V482-D514 HydrophobicContact CG1-CB 4.41Å
515I94.8Very high93.5Very high26 Ų2672.2 Ų72.213%0.13337%0.373CS..EExtended strand (participates in β ladder)trans-122.5129174-63.6172000109.6P427 A428 I475 V482 Q513 P517P427-I515 HydrophobicContact CB-CG2 4.09Å; A428-I515 WeakPolarHBondContact O-CA 3.49Å; I475-I515 HydrophobicContact CD1-CD1 4.29Å; I475-I515 HydrophobicContact CD1-CG1 3.98Å; I475-I515 HydrophobicContact CG1-CD1 3.99Å; I475-I515 HydrophobicContact CG1-CG1 3.88Å; I475-I515 HydrophobicContact CG1-CG2 3.98Å; I475-I515 HydrophobicContact CG2-CD1 4.1Å; V482-I515 HydrophobicContact CB-CG1 4.46Å; V482-I515 HydrophobicContact CG2-CD1 4.27Å; V482-I515 HydrophobicContact CG2-CG1 3.78Å; Q513-I515 PolarHBondContact O-N 3.19Å; Q513-I515 VanDerWaalsContact O-N 3.08Å; I515-P517 VanDerWaalsContact O-CD 3.31Å; I515-P517 WeakPolarHBondContact O-CD 3.4Å
516R95.1Very high93.5Very high77 Ų7776.2 Ų76.229%0.29139%0.392SS..EExtended strand (participates in β ladder)trans-87.4108.9163.9-83.3160.656.7-130.85.2108.9P424 P427 A428 V430 H520 D521P424-R516 HydrophobicContact CG-CB 3.93Å; P424-R516 WeakPolarHBondContact CG-O 3.34Å; P427-R516 CarbonylContact C-O 3.4Å; P427-R516 WeakPolarHBondContact CA-O 3.43Å; A428-R516 PolarHBondContact N-O 3.37Å; A428-R516 PolarHBondContact O-N 2.94Å; V430-R516 HydrophobicContact CG2-CG 3.89Å; R516-H520 HydrophobicContact CB-CB 4.41Å; R516-D521 IonicContact CZ-OD2 3.96Å; R516-D521 VanDerWaalsContact CZ-OD2 3.23Å; R516-D521 IonicContact NE-OD1 3.9Å; R516-D521 IonicContact NE-OD2 3.07Å; R516-D521 PolarHBondContact NE-OD2 3.49Å; R516-D521 IonicContact NH2-OD2 2.83Å; R516-D521 PolarHBondContact NH2-OD2 2.99Å
517P94.6Very high93.6Very high67 Ų6775 Ų7544%0.43539%0.39SS..  trans-67.5166.9178.227.7-35.4000112.5P424 I515 G519 H520P424-P517 WeakPolarHBondContact CD-O 3.28Å; P424-P517 WeakPolarHBondContact CG-O 3.4Å; I515-P517 VanDerWaalsContact O-CD 3.31Å; I515-P517 WeakPolarHBondContact O-CD 3.4Å; P517-G519 PolarHBondContact O-N 2.85Å; P517-H520 HydrophobicContact CG-CB 4.08Å; P517-H520 VanDerWaalsContact O-CB 3.27Å; P517-H520 WeakPolarHBondContact O-CB 3.37Å; P517-H520 PolarHBondContact O-N 3.46Å
518I94.5Very high93.7Very high93 Ų9374.3 Ų74.348%0.47739%0.386SS..THydrogen-bonded Turntrans-56.5123178.6-58.3175.9000110.1N422 P424 P427 H520N422-I518 HydrophobicContact CB-CG2 3.81Å; N422-I518 WeakPolarHBondContact ND2-CG2 3.34Å; P424-I518 WeakPolarHBondContact O-CA 3.47Å; P427-I518 HydrophobicContact CG-CD1 4.34Å; P427-I518 HydrophobicContact CG-CG1 4.02Å; I518-H520 VanDerWaalsContact C-N 3.34Å
519G92.6Very high93.8Very high3 Ų369.7 Ų69.73%0.03136%0.364CS..THydrogen-bonded Turntrans68.230.918000000114.2L423 P424 P517 I522 K523L423-G519 CarbonylContact O-C 3.59Å; L423-G519 WeakPolarHBondContact O-CA 3.23Å; P424-G519 PolarHBondContact O-N 2.76Å; P517-G519 PolarHBondContact O-N 2.85Å; G519-I522 VanDerWaalsContact CA-O 3.31Å; G519-I522 WeakPolarHBondContact CA-O 3.36Å; G519-K523 VanDerWaalsContact O-CE 3.3Å; G519-K523 WeakPolarHBondContact O-CE 3.31Å; G519-K523 WeakPolarHBondContact O-CG 3.44Å
520H93.8Very high94Very high115 Ų11571.7 Ų71.753%0.53238%0.38SS..SBendtrans-62.1-44.1171.1-179.7-91.7000112.3L423 R516 P517 I518L423-H520 PolarHBondContact O-N 2.71Å; R516-H520 HydrophobicContact CB-CB 4.41Å; P517-H520 HydrophobicContact CG-CB 4.08Å; P517-H520 VanDerWaalsContact O-CB 3.27Å; P517-H520 WeakPolarHBondContact O-CB 3.37Å; P517-H520 PolarHBondContact O-N 3.46Å; I518-H520 VanDerWaalsContact C-N 3.34Å
521D92.7Very high94.1Very high70 Ų7068.8 Ų68.837%0.37437%0.373SS..SBendtrans-97.8-37.8-170.8-47.7-47000112.2L423 P424 R516L423-D521 HydrophobicContact CB-CB 4.43Å; L423-D521 HydrophobicContact CD2-CB 4.13Å; L423-D521 HydrophobicContact CG-CB 4.41Å; L423-D521 PolarHBondContact O-N 2.87Å; P424-D521 WeakPolarHBondContact CD-OD2 3.3Å; R516-D521 IonicContact CZ-OD2 3.96Å; R516-D521 VanDerWaalsContact CZ-OD2 3.23Å; R516-D521 IonicContact NE-OD1 3.9Å; R516-D521 IonicContact NE-OD2 3.07Å; R516-D521 PolarHBondContact NE-OD2 3.49Å; R516-D521 IonicContact NH2-OD2 2.83Å; R516-D521 PolarHBondContact NH2-OD2 2.99Å
522I94.5Very high94Very high18 Ų1864.7 Ų64.79%0.09235%0.349CS..BIsolated β-bridgetrans-145.2134.1176.6-51.7176.4000109.1A419 N422 L423 G519 V528 L542 T545 V546A419-I522 HydrophobicContact CB-CG2 3.44Å; A419-I522 VanDerWaalsContact CB-CG2 3.44Å; N422-I522 CarbonylContact C-O 3.6Å; N422-I522 WeakPolarHBondContact CA-O 3.35Å; L423-I522 HydrophobicContact CB-CB 3.81Å; L423-I522 HydrophobicContact CB-CD1 4.17Å; L423-I522 HydrophobicContact CB-CG1 4.01Å; L423-I522 HydrophobicContact CD2-CD1 3.82Å; L423-I522 HydrophobicContact CD2-CG1 4.1Å; L423-I522 PolarHBondContact N-O 3.41Å; L423-I522 PolarHBondContact O-N 3.32Å; G519-I522 VanDerWaalsContact CA-O 3.31Å; G519-I522 WeakPolarHBondContact CA-O 3.36Å; I522-V528 HydrophobicContact CD1-CG1 4.32Å; I522-V528 HydrophobicContact CG2-CG1 3.55Å; I522-L542 HydrophobicContact CD1-CD1 3.58Å; I522-T545 HydrophobicContact CD1-CG2 4.29Å; I522-V546 HydrophobicContact CD1-CG1 4.38Å
523K94.3Very high94.1Very high125 Ų12564.3 Ų64.354%0.54334%0.336SS..  trans-100.8144.1176.3-69.9162-172.8150.10112.1A419 G519 G525 E526A419-K523 WeakPolarHBondContact CB-O 3.5Å; G519-K523 VanDerWaalsContact O-CE 3.3Å; G519-K523 WeakPolarHBondContact O-CE 3.31Å; G519-K523 WeakPolarHBondContact O-CG 3.44Å; K523-G525 PolarHBondContact O-N 3.03Å; K523-E526 HydrophobicContact CB-CB 4.36Å; K523-E526 PolarHBondContact N-OE2 3.05Å; K523-E526 WeakPolarHBondContact O-CB 3.43Å; K523-E526 PolarHBondContact O-N 3.12Å
524R94.7Very high94.1Very high179 Ų17966 Ų6668%0.67534%0.344SS*.THydrogen-bonded Turntrans-57125.2171.1172.6168.9174.9155.8-1.9110.6K420 N422K420-R524 WeakPolarHBondContact O-CD 3.19Å; K420-R524 VanDerWaalsContact O-CG 3.31Å; K420-R524 WeakPolarHBondContact O-CG 3.13Å; K420-R524 PolarHBondContact O-NE 3.05Å; N422-R524 WeakPolarHBondContact OD1-CB 3.49Å; N422-R524 PolarHBondContact OD1-N 3.06Å
525G92.7Very high94.1Very high54 Ų5463.8 Ų63.856%0.55733%0.332SS*.THydrogen-bonded Turntrans90.9-3.5-175.100000114.7A419 K523A419-G525 PolarHBondContact O-N 3.39Å; K523-G525 PolarHBondContact O-N 3.03Å
526E94.4Very high94.1Very high89 Ų8963.4 Ų63.442%0.41633%0.334SS..  trans-74.9139.9176.5-170.3160.1-152.600111.4Y418 A419 K523 V528Y418-E526 CarbonylContact C-O 3.6Å; Y418-E526 VanDerWaalsContact CA-O 3.27Å; Y418-E526 WeakPolarHBondContact CA-O 3.44Å; A419-E526 PolarHBondContact N-O 3.09Å; K523-E526 HydrophobicContact CB-CB 4.36Å; K523-E526 PolarHBondContact N-OE2 3.05Å; K523-E526 WeakPolarHBondContact O-CB 3.43Å; K523-E526 PolarHBondContact O-N 3.12Å; E526-V528 PolarHBondContact O-N 2.86Å
527C95.4Very high94.1Very high57 Ų5764.4 Ų64.439%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-80.5105.3174.7-176.20000109.1V417 Y418V417-C527 CarbonylContact O-C 3.51Å; V417-C527 WeakPolarHBondContact O-CA 3.13Å; Y418-C527 HydrophobicContact CD1-CB 3.93Å; Y418-C527 HydrophobicContact CE1-CB 3.7Å
528V95.2Very high94.1Very high28 Ų2865.5 Ų65.517%0.1736%0.36CS..EExtended strand (participates in β ladder)trans-85.3-28.9-175.7-66.10000113.2V417 A419 I522 E526 L542 V546V417-V528 HydrophobicContact CB-CG2 4.35Å; V417-V528 HydrophobicContact CG1-CG2 4.1Å; V417-V528 WeakPolarHBondContact O-CG2 3.32Å; V417-V528 PolarHBondContact O-N 3.25Å; A419-V528 HydrophobicContact CB-CG1 3.99Å; I522-V528 HydrophobicContact CD1-CG1 4.32Å; I522-V528 HydrophobicContact CG2-CG1 3.55Å; E526-V528 PolarHBondContact O-N 2.86Å; V528-L542 HydrophobicContact CB-CD1 4.39Å; V528-L542 HydrophobicContact CB-CD2 4.07Å; V528-L542 HydrophobicContact CB-CG 4.16Å; V528-L542 HydrophobicContact CG2-CG 4.41Å; V528-V546 HydrophobicContact CG1-CG1 3.98Å; V528-V546 HydrophobicContact CG2-CG1 3.94Å; V528-V546 HydrophobicContact CG2-CG2 4.14Å
529L95.2Very high94.1Very high13 Ų1363.5 Ų63.57%0.06835%0.349CS..EExtended strand (participates in β ladder)trans-141.3126175.3-65.2172.1000109.4L413 V417 T533 E539 L542 L543L413-L529 HydrophobicContact CD1-CB 3.56Å; L413-L529 HydrophobicContact CD1-CD1 3.97Å; L413-L529 HydrophobicContact CD1-CG 4.35Å; V417-L529 HydrophobicContact CB-CB 4.27Å; V417-L529 PolarHBondContact N-O 2.83Å; V417-L529 PolarHBondContact O-N 2.94Å; L529-T533 HydrophobicContact CD2-CG2 4.32Å; L529-E539 HydrophobicContact CD1-CB 4.06Å; L529-E539 HydrophobicContact CD2-CB 4.12Å; L529-E539 HydrophobicContact CD2-CG 3.77Å; L529-L542 HydrophobicContact CD2-CD2 3.95Å; L529-L542 HydrophobicContact CG-CD2 4.07Å; L529-L543 HydrophobicContact CD1-CD2 3.8Å; L529-L543 HydrophobicContact CD1-CG 3.89Å
530A95Very high94.3Very high47 Ų4764.3 Ų64.339%0.38835%0.352SS..  trans-85.1155.1178.900000112.7D416 G532 T533D416-A530 WeakPolarHBondContact OD1-CA 3.4Å; A530-G532 PolarHBondContact O-N 3.41Å; A530-T533 VanDerWaalsContact O-CB 3.31Å; A530-T533 WeakPolarHBondContact O-CB 3.41Å; A530-T533 PolarHBondContact O-N 2.95Å; A530-T533 VanDerWaalsContact O-N 3.16Å; A530-T533 PolarHBondContact O-OG1 3Å; A530-T533 VanDerWaalsContact O-OG1 3.08Å
531K94Very high94.4Very high128 Ų12860.5 Ų60.556%0.55734%0.344SS*.THydrogen-bonded Turntrans-54.4132.8166.8179.3174.1-174.8129.50110.8A414 Q415 D416A414-K531 WeakPolarHBondContact O-CD 3.49Å; A414-K531 WeakPolarHBondContact O-CE 3.16Å; A414-K531 WeakPolarHBondContact O-CG 3.33Å; A414-K531 PolarHBondContact O-NZ 3.4Å; Q415-K531 WeakPolarHBondContact O-CA 3.21Å; Q415-K531 PolarHBondContact O-N 2.63Å; D416-K531 WeakPolarHBondContact OD1-CB 3.5Å; D416-K531 PolarHBondContact OD1-N 3.06Å
532G91.3Very high94.5Very high15 Ų1559.5 Ų59.516%0.15534%0.338CS..THydrogen-bonded Turntrans90.9-6.3-176.300000114.7L413 A530 H534L413-G532 PolarHBondContact O-N 2.7Å; A530-G532 PolarHBondContact O-N 3.41Å; G532-H534 PolarHBondContact O-N 3.47Å
533T93.8Very high94.5Very high44 Ų4458.6 Ų58.627%0.2733%0.334SS..PPolyproline II helixtrans-65.5128170.4-65.80000110.7V412 L413 L529 A530 E539V412-T533 WeakPolarHBondContact CA-O 3.47Å; L413-T533 PolarHBondContact N-O 3.42Å; L529-T533 HydrophobicContact CD2-CG2 4.32Å; A530-T533 VanDerWaalsContact O-CB 3.31Å; A530-T533 WeakPolarHBondContact O-CB 3.41Å; A530-T533 PolarHBondContact O-N 2.95Å; A530-T533 VanDerWaalsContact O-N 3.16Å; A530-T533 PolarHBondContact O-OG1 3Å; A530-T533 VanDerWaalsContact O-OG1 3.08Å; T533-E539 HydrophobicContact CG2-CG 4.13Å
534H94.3Very high94.5Very high91 Ų9155 Ų5542%0.42133%0.327SS..BIsolated β-bridgetrans-88.1116.2171.9174.8-85.1000109.6V412 G532V412-H534 HydrophobicContact CG2-CB 4.22Å; G532-H534 PolarHBondContact O-N 3.47Å
535M93.4Very high94.5Very high1 Ų150 Ų501%0.00532%0.317CS..PPolyproline II helixtrans-83.6126.1-167.4-63.9-174.1-73.700113.2G410 R411 L413 E539 I540 L543 V553G410-M535 WeakPolarHBondContact CA-O 3.49Å; G410-M535 PolarHBondContact N-O 2.88Å; R411-M535 HydrophobicContact CB-CE 3.81Å; R411-M535 PolarHBondContact O-N 3.49Å; L413-M535 HydrophobicContact CD1-CG 4.31Å; L413-M535 HydrophobicContact CD1-SD 4Å; L413-M535 HydrophobicContact CD2-CE 3.91Å; L413-M535 HydrophobicContact CD2-SD 3.78Å; L413-M535 HydrophobicContact CG-CE 4.02Å; L413-M535 HydrophobicContact CG-CG 4.14Å; L413-M535 HydrophobicContact CG-SD 3.67Å; M535-E539 HydrophobicContact CB-CB 3.92Å; M535-E539 HydrophobicContact CG-CB 3.91Å; M535-E539 HydrophobicContact CG-CG 4.49Å; M535-I540 HydrophobicContact CB-CD1 4.28Å; M535-I540 HydrophobicContact SD-CD1 4.37Å; M535-L543 HydrophobicContact SD-CD1 3.73Å; M535-V553 HydrophobicContact CE-CG1 3.71Å
536G94.2Very high94.6Very high17 Ų1748 Ų4818%0.17529%0.293CS..  trans-109.5-167.4163.300000111.6S538 E539 I540G536-S538 VanDerWaalsContact C-N 3.27Å; G536-S538 PolarHBondContact O-N 2.7Å; G536-E539 WeakPolarHBondContact CA-OE2 3.1Å; G536-E539 PolarHBondContact N-OE2 2.8Å; G536-E539 PolarHBondContact O-N 3.1Å; G536-E539 VanDerWaalsContact O-OE2 3.07Å; G536-I540 VanDerWaalsContact O-CG1 3.32Å; G536-I540 WeakPolarHBondContact O-CG1 3.49Å; G536-I540 PolarHBondContact O-N 2.79Å
537P95Very high94.6Very high98 Ų9845 Ų4564%0.63629%0.287SS*.Hα-helixtrans-60-34.2-172.8-25.435.3000114.2M409 G541M409-P537 HydrophobicContact CE-CG 4.01Å; M409-P537 HydrophobicContact SD-CG 4.11Å; P537-G541 PolarHBondContact O-N 2.86Å
538S95.1Very high94.5Very high90 Ų9043.9 Ų43.963%0.62928%0.278SS*.Hα-helixtrans-64-43178.7-55.80000111.7G536 G541 L542G536-S538 VanDerWaalsContact C-N 3.27Å; G536-S538 PolarHBondContact O-N 2.7Å; S538-G541 PolarHBondContact O-N 3.47Å; S538-L542 WeakPolarHBondContact O-CB 3.38Å; S538-L542 PolarHBondContact O-N 3.33Å
539E95.4Very high94.5Very high52 Ų5246.1 Ų46.124%0.24329%0.292CS..Hα-helixtrans-69.7-39.3-178.6-63.764.5-137.600110.6L529 T533 M535 G536 G541 L542 L543L529-E539 HydrophobicContact CD1-CB 4.06Å; L529-E539 HydrophobicContact CD2-CB 4.12Å; L529-E539 HydrophobicContact CD2-CG 3.77Å; T533-E539 HydrophobicContact CG2-CG 4.13Å; M535-E539 HydrophobicContact CB-CB 3.92Å; M535-E539 HydrophobicContact CG-CB 3.91Å; M535-E539 HydrophobicContact CG-CG 4.49Å; G536-E539 WeakPolarHBondContact CA-OE2 3.1Å; G536-E539 PolarHBondContact N-OE2 2.8Å; G536-E539 PolarHBondContact O-N 3.1Å; G536-E539 VanDerWaalsContact O-OE2 3.07Å; E539-G541 VanDerWaalsContact C-N 3.33Å; E539-G541 PolarHBondContact O-N 2.77Å; E539-L542 PolarHBondContact O-N 3.44Å; E539-L543 WeakPolarHBondContact O-CG 3.4Å; E539-L543 PolarHBondContact O-N 2.99Å
540I95.6Very high94.5Very high20 Ų2051.6 Ų51.610%0.10332%0.317CS..Hα-helixtrans-63.9-38.9173.7-54.6-67.5000110.9Y405 G408 M409 M535 G536 A544Y405-I540 HydrophobicContact CD2-CG2 3.85Å; Y405-I540 HydrophobicContact CE2-CG2 4.22Å; Y405-I540 WeakPolarHBondContact O-CD1 3.29Å; G408-I540 VanDerWaalsContact C-CD1 3.41Å; M409-I540 HydrophobicContact CG-CG1 4.28Å; M409-I540 HydrophobicContact SD-CG1 3.94Å; M535-I540 HydrophobicContact CB-CD1 4.28Å; M535-I540 HydrophobicContact SD-CD1 4.37Å; G536-I540 VanDerWaalsContact O-CG1 3.32Å; G536-I540 WeakPolarHBondContact O-CG1 3.49Å; G536-I540 PolarHBondContact O-N 2.79Å; I540-A544 PolarHBondContact O-N 2.96Å; I540-A544 VanDerWaalsContact O-N 3.15Å
541G95.2Very high94.5Very high35 Ų3549.4 Ų49.436%0.36130%0.299SS..Hα-helixtrans-64.7-39.5171.600000112.9P537 S538 E539 A544 T545P537-G541 PolarHBondContact O-N 2.86Å; S538-G541 PolarHBondContact O-N 3.47Å; E539-G541 VanDerWaalsContact C-N 3.33Å; E539-G541 PolarHBondContact O-N 2.77Å; G541-A544 WeakPolarHBondContact O-CB 3.36Å; G541-A544 PolarHBondContact O-N 3.3Å; G541-T545 WeakPolarHBondContact O-CB 3.31Å; G541-T545 PolarHBondContact O-N 3.24Å; G541-T545 PolarHBondContact O-OG1 3.32Å
542L95.2Very high94.7Very high48 Ų4846.3 Ų46.325%0.25129%0.287SS..Hα-helixtrans-68.2-40.7178.1-171.853.2000111.8I522 V528 L529 S538 E539 A544 T545 V546I522-L542 HydrophobicContact CD1-CD1 3.58Å; V528-L542 HydrophobicContact CB-CD1 4.39Å; V528-L542 HydrophobicContact CB-CD2 4.07Å; V528-L542 HydrophobicContact CB-CG 4.16Å; V528-L542 HydrophobicContact CG2-CG 4.41Å; L529-L542 HydrophobicContact CD2-CD2 3.95Å; L529-L542 HydrophobicContact CG-CD2 4.07Å; S538-L542 WeakPolarHBondContact O-CB 3.38Å; S538-L542 PolarHBondContact O-N 3.33Å; E539-L542 PolarHBondContact O-N 3.44Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-A544 PolarHBondContact O-N 3.27Å; L542-T545 WeakPolarHBondContact O-CB 3.44Å; L542-T545 PolarHBondContact O-N 2.9Å; L542-T545 VanDerWaalsContact O-N 3.15Å; L542-V546 WeakPolarHBondContact O-CG2 3.37Å; L542-V546 PolarHBondContact O-N 3.35Å
543L95.1Very high94.9Very high0 Ų045.6 Ų45.60%028%0.279CS..Hα-helixtrans-57.6-43.3170.4-71.9-179.6000112.3Y405 V417 L529 M535 E539 G547 V548 V551Y405-L543 HydrophobicContact CD2-CB 4.45Å; V417-L543 HydrophobicContact CB-CD2 4.38Å; V417-L543 HydrophobicContact CG1-CD2 3.84Å; V417-L543 HydrophobicContact CG2-CD2 4.07Å; L529-L543 HydrophobicContact CD1-CD2 3.8Å; L529-L543 HydrophobicContact CD1-CG 3.89Å; M535-L543 HydrophobicContact SD-CD1 3.73Å; E539-L543 WeakPolarHBondContact O-CG 3.4Å; E539-L543 PolarHBondContact O-N 2.99Å; L543-G547 PolarHBondContact O-N 3.19Å; L543-V548 HydrophobicContact CD2-CB 4.48Å; L543-V548 HydrophobicContact CD2-CG1 4.48Å; L543-V548 PolarHBondContact O-N 3.49Å; L543-V551 HydrophobicContact CD1-CG1 3.85Å; L543-V551 HydrophobicContact CD1-CG2 4.21Å; L543-V551 HydrophobicContact CD2-CG1 3.73Å; L543-V551 HydrophobicContact CG-CG1 4.44Å
544A95.1Very high94.9Very high48 Ų4844.8 Ų44.840%0.39727%0.272SS..Hα-helixtrans-64.6-40174.700000111.9Y405 I540 G541 L542 G547Y405-A544 HydrophobicContact CD2-CB 4.32Å; Y405-A544 HydrophobicContact CE2-CB 3.76Å; I540-A544 PolarHBondContact O-N 2.96Å; I540-A544 VanDerWaalsContact O-N 3.15Å; G541-A544 WeakPolarHBondContact O-CB 3.36Å; G541-A544 PolarHBondContact O-N 3.3Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-A544 PolarHBondContact O-N 3.27Å; A544-G547 WeakPolarHBondContact O-CA 3.26Å; A544-G547 PolarHBondContact O-N 3.42Å
545T94.1Very high94.9Very high76 Ų7644.5 Ų44.547%0.46627%0.27SS..Hα-helixtrans-63.8-43.5179.1-57.80000112.5L423 I522 G541 L542 G547L423-T545 HydrophobicContact CD1-CG2 3.93Å; L423-T545 HydrophobicContact CD2-CG2 3.6Å; L423-T545 HydrophobicContact CG-CG2 4.36Å; I522-T545 HydrophobicContact CD1-CG2 4.29Å; G541-T545 WeakPolarHBondContact O-CB 3.31Å; G541-T545 PolarHBondContact O-N 3.24Å; G541-T545 PolarHBondContact O-OG1 3.32Å; L542-T545 WeakPolarHBondContact O-CB 3.44Å; L542-T545 PolarHBondContact O-N 2.9Å; L542-T545 VanDerWaalsContact O-N 3.15Å; T545-G547 PolarHBondContact O-N 3.05Å
546V94.7Very high94.9Very high10 Ų1046 Ų466%0.06128%0.276CS..THydrogen-bonded Turntrans-79.60.7171-61.30000113.1V417 A419 K420 I522 V528 L542 V548V417-V546 HydrophobicContact CG1-CG2 4.27Å; A419-V546 HydrophobicContact CB-CG1 3.78Å; K420-V546 WeakPolarHBondContact CD-O 3.45Å; K420-V546 WeakPolarHBondContact CE-O 3.46Å; K420-V546 WeakPolarHBondContact CG-O 3.39Å; I522-V546 HydrophobicContact CD1-CG1 4.38Å; V528-V546 HydrophobicContact CG1-CG1 3.98Å; V528-V546 HydrophobicContact CG2-CG1 3.94Å; V528-V546 HydrophobicContact CG2-CG2 4.14Å; L542-V546 WeakPolarHBondContact O-CG2 3.37Å; L542-V546 PolarHBondContact O-N 3.35Å; V546-V548 VanDerWaalsContact C-N 3.31Å; V546-V548 HydrophobicContact CB-CG2 4.46Å; V546-V548 HydrophobicContact CG2-CB 4.04Å; V546-V548 HydrophobicContact CG2-CG2 3.7Å; V546-V548 PolarHBondContact O-N 3.41Å
547G93.5Very high94.9Very high28 Ų2845.1 Ų45.129%0.28927%0.268SS..THydrogen-bonded Turntrans55.742.818000000113.4K420 L543 A544 T545K420-G547 PolarHBondContact NZ-O 2.78Å; L543-G547 PolarHBondContact O-N 3.19Å; A544-G547 WeakPolarHBondContact O-CA 3.26Å; A544-G547 PolarHBondContact O-N 3.42Å; T545-G547 PolarHBondContact O-N 3.05Å
548V94.1Very high95Very high32 Ų3242.4 Ų42.419%0.19425%0.249CC..  trans-103.193.4172.9174.70000107.2V417 L543 V546 E550 V551V417-V548 HydrophobicContact CG1-CB 4.21Å; V417-V548 HydrophobicContact CG1-CG1 4.1Å; V417-V548 HydrophobicContact CG1-CG2 4.03Å; L543-V548 HydrophobicContact CD2-CB 4.48Å; L543-V548 HydrophobicContact CD2-CG1 4.48Å; L543-V548 PolarHBondContact O-N 3.49Å; V546-V548 VanDerWaalsContact C-N 3.31Å; V546-V548 HydrophobicContact CB-CG2 4.46Å; V546-V548 HydrophobicContact CG2-CB 4.04Å; V546-V548 HydrophobicContact CG2-CG2 3.7Å; V546-V548 PolarHBondContact O-N 3.41Å; V548-E550 WeakPolarHBondContact CG1-O 3.4Å; V548-V551 HydrophobicContact CG1-CG1 3.86Å
549T94.9Very high95Very high75 Ų7538.1 Ų38.146%0.4622%0.219SC..  trans-86.3-13.7-170.850.90000114.4N404 Y405N404-T549 WeakPolarHBondContact CA-O 3.23Å; N404-T549 PolarHBondContact ND2-O 3Å; N404-T549 VanDerWaalsContact ND2-O 3.11Å; Y405-T549 HydrophobicContact CD1-CG2 4.22Å; Y405-T549 HydrophobicContact CE1-CG2 4.22Å; Y405-T549 PolarHBondContact N-O 2.68Å
550E96.1Very high95.1Very high129 Ų12935.7 Ų35.760%0.60321%0.208SC*.EExtended strand (participates in β ladder)trans-126.9135.7176.5-66-178.1178.100108.5I402 I403 V548I402-E550 HydrophobicContact CG2-CB 4.04Å; I403-E550 VanDerWaalsContact O-CA 3.32Å; I403-E550 WeakPolarHBondContact O-CA 3.48Å; V548-E550 WeakPolarHBondContact CG1-O 3.4Å
551V95.4Very high95.1Very high0 Ų034.7 Ų34.70%020%0.203CC..EExtended strand (participates in β ladder)trans-139.5139-177-74.40000111.4I402 I403 L413 V417 L543 V548 V553I402-V551 WeakPolarHBondContact CA-O 3.46Å; I403-V551 HydrophobicContact CG1-CG2 4.08Å; I403-V551 PolarHBondContact N-O 3.29Å; I403-V551 PolarHBondContact O-N 2.91Å; L413-V551 HydrophobicContact CD2-CB 3.94Å; L413-V551 HydrophobicContact CD2-CG1 4.16Å; L413-V551 HydrophobicContact CD2-CG2 4.34Å; V417-V551 HydrophobicContact CG2-CG1 4.39Å; L543-V551 HydrophobicContact CD1-CG1 3.85Å; L543-V551 HydrophobicContact CD1-CG2 4.21Å; L543-V551 HydrophobicContact CD2-CG1 3.73Å; L543-V551 HydrophobicContact CG-CG1 4.44Å; V548-V551 HydrophobicContact CG1-CG1 3.86Å; V551-V553 HydrophobicContact CG2-CG1 4.03Å
552E96.6Very high95.1Very high64 Ų6433 Ų3330%0.29919%0.186SC..EExtended strand (participates in β ladder)trans-76121.1168.7-162.6-170.1-177.200110.2T400 E401 I402 A414 Q415T400-E552 WeakPolarHBondContact CB-OE1 3.36Å; T400-E552 HydrophobicContact CG2-CG 4.36Å; T400-E552 WeakPolarHBondContact CG2-OE1 3.25Å; T400-E552 PolarHBondContact OG1-OE1 2.85Å; E401-E552 WeakPolarHBondContact O-CA 3.25Å; I402-E552 HydrophobicContact CG1-CB 4.47Å; A414-E552 HydrophobicContact CB-CB 4.49Å; A414-E552 HydrophobicContact CB-CG 4.05Å; A414-E552 PolarHBondContact N-O 3.37Å; Q415-E552 HydrophobicContact CB-CB 4.31Å; Q415-E552 HydrophobicContact CG-CB 4.05Å
553V95.8Very high95Very high0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-126.2165.3179.3-610000111.1T400 E401 I403 R411 V412 L413 M535 V551T400-V553 CarbonylContact C-O 3.52Å; T400-V553 WeakPolarHBondContact CA-O 3.43Å; T400-V553 WeakPolarHBondContact CB-O 3.48Å; E401-V553 HydrophobicContact CG-CG2 4.12Å; E401-V553 PolarHBondContact N-O 3.41Å; E401-V553 PolarHBondContact O-N 2.88Å; I403-V553 HydrophobicContact CD1-CB 4.45Å; I403-V553 HydrophobicContact CD1-CG1 3.93Å; I403-V553 HydrophobicContact CD1-CG2 3.71Å; I403-V553 HydrophobicContact CG1-CG1 4.04Å; I403-V553 HydrophobicContact CG1-CG2 3.75Å; I403-V553 HydrophobicContact CG2-CG2 4Å; R411-V553 HydrophobicContact CB-CB 4.14Å; R411-V553 HydrophobicContact CB-CG1 3.99Å; R411-V553 HydrophobicContact CB-CG2 4.45Å; R411-V553 HydrophobicContact CG-CG2 4.43Å; V412-V553 CarbonylContact O-C 3.37Å; V412-V553 VanDerWaalsContact O-CA 3.25Å; V412-V553 WeakPolarHBondContact O-CA 3.28Å; V412-V553 WeakPolarHBondContact O-CB 3.47Å; L413-V553 HydrophobicContact CD2-CG1 4.37Å; M535-V553 HydrophobicContact CE-CG1 3.71Å; V551-V553 HydrophobicContact CG2-CG1 4.03Å
554Q94.6Very high94.8Very high26 Ų2631.1 Ų31.112%0.12118%0.176CC..EExtended strand (participates in β ladder)trans-72.7143.1166.7-59.5-62.8-3.900111.3L398 R411 V412 Q706L398-Q554 PolarHBondContact O-OE1 2.78Å; R411-Q554 PolarHBondContact NH1-O 3.4Å; V412-Q554 HydrophobicContact CB-CG 4.33Å; V412-Q554 HydrophobicContact CG1-CG 4.48Å; V412-Q554 PolarHBondContact O-N 3.24Å; Q554-Q706 WeakPolarHBondContact CB-O 3.46Å; Q554-Q706 WeakPolarHBondContact CG-O 3.31Å
555K93.4Very high94.5Very high85 Ų8529 Ų2937%0.3716%0.159SC..PPolyproline II helixtrans-63.9145.4174.6-80.5173.3174.8170.80112.1L398 G399 T400 E401L398-K555 HydrophobicContact CB-CB 4.07Å; L398-K555 HydrophobicContact CD1-CB 4.19Å; G399-K555 VanDerWaalsContact O-CB 3.26Å; G399-K555 WeakPolarHBondContact O-CB 3.48Å; G399-K555 VanDerWaalsContact O-CG 3.24Å; G399-K555 WeakPolarHBondContact O-CG 3.46Å; G399-K555 PolarHBondContact O-N 3.5Å; G399-K555 VanDerWaalsContact O-N 3.08Å; T400-K555 WeakPolarHBondContact O-CE 3.26Å; T400-K555 PolarHBondContact O-NZ 2.91Å; E401-K555 HydrophobicContact CB-CG 4.16Å; E401-K555 VanDerWaalsContact CD-CG 3.47Å; E401-K555 HydrophobicContact CG-CG 3.7Å; E401-K555 VanDerWaalsContact OE2-CE 3.29Å; E401-K555 WeakPolarHBondContact OE2-CE 3.29Å; E401-K555 WeakPolarHBondContact OE2-CG 3.37Å
556F94.2Very high94.2Very high32 Ų3228.2 Ų28.214%0.1415%0.152CC..PPolyproline II helixtrans-77.2137163.1-76.2-31.9000110.1G410 R411 G596 Y597 P598 Q706G410-F556 WeakPolarHBondContact O-CE1 3.48Å; R411-F556 HydrophobicContact CG-CZ 4.16Å; R411-F556 VanDerWaalsContact NE-CE2 3.34Å; F556-G596 WeakPolarHBondContact CE2-O 3.4Å; F556-Y597 HydrophobicContact CB-CD1 4.23Å; F556-Y597 AromaticContact CD1-CD1 3.73Å; F556-Y597 HydrophobicContact CD1-CD1 3.73Å; F556-Y597 AromaticContact CD1-CE1 3.84Å; F556-Y597 HydrophobicContact CD1-CE1 3.84Å; F556-Y597 HydrophobicContact CE1-CD1 4.21Å; F556-Y597 HydrophobicContact CE1-CE1 4.1Å; F556-Y597 HydrophobicContact CG-CD1 4.04Å; F556-P598 HydrophobicContact CB-CG 4.35Å; F556-Q706 HydrophobicContact CD1-CG 4Å; F556-Q706 HydrophobicContact CE1-CG 4Å
557P94.5Very high93.9Very high0 Ų029.7 Ų29.70%016%0.158CC..PPolyproline II helixtrans-64.2132.9171.226.6-34.6000111.1L398 Y597 V625 L702 M705L398-P557 HydrophobicContact CD1-CB 3.91Å; P557-Y597 HydrophobicContact CG-CD1 4.01Å; P557-Y597 HydrophobicContact CG-CE1 4.3Å; P557-Y597 HydrophobicContact CG-CG 4.45Å; P557-V625 HydrophobicContact CB-CG2 4.37Å; P557-L702 HydrophobicContact CB-CD2 3.8Å; P557-L702 HydrophobicContact CG-CB 4.01Å; P557-L702 HydrophobicContact CG-CD2 3.47Å; P557-L702 VanDerWaalsContact CG-CD2 3.47Å; P557-L702 HydrophobicContact CG-CG 4.3Å; P557-M705 HydrophobicContact CB-CB 4.1Å; P557-M705 HydrophobicContact CB-CE 3.97Å; P557-M705 HydrophobicContact CB-SD 3.98Å; P557-M705 HydrophobicContact CG-CB 4.08Å
558V95.6Very high93.8Very high41 Ų4129.7 Ų29.725%0.24815%0.151CC..PPolyproline II helixtrans-81.7128.4168.3-176.60000108.9P598 I600 A623 D624 V625V558-P598 HydrophobicContact CG2-CG 4.05Å; V558-I600 HydrophobicContact CG1-CD1 3.66Å; V558-I600 HydrophobicContact CG1-CG1 3.95Å; V558-A623 HydrophobicContact CB-CB 4.4Å; V558-A623 HydrophobicContact CG1-CB 4.06Å; V558-A623 WeakPolarHBondContact O-CB 3.37Å; V558-D624 PolarHBondContact N-OD2 3.38Å; V558-D624 PolarHBondContact O-N 3.46Å; V558-V625 PolarHBondContact O-N 3.04Å; V558-V625 VanDerWaalsContact O-N 3.11Å
559V96.9Very high93.7Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-117.1109.9-172.2-171.60000111.2I561 I592 P598 T599 I600 V625 I627 L702V559-I561 HydrophobicContact CG1-CD1 4.38Å; V559-I561 HydrophobicContact CG1-CG1 4.13Å; V559-I592 HydrophobicContact CB-CG2 4.03Å; V559-I592 HydrophobicContact CG1-CG1 4.37Å; V559-I592 HydrophobicContact CG1-CG2 4.34Å; V559-I592 HydrophobicContact CG2-CG2 3.89Å; V559-P598 PolarHBondContact N-O 2.88Å; V559-T599 CarbonylContact O-C 3.5Å; V559-T599 WeakPolarHBondContact O-CA 3.27Å; V559-I600 PolarHBondContact O-N 3.41Å; V559-V625 CarbonylContact C-O 3.55Å; V559-V625 WeakPolarHBondContact CA-O 3.13Å; V559-V625 HydrophobicContact CG1-CB 4.38Å; V559-V625 HydrophobicContact CG1-CG1 4.42Å; V559-V625 HydrophobicContact CG2-CB 4.37Å; V559-I627 HydrophobicContact CG1-CD1 3.48Å; V559-I627 VanDerWaalsContact CG1-CD1 3.48Å; V559-I627 HydrophobicContact CG1-CG1 3.86Å; V559-L702 HydrophobicContact CG2-CD1 4.02Å; V559-L702 HydrophobicContact CG2-CD2 3.57Å; V559-L702 HydrophobicContact CG2-CG 4.49Å
560A96.6Very high93.6Very high0 Ų028.6 Ų28.60%014%0.141CC..EExtended strand (participates in β ladder)trans-86.3135.9172.500000111.4I600 L602 A623 V625 I626 I627A560-I600 CarbonylContact C-O 3.59Å; A560-I600 WeakPolarHBondContact CA-O 3.29Å; A560-I600 HydrophobicContact CB-CB 4.32Å; A560-L602 HydrophobicContact CB-CD1 3.8Å; A560-L602 HydrophobicContact CB-CG 4.19Å; A560-A623 HydrophobicContact CB-CB 3.56Å; A560-V625 PolarHBondContact N-O 3.03Å; A560-I626 CarbonylContact O-C 3.55Å; A560-I626 WeakPolarHBondContact O-CA 3.5Å; A560-I627 PolarHBondContact O-N 3.24Å
561I95.9Very high93.5Very high0 Ų024.9 Ų24.90%013%0.129CC..EExtended strand (participates in β ladder)trans-129.6127.2-177.1-49.4-167.5000110.7V559 R585 L588 L589 I592 I600 L602 I627V559-I561 HydrophobicContact CG1-CD1 4.38Å; V559-I561 HydrophobicContact CG1-CG1 4.13Å; I561-R585 HydrophobicContact CG2-CG 4.32Å; I561-L588 HydrophobicContact CD1-CB 4.01Å; I561-L588 HydrophobicContact CG2-CB 4.21Å; I561-L588 HydrophobicContact CG2-CD1 4.32Å; I561-L589 HydrophobicContact CB-CD2 4.22Å; I561-L589 HydrophobicContact CB-CG 4.46Å; I561-L589 HydrophobicContact CD1-CD2 3.85Å; I561-L589 HydrophobicContact CD1-CG 4.07Å; I561-L589 HydrophobicContact CG1-CD2 4.14Å; I561-I592 HydrophobicContact CD1-CG1 4.05Å; I561-I600 PolarHBondContact N-O 3.16Å; I561-L602 PolarHBondContact O-N 2.91Å; I561-I627 WeakPolarHBondContact CA-O 3.37Å; I561-I627 HydrophobicContact CD1-CD1 4.1Å; I561-I627 HydrophobicContact CG1-CB 4.26Å; I561-I627 HydrophobicContact CG1-CD1 4.26Å; I561-I627 HydrophobicContact CG2-CB 4.47Å
562M94.7Very high93.4Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-128.8148.1173.665178.37100111.5T564 L602 V605 A615 L616 I626 I627 T628 S629M562-T564 HydrophobicContact CG-CG2 4.48Å; M562-T564 HydrophobicContact SD-CG2 4.33Å; M562-L602 HydrophobicContact CB-CB 4.09Å; M562-L602 HydrophobicContact CE-CD1 3.65Å; M562-V605 HydrophobicContact CB-CG2 4.22Å; M562-V605 HydrophobicContact SD-CG2 4.18Å; M562-A615 HydrophobicContact CE-CB 3.79Å; M562-A615 WeakPolarHBondContact CE-O 3.41Å; M562-A615 HydrophobicContact SD-CB 4.28Å; M562-L616 HydrophobicContact CE-CD2 4.19Å; M562-L616 HydrophobicContact CE-CG 4.41Å; M562-I626 HydrophobicContact CE-CG2 4.21Å; M562-I627 PolarHBondContact N-O 3.28Å; M562-T628 HydrophobicContact CG-CG2 3.72Å; M562-T628 CarbonylContact O-C 3.55Å; M562-T628 WeakPolarHBondContact O-CA 3.25Å; M562-T628 HydrophobicContact SD-CG2 3.71Å; M562-S629 PolarHBondContact O-N 3.03Å
563S93.4Very high93.2Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-105.8142.4164.6-82.20000110D582 G603 I604 V605S563-D582 WeakPolarHBondContact CB-OD1 3.29Å; S563-D582 VanDerWaalsContact CB-OD2 3.27Å; S563-D582 WeakPolarHBondContact CB-OD2 3.38Å; S563-D582 VanDerWaalsContact OG-CG 3.25Å; S563-D582 PolarHBondContact OG-OD1 2.88Å; S563-D582 PolarHBondContact OG-OD2 3.17Å; S563-G603 PolarHBondContact N-O 2.73Å; S563-I604 CarbonylContact O-C 3.46Å; S563-I604 WeakPolarHBondContact O-CA 2.99Å; S563-V605 PolarHBondContact O-N 3.39Å
564T91.3Very high93Very high7 Ų738.3 Ų38.34%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-123.5123.2-177.964.50000109.6M562 V605 L612 S629 G630 G631M562-T564 HydrophobicContact CG-CG2 4.48Å; M562-T564 HydrophobicContact SD-CG2 4.33Å; T564-V605 WeakPolarHBondContact CA-O 3.35Å; T564-V605 HydrophobicContact CG2-CB 4.42Å; T564-L612 HydrophobicContact CG2-CD2 3.5Å; T564-S629 PolarHBondContact N-O 3.39Å; T564-S629 PolarHBondContact OG1-O 3.1Å; T564-G630 WeakPolarHBondContact OG1-CA 2.73Å; T564-G631 PolarHBondContact OG1-N 2.99Å
565G88.8Confident93Very high4 Ų442 Ų424%0.04122%0.217CC..  trans166.3122.4178.400000113.1E567 L568 V605 D607G565-E567 WeakPolarHBondContact CA-OE2 3.17Å; G565-E567 PolarHBondContact O-N 3.33Å; G565-E567 VanDerWaalsContact O-N 3.16Å; G565-L568 WeakPolarHBondContact O-CB 3.42Å; G565-L568 WeakPolarHBondContact O-CG 3.32Å; G565-L568 PolarHBondContact O-N 3.29Å; G565-V605 PolarHBondContact N-O 2.98Å; G565-D607 WeakPolarHBondContact CA-OD1 3.46Å; G565-D607 PolarHBondContact N-OD1 2.89Å
566N88.3Confident92.8Very high59 Ų5943.5 Ų43.532%0.31623%0.225SC..THydrogen-bonded Turntrans-62.4-16.8173.4-80.6-60.4000113.5L568 K579 D607 K637N566-L568 VanDerWaalsContact C-N 3.31Å; N566-K579 PolarHBondContact O-NZ 3.42Å; N566-D607 VanDerWaalsContact CB-OD2 3.29Å; N566-D607 WeakPolarHBondContact CB-OD2 3.26Å; N566-D607 VanDerWaalsContact CG-OD2 3.24Å; N566-D607 PolarHBondContact N-OD2 2.93Å; N566-D607 VanDerWaalsContact ND2-CB 3.32Å; N566-D607 WeakPolarHBondContact ND2-CB 3.4Å; N566-D607 PolarHBondContact ND2-OD2 3.06Å; N566-K637 PolarHBondContact ND2-NZ 3.23Å; N566-K637 VanDerWaalsContact ND2-NZ 3.13Å
567E87.9Confident92.7Very high42 Ų4248.4 Ų48.420%0.19626%0.26CS..THydrogen-bonded Turntrans-77.5-11.6171.865.8-95.2-10900114.1G565 K579 I580 R685G565-E567 WeakPolarHBondContact CA-OE2 3.17Å; G565-E567 PolarHBondContact O-N 3.33Å; G565-E567 VanDerWaalsContact O-N 3.16Å; E567-K579 CarbonylContact O-C 3.59Å; E567-K579 WeakPolarHBondContact O-CA 3.45Å; E567-K579 WeakPolarHBondContact O-CD 3.5Å; E567-I580 HydrophobicContact CG-CD1 4.13Å; E567-I580 HydrophobicContact CG-CG1 4.06Å; E567-I580 PolarHBondContact O-N 3.47Å; E567-R685 IonicContact OE1-CZ 3.48Å; E567-R685 VanDerWaalsContact OE1-CZ 3.29Å; E567-R685 IonicContact OE1-NE 3.64Å; E567-R685 PolarHBondContact OE1-NE 3.14Å; E567-R685 IonicContact OE1-NH2 3.88Å; E567-R685 PolarHBondContact OE1-NH2 3.41Å
568L91.3Very high92.4Very high27 Ų2752 Ų5214%0.14130%0.298CS..EExtended strand (participates in β ladder)trans-83150.7-170.2-57.8179.6000113.3G565 N566 I580 D582 I604G565-L568 WeakPolarHBondContact O-CB 3.42Å; G565-L568 WeakPolarHBondContact O-CG 3.32Å; G565-L568 PolarHBondContact O-N 3.29Å; N566-L568 VanDerWaalsContact C-N 3.31Å; L568-I580 CarbonylContact C-O 3.59Å; L568-I580 WeakPolarHBondContact CA-O 3.44Å; L568-I580 HydrophobicContact CD2-CD1 4.24Å; L568-I580 HydrophobicContact CD2-CG1 3.97Å; L568-D582 HydrophobicContact CD1-CB 4.49Å; L568-D582 HydrophobicContact CD2-CB 4.44Å; L568-I604 HydrophobicContact CB-CD1 4.13Å; L568-I604 HydrophobicContact CB-CG2 3.8Å; L568-I604 HydrophobicContact CD1-CG2 4.24Å
569L92.4Very high92.2Very high31 Ų3153.8 Ų53.816%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-136.5161.8167.2-66.9175.9000108.2D573 D574 K579 I580 R581 D582 I604L569-D573 HydrophobicContact CB-CB 3.94Å; L569-D573 HydrophobicContact CD1-CB 4.48Å; L569-D574 VanDerWaalsContact CD1-O 3.26Å; L569-D574 WeakPolarHBondContact CD1-O 3.48Å; L569-K579 HydrophobicContact CD1-CB 3.55Å; L569-K579 HydrophobicContact CD1-CG 3.94Å; L569-K579 HydrophobicContact CD2-CD 4.48Å; L569-K579 HydrophobicContact CG-CB 3.9Å; L569-K579 HydrophobicContact CG-CD 4.24Å; L569-K579 HydrophobicContact CG-CG 4.12Å; L569-I580 PolarHBondContact N-O 2.93Å; L569-R581 WeakPolarHBondContact O-CA 3.47Å; L569-D582 WeakPolarHBondContact O-CB 3.23Å; L569-D582 PolarHBondContact O-N 2.91Å; L569-I604 WeakPolarHBondContact O-CD1 3.34Å
570N93.1Very high91.9Very high53 Ų5358.1 Ų58.128%0.28332%0.324SS..  trans-73.5161.4177.7-56.9-80.8000111.3E572 D573 R585 I604N570-E572 VanDerWaalsContact CB-OE2 3.22Å; N570-E572 WeakPolarHBondContact CB-OE2 3.45Å; N570-E572 PolarHBondContact O-N 3.44Å; N570-D573 VanDerWaalsContact CB-OD2 3.27Å; N570-D573 WeakPolarHBondContact CB-OD2 3.46Å; N570-D573 PolarHBondContact N-OD2 2.93Å; N570-D573 PolarHBondContact ND2-OD2 2.95Å; N570-D573 PolarHBondContact O-N 3.08Å; N570-D573 VanDerWaalsContact O-N 3.17Å; N570-R585 PolarHBondContact OD1-NH2 3.05Å; N570-I604 HydrophobicContact CB-CD1 4.48Å; N570-I604 WeakPolarHBondContact OD1-CD1 3.23Å
571P92.3Very high91.7Very high52 Ų5262.8 Ų62.834%0.33834%0.342SS..THydrogen-bonded Turntrans-53.5-31.7174.7-28.336.6000114.5R581P571-R581 WeakPolarHBondContact O-CD 3.32Å; P571-R581 PolarHBondContact O-NE 3.02Å
572E93.3Very high91.5Very high158 Ų15863 Ų6374%0.73834%0.343SS*.THydrogen-bonded Turntrans-80.4-20.1-177.4-55.674.7-163.600113.4N570N570-E572 VanDerWaalsContact CB-OE2 3.22Å; N570-E572 WeakPolarHBondContact CB-OE2 3.45Å; N570-E572 PolarHBondContact O-N 3.44Å
573D92.6Very high91.3Very high62 Ų6265 Ų6533%0.33236%0.357SS..SBendtrans-80.1150.1-174.6-68.5-43.8000112.1L569 N570 R581L569-D573 HydrophobicContact CB-CB 3.94Å; L569-D573 HydrophobicContact CD1-CB 4.48Å; N570-D573 VanDerWaalsContact CB-OD2 3.27Å; N570-D573 WeakPolarHBondContact CB-OD2 3.46Å; N570-D573 PolarHBondContact N-OD2 2.93Å; N570-D573 PolarHBondContact ND2-OD2 2.95Å; N570-D573 PolarHBondContact O-N 3.08Å; N570-D573 VanDerWaalsContact O-N 3.17Å; D573-R581 PolarHBondContact O-NE 3.44Å; D573-R581 PolarHBondContact O-NH2 3.03Å
574D92.9Very high91.2Very high126 Ų12665.4 Ų65.467%0.67436%0.359SS*.PPolyproline II helixtrans-78.1147.8172.7-93.1-39.7000114L569 H576 R581L569-D574 VanDerWaalsContact CD1-O 3.26Å; L569-D574 WeakPolarHBondContact CD1-O 3.48Å; D574-H576 PolarHBondContact O-CE1 2.99Å; D574-H576 PolarHBondContact O-N 2.94Å; D574-H576 PolarHBondContact O-ND1 3.02Å; D574-R581 IonicContact OD1-NH2 3.57Å; D574-R581 PolarHBondContact OD1-NH2 3.26Å
575L94.1Very high91.2Very high103 Ų10365.9 Ų65.954%0.53936%0.36SS..PPolyproline II helixtrans-73.5126.6-175.6-72.3177.7000112.1R581L575-R581 HydrophobicContact CD2-CG 3.98Å
576H89.8Confident91.4Very high117 Ų11768.4 Ų68.454%0.54238%0.377SS..  trans-108.7157.6174.9-67.269.1000110.7D574 G578 K579D574-H576 PolarHBondContact O-CE1 2.99Å; D574-H576 PolarHBondContact O-N 2.94Å; D574-H576 PolarHBondContact O-ND1 3.02Å; H576-G578 PolarHBondContact O-N 3Å; H576-K579 HydrophobicContact CB-CB 4.32Å; H576-K579 HydrophobicContact CB-CG 3.93Å; H576-K579 WeakPolarHBondContact O-CB 3.27Å; H576-K579 PolarHBondContact O-N 3.45Å
577P91.8Very high91.5Very high135 Ų13567.3 Ų67.388%0.87737%0.373SS*.THydrogen-bonded Turntrans-53.7126.9177.7-27.836.1000112.8K579P577-K579 VanDerWaalsContact C-N 3.29Å; P577-K579 PolarHBondContact O-N 3.28Å
578G87.2Confident91.7Very high76 Ų7665.3 Ų65.378%0.78436%0.363SS*.THydrogen-bonded Turntrans75.88.8-177.700000115.5H576H576-G578 PolarHBondContact O-N 3Å
579K91.2Very high91.9Very high77 Ų7764.8 Ų64.834%0.33536%0.361SS..  trans-109.3155.3176.6-61.7-67.3-164.3154.50112.9N566 E567 L569 H576 P577N566-K579 PolarHBondContact O-NZ 3.42Å; E567-K579 CarbonylContact O-C 3.59Å; E567-K579 WeakPolarHBondContact O-CA 3.45Å; E567-K579 WeakPolarHBondContact O-CD 3.5Å; L569-K579 HydrophobicContact CD1-CB 3.55Å; L569-K579 HydrophobicContact CD1-CG 3.94Å; L569-K579 HydrophobicContact CD2-CD 4.48Å; L569-K579 HydrophobicContact CG-CB 3.9Å; L569-K579 HydrophobicContact CG-CD 4.24Å; L569-K579 HydrophobicContact CG-CG 4.12Å; H576-K579 HydrophobicContact CB-CB 4.32Å; H576-K579 HydrophobicContact CB-CG 3.93Å; H576-K579 WeakPolarHBondContact O-CB 3.27Å; H576-K579 PolarHBondContact O-N 3.45Å; P577-K579 VanDerWaalsContact C-N 3.29Å; P577-K579 PolarHBondContact O-N 3.28Å
580I91.1Very high91.8Very high91 Ų9165.8 Ų65.847%0.46737%0.373SS..EExtended strand (participates in β ladder)trans-137.2154.3172.161.2176.3000110.6E567 L568 L569E567-I580 HydrophobicContact CG-CD1 4.13Å; E567-I580 HydrophobicContact CG-CG1 4.06Å; E567-I580 PolarHBondContact O-N 3.47Å; L568-I580 CarbonylContact C-O 3.59Å; L568-I580 WeakPolarHBondContact CA-O 3.44Å; L568-I580 HydrophobicContact CD2-CD1 4.24Å; L568-I580 HydrophobicContact CD2-CG1 3.97Å; L569-I580 PolarHBondContact N-O 2.93Å
581R92.3Very high91.7Very high99 Ų9964 Ų6437%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-77.3136174.4-67.3176.9177.7123.6-2.1111.2L569 P571 D573 D574 L575 S583L569-R581 WeakPolarHBondContact O-CA 3.47Å; P571-R581 WeakPolarHBondContact O-CD 3.32Å; P571-R581 PolarHBondContact O-NE 3.02Å; D573-R581 PolarHBondContact O-NE 3.44Å; D573-R581 PolarHBondContact O-NH2 3.03Å; D574-R581 IonicContact OD1-NH2 3.57Å; D574-R581 PolarHBondContact OD1-NH2 3.26Å; L575-R581 HydrophobicContact CD2-CG 3.98Å; R581-S583 PolarHBondContact O-N 2.87Å; R581-S583 VanDerWaalsContact O-N 3.13Å
582D91.6Very high91.8Very high3 Ų361.5 Ų61.52%0.01635%0.348CS..  trans-68.9102.1174.2174.323.3000111S563 L568 L569 N584 R585 I604S563-D582 WeakPolarHBondContact CB-OD1 3.29Å; S563-D582 VanDerWaalsContact CB-OD2 3.27Å; S563-D582 WeakPolarHBondContact CB-OD2 3.38Å; S563-D582 VanDerWaalsContact OG-CG 3.25Å; S563-D582 PolarHBondContact OG-OD1 2.88Å; S563-D582 PolarHBondContact OG-OD2 3.17Å; L568-D582 HydrophobicContact CD1-CB 4.49Å; L568-D582 HydrophobicContact CD2-CB 4.44Å; L569-D582 WeakPolarHBondContact O-CB 3.23Å; L569-D582 PolarHBondContact O-N 2.91Å; D582-N584 PolarHBondContact OD1-N 3.02Å; D582-R585 PolarHBondContact OD1-N 3.09Å; D582-R585 VanDerWaalsContact OD1-N 3.15Å; D582-R585 WeakPolarHBondContact OD2-CB 3.45Å; D582-R585 IonicContact OD2-CZ 2.72Å; D582-R585 IonicContact OD2-NE 3.78Å; D582-R585 PolarHBondContact OD2-NE 3.15Å; D582-R585 IonicContact OD2-NH2 3.37Å; D582-R585 PolarHBondContact OD2-NH2 3.04Å; D582-R585 VanDerWaalsContact OD2-NH2 3.15Å; D582-I604 HydrophobicContact CB-CD1 3.84Å; D582-I604 HydrophobicContact CB-CG1 4.23Å
583S90.6Very high91.7Very high42 Ų4259.1 Ų59.129%0.29434%0.337SS..  trans-96.8-18.117546.20000112.9R581 T587R581-S583 PolarHBondContact O-N 2.87Å; R581-S583 VanDerWaalsContact O-N 3.13Å; S583-T587 WeakPolarHBondContact O-CB 3.37Å; S583-T587 PolarHBondContact O-N 3.47Å; S583-T587 VanDerWaalsContact O-N 3.09Å; S583-T587 PolarHBondContact O-OG1 3.25Å
584N91.2Very high91.6Very high10 Ų1062 Ų625%0.05335%0.348CS..Hα-helixtrans-71.4-46.5-174.8-7016.5000111.2D582 S586 T587 L588 S629 G684 P687D582-N584 PolarHBondContact OD1-N 3.02Å; N584-S586 PolarHBondContact O-N 2.87Å; N584-T587 PolarHBondContact O-N 3.39Å; N584-L588 WeakPolarHBondContact O-CB 3.11Å; N584-L588 VanDerWaalsContact O-CG 3.24Å; N584-L588 WeakPolarHBondContact O-CG 3.22Å; N584-L588 PolarHBondContact O-N 3.18Å; N584-S629 VanDerWaalsContact CB-OG 3.25Å; N584-S629 WeakPolarHBondContact CB-OG 3.39Å; N584-S629 PolarHBondContact ND2-OG 3.05Å; N584-G684 PolarHBondContact ND2-O 2.94Å; N584-P687 VanDerWaalsContact OD1-CA 3.26Å; N584-P687 WeakPolarHBondContact OD1-CA 3.49Å; N584-P687 VanDerWaalsContact OD1-CB 3.3Å; N584-P687 WeakPolarHBondContact OD1-CB 3.45Å; N584-P687 WeakPolarHBondContact OD1-CG 3.44Å
585R92.6Very high91.5Very high17 Ų1758.5 Ų58.56%0.06433%0.328CS..Hα-helixtrans-57.4-49.1179.5-178.3164.851.3109.71.6111.2I561 N570 D582 T587 L588 L589 N601 G603I561-R585 HydrophobicContact CG2-CG 4.32Å; N570-R585 PolarHBondContact OD1-NH2 3.05Å; D582-R585 PolarHBondContact OD1-N 3.09Å; D582-R585 VanDerWaalsContact OD1-N 3.15Å; D582-R585 WeakPolarHBondContact OD2-CB 3.45Å; D582-R585 IonicContact OD2-CZ 2.72Å; D582-R585 IonicContact OD2-NE 3.78Å; D582-R585 PolarHBondContact OD2-NE 3.15Å; D582-R585 IonicContact OD2-NH2 3.37Å; D582-R585 PolarHBondContact OD2-NH2 3.04Å; D582-R585 VanDerWaalsContact OD2-NH2 3.15Å; R585-T587 PolarHBondContact O-N 3.34Å; R585-L588 PolarHBondContact O-N 2.81Å; R585-L589 HydrophobicContact CG-CD1 3.93Å; R585-L589 WeakPolarHBondContact O-CB 3.42Å; R585-L589 WeakPolarHBondContact O-CD1 3.49Å; R585-L589 WeakPolarHBondContact O-CG 3.47Å; R585-L589 PolarHBondContact O-N 3.48Å; R585-N601 WeakPolarHBondContact CD-OD1 3.47Å; R585-N601 PolarHBondContact NH1-ND2 3.4Å; R585-N601 PolarHBondContact NH1-OD1 3.33Å; R585-G603 VanDerWaalsContact CD-O 3.26Å; R585-G603 WeakPolarHBondContact CD-O 3.31Å; R585-G603 PolarHBondContact NE-O 3.32Å
586S92.1Very high91.3Very high56 Ų5655.7 Ų55.739%0.39232%0.324SS..Hα-helixtrans-62.8-40.7177.7-49.80000112.8N584 A590N584-S586 PolarHBondContact O-N 2.87Å; S586-A590 WeakPolarHBondContact O-CB 3.34Å; S586-A590 PolarHBondContact O-N 3.47Å
587T90.5Very high91.5Very high37 Ų3750.5 Ų50.523%0.22730%0.299CS..Hα-helixtrans-70.1-42.1179.2-47.40000111.6S583 N584 R585 A590 T591 V691S583-T587 WeakPolarHBondContact O-CB 3.37Å; S583-T587 PolarHBondContact O-N 3.47Å; S583-T587 VanDerWaalsContact O-N 3.09Å; S583-T587 PolarHBondContact O-OG1 3.25Å; N584-T587 PolarHBondContact O-N 3.39Å; R585-T587 PolarHBondContact O-N 3.34Å; T587-A590 PolarHBondContact O-N 3.3Å; T587-T591 PolarHBondContact O-N 2.87Å; T587-T591 PolarHBondContact O-OG1 2.85Å; T587-T591 VanDerWaalsContact O-OG1 3.13Å; T587-V691 HydrophobicContact CG2-CG2 3.47Å; T587-V691 VanDerWaalsContact CG2-CG2 3.47Å
588L92.7Very high91.7Very high0 Ų047 Ų470%028%0.276CS..Hα-helixtrans-65-45.2176.3-69.4169000111.3I561 N584 R585 A590 T591 I592 I627 L682 A690 C694I561-L588 HydrophobicContact CD1-CB 4.01Å; I561-L588 HydrophobicContact CG2-CB 4.21Å; I561-L588 HydrophobicContact CG2-CD1 4.32Å; N584-L588 WeakPolarHBondContact O-CB 3.11Å; N584-L588 VanDerWaalsContact O-CG 3.24Å; N584-L588 WeakPolarHBondContact O-CG 3.22Å; N584-L588 PolarHBondContact O-N 3.18Å; R585-L588 PolarHBondContact O-N 2.81Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 2.64Å; L588-T591 PolarHBondContact O-N 3.19Å; L588-I592 WeakPolarHBondContact O-CG1 3.26Å; L588-I592 PolarHBondContact O-N 3.49Å; L588-I627 HydrophobicContact CD1-CG2 4.11Å; L588-L682 HydrophobicContact CD1-CD1 4.31Å; L588-L682 HydrophobicContact CD2-CD1 3.97Å; L588-A690 HydrophobicContact CD1-CB 4.4Å; L588-A690 HydrophobicContact CD2-CB 4.42Å; L588-C694 HydrophobicContact CD2-CB 3.54Å
589L93.9Very high92.1Very high16 Ų1645.1 Ų45.18%0.08425%0.25CS..Hα-helixtrans-54.2-47.9173.8-75.2166.2000111I561 R585 I592 Q593 T599 N601I561-L589 HydrophobicContact CB-CD2 4.22Å; I561-L589 HydrophobicContact CB-CG 4.46Å; I561-L589 HydrophobicContact CD1-CD2 3.85Å; I561-L589 HydrophobicContact CD1-CG 4.07Å; I561-L589 HydrophobicContact CG1-CD2 4.14Å; R585-L589 HydrophobicContact CG-CD1 3.93Å; R585-L589 WeakPolarHBondContact O-CB 3.42Å; R585-L589 WeakPolarHBondContact O-CD1 3.49Å; R585-L589 WeakPolarHBondContact O-CG 3.47Å; R585-L589 PolarHBondContact O-N 3.48Å; L589-I592 PolarHBondContact O-N 2.95Å; L589-Q593 WeakPolarHBondContact O-CB 3.38Å; L589-Q593 WeakPolarHBondContact O-CG 3.44Å; L589-Q593 PolarHBondContact O-N 2.78Å; L589-T599 HydrophobicContact CD2-CG2 4.02Å; L589-N601 HydrophobicContact CD1-CB 4.17Å
590A92.2Very high92.3Very high51 Ų5142.8 Ų42.842%0.42124%0.241SC..Hα-helixtrans-61.4-45.7177.400000112.8S586 T587 L588 I592 Q593 E594S586-A590 WeakPolarHBondContact O-CB 3.34Å; S586-A590 PolarHBondContact O-N 3.47Å; T587-A590 PolarHBondContact O-N 3.3Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 2.64Å; A590-I592 VanDerWaalsContact C-N 3.33Å; A590-I592 PolarHBondContact O-N 2.85Å; A590-Q593 PolarHBondContact O-N 3.49Å; A590-E594 WeakPolarHBondContact O-CB 3.43Å; A590-E594 PolarHBondContact O-N 3.29Å
591T90.8Very high92.5Very high15 Ų1542.3 Ų42.39%0.09224%0.239CC..Hα-helixtrans-63-35.9177.3-57.20000112.8T587 L588 H595 I699T587-T591 PolarHBondContact O-N 2.87Å; T587-T591 PolarHBondContact O-OG1 2.85Å; T587-T591 VanDerWaalsContact O-OG1 3.13Å; L588-T591 PolarHBondContact O-N 3.19Å; T591-H595 PolarHBondContact O-CD2 3.23Å; T591-H595 VanDerWaalsContact O-CD2 3.27Å; T591-I699 HydrophobicContact CG2-CD1 4.4Å
592I93.3Very high92.6Very high0 Ų038.7 Ų38.70%023%0.227CC..Hα-helixtrans-72.6-37.3176-60.8-41.8000111.3V559 I561 L588 L589 A590 H595 Y597 T599 I627 V698 I699 L702V559-I592 HydrophobicContact CB-CG2 4.03Å; V559-I592 HydrophobicContact CG1-CG1 4.37Å; V559-I592 HydrophobicContact CG1-CG2 4.34Å; V559-I592 HydrophobicContact CG2-CG2 3.89Å; I561-I592 HydrophobicContact CD1-CG1 4.05Å; L588-I592 WeakPolarHBondContact O-CG1 3.26Å; L588-I592 PolarHBondContact O-N 3.49Å; L589-I592 PolarHBondContact O-N 2.95Å; A590-I592 VanDerWaalsContact C-N 3.33Å; A590-I592 PolarHBondContact O-N 2.85Å; I592-H595 PolarHBondContact O-N 2.68Å; I592-Y597 HydrophobicContact CG2-CD2 4.18Å; I592-Y597 HydrophobicContact CG2-CG 4.48Å; I592-Y597 PolarHBondContact O-N 2.78Å; I592-T599 HydrophobicContact CB-CG2 3.76Å; I592-T599 HydrophobicContact CG2-CG2 3.5Å; I592-T599 VanDerWaalsContact CG2-CG2 3.5Å; I592-I627 HydrophobicContact CD1-CD1 4.33Å; I592-I627 HydrophobicContact CG1-CD1 4.22Å; I592-V698 HydrophobicContact CD1-CG1 4.1Å; I592-I699 HydrophobicContact CD1-CD1 3.47Å; I592-I699 VanDerWaalsContact CD1-CD1 3.47Å; I592-L702 HydrophobicContact CD1-CD1 3.67Å; I592-L702 HydrophobicContact CG2-CD1 4.31Å
593Q92.1Very high92.7Very high108 Ų10839.4 Ų39.451%0.50524%0.235SC..Hα-helixtrans-70.1-32.4176.5-71.9165.53.700113.1L589 A590 H595 G596 T599L589-Q593 WeakPolarHBondContact O-CB 3.38Å; L589-Q593 WeakPolarHBondContact O-CG 3.44Å; L589-Q593 PolarHBondContact O-N 2.78Å; A590-Q593 PolarHBondContact O-N 3.49Å; Q593-H595 PolarHBondContact O-N 3.39Å; Q593-G596 WeakPolarHBondContact O-CA 3.23Å; Q593-G596 PolarHBondContact O-N 3.21Å; Q593-T599 HydrophobicContact CG-CG2 3.89Å; Q593-T599 PolarHBondContact NE2-OG1 3.01Å
594E90.4Very high92.8Very high124 Ų12439.8 Ų39.858%0.57923%0.234SC*.Hα-helixtrans-60.9-28.8174.1-176.2172.3-168.500112.3A590A590-E594 WeakPolarHBondContact O-CB 3.43Å; A590-E594 PolarHBondContact O-N 3.29Å
595H90.1Very high92.9Very high52 Ų5240 Ų4024%0.24124%0.235CC..THydrogen-bonded Turntrans-90.25.8172.1-63.7-51.1000114.2T591 I592 Q593 Y597 I699T591-H595 PolarHBondContact O-CD2 3.23Å; T591-H595 VanDerWaalsContact O-CD2 3.27Å; I592-H595 PolarHBondContact O-N 2.68Å; Q593-H595 PolarHBondContact O-N 3.39Å; H595-Y597 HydrophobicContact CB-CD2 3.67Å; H595-Y597 HydrophobicContact CB-CE2 3.41Å; H595-Y597 VanDerWaalsContact CB-CE2 3.41Å; H595-Y597 PolarHBondContact O-N 2.83Å; H595-I699 VanDerWaalsContact CD2-CD1 3.44Å; H595-I699 WeakPolarHBondContact CD2-CD1 3.46Å
596G90Very high92.7Very high44 Ų4440.2 Ų40.245%0.45424%0.243SC..THydrogen-bonded Turntrans80.45174.800000116F556 Q593F556-G596 WeakPolarHBondContact CE2-O 3.4Å; Q593-G596 WeakPolarHBondContact O-CA 3.23Å; Q593-G596 PolarHBondContact O-N 3.21Å
597Y94.4Very high92.4Very high8 Ų838.2 Ų38.23%0.03123%0.228CC..  trans-80.9141.5-177.2-52.5-60.2000112.5F556 P557 I592 H595 T599 L702 R703 Q706F556-Y597 HydrophobicContact CB-CD1 4.23Å; F556-Y597 AromaticContact CD1-CD1 3.73Å; F556-Y597 HydrophobicContact CD1-CD1 3.73Å; F556-Y597 AromaticContact CD1-CE1 3.84Å; F556-Y597 HydrophobicContact CD1-CE1 3.84Å; F556-Y597 HydrophobicContact CE1-CD1 4.21Å; F556-Y597 HydrophobicContact CE1-CE1 4.1Å; F556-Y597 HydrophobicContact CG-CD1 4.04Å; P557-Y597 HydrophobicContact CG-CD1 4.01Å; P557-Y597 HydrophobicContact CG-CE1 4.3Å; P557-Y597 HydrophobicContact CG-CG 4.45Å; I592-Y597 HydrophobicContact CG2-CD2 4.18Å; I592-Y597 HydrophobicContact CG2-CG 4.48Å; I592-Y597 PolarHBondContact O-N 2.78Å; H595-Y597 HydrophobicContact CB-CD2 3.67Å; H595-Y597 HydrophobicContact CB-CE2 3.41Å; H595-Y597 VanDerWaalsContact CB-CE2 3.41Å; H595-Y597 PolarHBondContact O-N 2.83Å; Y597-T599 PolarHBondContact O-N 2.97Å; Y597-L702 HydrophobicContact CD2-CB 4.05Å; Y597-L702 HydrophobicContact CD2-CD1 3.64Å; Y597-L702 HydrophobicContact CD2-CG 4.43Å; Y597-L702 HydrophobicContact CE1-CB 4.36Å; Y597-L702 HydrophobicContact CE2-CB 3.52Å; Y597-L702 HydrophobicContact CE2-CD1 3.82Å; Y597-L702 HydrophobicContact CE2-CG 4.32Å; Y597-L702 HydrophobicContact CG-CD1 4.43Å; Y597-R703 PolarHBondContact OH-N 3.43Å; Y597-Q706 HydrophobicContact CE1-CB 4.34Å; Y597-Q706 HydrophobicContact CE1-CG 4.47Å; Y597-Q706 PolarHBondContact OH-OE1 2.83Å
598P94.8Very high92.3Very high60 Ų6040.1 Ų40.139%0.3924%0.237SC..  trans-71.1125.4178.327.4-32.4000112.2F556 V558 V559F556-P598 HydrophobicContact CB-CG 4.35Å; V558-P598 HydrophobicContact CG2-CG 4.05Å; V559-P598 PolarHBondContact N-O 2.88Å
599T96Very high92Very high38 Ų3840.8 Ų40.823%0.23324%0.241CC..EExtended strand (participates in β ladder)trans-108.7144.2-176.656.80000113.9V559 L589 I592 Q593 Y597V559-T599 CarbonylContact O-C 3.5Å; V559-T599 WeakPolarHBondContact O-CA 3.27Å; L589-T599 HydrophobicContact CD2-CG2 4.02Å; I592-T599 HydrophobicContact CB-CG2 3.76Å; I592-T599 HydrophobicContact CG2-CG2 3.5Å; I592-T599 VanDerWaalsContact CG2-CG2 3.5Å; Q593-T599 HydrophobicContact CG-CG2 3.89Å; Q593-T599 PolarHBondContact NE2-OG1 3.01Å; Y597-T599 PolarHBondContact O-N 2.97Å
600I96.2Very high91.7Very high27 Ų2742.2 Ų42.214%0.13825%0.249CC..EExtended strand (participates in β ladder)trans-116.2125.9170.1-62-178000109.5V558 V559 A560 I561 L602 R622V558-I600 HydrophobicContact CG1-CD1 3.66Å; V558-I600 HydrophobicContact CG1-CG1 3.95Å; V559-I600 PolarHBondContact O-N 3.41Å; A560-I600 CarbonylContact C-O 3.59Å; A560-I600 WeakPolarHBondContact CA-O 3.29Å; A560-I600 HydrophobicContact CB-CB 4.32Å; I561-I600 PolarHBondContact N-O 3.16Å; I600-L602 HydrophobicContact CG2-CD2 3.96Å; I600-L602 HydrophobicContact CG2-CG 4.38Å; I600-R622 HydrophobicContact CD1-CB 3.7Å; I600-R622 WeakPolarHBondContact CD1-O 3.32Å
601N95.6Very high91.6Very high81 Ų8143.2 Ų43.243%0.43325%0.247SC..EExtended strand (participates in β ladder)trans-92114.6175.6-174.8-20.6000109.1R585 L589 G603R585-N601 WeakPolarHBondContact CD-OD1 3.47Å; R585-N601 PolarHBondContact NH1-ND2 3.4Å; R585-N601 PolarHBondContact NH1-OD1 3.33Å; L589-N601 HydrophobicContact CD1-CB 4.17Å; N601-G603 PolarHBondContact OD1-N 3.3Å
602L93.6Very high91.6Very high24 Ų2442.7 Ų42.713%0.12624%0.243CC..EExtended strand (participates in β ladder)trans-97.88.1178.2-65-179.9000113.1A560 I561 M562 I600 E618A560-L602 HydrophobicContact CB-CD1 3.8Å; A560-L602 HydrophobicContact CB-CG 4.19Å; I561-L602 PolarHBondContact O-N 2.91Å; M562-L602 HydrophobicContact CB-CB 4.09Å; M562-L602 HydrophobicContact CE-CD1 3.65Å; I600-L602 HydrophobicContact CG2-CD2 3.96Å; I600-L602 HydrophobicContact CG2-CG 4.38Å; L602-E618 HydrophobicContact CD2-CG 4.42Å
603G93.1Very high91.5Very high18 Ų1843.1 Ų43.119%0.18625%0.246CC..EExtended strand (participates in β ladder)trans79.6-155.5175.500000115.4S563 R585 N601S563-G603 PolarHBondContact N-O 2.73Å; R585-G603 VanDerWaalsContact CD-O 3.26Å; R585-G603 WeakPolarHBondContact CD-O 3.31Å; R585-G603 PolarHBondContact NE-O 3.32Å; N601-G603 PolarHBondContact OD1-N 3.3Å
604I93.8Very high91.5Very high50 Ų5042.4 Ų42.426%0.25625%0.245SC..EExtended strand (participates in β ladder)trans-106.6130.6174.9-62.6170.2000107.7S563 L568 L569 N570 D582S563-I604 CarbonylContact O-C 3.46Å; S563-I604 WeakPolarHBondContact O-CA 2.99Å; L568-I604 HydrophobicContact CB-CD1 4.13Å; L568-I604 HydrophobicContact CB-CG2 3.8Å; L568-I604 HydrophobicContact CD1-CG2 4.24Å; L569-I604 WeakPolarHBondContact O-CD1 3.34Å; N570-I604 HydrophobicContact CB-CD1 4.48Å; N570-I604 WeakPolarHBondContact OD1-CD1 3.23Å; D582-I604 HydrophobicContact CB-CD1 3.84Å; D582-I604 HydrophobicContact CB-CG1 4.23Å
605V92.9Very high91.6Very high13 Ų1337.2 Ų37.28%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-110.5136.2178-165.40000109.2M562 S563 T564 G565 D611 L612 A615M562-V605 HydrophobicContact CB-CG2 4.22Å; M562-V605 HydrophobicContact SD-CG2 4.18Å; S563-V605 PolarHBondContact O-N 3.39Å; T564-V605 WeakPolarHBondContact CA-O 3.35Å; T564-V605 HydrophobicContact CG2-CB 4.42Å; G565-V605 PolarHBondContact N-O 2.98Å; V605-D611 HydrophobicContact CG1-CB 3.81Å; V605-L612 HydrophobicContact CB-CD2 4.22Å; V605-L612 HydrophobicContact CG1-CD2 3.88Å; V605-L612 HydrophobicContact CG1-CG 4.32Å; V605-A615 HydrophobicContact CG1-CB 4.2Å; V605-A615 HydrophobicContact CG2-CB 3.64Å
606G88.3Confident91.8Very high22 Ų2234.7 Ų34.723%0.22721%0.212CC..  trans-69.5157.7174.400000111.8N608G606-N608 PolarHBondContact O-N 2.84Å
607D86.4Confident91.9Very high15 Ų1536.1 Ų36.18%0.0821%0.209CC..SBendtrans-78.262.2175.4-38.6-59.1000111.2G565 N566 K637 Y639G565-D607 WeakPolarHBondContact CA-OD1 3.46Å; G565-D607 PolarHBondContact N-OD1 2.89Å; N566-D607 VanDerWaalsContact CB-OD2 3.29Å; N566-D607 WeakPolarHBondContact CB-OD2 3.26Å; N566-D607 VanDerWaalsContact CG-OD2 3.24Å; N566-D607 PolarHBondContact N-OD2 2.93Å; N566-D607 VanDerWaalsContact ND2-CB 3.32Å; N566-D607 WeakPolarHBondContact ND2-CB 3.4Å; N566-D607 PolarHBondContact ND2-OD2 3.06Å; D607-K637 HydrophobicContact CB-CB 3.72Å; D607-K637 HydrophobicContact CB-CD 4.11Å; D607-Y639 WeakPolarHBondContact O-CD2 3.17Å; D607-Y639 VanDerWaalsContact O-CE2 3.25Å; D607-Y639 WeakPolarHBondContact O-CE2 3.21Å
608N87.3Confident91.8Very high77 Ų7739.9 Ų39.941%0.41223%0.227SC..  trans-123.5136.7172.6-58.1-44.5000108G606 D610 D611 L612G606-N608 PolarHBondContact O-N 2.84Å; N608-D610 PolarHBondContact O-N 3.15Å; N608-D611 HydrophobicContact CB-CB 4.21Å; N608-D611 WeakPolarHBondContact CB-OD2 3.42Å; N608-D611 PolarHBondContact ND2-OD2 3.04Å; N608-D611 PolarHBondContact O-N 2.89Å; N608-L612 VanDerWaalsContact O-CG 3.29Å; N608-L612 WeakPolarHBondContact O-CG 3.25Å; N608-L612 PolarHBondContact O-N 2.99Å
609P86.6Confident91.7Very high13 Ų1337 Ų378%0.08421%0.208CC..Hα-helixtrans-67.7-34.3-174.328.8-35.9000112.8S363 V365 I367 L612 L613 V643S363-P609 WeakPolarHBondContact OG-CB 3.31Å; V365-P609 HydrophobicContact CB-CB 3.97Å; V365-P609 HydrophobicContact CB-CG 4.31Å; V365-P609 HydrophobicContact CG1-CB 4.39Å; V365-P609 HydrophobicContact CG2-CB 4.38Å; I367-P609 HydrophobicContact CG2-CG 4.18Å; P609-L612 PolarHBondContact O-N 3.42Å; P609-L613 VanDerWaalsContact O-CB 3.23Å; P609-L613 WeakPolarHBondContact O-CB 3.36Å; P609-L613 PolarHBondContact O-N 3.15Å; P609-V643 HydrophobicContact CB-CG2 3.76Å
610D88.6Confident91.5Very high47 Ų4736 Ų3625%0.25120%0.201SC..Hα-helixtrans-62.8-44.9174.5-71.56.1000112H362 S363 N608 L613 N614H362-D610 WeakPolarHBondContact CA-OD1 3.36Å; H362-D610 IonicContact CE1-OD2 3.02Å; H362-D610 IonicContact CG-OD2 2.69Å; H362-D610 IonicContact ND1-OD2 2.8Å; H362-D610 PolarHBondContact ND1-OD2 3.11Å; S363-D610 WeakPolarHBondContact CB-OD1 3.49Å; S363-D610 PolarHBondContact N-OD1 3.02Å; N608-D610 PolarHBondContact O-N 3.15Å; D610-L613 PolarHBondContact O-N 3.18Å; D610-N614 WeakPolarHBondContact O-CB 3.28Å; D610-N614 VanDerWaalsContact O-CG 3.28Å; D610-N614 PolarHBondContact O-N 2.88Å; D610-N614 PolarHBondContact O-ND2 3.44Å
611D90.1Very high91.3Very high71 Ų7139 Ų3938%0.3823%0.225SC..Hα-helixtrans-66.4-42.1179.1-63.5-29.5000111.3V605 N608 N614 A615V605-D611 HydrophobicContact CG1-CB 3.81Å; N608-D611 HydrophobicContact CB-CB 4.21Å; N608-D611 WeakPolarHBondContact CB-OD2 3.42Å; N608-D611 PolarHBondContact ND2-OD2 3.04Å; N608-D611 PolarHBondContact O-N 2.89Å; D611-N614 PolarHBondContact O-N 3.43Å; D611-A615 WeakPolarHBondContact O-CB 3.4Å; D611-A615 PolarHBondContact O-N 2.88Å
612L90.3Very high91.1Very high4 Ų441 Ų412%0.02123%0.226CC..Hα-helixtrans-62.1-44.7174.7-69.1170.8000111.6T564 V605 N608 P609 A615 L616 L640 V643T564-L612 HydrophobicContact CG2-CD2 3.5Å; V605-L612 HydrophobicContact CB-CD2 4.22Å; V605-L612 HydrophobicContact CG1-CD2 3.88Å; V605-L612 HydrophobicContact CG1-CG 4.32Å; N608-L612 VanDerWaalsContact O-CG 3.29Å; N608-L612 WeakPolarHBondContact O-CG 3.25Å; N608-L612 PolarHBondContact O-N 2.99Å; P609-L612 PolarHBondContact O-N 3.42Å; L612-A615 PolarHBondContact O-N 3.4Å; L612-L616 VanDerWaalsContact O-CB 3.3Å; L612-L616 WeakPolarHBondContact O-CB 3.48Å; L612-L616 WeakPolarHBondContact O-CD1 3.21Å; L612-L616 WeakPolarHBondContact O-CG 3.5Å; L612-L616 PolarHBondContact O-N 2.91Å; L612-L640 HydrophobicContact CD2-CD1 4.06Å; L612-V643 HydrophobicContact CB-CG2 4.42Å
613L91.9Very high91.1Very high10 Ų1040 Ų405%0.05222%0.221CC..Hα-helixtrans-62.1-44177.6178.757.7000111.5P609 D610 L616 N617 V643 D647 L648P609-L613 VanDerWaalsContact O-CB 3.23Å; P609-L613 WeakPolarHBondContact O-CB 3.36Å; P609-L613 PolarHBondContact O-N 3.15Å; D610-L613 PolarHBondContact O-N 3.18Å; L613-L616 PolarHBondContact O-N 3.42Å; L613-N617 WeakPolarHBondContact CD1-ND2 3.27Å; L613-N617 WeakPolarHBondContact O-CB 3.38Å; L613-N617 PolarHBondContact O-N 3.33Å; L613-N617 PolarHBondContact O-ND2 3.4Å; L613-V643 HydrophobicContact CB-CG1 4.03Å; L613-V643 HydrophobicContact CD1-CG1 4.29Å; L613-D647 HydrophobicContact CD1-CB 3.83Å; L613-D647 HydrophobicContact CD2-CB 4.05Å; L613-L648 HydrophobicContact CD1-CD1 3.43Å; L613-L648 VanDerWaalsContact CD1-CD1 3.43Å
614N91.9Very high91.2Very high93 Ų9341.2 Ų41.250%0.49722%0.223SC..Hα-helixtrans-62.9-47.3176.5-72.8-41.4000111.9D610 D611 L616 N617 E618D610-N614 WeakPolarHBondContact O-CB 3.28Å; D610-N614 VanDerWaalsContact O-CG 3.28Å; D610-N614 PolarHBondContact O-N 2.88Å; D610-N614 PolarHBondContact O-ND2 3.44Å; D611-N614 PolarHBondContact O-N 3.43Å; N614-L616 PolarHBondContact O-N 3.07Å; N614-N617 PolarHBondContact O-N 3.15Å; N614-E618 PolarHBondContact O-N 2.88Å
615A92.9Very high91.3Very high14 Ų1438.9 Ų38.912%0.11621%0.211CC..Hα-helixtrans-66.1-36.9178.700000112.9M562 V605 D611 L612 E618 G619M562-A615 HydrophobicContact CE-CB 3.79Å; M562-A615 WeakPolarHBondContact CE-O 3.41Å; M562-A615 HydrophobicContact SD-CB 4.28Å; V605-A615 HydrophobicContact CG1-CB 4.2Å; V605-A615 HydrophobicContact CG2-CB 3.64Å; D611-A615 WeakPolarHBondContact O-CB 3.4Å; D611-A615 PolarHBondContact O-N 2.88Å; L612-A615 PolarHBondContact O-N 3.4Å; A615-E618 PolarHBondContact O-N 3.5Å; A615-G619 PolarHBondContact O-N 3.18Å
616L92.5Very high91.4Very high0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-65.4-43.4174.2-74.9166.9000111.2M562 L612 L613 N614 G619 I620 I626 T628 L640 V643 L644 L648M562-L616 HydrophobicContact CE-CD2 4.19Å; M562-L616 HydrophobicContact CE-CG 4.41Å; L612-L616 VanDerWaalsContact O-CB 3.3Å; L612-L616 WeakPolarHBondContact O-CB 3.48Å; L612-L616 WeakPolarHBondContact O-CD1 3.21Å; L612-L616 WeakPolarHBondContact O-CG 3.5Å; L612-L616 PolarHBondContact O-N 2.91Å; L613-L616 PolarHBondContact O-N 3.42Å; N614-L616 PolarHBondContact O-N 3.07Å; L616-G619 PolarHBondContact O-N 2.88Å; L616-I620 WeakPolarHBondContact O-CB 3.35Å; L616-I620 VanDerWaalsContact O-CG1 3.27Å; L616-I620 WeakPolarHBondContact O-CG1 3.4Å; L616-I620 PolarHBondContact O-N 2.79Å; L616-I626 HydrophobicContact CD2-CG2 4.2Å; L616-T628 HydrophobicContact CD2-CG2 4.29Å; L616-L640 HydrophobicContact CD1-CD1 4.11Å; L616-V643 HydrophobicContact CD1-CG1 3.87Å; L616-L644 HydrophobicContact CD1-CD2 4.29Å; L616-L648 HydrophobicContact CB-CD1 4.22Å; L616-L648 HydrophobicContact CB-CD2 4.14Å; L616-L648 HydrophobicContact CD1-CD2 4.19Å
617N92.8Very high91.8Very high74 Ų7437.2 Ų37.240%0.39620%0.197SC..Hα-helixtrans-64.7-38.2175.7-76.3-40.5000112.6L613 N614 I620 S621L613-N617 WeakPolarHBondContact CD1-ND2 3.27Å; L613-N617 WeakPolarHBondContact O-CB 3.38Å; L613-N617 PolarHBondContact O-N 3.33Å; L613-N617 PolarHBondContact O-ND2 3.4Å; N614-N617 PolarHBondContact O-N 3.15Å; N617-I620 PolarHBondContact O-N 3.17Å; N617-S621 PolarHBondContact O-N 2.62Å
618E93.1Very high92.2Very high86 Ų8636.5 Ų36.540%0.40219%0.193SC..Hα-helixtrans-62.3-48.4172.5-160-161.2140.300110.9L602 N614 A615 I620 S621 R622L602-E618 HydrophobicContact CD2-CG 4.42Å; N614-E618 PolarHBondContact O-N 2.88Å; A615-E618 PolarHBondContact O-N 3.5Å; E618-I620 VanDerWaalsContact C-N 3.34Å; E618-I620 PolarHBondContact O-N 3.02Å; E618-S621 PolarHBondContact O-N 3.14Å; E618-S621 VanDerWaalsContact O-N 3.13Å; E618-S621 PolarHBondContact O-OG 3.4Å; E618-R622 WeakPolarHBondContact O-CG 3.37Å; E618-R622 PolarHBondContact O-N 3.12Å; E618-R622 VanDerWaalsContact O-N 3.16Å; E618-R622 VanDerWaalsContact OE1-CD 3.32Å; E618-R622 WeakPolarHBondContact OE1-CD 3.46Å; E618-R622 IonicContact OE1-CZ 2.77Å; E618-R622 IonicContact OE1-NE 3.1Å; E618-R622 IonicContact OE1-NH1 3.91Å; E618-R622 PolarHBondContact OE1-NH1 2.87Å
619G91.8Very high92.3Very high0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-56.5-44.817500000113.1A615 L616 S621 R622 A623A615-G619 PolarHBondContact O-N 3.18Å; L616-G619 PolarHBondContact O-N 2.88Å; G619-S621 VanDerWaalsContact C-N 3.31Å; G619-S621 PolarHBondContact O-N 3.23Å; G619-R622 PolarHBondContact O-N 2.93Å; G619-A623 WeakPolarHBondContact O-CB 3.46Å; G619-A623 PolarHBondContact O-N 3.18Å
620I92.1Very high92.2Very high17 Ų1732.7 Ų32.79%0.08717%0.174CC..Hα-helixtrans-55.1-46.9174.8-78.5165000110.9L616 N617 E618 R622 I626 L648 L670 I672 K677L616-I620 WeakPolarHBondContact O-CB 3.35Å; L616-I620 VanDerWaalsContact O-CG1 3.27Å; L616-I620 WeakPolarHBondContact O-CG1 3.4Å; L616-I620 PolarHBondContact O-N 2.79Å; N617-I620 PolarHBondContact O-N 3.17Å; E618-I620 VanDerWaalsContact C-N 3.34Å; E618-I620 PolarHBondContact O-N 3.02Å; I620-R622 VanDerWaalsContact C-N 3.28Å; I620-R622 PolarHBondContact O-N 2.8Å; I620-I626 HydrophobicContact CB-CD1 4.45Å; I620-I626 HydrophobicContact CG1-CD1 3.7Å; I620-L648 HydrophobicContact CD1-CD1 4.34Å; I620-L648 HydrophobicContact CD1-CD2 3.87Å; I620-L648 HydrophobicContact CD1-CG 4.08Å; I620-L670 HydrophobicContact CD1-CD2 3.46Å; I620-L670 VanDerWaalsContact CD1-CD2 3.46Å; I620-L670 HydrophobicContact CG1-CD2 4.22Å; I620-I672 HydrophobicContact CD1-CD1 4.46Å; I620-I672 HydrophobicContact CG2-CD1 3.48Å; I620-I672 VanDerWaalsContact CG2-CD1 3.48Å; I620-K677 HydrophobicContact CB-CD 4.34Å; I620-K677 HydrophobicContact CG1-CD 4.4Å; I620-K677 HydrophobicContact CG2-CD 3.96Å; I620-K677 WeakPolarHBondContact O-CE 3.2Å; I620-K677 PolarHBondContact O-NZ 2.82Å
621S91.6Very high91.7Very high91 Ų9130.9 Ų30.964%0.63617%0.167SC*.Hα-helixtrans-70.8-21.3-176.672.20000114.1N617 E618 G619N617-S621 PolarHBondContact O-N 2.62Å; E618-S621 PolarHBondContact O-N 3.14Å; E618-S621 VanDerWaalsContact O-N 3.13Å; E618-S621 PolarHBondContact O-OG 3.4Å; G619-S621 VanDerWaalsContact C-N 3.31Å; G619-S621 PolarHBondContact O-N 3.23Å
622R92.3Very high91.2Very high123 Ų12327.8 Ų27.846%0.46415%0.15SC..Hα-helixtrans-113.3-15.9-171.3-62.5178.367-171-2115.1I600 E618 G619 I620I600-R622 HydrophobicContact CD1-CB 3.7Å; I600-R622 WeakPolarHBondContact CD1-O 3.32Å; E618-R622 WeakPolarHBondContact O-CG 3.37Å; E618-R622 PolarHBondContact O-N 3.12Å; E618-R622 VanDerWaalsContact O-N 3.16Å; E618-R622 VanDerWaalsContact OE1-CD 3.32Å; E618-R622 WeakPolarHBondContact OE1-CD 3.46Å; E618-R622 IonicContact OE1-CZ 2.77Å; E618-R622 IonicContact OE1-NE 3.1Å; E618-R622 IonicContact OE1-NH1 3.91Å; E618-R622 PolarHBondContact OE1-NH1 2.87Å; G619-R622 PolarHBondContact O-N 2.93Å; I620-R622 VanDerWaalsContact C-N 3.28Å; I620-R622 PolarHBondContact O-N 2.8Å
623A94.1Very high90.7Very high2 Ų230.9 Ų30.92%0.01717%0.172CC..  trans-142.2160.9-170.200000113.7V558 A560 G619 K677V558-A623 HydrophobicContact CB-CB 4.4Å; V558-A623 HydrophobicContact CG1-CB 4.06Å; V558-A623 WeakPolarHBondContact O-CB 3.37Å; A560-A623 HydrophobicContact CB-CB 3.56Å; G619-A623 WeakPolarHBondContact O-CB 3.46Å; G619-A623 PolarHBondContact O-N 3.18Å; A623-K677 PolarHBondContact O-NZ 3.12Å
624D93.7Very high89.7Confident44 Ų4434.4 Ų34.424%0.23519%0.189CC..SBendtrans-91.4-32175.8-49.9-62.3000111.7V558 K677 L678 M705V558-D624 PolarHBondContact N-OD2 3.38Å; V558-D624 PolarHBondContact O-N 3.46Å; D624-K677 WeakPolarHBondContact O-CA 3.26Å; D624-L678 PolarHBondContact O-N 3.28Å; D624-M705 HydrophobicContact CB-CE 3.68Å
625V95.9Very high88.6Confident0 Ų031.9 Ų31.90%019%0.186CC..EExtended strand (participates in β ladder)trans-122.3136177.2-1750000109.9P557 V558 V559 A560 I627 L678 F680 L702 M705P557-V625 HydrophobicContact CB-CG2 4.37Å; V558-V625 PolarHBondContact O-N 3.04Å; V558-V625 VanDerWaalsContact O-N 3.11Å; V559-V625 CarbonylContact C-O 3.55Å; V559-V625 WeakPolarHBondContact CA-O 3.13Å; V559-V625 HydrophobicContact CG1-CB 4.38Å; V559-V625 HydrophobicContact CG1-CG1 4.42Å; V559-V625 HydrophobicContact CG2-CB 4.37Å; A560-V625 PolarHBondContact N-O 3.03Å; V625-I627 HydrophobicContact CG1-CG1 4.3Å; V625-L678 CarbonylContact C-O 3.57Å; V625-L678 WeakPolarHBondContact CA-O 3.31Å; V625-L678 HydrophobicContact CG1-CB 4.35Å; V625-L678 HydrophobicContact CG2-CB 4.24Å; V625-L678 HydrophobicContact CG2-CD1 4.34Å; V625-F680 HydrophobicContact CG1-CD2 3.69Å; V625-F680 HydrophobicContact CG1-CE2 3.87Å; V625-L702 HydrophobicContact CB-CD2 4.22Å; V625-L702 HydrophobicContact CG1-CD2 4.43Å; V625-L702 HydrophobicContact CG2-CD2 3.69Å; V625-M705 HydrophobicContact CG2-CE 3.65Å; V625-M705 HydrophobicContact CG2-SD 3.32Å; V625-M705 WeakPolarHBondContact CG2-SD 3.3Å
626I96.1Very high87.3Confident0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-117.7126174.9-53.5174000108.4A560 M562 L616 I620 T628 L678 I679 F680A560-I626 CarbonylContact O-C 3.55Å; A560-I626 WeakPolarHBondContact O-CA 3.5Å; M562-I626 HydrophobicContact CE-CG2 4.21Å; L616-I626 HydrophobicContact CD2-CG2 4.2Å; I620-I626 HydrophobicContact CB-CD1 4.45Å; I620-I626 HydrophobicContact CG1-CD1 3.7Å; I626-T628 HydrophobicContact CG2-CG2 4.37Å; I626-L678 PolarHBondContact N-O 3.14Å; I626-I679 HydrophobicContact CB-CG1 4.44Å; I626-I679 HydrophobicContact CB-CG2 4.49Å; I626-I679 HydrophobicContact CD1-CG1 4.45Å; I626-I679 WeakPolarHBondContact O-CA 3.48Å; I626-F680 PolarHBondContact O-N 3.23Å
627I95.9Very high86.3Confident0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-112.7123.8175.2-51.4177.2000108.3V559 A560 I561 M562 L588 I592 V625 F680 L682 V698V559-I627 HydrophobicContact CG1-CD1 3.48Å; V559-I627 VanDerWaalsContact CG1-CD1 3.48Å; V559-I627 HydrophobicContact CG1-CG1 3.86Å; A560-I627 PolarHBondContact O-N 3.24Å; I561-I627 WeakPolarHBondContact CA-O 3.37Å; I561-I627 HydrophobicContact CD1-CD1 4.1Å; I561-I627 HydrophobicContact CG1-CB 4.26Å; I561-I627 HydrophobicContact CG1-CD1 4.26Å; I561-I627 HydrophobicContact CG2-CB 4.47Å; M562-I627 PolarHBondContact N-O 3.28Å; L588-I627 HydrophobicContact CD1-CG2 4.11Å; I592-I627 HydrophobicContact CD1-CD1 4.33Å; I592-I627 HydrophobicContact CG1-CD1 4.22Å; V625-I627 HydrophobicContact CG1-CG1 4.3Å; I627-F680 WeakPolarHBondContact CA-O 3.45Å; I627-L682 HydrophobicContact CG2-CD1 3.58Å; I627-L682 HydrophobicContact CG2-CG 3.95Å; I627-V698 HydrophobicContact CD1-CG1 3.73Å; I627-V698 HydrophobicContact CD1-CG2 4.45Å; I627-V698 HydrophobicContact CG1-CG1 4.47Å
628T94.1Very high85.7Confident0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-111.3152.5170.682.90000110.5M562 L616 I626 L640 F680 A681 L682M562-T628 HydrophobicContact CG-CG2 3.72Å; M562-T628 CarbonylContact O-C 3.55Å; M562-T628 WeakPolarHBondContact O-CA 3.25Å; M562-T628 HydrophobicContact SD-CG2 3.71Å; L616-T628 HydrophobicContact CD2-CG2 4.29Å; I626-T628 HydrophobicContact CG2-CG2 4.37Å; T628-L640 HydrophobicContact CG2-CD1 4.34Å; T628-L640 HydrophobicContact CG2-CD2 4.21Å; T628-L640 WeakPolarHBondContact OG1-CD2 3.44Å; T628-F680 PolarHBondContact N-O 3.36Å; T628-A681 WeakPolarHBondContact OG1-CA 3.4Å; T628-A681 VanDerWaalsContact OG1-CB 3.28Å; T628-A681 WeakPolarHBondContact OG1-CB 3.37Å; T628-L682 WeakPolarHBondContact O-CB 3.49Å; T628-L682 PolarHBondContact O-N 3.46Å
629S91.1Very high85.3Confident3 Ų337 Ų372%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-131.8100.4178.6160.10000110.5M562 T564 N584M562-S629 PolarHBondContact O-N 3.03Å; T564-S629 PolarHBondContact N-O 3.39Å; T564-S629 PolarHBondContact OG1-O 3.1Å; N584-S629 VanDerWaalsContact CB-OG 3.25Å; N584-S629 WeakPolarHBondContact CB-OG 3.39Å; N584-S629 PolarHBondContact ND2-OG 3.05Å
630G83.6Confident85.1Confident8 Ų837 Ų378%0.08220%0.204CC..SBendtrans126.2-173.9-176.600000112.5T564 V632 L682T564-G630 WeakPolarHBondContact OG1-CA 2.73Å; G630-V632 WeakPolarHBondContact O-CG1 3.47Å; G630-V632 PolarHBondContact O-N 3.12Å; G630-L682 PolarHBondContact N-O 3.13Å; G630-L682 VanDerWaalsContact N-O 3.1Å
631G78.4Confident84.8Confident9 Ų937.2 Ų37.29%0.09320%0.204CC..SBendtrans62.410170.100000118.2T564 D638T564-G631 PolarHBondContact OG1-N 2.99Å; G631-D638 VanDerWaalsContact C-OD1 3.29Å; G631-D638 VanDerWaalsContact CA-OD1 3.24Å; G631-D638 WeakPolarHBondContact CA-OD1 3.48Å; G631-D638 CarbonylContact O-C 3.56Å; G631-D638 WeakPolarHBondContact O-CA 3.26Å; G631-D638 WeakPolarHBondContact O-CB 3.3Å
632V78.6Confident84.5Confident5 Ų536.9 Ų36.93%0.0319%0.192CC..  trans-112.11.1-167.3-74.80000116.3G630 L640 K641 P664 A681G630-V632 WeakPolarHBondContact O-CG1 3.47Å; G630-V632 PolarHBondContact O-N 3.12Å; V632-L640 HydrophobicContact CG1-CD2 3.98Å; V632-K641 WeakPolarHBondContact O-CE 3.35Å; V632-K641 PolarHBondContact O-NZ 3.45Å; V632-P664 HydrophobicContact CG2-CB 4.2Å; V632-P664 HydrophobicContact CG2-CG 4.26Å; V632-P664 WeakPolarHBondContact O-CB 3.37Å; V632-A681 HydrophobicContact CG1-CB 3.43Å; V632-A681 VanDerWaalsContact CG1-CB 3.43Å
633S79.4Confident84.3Confident70 Ų7031 Ų3149%0.4917%0.17SC..SBendtrans-88-130.2-173.9-1660000111.9D638S633-D638 WeakPolarHBondContact CA-OD2 3.49Å; S633-D638 WeakPolarHBondContact CB-OD2 3.14Å; S633-D638 PolarHBondContact N-OD2 3.2Å
634M72.1Confident84.1Confident83 Ų8331 Ų3141%0.40917%0.169SC..SBendtrans-128.923.4174.6-61.5-68.1-61.500110.8H374 S377 D638H374-M634 WeakPolarHBondContact O-CE 3.29Å; S377-M634 WeakPolarHBondContact CB-SD 3.32Å; M634-D638 PolarHBondContact N-OD2 3.16Å; M634-D638 VanDerWaalsContact N-OD2 3.09Å
635G67.6Low83.8Confident41 Ų4133.3 Ų33.342%0.42318%0.182SC..SBendtrans-71.7167.4178.900000112.7K637 D638G635-K637 VanDerWaalsContact C-N 3.26Å; G635-K637 PolarHBondContact O-N 3.35Å; G635-D638 WeakPolarHBondContact CA-OD2 3.37Å; G635-D638 PolarHBondContact N-OD2 3.36Å; G635-D638 PolarHBondContact O-N 2.92Å
636E65.8Low83.3Confident108 Ų10836.9 Ų36.951%0.50520%0.2SC..THydrogen-bonded Turntrans-67.8-27.5-177.8-163.6154136.900113.8V370 R373V370-E636 HydrophobicContact CG1-CG 3.97Å; V370-E636 HydrophobicContact CG2-CG 4.4Å; R373-E636 IonicContact CZ-OE2 3.21Å; R373-E636 IonicContact NH1-OE2 3.24Å; R373-E636 PolarHBondContact NH1-OE2 3.03Å
637K71.4Confident82.8Confident104 Ų10438.6 Ų38.645%0.45221%0.209SC..THydrogen-bonded Turntrans-11013.7-177.5-58.7-172.5169.9-169.30113.6N566 D607 G635 Y639N566-K637 PolarHBondContact ND2-NZ 3.23Å; N566-K637 VanDerWaalsContact ND2-NZ 3.13Å; D607-K637 HydrophobicContact CB-CB 3.72Å; D607-K637 HydrophobicContact CB-CD 4.11Å; G635-K637 VanDerWaalsContact C-N 3.26Å; G635-K637 PolarHBondContact O-N 3.35Å; K637-Y639 HydrophobicContact CB-CD2 4.47Å; K637-Y639 HydrophobicContact CB-CE2 3.98Å; K637-Y639 HydrophobicContact CG-CE2 4.33Å; K637-Y639 WeakPolarHBondContact O-CD2 3.41Å; K637-Y639 PolarHBondContact O-N 3.16Å
638D81.8Confident82.4Confident39 Ų3939.2 Ų39.221%0.20921%0.213CC..  trans-78.258.3179.5-75.8-22.1000111.3G631 S633 M634 G635 L640G631-D638 VanDerWaalsContact C-OD1 3.29Å; G631-D638 VanDerWaalsContact CA-OD1 3.24Å; G631-D638 WeakPolarHBondContact CA-OD1 3.48Å; G631-D638 CarbonylContact O-C 3.56Å; G631-D638 WeakPolarHBondContact O-CA 3.26Å; G631-D638 WeakPolarHBondContact O-CB 3.3Å; S633-D638 WeakPolarHBondContact CA-OD2 3.49Å; S633-D638 WeakPolarHBondContact CB-OD2 3.14Å; S633-D638 PolarHBondContact N-OD2 3.2Å; M634-D638 PolarHBondContact N-OD2 3.16Å; M634-D638 VanDerWaalsContact N-OD2 3.09Å; G635-D638 WeakPolarHBondContact CA-OD2 3.37Å; G635-D638 PolarHBondContact N-OD2 3.36Å; G635-D638 PolarHBondContact O-N 2.92Å; D638-L640 VanDerWaalsContact C-N 3.31Å; D638-L640 PolarHBondContact O-N 3.01Å
639Y84.2Confident82Confident31 Ų3146.4 Ų46.412%0.12225%0.246CC..THydrogen-bonded Turntrans-73.8-18.6-173.3-57.2-56.4000113.8V365 I367 D607 K637 K641 Q642 V643V365-Y639 HydrophobicContact CG1-CD1 4.12Å; I367-Y639 HydrophobicContact CB-CE1 4.47Å; I367-Y639 HydrophobicContact CG2-CD1 4.38Å; I367-Y639 HydrophobicContact CG2-CE1 3.76Å; I367-Y639 HydrophobicContact CG2-CE2 4.38Å; D607-Y639 WeakPolarHBondContact O-CD2 3.17Å; D607-Y639 VanDerWaalsContact O-CE2 3.25Å; D607-Y639 WeakPolarHBondContact O-CE2 3.21Å; K637-Y639 HydrophobicContact CB-CD2 4.47Å; K637-Y639 HydrophobicContact CB-CE2 3.98Å; K637-Y639 HydrophobicContact CG-CE2 4.33Å; K637-Y639 WeakPolarHBondContact O-CD2 3.41Å; K637-Y639 PolarHBondContact O-N 3.16Å; Y639-K641 VanDerWaalsContact C-N 3.27Å; Y639-K641 PolarHBondContact O-N 3.05Å; Y639-K641 VanDerWaalsContact O-N 3.16Å; Y639-Q642 WeakPolarHBondContact O-CA 3.28Å; Y639-Q642 WeakPolarHBondContact O-CB 3.43Å; Y639-Q642 PolarHBondContact O-N 2.92Å; Y639-V643 PolarHBondContact O-N 3.4Å
640L87.3Confident82Confident0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-55.3-41.1-170.3-170.481.6000112.7L612 L616 T628 V632 D638 Q642 V643 L644 A681L612-L640 HydrophobicContact CD2-CD1 4.06Å; L616-L640 HydrophobicContact CD1-CD1 4.11Å; T628-L640 HydrophobicContact CG2-CD1 4.34Å; T628-L640 HydrophobicContact CG2-CD2 4.21Å; T628-L640 WeakPolarHBondContact OG1-CD2 3.44Å; V632-L640 HydrophobicContact CG1-CD2 3.98Å; D638-L640 VanDerWaalsContact C-N 3.31Å; D638-L640 PolarHBondContact O-N 3.01Å; L640-Q642 VanDerWaalsContact C-N 3.25Å; L640-Q642 PolarHBondContact O-N 2.83Å; L640-V643 PolarHBondContact O-N 2.91Å; L640-L644 HydrophobicContact CD2-CD1 4.44Å; L640-L644 HydrophobicContact CG-CD1 4.19Å; L640-L644 WeakPolarHBondContact O-CB 3.18Å; L640-L644 VanDerWaalsContact O-CG 3.25Å; L640-L644 WeakPolarHBondContact O-CG 3.33Å; L640-L644 PolarHBondContact O-N 2.94Å; L640-A681 HydrophobicContact CD2-CB 3.48Å; L640-A681 VanDerWaalsContact CD2-CB 3.48Å
641K86.4Confident82.4Confident21 Ų2151.4 Ų51.49%0.09127%0.267CS..Hα-helixtrans-63.8-29.5176.9-77.9173.2168.4172.30113.5F379 V632 Y639 D645 G655 P664 T666F379-K641 HydrophobicContact CD2-CD 4.38Å; F379-K641 HydrophobicContact CE2-CB 4.38Å; F379-K641 HydrophobicContact CE2-CD 4.02Å; F379-K641 HydrophobicContact CE2-CG 4.39Å; V632-K641 WeakPolarHBondContact O-CE 3.35Å; V632-K641 PolarHBondContact O-NZ 3.45Å; Y639-K641 VanDerWaalsContact C-N 3.27Å; Y639-K641 PolarHBondContact O-N 3.05Å; Y639-K641 VanDerWaalsContact O-N 3.16Å; K641-D645 WeakPolarHBondContact O-CB 3.49Å; K641-G655 PolarHBondContact NZ-O 2.78Å; K641-P664 PolarHBondContact NZ-O 3.07Å; K641-T666 WeakPolarHBondContact CE-OG1 3.4Å; K641-T666 HydrophobicContact CG-CG2 4.45Å; K641-T666 PolarHBondContact NZ-OG1 3.3Å; K641-T666 VanDerWaalsContact NZ-OG1 3.12Å
642Q85.4Confident83.1Confident84 Ų8452.2 Ų52.239%0.39327%0.269SS..Hα-helixtrans-81.5-40.6177-60.5-179.8-45.100110.9V365 Y639 L640 L644 D645 I646V365-Q642 HydrophobicContact CG1-CB 4.19Å; V365-Q642 HydrophobicContact CG2-CB 3.81Å; Y639-Q642 WeakPolarHBondContact O-CA 3.28Å; Y639-Q642 WeakPolarHBondContact O-CB 3.43Å; Y639-Q642 PolarHBondContact O-N 2.92Å; L640-Q642 VanDerWaalsContact C-N 3.25Å; L640-Q642 PolarHBondContact O-N 2.83Å; Q642-L644 VanDerWaalsContact C-N 3.34Å; Q642-L644 PolarHBondContact O-N 3.46Å; Q642-D645 PolarHBondContact O-N 3.14Å; Q642-I646 HydrophobicContact CB-CD1 4.2Å; Q642-I646 WeakPolarHBondContact O-CB 3.47Å; Q642-I646 WeakPolarHBondContact O-CG1 3.5Å; Q642-I646 PolarHBondContact O-N 2.69Å
643V88Confident83.8Confident0 Ų054 Ų540%028%0.277CS..Iπ-helixtrans-61.2-42.5174.41780000111.1V365 P609 L612 L613 L616 Y639 L640 D645 D647 L648V365-V643 HydrophobicContact CG2-CG2 4.18Å; P609-V643 HydrophobicContact CB-CG2 3.76Å; L612-V643 HydrophobicContact CB-CG2 4.42Å; L613-V643 HydrophobicContact CB-CG1 4.03Å; L613-V643 HydrophobicContact CD1-CG1 4.29Å; L616-V643 HydrophobicContact CD1-CG1 3.87Å; Y639-V643 PolarHBondContact O-N 3.4Å; L640-V643 PolarHBondContact O-N 2.91Å; V643-D645 PolarHBondContact O-N 3.03Å; V643-D647 HydrophobicContact CG1-CB 4.27Å; V643-D647 WeakPolarHBondContact O-CB 3.38Å; V643-D647 PolarHBondContact O-N 3.34Å; V643-D647 VanDerWaalsContact O-N 3.07Å; V643-L648 PolarHBondContact O-N 2.87Å
644L88.6Confident84.4Confident1 Ų150.9 Ų50.91%0.00525%0.254CS..Iπ-helixtrans-60.4-44.1177.5-72.6168.8000113.2L616 L640 Q642 L648 H649 A650 I652 I679L616-L644 HydrophobicContact CD1-CD2 4.29Å; L640-L644 HydrophobicContact CD2-CD1 4.44Å; L640-L644 HydrophobicContact CG-CD1 4.19Å; L640-L644 WeakPolarHBondContact O-CB 3.18Å; L640-L644 VanDerWaalsContact O-CG 3.25Å; L640-L644 WeakPolarHBondContact O-CG 3.33Å; L640-L644 PolarHBondContact O-N 2.94Å; Q642-L644 VanDerWaalsContact C-N 3.34Å; Q642-L644 PolarHBondContact O-N 3.46Å; L644-L648 HydrophobicContact CD2-CD2 3.89Å; L644-L648 WeakPolarHBondContact O-CB 3.29Å; L644-H649 PolarHBondContact O-N 2.88Å; L644-A650 WeakPolarHBondContact O-CB 3.38Å; L644-A650 PolarHBondContact O-N 2.68Å; L644-I652 HydrophobicContact CB-CD1 4.11Å; L644-I652 HydrophobicContact CB-CG1 4.42Å; L644-I679 HydrophobicContact CD2-CD1 3.66Å; L644-I679 HydrophobicContact CD2-CG2 3.91Å
645D87.5Confident85.2Confident93 Ų9346.9 Ų46.950%0.49724%0.235SC..Iπ-helixtrans-81.5-47.6-176-172.543.2000112.2K641 Q642 V643 H649 I652K641-D645 WeakPolarHBondContact O-CB 3.49Å; Q642-D645 PolarHBondContact O-N 3.14Å; V643-D645 PolarHBondContact O-N 3.03Å; D645-H649 WeakPolarHBondContact O-CA 3.4Å; D645-H649 PolarHBondContact O-ND1 2.86Å; D645-I652 HydrophobicContact CB-CD1 4.08Å
646I86.3Confident86.3Confident74 Ų7448.2 Ų48.238%0.37923%0.227SC..Iπ-helixtrans-88.3-42.4-169.6-55176.9000112.5A364 Q642 H649A364-I646 HydrophobicContact CB-CG2 3.93Å; Q642-I646 HydrophobicContact CB-CD1 4.2Å; Q642-I646 WeakPolarHBondContact O-CB 3.47Å; Q642-I646 WeakPolarHBondContact O-CG1 3.5Å; Q642-I646 PolarHBondContact O-N 2.69Å; I646-H649 PolarHBondContact O-CE1 2.85Å; I646-H649 PolarHBondContact O-ND1 2.83Å
647D86.4Confident87.5Confident36 Ų3643.1 Ų43.119%0.19320%0.203CC..Iπ-helixtrans-98.5-39.5-174.5-57.2-49.8000112.6S363 A364 L613 V643S363-D647 WeakPolarHBondContact CA-OD1 3.31Å; S363-D647 WeakPolarHBondContact CB-OD2 3.33Å; S363-D647 VanDerWaalsContact OG-CG 3.26Å; S363-D647 PolarHBondContact OG-OD1 2.85Å; S363-D647 PolarHBondContact OG-OD2 3.47Å; A364-D647 PolarHBondContact N-OD1 3.36Å; L613-D647 HydrophobicContact CD1-CB 3.83Å; L613-D647 HydrophobicContact CD2-CB 4.05Å; V643-D647 HydrophobicContact CG1-CB 4.27Å; V643-D647 WeakPolarHBondContact O-CB 3.38Å; V643-D647 PolarHBondContact O-N 3.34Å; V643-D647 VanDerWaalsContact O-N 3.07Å
648L85.8Confident88.5Confident14 Ų1442 Ų427%0.07320%0.198CC..SBendtrans-87.8-19.4-179.8-120.969000113.4L613 L616 I620 V643 L644 A650 L670 I679L613-L648 HydrophobicContact CD1-CD1 3.43Å; L613-L648 VanDerWaalsContact CD1-CD1 3.43Å; L616-L648 HydrophobicContact CB-CD1 4.22Å; L616-L648 HydrophobicContact CB-CD2 4.14Å; L616-L648 HydrophobicContact CD1-CD2 4.19Å; I620-L648 HydrophobicContact CD1-CD1 4.34Å; I620-L648 HydrophobicContact CD1-CD2 3.87Å; I620-L648 HydrophobicContact CD1-CG 4.08Å; V643-L648 PolarHBondContact O-N 2.87Å; L644-L648 HydrophobicContact CD2-CD2 3.89Å; L644-L648 WeakPolarHBondContact O-CB 3.29Å; L648-A650 HydrophobicContact CB-CB 4.41Å; L648-A650 PolarHBondContact O-N 3.08Å; L648-L670 HydrophobicContact CD2-CD2 4.05Å; L648-L670 HydrophobicContact CG-CD2 4.01Å; L648-L670 VanDerWaalsContact O-CD1 3.23Å; L648-L670 WeakPolarHBondContact O-CD1 3.4Å; L648-I679 HydrophobicContact CD2-CD1 3.87Å
649H87.3Confident89Confident151 Ų15140.1 Ų40.170%0.69919%0.188SC*.  trans52.131.8-171.7-56.1-33.7000114.1L644 D645 I646L644-H649 PolarHBondContact O-N 2.88Å; D645-H649 WeakPolarHBondContact O-CA 3.4Å; D645-H649 PolarHBondContact O-ND1 2.86Å; I646-H649 PolarHBondContact O-CE1 2.85Å; I646-H649 PolarHBondContact O-ND1 2.83Å
650A90.3Very high89.2Confident1 Ų141.4 Ų41.41%0.00819%0.194CC..  trans-77.4134.3178.800000111.2L644 L648 I652 A668 L670 I679L644-A650 WeakPolarHBondContact O-CB 3.38Å; L644-A650 PolarHBondContact O-N 2.68Å; L648-A650 HydrophobicContact CB-CB 4.41Å; L648-A650 PolarHBondContact O-N 3.08Å; A650-I652 PolarHBondContact O-N 2.89Å; A650-A668 HydrophobicContact CB-CB 4.28Å; A650-L670 HydrophobicContact CB-CB 4.09Å; A650-L670 HydrophobicContact CB-CD1 4.18Å; A650-I679 HydrophobicContact CB-CD1 4.41Å
651Q92.1Very high89.3Confident115 Ų11542.3 Ų42.354%0.53720%0.201SC..EExtended strand (participates in β ladder)trans-73.2102.1178.5-178.3177-13.400110.2H653 A668 T669Q651-H653 VanDerWaalsContact CD-CE1 3.48Å; Q651-H653 PolarHBondContact NE2-CE1 2.93Å; Q651-H653 VanDerWaalsContact NE2-CE1 3.26Å; Q651-H653 PolarHBondContact O-CD2 3.19Å; Q651-H653 PolarHBondContact O-N 2.86Å; Q651-A668 CarbonylContact O-C 3.44Å; Q651-A668 WeakPolarHBondContact O-CA 3.35Å; Q651-A668 WeakPolarHBondContact O-CB 3.2Å; Q651-T669 PolarHBondContact N-O 2.95Å; Q651-T669 PolarHBondContact O-N 3.36Å
652I92.9Very high89.3Confident25 Ų2541.5 Ų41.513%0.12820%0.198CC..EExtended strand (participates in β ladder)trans-76.7109.7173.7-56.6171.6000109.4F379 L644 D645 A650 T666 A668F379-I652 HydrophobicContact CD1-CG2 4.03Å; F379-I652 HydrophobicContact CE1-CB 3.92Å; F379-I652 HydrophobicContact CE1-CD1 4.09Å; F379-I652 HydrophobicContact CE1-CG2 3.53Å; F379-I652 HydrophobicContact CZ-CB 4.4Å; F379-I652 HydrophobicContact CZ-CD1 3.69Å; F379-I652 HydrophobicContact CZ-CG2 4.04Å; L644-I652 HydrophobicContact CB-CD1 4.11Å; L644-I652 HydrophobicContact CB-CG1 4.42Å; D645-I652 HydrophobicContact CB-CD1 4.08Å; A650-I652 PolarHBondContact O-N 2.89Å; I652-T666 HydrophobicContact CG2-CG2 3.89Å; I652-A668 HydrophobicContact CB-CB 4.41Å; I652-A668 HydrophobicContact CG1-CB 3.97Å
653H93.1Very high89.4Confident42 Ų4240.7 Ų40.719%0.19420%0.196CC..EExtended strand (participates in β ladder)trans-79-38.2-179-64.2-75.1000112.6T390 M394 Q651 F667 T669T390-H653 HydrophobicContact CG2-CB 3.82Å; M394-H653 VanDerWaalsContact SD-CE1 3.5Å; Q651-H653 VanDerWaalsContact CD-CE1 3.48Å; Q651-H653 PolarHBondContact NE2-CE1 2.93Å; Q651-H653 VanDerWaalsContact NE2-CE1 3.26Å; Q651-H653 PolarHBondContact O-CD2 3.19Å; Q651-H653 PolarHBondContact O-N 2.86Å; H653-F667 HydrophobicContact CB-CD1 4.03Å; H653-F667 AromaticContact CD2-CD1 3.84Å; H653-F667 AromaticContact CD2-CE1 3.69Å; H653-F667 PolarHBondContact N-O 3.49Å; H653-T669 PolarHBondContact NE2-OG1 3.15Å
654F93.2Very high89.6Confident5 Ų542 Ų422%0.02221%0.205CC..EExtended strand (participates in β ladder)trans-150.3146.3169.257.9-98.9000110.9A387 V391 V657 T666 F667A387-F654 HydrophobicContact CB-CD1 4.14Å; A387-F654 HydrophobicContact CB-CE1 3.74Å; A387-F654 HydrophobicContact CB-CE2 4.24Å; A387-F654 HydrophobicContact CB-CZ 3.79Å; A387-F654 WeakPolarHBondContact O-CE1 3.4Å; V391-F654 HydrophobicContact CG2-CE1 3.93Å; V391-F654 HydrophobicContact CG2-CZ 3.88Å; F654-V657 HydrophobicContact CD2-CG2 3.58Å; F654-V657 HydrophobicContact CE2-CG2 3.53Å; F654-V657 HydrophobicContact CG-CG2 4.49Å; F654-V657 HydrophobicContact CZ-CG2 4.38Å; F654-T666 VanDerWaalsContact O-CA 3.29Å; F654-T666 WeakPolarHBondContact O-CA 3.46Å; F654-T666 WeakPolarHBondContact O-CG2 3.43Å; F654-F667 HydrophobicContact CD1-CB 4.21Å; F654-F667 HydrophobicContact CD1-CD1 4.46Å; F654-F667 HydrophobicContact CD2-CB 4.29Å; F654-F667 HydrophobicContact CE1-CB 3.66Å; F654-F667 AromaticContact CE1-CD1 3.9Å; F654-F667 HydrophobicContact CE1-CD1 3.9Å; F654-F667 HydrophobicContact CE1-CG 4.18Å; F654-F667 HydrophobicContact CE2-CB 3.74Å; F654-F667 HydrophobicContact CZ-CB 3.4Å; F654-F667 HydrophobicContact CZ-CD1 4.39Å; F654-F667 HydrophobicContact CZ-CG 4.22Å; F654-F667 PolarHBondContact O-N 3.22Å
655G88.1Confident89.8Confident0 Ų042 Ų420%021%0.205CC..SBendtrans-118.21.6174.900000114.9K641 T665 T666K641-G655 PolarHBondContact NZ-O 2.78Å; G655-T665 CarbonylContact C-O 3.43Å; G655-T666 WeakPolarHBondContact CA-OG1 3.3Å; G655-T666 PolarHBondContact O-OG1 2.89Å
656R89.6Confident90Very high69 Ų6937.7 Ų37.726%0.2618%0.181SC..  trans-152.9139.8174.9-66.8-169.2-68.4167.6-7.5111.2F379 L381 T382 L663F379-R656 VanDerWaalsContact O-CZ 3.28Å; F379-R656 PolarHBondContact O-NE 3.24Å; F379-R656 PolarHBondContact O-NH2 2.78Å; L381-R656 HydrophobicContact CG-CB 4.3Å; T382-R656 WeakPolarHBondContact CB-O 3.26Å; T382-R656 PolarHBondContact N-O 3.07Å; T382-R656 PolarHBondContact OG1-O 3.03Å; R656-L663 VanDerWaalsContact CA-O 3.27Å; R656-L663 WeakPolarHBondContact CA-O 3.09Å
657V92.8Very high90.5Very high0 Ų034.1 Ų34.10%016%0.163CC..BIsolated β-bridgetrans-125.6139.8177.8-172.40000111.3T382 M384 A387 F654 M659 L663 F697T382-V657 CarbonylContact O-C 3.53Å; T382-V657 WeakPolarHBondContact O-CA 3.31Å; M384-V657 HydrophobicContact SD-CG1 4.3Å; A387-V657 HydrophobicContact CB-CG1 3.98Å; A387-V657 HydrophobicContact CB-CG2 3.89Å; F654-V657 HydrophobicContact CD2-CG2 3.58Å; F654-V657 HydrophobicContact CE2-CG2 3.53Å; F654-V657 HydrophobicContact CG-CG2 4.49Å; F654-V657 HydrophobicContact CZ-CG2 4.38Å; V657-M659 VanDerWaalsContact C-N 3.27Å; V657-M659 HydrophobicContact CB-CG 4.07Å; V657-M659 HydrophobicContact CB-SD 3.88Å; V657-M659 HydrophobicContact CG1-CB 4.31Å; V657-M659 HydrophobicContact CG1-CG 3.97Å; V657-M659 HydrophobicContact CG1-SD 3.75Å; V657-M659 PolarHBondContact O-N 2.87Å; V657-L663 PolarHBondContact N-O 2.75Å; V657-L663 WeakPolarHBondContact O-CA 3.46Å; V657-L663 WeakPolarHBondContact O-CD1 3.37Å; V657-F697 HydrophobicContact CG1-CZ 4.24Å; V657-F697 HydrophobicContact CG2-CZ 4.39Å
658F92.6Very high90.8Very high80 Ų8032.5 Ų32.535%0.35116%0.155SC..SBendtrans-78.173.4178.3-165.7-107.8000110.7L381 T382 P728 R729 P730L381-F658 HydrophobicContact CD2-CB 3.56Å; L381-F658 HydrophobicContact CD2-CD2 3.77Å; L381-F658 HydrophobicContact CD2-CG 4.16Å; T382-F658 WeakPolarHBondContact O-CB 3.22Å; T382-F658 PolarHBondContact O-N 2.88Å; F658-P728 VanDerWaalsContact CE1-O 3.28Å; F658-P728 WeakPolarHBondContact CE1-O 3.4Å; F658-P728 WeakPolarHBondContact CZ-O 3.39Å; F658-R729 HydrophobicContact CD1-CB 4.42Å; F658-R729 HydrophobicContact CD1-CG 4.1Å; F658-R729 HydrophobicContact CD2-CG 3.72Å; F658-R729 HydrophobicContact CE1-CB 4.25Å; F658-R729 HydrophobicContact CE1-CG 3.95Å; F658-R729 HydrophobicContact CE2-CG 3.55Å; F658-R729 HydrophobicContact CG-CG 4.01Å; F658-R729 HydrophobicContact CZ-CB 4.38Å; F658-R729 HydrophobicContact CZ-CG 3.67Å; F658-P730 VanDerWaalsContact O-CD 3.3Å; F658-P730 WeakPolarHBondContact O-CD 3.46Å; F658-P730 VanDerWaalsContact O-CG 3.23Å; F658-P730 WeakPolarHBondContact O-CG 3.45Å
659M91.4Very high91.3Very high0 Ų032 Ų320%015%0.152CC..  trans-147.8159.9-177.366.7-173.4-52.900111.7M384 V657 P661 T693 L696 F697 Y732M384-M659 HydrophobicContact CE-CE 4.49Å; M384-M659 HydrophobicContact SD-CB 4.47Å; M384-M659 HydrophobicContact SD-CE 3.85Å; M384-M659 HydrophobicContact SD-SD 4.1Å; V657-M659 VanDerWaalsContact C-N 3.27Å; V657-M659 HydrophobicContact CB-CG 4.07Å; V657-M659 HydrophobicContact CB-SD 3.88Å; V657-M659 HydrophobicContact CG1-CB 4.31Å; V657-M659 HydrophobicContact CG1-CG 3.97Å; V657-M659 HydrophobicContact CG1-SD 3.75Å; V657-M659 PolarHBondContact O-N 2.87Å; M659-P661 WeakPolarHBondContact CG-O 3.43Å; M659-T693 HydrophobicContact CE-CG2 4.09Å; M659-T693 HydrophobicContact SD-CG2 4.24Å; M659-L696 HydrophobicContact CE-CD1 3.46Å; M659-L696 VanDerWaalsContact CE-CD1 3.46Å; M659-F697 HydrophobicContact CE-CE2 4.02Å; M659-F697 HydrophobicContact CE-CZ 4.34Å; M659-F697 HydrophobicContact SD-CE2 3.69Å; M659-F697 HydrophobicContact SD-CZ 3.92Å; M659-Y732 HydrophobicContact CB-CD2 4.34Å; M659-Y732 HydrophobicContact CB-CE2 3.99Å; M659-Y732 HydrophobicContact CE-CD2 4.06Å; M659-Y732 HydrophobicContact CE-CE2 4.1Å
660K88.8Confident91.5Very high58 Ų5825.6 Ų25.625%0.25212%0.123SC..BIsolated β-bridgetrans-136.7128174.9178.2-178.6171.4-160.30110.5D727 R729 P730 E731 Y732K660-D727 HydrophobicContact CD-CB 3.79Å; K660-D727 WeakPolarHBondContact CD-OD2 3.37Å; K660-D727 WeakPolarHBondContact CE-OD2 3.4Å; K660-D727 IonicContact NZ-OD2 2.68Å; K660-D727 PolarHBondContact NZ-OD2 2.85Å; K660-R729 HydrophobicContact CB-CB 4.35Å; K660-P730 PolarHBondContact N-O 2.93Å; K660-E731 HydrophobicContact CB-CB 4.35Å; K660-E731 HydrophobicContact CB-CG 4.14Å; K660-E731 HydrophobicContact CD-CB 4.46Å; K660-E731 HydrophobicContact CD-CG 3.91Å; K660-E731 WeakPolarHBondContact CD-OE2 3.18Å; K660-E731 WeakPolarHBondContact CE-OE1 3.44Å; K660-E731 VanDerWaalsContact CE-OE2 3.29Å; K660-E731 WeakPolarHBondContact CE-OE2 3.48Å; K660-E731 HydrophobicContact CG-CG 3.96Å; K660-E731 IonicContact NZ-OE1 2.73Å; K660-E731 PolarHBondContact NZ-OE1 2.93Å; K660-E731 VanDerWaalsContact NZ-OE1 3.1Å; K660-E731 IonicContact NZ-OE2 2.68Å; K660-E731 PolarHBondContact NZ-OE2 3.46Å; K660-E731 CarbonylContact O-C 3.59Å; K660-E731 VanDerWaalsContact O-CA 3.29Å; K660-E731 WeakPolarHBondContact O-CA 3.34Å; K660-Y732 PolarHBondContact O-N 2.81Å
661P88Confident91.5Very high20 Ų2029.7 Ų29.713%0.1315%0.145CC..SBendcis-59.9169.9-23.829-34.6000111.9M659 V688 S689 V692M659-P661 WeakPolarHBondContact CG-O 3.43Å; P661-V688 HydrophobicContact CG-CG1 4.19Å; P661-S689 VanDerWaalsContact CB-OG 3.32Å; P661-S689 WeakPolarHBondContact CB-OG 3.32Å; P661-V692 HydrophobicContact CG-CB 4.19Å; P661-V692 HydrophobicContact CG-CG1 4.12Å; P661-V692 HydrophobicContact CG-CG2 4.18Å
662G86.8Confident91.2Very high3 Ų327 Ų273%0.03113%0.134CC..  trans123.61.3171.800000117.4P664 T665G662-P664 VanDerWaalsContact C-CD 3.46Å; G662-P664 VanDerWaalsContact O-N 3.12Å; G662-T665 VanDerWaalsContact O-CB 3.31Å; G662-T665 WeakPolarHBondContact O-CB 3.32Å; G662-T665 PolarHBondContact O-N 2.97Å; G662-T665 PolarHBondContact O-OG1 3.15Å
663L88.6Confident90.6Very high67 Ų6733.9 Ų33.935%0.35117%0.171SC..THydrogen-bonded Turntrans-44.6-45-174.1179.363.5000117.3L381 R656 V657L381-L663 HydrophobicContact CD1-CD1 4.42Å; L381-L663 HydrophobicContact CD2-CD1 4.34Å; L381-L663 HydrophobicContact CG-CD1 4.48Å; R656-L663 VanDerWaalsContact CA-O 3.27Å; R656-L663 WeakPolarHBondContact CA-O 3.09Å; V657-L663 PolarHBondContact N-O 2.75Å; V657-L663 WeakPolarHBondContact O-CA 3.46Å; V657-L663 WeakPolarHBondContact O-CD1 3.37Å
664P90.7Very high89.9Confident29 Ų2935.9 Ų35.919%0.18820%0.202CC..THydrogen-bonded Turntrans-89.16.2-176.336.2-35.3000114.5V632 K641 G662 T666 P683V632-P664 HydrophobicContact CG2-CB 4.2Å; V632-P664 HydrophobicContact CG2-CG 4.26Å; V632-P664 WeakPolarHBondContact O-CB 3.37Å; K641-P664 PolarHBondContact NZ-O 3.07Å; G662-P664 VanDerWaalsContact C-CD 3.46Å; G662-P664 VanDerWaalsContact O-N 3.12Å; P664-T666 PolarHBondContact O-N 3.38Å; P664-T666 PolarHBondContact O-OG1 3.22Å; P664-P683 HydrophobicContact CG-CB 3.77Å; P664-P683 HydrophobicContact CG-CG 3.88Å
665T92.8Very high89.4Confident1 Ų138.1 Ų38.11%0.00622%0.222CC..  trans-54.1134.1-179.7-53.90000110.9G655 G662 L682 T693 F697G655-T665 CarbonylContact C-O 3.43Å; G662-T665 VanDerWaalsContact O-CB 3.31Å; G662-T665 WeakPolarHBondContact O-CB 3.32Å; G662-T665 PolarHBondContact O-N 2.97Å; G662-T665 PolarHBondContact O-OG1 3.15Å; T665-L682 HydrophobicContact CG2-CD2 4.03Å; T665-T693 HydrophobicContact CG2-CG2 4.38Å; T665-T693 VanDerWaalsContact OG1-CG2 3.26Å; T665-T693 WeakPolarHBondContact OG1-CG2 3.3Å; T665-F697 HydrophobicContact CG2-CD2 4.12Å; T665-F697 HydrophobicContact CG2-CE2 4.17Å
666T92.9Very high89.5Confident1 Ų142.4 Ų42.41%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-132.2135.8-170.6-59.50000109.8K641 I652 F654 G655 P664 A681K641-T666 WeakPolarHBondContact CE-OG1 3.4Å; K641-T666 HydrophobicContact CG-CG2 4.45Å; K641-T666 PolarHBondContact NZ-OG1 3.3Å; K641-T666 VanDerWaalsContact NZ-OG1 3.12Å; I652-T666 HydrophobicContact CG2-CG2 3.89Å; F654-T666 VanDerWaalsContact O-CA 3.29Å; F654-T666 WeakPolarHBondContact O-CA 3.46Å; F654-T666 WeakPolarHBondContact O-CG2 3.43Å; G655-T666 WeakPolarHBondContact CA-OG1 3.3Å; G655-T666 PolarHBondContact O-OG1 2.89Å; P664-T666 PolarHBondContact O-N 3.38Å; P664-T666 PolarHBondContact O-OG1 3.22Å; T666-A681 PolarHBondContact N-O 3.19Å; T666-A681 PolarHBondContact O-N 3.04Å
667F95.6Very high89.6Confident0 Ų040.6 Ų40.60%023%0.232CC..EExtended strand (participates in β ladder)trans-128.3130.5179.8172.7-118.3000110V391 M394 H653 F654 T669 L678 I679 F680V391-F667 HydrophobicContact CB-CE1 4.46Å; V391-F667 HydrophobicContact CG2-CB 4.4Å; V391-F667 HydrophobicContact CG2-CD1 3.77Å; V391-F667 HydrophobicContact CG2-CD2 4.21Å; V391-F667 HydrophobicContact CG2-CE1 4.04Å; V391-F667 HydrophobicContact CG2-CE2 4.43Å; V391-F667 HydrophobicContact CG2-CG 3.87Å; V391-F667 HydrophobicContact CG2-CZ 4.35Å; M394-F667 HydrophobicContact CB-CE1 3.98Å; M394-F667 HydrophobicContact CB-CZ 4.13Å; M394-F667 HydrophobicContact CG-CE1 4.36Å; H653-F667 HydrophobicContact CB-CD1 4.03Å; H653-F667 AromaticContact CD2-CD1 3.84Å; H653-F667 AromaticContact CD2-CE1 3.69Å; H653-F667 PolarHBondContact N-O 3.49Å; F654-F667 HydrophobicContact CD1-CB 4.21Å; F654-F667 HydrophobicContact CD1-CD1 4.46Å; F654-F667 HydrophobicContact CD2-CB 4.29Å; F654-F667 HydrophobicContact CE1-CB 3.66Å; F654-F667 AromaticContact CE1-CD1 3.9Å; F654-F667 HydrophobicContact CE1-CD1 3.9Å; F654-F667 HydrophobicContact CE1-CG 4.18Å; F654-F667 HydrophobicContact CE2-CB 3.74Å; F654-F667 HydrophobicContact CZ-CB 3.4Å; F654-F667 HydrophobicContact CZ-CD1 4.39Å; F654-F667 HydrophobicContact CZ-CG 4.22Å; F654-F667 PolarHBondContact O-N 3.22Å; F667-T669 HydrophobicContact CE1-CG2 4.33Å; F667-T669 HydrophobicContact CE2-CG2 4.43Å; F667-T669 HydrophobicContact CZ-CG2 3.84Å; F667-L678 HydrophobicContact CE2-CB 4.33Å; F667-L678 HydrophobicContact CE2-CD2 4.25Å; F667-L678 HydrophobicContact CZ-CD2 4.24Å; F667-I679 WeakPolarHBondContact CA-O 3.13Å; F667-F680 AromaticContact CD2-CD1 3.76Å; F667-F680 HydrophobicContact CD2-CD1 3.76Å; F667-F680 AromaticContact CD2-CE1 3.45Å; F667-F680 HydrophobicContact CD2-CE1 3.45Å; F667-F680 VanDerWaalsContact CD2-CE1 3.45Å; F667-F680 HydrophobicContact CD2-CE2 4.39Å; F667-F680 HydrophobicContact CD2-CG 4.34Å; F667-F680 AromaticContact CD2-CZ 3.8Å; F667-F680 HydrophobicContact CD2-CZ 3.8Å; F667-F680 HydrophobicContact CE2-CD1 4.42Å; F667-F680 AromaticContact CE2-CE1 3.77Å; F667-F680 HydrophobicContact CE2-CE1 3.77Å; F667-F680 HydrophobicContact CE2-CE2 4.17Å; F667-F680 AromaticContact CE2-CZ 3.62Å; F667-F680 HydrophobicContact CE2-CZ 3.62Å; F667-F680 HydrophobicContact CG-CE1 4.31Å
668A94.6Very high89.7Confident1 Ų140.7 Ų40.71%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-136.4155177.400000111.4A650 Q651 I652 I679A650-A668 HydrophobicContact CB-CB 4.28Å; Q651-A668 CarbonylContact O-C 3.44Å; Q651-A668 WeakPolarHBondContact O-CA 3.35Å; Q651-A668 WeakPolarHBondContact O-CB 3.2Å; I652-A668 HydrophobicContact CB-CB 4.41Å; I652-A668 HydrophobicContact CG1-CB 3.97Å; A668-I679 HydrophobicContact CB-CB 4.41Å; A668-I679 PolarHBondContact N-O 3.47Å; A668-I679 PolarHBondContact O-N 3.08Å
669T94.5Very high89.8Confident4 Ų437 Ų373%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-121143.4170.456.10000110.8M394 Q651 H653 F667 R676 K677 L678M394-T669 HydrophobicContact CB-CG2 4.06Å; Q651-T669 PolarHBondContact N-O 2.95Å; Q651-T669 PolarHBondContact O-N 3.36Å; H653-T669 PolarHBondContact NE2-OG1 3.15Å; F667-T669 HydrophobicContact CE1-CG2 4.33Å; F667-T669 HydrophobicContact CE2-CG2 4.43Å; F667-T669 HydrophobicContact CZ-CG2 3.84Å; T669-R676 HydrophobicContact CG2-CG 4.49Å; T669-K677 WeakPolarHBondContact CA-O 3.37Å; T669-L678 HydrophobicContact CG2-CD2 3.77Å
670L92.9Very high90Very high17 Ų1737 Ų379%0.08922%0.216CC..EExtended strand (participates in β ladder)trans-129.3120.2175.8-176.862000109I620 L648 A650 I672 K677 I679I620-L670 HydrophobicContact CD1-CD2 3.46Å; I620-L670 VanDerWaalsContact CD1-CD2 3.46Å; I620-L670 HydrophobicContact CG1-CD2 4.22Å; L648-L670 HydrophobicContact CD2-CD2 4.05Å; L648-L670 HydrophobicContact CG-CD2 4.01Å; L648-L670 VanDerWaalsContact O-CD1 3.23Å; L648-L670 WeakPolarHBondContact O-CD1 3.4Å; A650-L670 HydrophobicContact CB-CB 4.09Å; A650-L670 HydrophobicContact CB-CD1 4.18Å; L670-I672 HydrophobicContact CD2-CD1 3.84Å; L670-I672 HydrophobicContact CD2-CG1 4.23Å; L670-I672 HydrophobicContact CG-CD1 4.08Å; L670-I672 HydrophobicContact CG-CG1 3.9Å; L670-K677 PolarHBondContact N-O 2.77Å; L670-K677 PolarHBondContact O-N 3.38Å; L670-I679 HydrophobicContact CB-CD1 4.5Å
671D89.2Confident90.3Very high87 Ų8734.3 Ų34.347%0.46521%0.205SC..EExtended strand (participates in β ladder)trans-101.4112.8-178.9-67-17.5000109R676D671-R676 WeakPolarHBondContact OD1-CA 3.42Å; D671-R676 WeakPolarHBondContact OD1-CB 3.26Å; D671-R676 VanDerWaalsContact OD1-CG 3.22Å; D671-R676 WeakPolarHBondContact OD1-CG 3.27Å; D671-R676 IonicContact OD1-CZ 3.23Å; D671-R676 IonicContact OD1-NE 2.94Å; D671-R676 PolarHBondContact OD1-NE 3.47Å; D671-R676 IonicContact OD1-NH2 2.68Å; D671-R676 IonicContact OD2-CZ 2.86Å; D671-R676 IonicContact OD2-NE 3.93Å; D671-R676 PolarHBondContact OD2-NE 2.94Å; D671-R676 IonicContact OD2-NH2 2.7Å; D671-R676 PolarHBondContact OD2-NH2 2.86Å
672I85.4Confident90.5Very high58 Ų5833.3 Ų33.330%0.29720%0.199SC..EExtended strand (participates in β ladder)trans-124.3127.7-179-51.3-179.2000108.5I620 L670 G674 A675I620-I672 HydrophobicContact CD1-CD1 4.46Å; I620-I672 HydrophobicContact CG2-CD1 3.48Å; I620-I672 VanDerWaalsContact CG2-CD1 3.48Å; L670-I672 HydrophobicContact CD2-CD1 3.84Å; L670-I672 HydrophobicContact CD2-CG1 4.23Å; L670-I672 HydrophobicContact CG-CD1 4.08Å; L670-I672 HydrophobicContact CG-CG1 3.9Å; I672-G674 PolarHBondContact O-N 3.34Å; I672-A675 PolarHBondContact N-O 3.1Å; I672-A675 WeakPolarHBondContact O-CA 3.04Å; I672-A675 PolarHBondContact O-N 3.01Å
673D82Confident90.6Very high170 Ų17033.6 Ų33.691%0.90920%0.2SC*.THydrogen-bonded Turntrans5128.1178.3-58.5-33.6000114.6A675D673-A675 VanDerWaalsContact C-N 3.33Å
674G78.4Confident89.8Confident83 Ų8331.2 Ų31.286%0.85619%0.192SC*.THydrogen-bonded Turntrans85.6-6.4-176.300000115.2I672I672-G674 PolarHBondContact O-N 3.34Å
675A82.3Confident88.5Confident53 Ų5339.3 Ų39.344%0.43822%0.218SC..EExtended strand (participates in β ladder)trans-91.4123.5172.800000111.1I672 D673I672-A675 PolarHBondContact N-O 3.1Å; I672-A675 WeakPolarHBondContact O-CA 3.04Å; I672-A675 PolarHBondContact O-N 3.01Å; D673-A675 VanDerWaalsContact C-N 3.33Å
676R89.6Confident87.5Confident90 Ų9041.6 Ų41.634%0.3423%0.231SC..EExtended strand (participates in β ladder)trans-84.4125.7174.2177160.9-68.3173.22.2111.1M394 T669 D671 L678M394-R676 WeakPolarHBondContact O-CD 3.48Å; M394-R676 PolarHBondContact O-NH1 3.47Å; M394-R676 VanDerWaalsContact O-NH1 3.08Å; T669-R676 HydrophobicContact CG2-CG 4.49Å; D671-R676 WeakPolarHBondContact OD1-CA 3.42Å; D671-R676 WeakPolarHBondContact OD1-CB 3.26Å; D671-R676 VanDerWaalsContact OD1-CG 3.22Å; D671-R676 WeakPolarHBondContact OD1-CG 3.27Å; D671-R676 IonicContact OD1-CZ 3.23Å; D671-R676 IonicContact OD1-NE 2.94Å; D671-R676 PolarHBondContact OD1-NE 3.47Å; D671-R676 IonicContact OD1-NH2 2.68Å; D671-R676 IonicContact OD2-CZ 2.86Å; D671-R676 IonicContact OD2-NE 3.93Å; D671-R676 PolarHBondContact OD2-NE 2.94Å; D671-R676 IonicContact OD2-NH2 2.7Å; D671-R676 PolarHBondContact OD2-NH2 2.86Å; R676-L678 HydrophobicContact CG-CD2 4.17Å
677K92.3Very high86.7Confident31 Ų3142.4 Ų42.414%0.13524%0.236CC..EExtended strand (participates in β ladder)trans-109.3142.7172.1-65.4178-178.3-70.40110.6I620 A623 D624 T669 L670I620-K677 HydrophobicContact CB-CD 4.34Å; I620-K677 HydrophobicContact CG1-CD 4.4Å; I620-K677 HydrophobicContact CG2-CD 3.96Å; I620-K677 WeakPolarHBondContact O-CE 3.2Å; I620-K677 PolarHBondContact O-NZ 2.82Å; A623-K677 PolarHBondContact O-NZ 3.12Å; D624-K677 WeakPolarHBondContact O-CA 3.26Å; T669-K677 WeakPolarHBondContact CA-O 3.37Å; L670-K677 PolarHBondContact N-O 2.77Å; L670-K677 PolarHBondContact O-N 3.38Å
678L94.8Very high86Confident2 Ų242.5 Ų42.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-104.4135.5-178.6-53.3-173.9000110.5T395 D624 V625 I626 F667 T669 R676 F680 A701 M705T395-L678 HydrophobicContact CG2-CD1 3.95Å; T395-L678 WeakPolarHBondContact OG1-CD1 3.46Å; D624-L678 PolarHBondContact O-N 3.28Å; V625-L678 CarbonylContact C-O 3.57Å; V625-L678 WeakPolarHBondContact CA-O 3.31Å; V625-L678 HydrophobicContact CG1-CB 4.35Å; V625-L678 HydrophobicContact CG2-CB 4.24Å; V625-L678 HydrophobicContact CG2-CD1 4.34Å; I626-L678 PolarHBondContact N-O 3.14Å; F667-L678 HydrophobicContact CE2-CB 4.33Å; F667-L678 HydrophobicContact CE2-CD2 4.25Å; F667-L678 HydrophobicContact CZ-CD2 4.24Å; T669-L678 HydrophobicContact CG2-CD2 3.77Å; R676-L678 HydrophobicContact CG-CD2 4.17Å; L678-F680 HydrophobicContact CB-CD2 4.42Å; L678-F680 HydrophobicContact CB-CE2 3.85Å; L678-F680 HydrophobicContact CD1-CE2 4.07Å; L678-F680 HydrophobicContact CD1-CZ 4.36Å; L678-A701 HydrophobicContact CD1-CB 4.28Å; L678-M705 HydrophobicContact CD1-CE 4.45Å; L678-M705 HydrophobicContact CD1-SD 3.62Å; L678-M705 HydrophobicContact CG-SD 4.36Å
679I95.4Very high85.6Confident1 Ų142.6 Ų42.61%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-123.7115.1177.6-50.8178.7000109.2I626 L644 L648 A650 F667 A668 L670I626-I679 HydrophobicContact CB-CG1 4.44Å; I626-I679 HydrophobicContact CB-CG2 4.49Å; I626-I679 HydrophobicContact CD1-CG1 4.45Å; I626-I679 WeakPolarHBondContact O-CA 3.48Å; L644-I679 HydrophobicContact CD2-CD1 3.66Å; L644-I679 HydrophobicContact CD2-CG2 3.91Å; L648-I679 HydrophobicContact CD2-CD1 3.87Å; A650-I679 HydrophobicContact CB-CD1 4.41Å; F667-I679 WeakPolarHBondContact CA-O 3.13Å; A668-I679 HydrophobicContact CB-CB 4.41Å; A668-I679 PolarHBondContact N-O 3.47Å; A668-I679 PolarHBondContact O-N 3.08Å; L670-I679 HydrophobicContact CB-CD1 4.5Å
680F95.6Very high85.3Confident1 Ų142.5 Ų42.50%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-108.6111.5175.5-65.7-87.1000109.5V391 V625 I626 I627 T628 F667 L678 L682 F697 V698 A701V391-F680 HydrophobicContact CG1-CE1 3.89Å; V391-F680 HydrophobicContact CG1-CZ 3.91Å; V391-F680 HydrophobicContact CG2-CE1 4.03Å; V625-F680 HydrophobicContact CG1-CD2 3.69Å; V625-F680 HydrophobicContact CG1-CE2 3.87Å; I626-F680 PolarHBondContact O-N 3.23Å; I627-F680 WeakPolarHBondContact CA-O 3.45Å; T628-F680 PolarHBondContact N-O 3.36Å; F667-F680 AromaticContact CD2-CD1 3.76Å; F667-F680 HydrophobicContact CD2-CD1 3.76Å; F667-F680 AromaticContact CD2-CE1 3.45Å; F667-F680 HydrophobicContact CD2-CE1 3.45Å; F667-F680 VanDerWaalsContact CD2-CE1 3.45Å; F667-F680 HydrophobicContact CD2-CE2 4.39Å; F667-F680 HydrophobicContact CD2-CG 4.34Å; F667-F680 AromaticContact CD2-CZ 3.8Å; F667-F680 HydrophobicContact CD2-CZ 3.8Å; F667-F680 HydrophobicContact CE2-CD1 4.42Å; F667-F680 AromaticContact CE2-CE1 3.77Å; F667-F680 HydrophobicContact CE2-CE1 3.77Å; F667-F680 HydrophobicContact CE2-CE2 4.17Å; F667-F680 AromaticContact CE2-CZ 3.62Å; F667-F680 HydrophobicContact CE2-CZ 3.62Å; F667-F680 HydrophobicContact CG-CE1 4.31Å; L678-F680 HydrophobicContact CB-CD2 4.42Å; L678-F680 HydrophobicContact CB-CE2 3.85Å; L678-F680 HydrophobicContact CD1-CE2 4.07Å; L678-F680 HydrophobicContact CD1-CZ 4.36Å; F680-L682 HydrophobicContact CB-CD2 4.14Å; F680-F697 HydrophobicContact CD1-CB 4.48Å; F680-F697 HydrophobicContact CE1-CB 4.18Å; F680-V698 HydrophobicContact CB-CG2 4Å; F680-V698 HydrophobicContact CD1-CG2 3.92Å; F680-V698 HydrophobicContact CD2-CG2 4.07Å; F680-V698 HydrophobicContact CE1-CG2 4.4Å; F680-V698 HydrophobicContact CG-CG2 3.74Å; F680-A701 HydrophobicContact CE2-CB 4.17Å; F680-A701 HydrophobicContact CZ-CB 3.64Å
681A93.4Very high85Confident1 Ų141.9 Ų41.91%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-104.3108.5177.100000110T628 V632 L640 T666T628-A681 WeakPolarHBondContact OG1-CA 3.4Å; T628-A681 VanDerWaalsContact OG1-CB 3.28Å; T628-A681 WeakPolarHBondContact OG1-CB 3.37Å; V632-A681 HydrophobicContact CG1-CB 3.43Å; V632-A681 VanDerWaalsContact CG1-CB 3.43Å; L640-A681 HydrophobicContact CD2-CB 3.48Å; L640-A681 VanDerWaalsContact CD2-CB 3.48Å; T666-A681 PolarHBondContact N-O 3.19Å; T666-A681 PolarHBondContact O-N 3.04Å
682L93.1Very high85Confident0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-101.1158-167-52.2-173.3000112.3L588 I627 T628 G630 T665 F680 G684 C694L588-L682 HydrophobicContact CD1-CD1 4.31Å; L588-L682 HydrophobicContact CD2-CD1 3.97Å; I627-L682 HydrophobicContact CG2-CD1 3.58Å; I627-L682 HydrophobicContact CG2-CG 3.95Å; T628-L682 WeakPolarHBondContact O-CB 3.49Å; T628-L682 PolarHBondContact O-N 3.46Å; G630-L682 PolarHBondContact N-O 3.13Å; G630-L682 VanDerWaalsContact N-O 3.1Å; T665-L682 HydrophobicContact CG2-CD2 4.03Å; F680-L682 HydrophobicContact CB-CD2 4.14Å; L682-G684 PolarHBondContact O-N 3.23Å; L682-G684 VanDerWaalsContact O-N 3.1Å; L682-C694 HydrophobicContact CD1-CB 4.18Å
683P88.3Confident85.4Confident9 Ų935.1 Ų35.16%0.05820%0.198CC..  trans-74.9102.8-173-14.230.7000113.2P664P664-P683 HydrophobicContact CG-CB 3.77Å; P664-P683 HydrophobicContact CG-CG 3.88Å
684G72.3Confident85.9Confident17 Ų1727 Ų2718%0.17516%0.155CC..THydrogen-bonded Turntrans-66-48.7-171.300000117N584 L682 N686N584-G684 PolarHBondContact ND2-O 2.94Å; L682-G684 PolarHBondContact O-N 3.23Å; L682-G684 VanDerWaalsContact O-N 3.1Å; G684-N686 PolarHBondContact O-N 3.5Å
685R62.5Low86.6Confident199 Ų19923.5 Ų23.575%0.75112%0.116SC*.THydrogen-bonded Turntrans-63.5-0.6-173.6-88.1-168.6170.8-159.3-3.7116.5E567E567-R685 IonicContact OE1-CZ 3.48Å; E567-R685 VanDerWaalsContact OE1-CZ 3.29Å; E567-R685 IonicContact OE1-NE 3.64Å; E567-R685 PolarHBondContact OE1-NE 3.14Å; E567-R685 IonicContact OE1-NH2 3.88Å; E567-R685 PolarHBondContact OE1-NH2 3.41Å
686N71.7Confident87.1Confident49 Ų4921.2 Ų21.226%0.26210%0.096SC..  trans-137.996-175.8-78.8-59.4000108.9G684 V688 S689 A690 S756 S757G684-N686 PolarHBondContact O-N 3.5Å; N686-V688 PolarHBondContact O-N 2.96Å; N686-V688 VanDerWaalsContact O-N 3.11Å; N686-S689 WeakPolarHBondContact CB-OG 3.37Å; N686-S689 WeakPolarHBondContact O-CA 3.42Å; N686-S689 VanDerWaalsContact O-CB 3.26Å; N686-S689 WeakPolarHBondContact O-CB 3.42Å; N686-S689 PolarHBondContact O-N 2.79Å; N686-A690 PolarHBondContact O-N 2.87Å; N686-S756 CarbonylContact C-O 3.58Å; N686-S756 VanDerWaalsContact CA-O 3.31Å; N686-S756 WeakPolarHBondContact CA-O 3.46Å; N686-S756 WeakPolarHBondContact CB-O 3.37Å; N686-S756 PolarHBondContact ND2-OG 2.96Å; N686-S756 VanDerWaalsContact OD1-CB 3.31Å; N686-S756 WeakPolarHBondContact OD1-CB 3.5Å; N686-S756 PolarHBondContact OD1-O 2.96Å; N686-S756 PolarHBondContact OD1-OG 3.02Å; N686-S757 PolarHBondContact OD1-N 3Å
687P76.8Confident87.3Confident18 Ų1817 Ų1712%0.1178%0.08CC..Hα-helixtrans-54.6-35.9-176.1-27.734.5000113.5N584 S689 A690 V691 L759N584-P687 VanDerWaalsContact OD1-CA 3.26Å; N584-P687 WeakPolarHBondContact OD1-CA 3.49Å; N584-P687 VanDerWaalsContact OD1-CB 3.3Å; N584-P687 WeakPolarHBondContact OD1-CB 3.45Å; N584-P687 WeakPolarHBondContact OD1-CG 3.44Å; P687-S689 VanDerWaalsContact C-N 3.29Å; P687-S689 PolarHBondContact O-N 3.26Å; P687-A690 PolarHBondContact O-N 3.33Å; P687-V691 PolarHBondContact O-N 2.96Å; P687-L759 HydrophobicContact CB-CB 4.18Å; P687-L759 HydrophobicContact CB-CD1 3.92Å; P687-L759 HydrophobicContact CB-CD2 4.33Å; P687-L759 HydrophobicContact CB-CG 4.37Å
688V81.4Confident87.5Confident1 Ų115.5 Ų15.51%0.0067%0.074CC..Hα-helixtrans-58.4-40.8173.4-179.10000111.9P661 N686 V691 V692 S756P661-V688 HydrophobicContact CG-CG1 4.19Å; N686-V688 PolarHBondContact O-N 2.96Å; N686-V688 VanDerWaalsContact O-N 3.11Å; V688-V691 PolarHBondContact O-N 2.73Å; V688-V692 HydrophobicContact CG1-CG2 4.06Å; V688-V692 VanDerWaalsContact O-CB 3.32Å; V688-V692 WeakPolarHBondContact O-CB 3.41Å; V688-V692 VanDerWaalsContact O-CG2 3.23Å; V688-V692 WeakPolarHBondContact O-CG2 3.45Å; V688-V692 PolarHBondContact O-N 3.41Å; V688-S756 VanDerWaalsContact CB-O 3.27Å; V688-S756 WeakPolarHBondContact CB-O 3.46Å; V688-S756 WeakPolarHBondContact CG2-O 3.48Å; V688-S756 PolarHBondContact N-O 2.79Å
689S86.1Confident87.5Confident4 Ų415.6 Ų15.63%0.0288%0.075CC..Hα-helixtrans-66.8-40.5-177.7-55.20000111.4P661 N686 P687 T693P661-S689 VanDerWaalsContact CB-OG 3.32Å; P661-S689 WeakPolarHBondContact CB-OG 3.32Å; N686-S689 WeakPolarHBondContact CB-OG 3.37Å; N686-S689 WeakPolarHBondContact O-CA 3.42Å; N686-S689 VanDerWaalsContact O-CB 3.26Å; N686-S689 WeakPolarHBondContact O-CB 3.42Å; N686-S689 PolarHBondContact O-N 2.79Å; P687-S689 VanDerWaalsContact C-N 3.29Å; P687-S689 PolarHBondContact O-N 3.26Å; S689-T693 WeakPolarHBondContact O-CB 3.2Å; S689-T693 VanDerWaalsContact O-CG2 3.26Å; S689-T693 WeakPolarHBondContact O-CG2 3.45Å; S689-T693 PolarHBondContact O-N 2.88Å; S689-T693 PolarHBondContact O-OG1 2.81Å
690A87.4Confident87.5Confident1 Ų115.6 Ų15.61%0.0088%0.075CC..Hα-helixtrans-61.5-48.7176.100000111.3L588 N686 P687 T693 C694L588-A690 HydrophobicContact CD1-CB 4.4Å; L588-A690 HydrophobicContact CD2-CB 4.42Å; N686-A690 PolarHBondContact O-N 2.87Å; P687-A690 PolarHBondContact O-N 3.33Å; A690-T693 PolarHBondContact O-N 3.01Å; A690-T693 PolarHBondContact O-OG1 2.96Å; A690-C694 WeakPolarHBondContact O-CB 3.27Å; A690-C694 PolarHBondContact O-N 3.45Å
691V87.1Confident87.4Confident5 Ų515.6 Ų15.63%0.038%0.075CC..Hα-helixtrans-68.4-41.8-178.7-175.20000112.4T587 P687 V688 C694 N695 M762T587-V691 HydrophobicContact CG2-CG2 3.47Å; T587-V691 VanDerWaalsContact CG2-CG2 3.47Å; P687-V691 PolarHBondContact O-N 2.96Å; V688-V691 PolarHBondContact O-N 2.73Å; V691-C694 PolarHBondContact O-N 3.15Å; V691-N695 WeakPolarHBondContact O-CB 3.43Å; V691-N695 PolarHBondContact O-N 2.8Å; V691-N695 PolarHBondContact O-ND2 2.77Å; V691-M762 HydrophobicContact CB-CE 4.32Å; V691-M762 HydrophobicContact CB-SD 4.26Å; V691-M762 HydrophobicContact CG1-CE 3.6Å; V691-M762 HydrophobicContact CG1-SD 4.2Å
692V90.4Very high87.5Confident2 Ų215.5 Ų15.51%0.0127%0.074CC..Hα-helixtrans-62.1-44.2177166.60000111.2P661 V688 N695 L696 Y732 L768P661-V692 HydrophobicContact CG-CB 4.19Å; P661-V692 HydrophobicContact CG-CG1 4.12Å; P661-V692 HydrophobicContact CG-CG2 4.18Å; V688-V692 HydrophobicContact CG1-CG2 4.06Å; V688-V692 VanDerWaalsContact O-CB 3.32Å; V688-V692 WeakPolarHBondContact O-CB 3.41Å; V688-V692 VanDerWaalsContact O-CG2 3.23Å; V688-V692 WeakPolarHBondContact O-CG2 3.45Å; V688-V692 PolarHBondContact O-N 3.41Å; V692-N695 PolarHBondContact O-N 2.93Å; V692-L696 HydrophobicContact CG1-CD1 3.68Å; V692-L696 WeakPolarHBondContact O-CB 3.46Å; V692-L696 VanDerWaalsContact O-CG 3.29Å; V692-L696 WeakPolarHBondContact O-CG 3.33Å; V692-L696 PolarHBondContact O-N 3.34Å; V692-Y732 HydrophobicContact CG1-CG 4.38Å; V692-L768 HydrophobicContact CG1-CD1 4.44Å; V692-L768 HydrophobicContact CG1-CD2 4.28Å; V692-L768 HydrophobicContact CG2-CD1 3.9Å
693T92.6Very high87.6Confident0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-76.3-29.5-179.5560000112.8M659 T665 S689 A690 F697M659-T693 HydrophobicContact CE-CG2 4.09Å; M659-T693 HydrophobicContact SD-CG2 4.24Å; T665-T693 HydrophobicContact CG2-CG2 4.38Å; T665-T693 VanDerWaalsContact OG1-CG2 3.26Å; T665-T693 WeakPolarHBondContact OG1-CG2 3.3Å; S689-T693 WeakPolarHBondContact O-CB 3.2Å; S689-T693 VanDerWaalsContact O-CG2 3.26Å; S689-T693 WeakPolarHBondContact O-CG2 3.45Å; S689-T693 PolarHBondContact O-N 2.88Å; S689-T693 PolarHBondContact O-OG1 2.81Å; A690-T693 PolarHBondContact O-N 3.01Å; A690-T693 PolarHBondContact O-OG1 2.96Å; T693-F697 HydrophobicContact CG2-CE2 4.46Å; T693-F697 WeakPolarHBondContact O-CD2 3.5Å; T693-F697 PolarHBondContact O-N 2.9Å
694C93.4Very high87.9Confident0 Ų020.5 Ų20.50%09%0.094CC..Iπ-helixtrans-60.2-52.7167.9-174.30000111L588 L682 A690 V691 L696 V698 I699L588-C694 HydrophobicContact CD2-CB 3.54Å; L682-C694 HydrophobicContact CD1-CB 4.18Å; A690-C694 WeakPolarHBondContact O-CB 3.27Å; A690-C694 PolarHBondContact O-N 3.45Å; V691-C694 PolarHBondContact O-N 3.15Å; C694-L696 VanDerWaalsContact C-N 3.35Å; C694-L696 PolarHBondContact O-N 3.18Å; C694-V698 WeakPolarHBondContact O-CA 3.34Å; C694-V698 VanDerWaalsContact O-CB 3.31Å; C694-V698 WeakPolarHBondContact O-CB 3.41Å; C694-V698 PolarHBondContact O-N 2.78Å; C694-I699 PolarHBondContact O-N 3.43Å
695N92.3Very high88.8Confident9 Ų920 Ų205%0.0489%0.086CC..Iπ-helixtrans-58.6-43.6177.5-86.4-86.8000112.6V691 V692 P700 M790 I792V691-N695 WeakPolarHBondContact O-CB 3.43Å; V691-N695 PolarHBondContact O-N 2.8Å; V691-N695 PolarHBondContact O-ND2 2.77Å; V692-N695 PolarHBondContact O-N 2.93Å; N695-P700 WeakPolarHBondContact O-CD 3.47Å; N695-M790 HydrophobicContact CB-CE 4.15Å; N695-M790 VanDerWaalsContact O-CE 3.26Å; N695-M790 WeakPolarHBondContact O-CE 3.25Å; N695-I792 HydrophobicContact CB-CG2 4.14Å; N695-I792 WeakPolarHBondContact OD1-CB 3.48Å; N695-I792 WeakPolarHBondContact OD1-CG2 3.48Å
696L92.9Very high90.3Very high5 Ų510.7 Ų10.73%0.0265%0.051CC..Iπ-helixtrans-77.1-29.8-175.7-73.4167.6000115.1M384 F388 M659 V692 C694 Y732 L768 M790M384-L696 HydrophobicContact CE-CB 3.92Å; M384-L696 HydrophobicContact CE-CD1 4.18Å; M384-L696 HydrophobicContact CE-CD2 4.11Å; M384-L696 HydrophobicContact CE-CG 4.31Å; F388-L696 VanDerWaalsContact CD2-O 3.31Å; F388-L696 WeakPolarHBondContact CD2-O 3.38Å; F388-L696 WeakPolarHBondContact CE2-O 3.33Å; M659-L696 HydrophobicContact CE-CD1 3.46Å; M659-L696 VanDerWaalsContact CE-CD1 3.46Å; V692-L696 HydrophobicContact CG1-CD1 3.68Å; V692-L696 WeakPolarHBondContact O-CB 3.46Å; V692-L696 VanDerWaalsContact O-CG 3.29Å; V692-L696 WeakPolarHBondContact O-CG 3.33Å; V692-L696 PolarHBondContact O-N 3.34Å; C694-L696 VanDerWaalsContact C-N 3.35Å; C694-L696 PolarHBondContact O-N 3.18Å; L696-Y732 HydrophobicContact CD1-CD1 3.75Å; L696-Y732 HydrophobicContact CD1-CD2 4.08Å; L696-Y732 HydrophobicContact CD1-CE1 3.96Å; L696-Y732 HydrophobicContact CD1-CE2 4.29Å; L696-Y732 HydrophobicContact CD1-CG 3.83Å; L696-Y732 HydrophobicContact CD2-CD1 4.14Å; L696-Y732 HydrophobicContact CD2-CE1 3.92Å; L696-L768 HydrophobicContact CD1-CD2 4.11Å; L696-L768 HydrophobicContact CD2-CD2 4.01Å; L696-L768 HydrophobicContact CG-CD2 3.94Å; L696-M790 HydrophobicContact CD2-SD 3.65Å; L696-M790 HydrophobicContact CG-SD 4.49Å
697F94.7Very high91.2Very high1 Ų18.9 Ų8.90%0.0044%0.044CC..Iπ-helixtrans-121.4-45.6-175.1-59.3-66000114M384 A387 F388 V391 V657 M659 T665 F680 T693 A701M384-F697 HydrophobicContact CE-CD1 4.3Å; M384-F697 HydrophobicContact CE-CE1 3.46Å; M384-F697 VanDerWaalsContact CE-CE1 3.46Å; M384-F697 HydrophobicContact CE-CE2 4.27Å; M384-F697 HydrophobicContact CE-CZ 3.44Å; M384-F697 VanDerWaalsContact CE-CZ 3.44Å; M384-F697 HydrophobicContact SD-CE1 4.02Å; M384-F697 HydrophobicContact SD-CE2 4.47Å; M384-F697 HydrophobicContact SD-CZ 3.55Å; M384-F697 VanDerWaalsContact SD-CZ 3.55Å; A387-F697 HydrophobicContact CB-CE1 3.88Å; A387-F697 HydrophobicContact CB-CZ 4.19Å; F388-F697 HydrophobicContact CB-CE1 4.39Å; V391-F697 HydrophobicContact CG2-CB 4.48Å; V391-F697 HydrophobicContact CG2-CD1 4.21Å; V657-F697 HydrophobicContact CG1-CZ 4.24Å; V657-F697 HydrophobicContact CG2-CZ 4.39Å; M659-F697 HydrophobicContact CE-CE2 4.02Å; M659-F697 HydrophobicContact CE-CZ 4.34Å; M659-F697 HydrophobicContact SD-CE2 3.69Å; M659-F697 HydrophobicContact SD-CZ 3.92Å; T665-F697 HydrophobicContact CG2-CD2 4.12Å; T665-F697 HydrophobicContact CG2-CE2 4.17Å; F680-F697 HydrophobicContact CD1-CB 4.48Å; F680-F697 HydrophobicContact CE1-CB 4.18Å; T693-F697 HydrophobicContact CG2-CE2 4.46Å; T693-F697 WeakPolarHBondContact O-CD2 3.5Å; T693-F697 PolarHBondContact O-N 2.9Å; F697-A701 WeakPolarHBondContact O-CB 3.36Å; F697-A701 PolarHBondContact O-N 2.87Å
698V95.3Very high92Very high0 Ų09.5 Ų9.50%05%0.047CC..Iπ-helixtrans-72.2-48.9-174.1-179.90000110.3I592 I627 F680 C694 A701 L702I592-V698 HydrophobicContact CD1-CG1 4.1Å; I627-V698 HydrophobicContact CD1-CG1 3.73Å; I627-V698 HydrophobicContact CD1-CG2 4.45Å; I627-V698 HydrophobicContact CG1-CG1 4.47Å; F680-V698 HydrophobicContact CB-CG2 4Å; F680-V698 HydrophobicContact CD1-CG2 3.92Å; F680-V698 HydrophobicContact CD2-CG2 4.07Å; F680-V698 HydrophobicContact CE1-CG2 4.4Å; F680-V698 HydrophobicContact CG-CG2 3.74Å; C694-V698 WeakPolarHBondContact O-CA 3.34Å; C694-V698 VanDerWaalsContact O-CB 3.31Å; C694-V698 WeakPolarHBondContact O-CB 3.41Å; C694-V698 PolarHBondContact O-N 2.78Å; V698-A701 WeakPolarHBondContact O-CA 3.31Å; V698-A701 WeakPolarHBondContact O-CB 3.4Å; V698-A701 PolarHBondContact O-N 3.29Å; V698-L702 HydrophobicContact CG1-CD1 3.79Å; V698-L702 HydrophobicContact CG1-CG 4.05Å; V698-L702 WeakPolarHBondContact O-CG 3.43Å; V698-L702 PolarHBondContact O-N 2.83Å
699I94.5Very high92.3Very high4 Ų416.4 Ų16.42%0.0218%0.083CC..Hα-helixtrans-60.9-45.3-177.4-57.4-45.1000112.4T591 I592 H595 C694 A701 L702 R703T591-I699 HydrophobicContact CG2-CD1 4.4Å; I592-I699 HydrophobicContact CD1-CD1 3.47Å; I592-I699 VanDerWaalsContact CD1-CD1 3.47Å; H595-I699 VanDerWaalsContact CD2-CD1 3.44Å; H595-I699 WeakPolarHBondContact CD2-CD1 3.46Å; C694-I699 PolarHBondContact O-N 3.43Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 3.01Å; I699-L702 HydrophobicContact CD1-CD1 4.21Å; I699-L702 PolarHBondContact O-N 3.49Å; I699-R703 HydrophobicContact CG2-CG 4.42Å; I699-R703 WeakPolarHBondContact O-CB 3.46Å; I699-R703 VanDerWaalsContact O-CG 3.28Å; I699-R703 WeakPolarHBondContact O-CG 3.24Å; I699-R703 PolarHBondContact O-N 3.16Å
700P94.9Very high92.6Very high2 Ų220 Ų201%0.01310%0.102CC..Hα-helixtrans-60.8-35.8171.7-26.136.4000113.8F388 L392 N695 K704 P711F388-P700 HydrophobicContact CE2-CB 4.14Å; F388-P700 HydrophobicContact CE2-CG 3.83Å; F388-P700 HydrophobicContact CZ-CB 4.19Å; F388-P700 HydrophobicContact CZ-CG 4.23Å; L392-P700 HydrophobicContact CD2-CB 4.01Å; N695-P700 WeakPolarHBondContact O-CD 3.47Å; P700-K704 PolarHBondContact O-N 3.44Å; P700-P711 WeakPolarHBondContact O-CB 3.45Å
701A95.1Very high92.8Very high0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-64.5-48.3174.200000111.6V391 T395 L678 F680 F697 V698 I699 R703 K704 M705V391-A701 HydrophobicContact CG1-CB 3.84Å; T395-A701 HydrophobicContact CG2-CB 4.44Å; L678-A701 HydrophobicContact CD1-CB 4.28Å; F680-A701 HydrophobicContact CE2-CB 4.17Å; F680-A701 HydrophobicContact CZ-CB 3.64Å; F697-A701 WeakPolarHBondContact O-CB 3.36Å; F697-A701 PolarHBondContact O-N 2.87Å; V698-A701 WeakPolarHBondContact O-CA 3.31Å; V698-A701 WeakPolarHBondContact O-CB 3.4Å; V698-A701 PolarHBondContact O-N 3.29Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 3.01Å; A701-R703 VanDerWaalsContact C-N 3.35Å; A701-R703 PolarHBondContact O-N 3.23Å; A701-K704 PolarHBondContact O-N 2.94Å; A701-M705 WeakPolarHBondContact O-CG 3.29Å; A701-M705 PolarHBondContact O-N 2.89Å
702L94.8Very high93Very high0 Ų027.4 Ų27.40%013%0.13CC..Hα-helixtrans-62.3-40.6179.1-61175.4000112P557 V559 I592 Y597 V625 V698 I699 K704 M705 Q706P557-L702 HydrophobicContact CB-CD2 3.8Å; P557-L702 HydrophobicContact CG-CB 4.01Å; P557-L702 HydrophobicContact CG-CD2 3.47Å; P557-L702 VanDerWaalsContact CG-CD2 3.47Å; P557-L702 HydrophobicContact CG-CG 4.3Å; V559-L702 HydrophobicContact CG2-CD1 4.02Å; V559-L702 HydrophobicContact CG2-CD2 3.57Å; V559-L702 HydrophobicContact CG2-CG 4.49Å; I592-L702 HydrophobicContact CD1-CD1 3.67Å; I592-L702 HydrophobicContact CG2-CD1 4.31Å; Y597-L702 HydrophobicContact CD2-CB 4.05Å; Y597-L702 HydrophobicContact CD2-CD1 3.64Å; Y597-L702 HydrophobicContact CD2-CG 4.43Å; Y597-L702 HydrophobicContact CE1-CB 4.36Å; Y597-L702 HydrophobicContact CE2-CB 3.52Å; Y597-L702 HydrophobicContact CE2-CD1 3.82Å; Y597-L702 HydrophobicContact CE2-CG 4.32Å; Y597-L702 HydrophobicContact CG-CD1 4.43Å; V625-L702 HydrophobicContact CB-CD2 4.22Å; V625-L702 HydrophobicContact CG1-CD2 4.43Å; V625-L702 HydrophobicContact CG2-CD2 3.69Å; V698-L702 HydrophobicContact CG1-CD1 3.79Å; V698-L702 HydrophobicContact CG1-CG 4.05Å; V698-L702 WeakPolarHBondContact O-CG 3.43Å; V698-L702 PolarHBondContact O-N 2.83Å; I699-L702 HydrophobicContact CD1-CD1 4.21Å; I699-L702 PolarHBondContact O-N 3.49Å; L702-K704 VanDerWaalsContact C-N 3.31Å; L702-K704 PolarHBondContact O-N 2.62Å; L702-M705 HydrophobicContact CD2-SD 4.38Å; L702-M705 PolarHBondContact O-N 2.82Å; L702-Q706 WeakPolarHBondContact O-CB 3.31Å; L702-Q706 PolarHBondContact O-N 3.2Å
703R94.4Very high93.2Very high59 Ų5928.3 Ų28.322%0.22314%0.136CC..Hα-helixtrans-58.9-39171.8-72.7178-177.5-1671.9112.5Y597 I699 A701 G707 I708 P711 R712Y597-R703 PolarHBondContact OH-N 3.43Å; I699-R703 HydrophobicContact CG2-CG 4.42Å; I699-R703 WeakPolarHBondContact O-CB 3.46Å; I699-R703 VanDerWaalsContact O-CG 3.28Å; I699-R703 WeakPolarHBondContact O-CG 3.24Å; I699-R703 PolarHBondContact O-N 3.16Å; A701-R703 VanDerWaalsContact C-N 3.35Å; A701-R703 PolarHBondContact O-N 3.23Å; R703-G707 PolarHBondContact O-N 2.85Å; R703-I708 HydrophobicContact CB-CB 4.46Å; R703-I708 HydrophobicContact CB-CD1 4.01Å; R703-I708 HydrophobicContact CG-CD1 3.97Å; R703-I708 WeakPolarHBondContact O-CB 3.26Å; R703-I708 PolarHBondContact O-N 3.48Å; R703-P711 HydrophobicContact CB-CB 3.77Å; R703-P711 WeakPolarHBondContact CD-O 3.46Å; R703-R712 PolarHBondContact NH1-O 3.25Å
704K94.5Very high93.2Very high55 Ų5532.6 Ų32.624%0.23916%0.163CC..Hα-helixtrans-71.6-37.9175.1-161.4-166.7176.8-159.40112L392 T395 P700 A701 L702 Q706 G707 P711L392-K704 HydrophobicContact CD2-CB 4.37Å; L392-K704 HydrophobicContact CD2-CD 4.47Å; L392-K704 VanDerWaalsContact O-CD 3.26Å; L392-K704 WeakPolarHBondContact O-CD 3.35Å; L392-K704 WeakPolarHBondContact O-CE 3.42Å; L392-K704 PolarHBondContact O-NZ 3.45Å; T395-K704 HydrophobicContact CG2-CB 4.01Å; T395-K704 HydrophobicContact CG2-CD 4.06Å; T395-K704 HydrophobicContact CG2-CG 4.41Å; T395-K704 WeakPolarHBondContact O-CE 3.46Å; T395-K704 PolarHBondContact O-NZ 2.88Å; P700-K704 PolarHBondContact O-N 3.44Å; A701-K704 PolarHBondContact O-N 2.94Å; L702-K704 VanDerWaalsContact C-N 3.31Å; L702-K704 PolarHBondContact O-N 2.62Å; K704-Q706 VanDerWaalsContact C-N 3.33Å; K704-Q706 PolarHBondContact O-N 2.82Å; K704-G707 WeakPolarHBondContact O-CA 3.3Å; K704-G707 PolarHBondContact O-N 3.36Å; K704-P711 HydrophobicContact CB-CB 3.93Å; K704-P711 HydrophobicContact CB-CG 4Å; K704-P711 HydrophobicContact CG-CG 4.23Å
705M92.9Very high93.2Very high5 Ų536.4 Ų36.43%0.02518%0.182CC..Hα-helixtrans-62.9-40.6176.1-69.3177.782.500112T395 A396 L398 P557 D624 V625 L678 A701 L702 G707T395-M705 HydrophobicContact CG2-CG 3.5Å; T395-M705 HydrophobicContact CG2-SD 4.38Å; A396-M705 WeakPolarHBondContact O-CG 3.27Å; L398-M705 WeakPolarHBondContact CB-O 3.43Å; L398-M705 HydrophobicContact CD1-CB 4.06Å; L398-M705 HydrophobicContact CD1-CE 4.39Å; L398-M705 HydrophobicContact CD2-CE 3.99Å; L398-M705 HydrophobicContact CG-CB 4.06Å; L398-M705 HydrophobicContact CG-CE 4.29Å; L398-M705 PolarHBondContact N-O 2.82Å; P557-M705 HydrophobicContact CB-CB 4.1Å; P557-M705 HydrophobicContact CB-CE 3.97Å; P557-M705 HydrophobicContact CB-SD 3.98Å; P557-M705 HydrophobicContact CG-CB 4.08Å; D624-M705 HydrophobicContact CB-CE 3.68Å; V625-M705 HydrophobicContact CG2-CE 3.65Å; V625-M705 HydrophobicContact CG2-SD 3.32Å; V625-M705 WeakPolarHBondContact CG2-SD 3.3Å; L678-M705 HydrophobicContact CD1-CE 4.45Å; L678-M705 HydrophobicContact CD1-SD 3.62Å; L678-M705 HydrophobicContact CG-SD 4.36Å; A701-M705 WeakPolarHBondContact O-CG 3.29Å; A701-M705 PolarHBondContact O-N 2.89Å; L702-M705 HydrophobicContact CD2-SD 4.38Å; L702-M705 PolarHBondContact O-N 2.82Å; M705-G707 PolarHBondContact O-N 2.83Å
706Q92.6Very high93.3Very high4 Ų437.8 Ų37.82%0.01919%0.189CC..THydrogen-bonded Turntrans-65.5-7.5168.4-179.2-164.3-7.200113.4G410 V412 Q554 F556 Y597 L702 K704 I708G410-Q706 PolarHBondContact O-NE2 3.1Å; V412-Q706 HydrophobicContact CG2-CG 4.13Å; V412-Q706 WeakPolarHBondContact CG2-O 3.49Å; Q554-Q706 WeakPolarHBondContact CB-O 3.46Å; Q554-Q706 WeakPolarHBondContact CG-O 3.31Å; F556-Q706 HydrophobicContact CD1-CG 4Å; F556-Q706 HydrophobicContact CE1-CG 4Å; Y597-Q706 HydrophobicContact CE1-CB 4.34Å; Y597-Q706 HydrophobicContact CE1-CG 4.47Å; Y597-Q706 PolarHBondContact OH-OE1 2.83Å; L702-Q706 WeakPolarHBondContact O-CB 3.31Å; L702-Q706 PolarHBondContact O-N 3.2Å; K704-Q706 VanDerWaalsContact C-N 3.33Å; K704-Q706 PolarHBondContact O-N 2.82Å; Q706-I708 HydrophobicContact CG-CG1 4.36Å
707G91.5Very high93.4Very high11 Ų1142.6 Ų42.611%0.11321%0.21CC..THydrogen-bonded Turntrans77.619.5176.400000115.7R703 K704 M705 L709R703-G707 PolarHBondContact O-N 2.85Å; K704-G707 WeakPolarHBondContact O-CA 3.3Å; K704-G707 PolarHBondContact O-N 3.36Å; M705-G707 PolarHBondContact O-N 2.83Å; G707-L709 PolarHBondContact O-N 2.87Å
708I92.7Very high93.4Very high32 Ų3242.5 Ų42.516%0.16421%0.209CC..  trans-62.6125169.9-59.8-177.4000108.6V412 R703 Q706 D710V412-I708 HydrophobicContact CG2-CG1 3.62Å; R703-I708 HydrophobicContact CB-CB 4.46Å; R703-I708 HydrophobicContact CB-CD1 4.01Å; R703-I708 HydrophobicContact CG-CD1 3.97Å; R703-I708 WeakPolarHBondContact O-CB 3.26Å; R703-I708 PolarHBondContact O-N 3.48Å; Q706-I708 HydrophobicContact CG-CG1 4.36Å; I708-D710 VanDerWaalsContact C-N 3.35Å; I708-D710 WeakPolarHBondContact CG2-O 3.4Å; I708-D710 PolarHBondContact O-N 3.09Å
709L88.8Confident93.3Very high146 Ų14646.3 Ų46.376%0.76422%0.224SC*.SBendtrans-61.1-39.7-173.4-62.7177.3000113.2G707G707-L709 PolarHBondContact O-N 2.87Å
710D91.4Very high93.2Very high79 Ų7946.2 Ų46.242%0.42222%0.223SC..SBendtrans-115.495167.9-168.5-6.7000109.8I708 R712I708-D710 VanDerWaalsContact C-N 3.35Å; I708-D710 WeakPolarHBondContact CG2-O 3.4Å; I708-D710 PolarHBondContact O-N 3.09Å; D710-R712 PolarHBondContact O-N 2.89Å; D710-R712 VanDerWaalsContact OD1-CB 3.25Å; D710-R712 WeakPolarHBondContact OD1-CB 3.34Å; D710-R712 WeakPolarHBondContact OD1-CG 3.48Å; D710-R712 IonicContact OD1-CZ 3.7Å; D710-R712 PolarHBondContact OD1-N 3.2Å; D710-R712 IonicContact OD1-NE 3.8Å; D710-R712 PolarHBondContact OD1-NE 2.98Å; D710-R712 IonicContact OD1-NH2 3.29Å; D710-R712 IonicContact OD2-CZ 3.74Å; D710-R712 IonicContact OD2-NE 2.64Å; D710-R712 PolarHBondContact OD2-NE 3.06Å; D710-R712 IonicContact OD2-NH2 2.95Å; D710-R712 PolarHBondContact OD2-NH2 3.28Å
711P91.7Very high92.9Very high13 Ų1347.5 Ų47.58%0.08423%0.232CC..  trans-790.1-176.833.2-37.1000113.4L392 P700 R703 K704L392-P711 HydrophobicContact CD1-CG 4.26Å; L392-P711 HydrophobicContact CD2-CB 4.37Å; L392-P711 HydrophobicContact CD2-CG 3.83Å; P700-P711 WeakPolarHBondContact O-CB 3.45Å; R703-P711 HydrophobicContact CB-CB 3.77Å; R703-P711 WeakPolarHBondContact CD-O 3.46Å; K704-P711 HydrophobicContact CB-CB 3.93Å; K704-P711 HydrophobicContact CB-CG 4Å; K704-P711 HydrophobicContact CG-CG 4.23Å
712R92.8Very high92.5Very high149 Ų14950 Ų5056%0.56225%0.249SC*.PPolyproline II helixtrans-65.1154.5-175.8-65.7179.3-65.8174.63.2111.7F388 R703 D710F388-R712 HydrophobicContact CE1-CG 4.18Å; F388-R712 HydrophobicContact CZ-CG 4.23Å; R703-R712 PolarHBondContact NH1-O 3.25Å; D710-R712 PolarHBondContact O-N 2.89Å; D710-R712 VanDerWaalsContact OD1-CB 3.25Å; D710-R712 WeakPolarHBondContact OD1-CB 3.34Å; D710-R712 WeakPolarHBondContact OD1-CG 3.48Å; D710-R712 IonicContact OD1-CZ 3.7Å; D710-R712 PolarHBondContact OD1-N 3.2Å; D710-R712 IonicContact OD1-NE 3.8Å; D710-R712 PolarHBondContact OD1-NE 2.98Å; D710-R712 IonicContact OD1-NH2 3.29Å; D710-R712 IonicContact OD2-CZ 3.74Å; D710-R712 IonicContact OD2-NE 2.64Å; D710-R712 PolarHBondContact OD2-NE 3.06Å; D710-R712 IonicContact OD2-NH2 2.95Å; D710-R712 PolarHBondContact OD2-NH2 3.28Å
713P92.7Very high92.3Very high20 Ų2054.9 Ų54.913%0.1328%0.275CS..PPolyproline II helixtrans-74.6149.8173.332.2-35.3000111.4I715 M790P713-I715 PolarHBondContact O-N 2.68Å; P713-M790 HydrophobicContact CB-CE 3.39Å; P713-M790 HydrophobicContact CB-CG 3.87Å; P713-M790 HydrophobicContact CB-SD 3.63Å; P713-M790 HydrophobicContact CG-CE 3.92Å; P713-M790 HydrophobicContact CG-CG 4.3Å; P713-M790 HydrophobicContact CG-SD 3.65Å
714T93.6Very high91.9Very high91 Ų9152.7 Ų52.756%0.55827%0.268SS*.PPolyproline II helixtrans-70119.9171.8-48.90000109.2I716 V791T714-I716 HydrophobicContact CG2-CG2 4.23Å; T714-V791 PolarHBondContact O-N 2.95Å
715I94.4Very high91.6Very high80 Ų8057.4 Ų57.441%0.4129%0.289SS..EExtended strand (participates in β ladder)trans-107.2129.4173.8-58.1172.5000107.9P713 M770 D788 V789P713-I715 PolarHBondContact O-N 2.68Å; I715-M770 HydrophobicContact CD1-CE 4.08Å; I715-M770 HydrophobicContact CD1-SD 3.79Å; I715-M770 HydrophobicContact CG1-SD 4.05Å; I715-M770 HydrophobicContact CG2-SD 4.34Å; I715-D788 HydrophobicContact CG2-CB 3.74Å; I715-D788 WeakPolarHBondContact CG2-OD1 3.38Å; I715-V789 WeakPolarHBondContact CA-O 3.48Å
716I94.3Very high91.4Very high38 Ų3857.9 Ų57.920%0.19529%0.291CS..EExtended strand (participates in β ladder)trans-118.8153.4175.969.9175.8000110.6T714 L737 W739 P746 V789 V791T714-I716 HydrophobicContact CG2-CG2 4.23Å; I716-L737 HydrophobicContact CD1-CD1 3.65Å; I716-L737 HydrophobicContact CD1-CD2 3.99Å; I716-L737 HydrophobicContact CD1-CG 4.4Å; I716-L737 HydrophobicContact CG1-CD1 4.32Å; I716-L737 HydrophobicContact CG1-CD2 4.49Å; I716-W739 HydrophobicContact CD1-CH2 3.63Å; I716-W739 HydrophobicContact CD1-CZ2 3.89Å; I716-P746 HydrophobicContact CD1-CG 3.97Å; I716-V789 HydrophobicContact CG1-CB 4.31Å; I716-V789 PolarHBondContact N-O 2.99Å; I716-V789 PolarHBondContact O-N 2.85Å; I716-V791 HydrophobicContact CD1-CG2 4.27Å; I716-V791 HydrophobicContact CG1-CG2 4.34Å; I716-V791 HydrophobicContact CG2-CG2 4.18Å
717K94.8Very high91.2Very high105 Ų10558.9 Ų58.946%0.45730%0.297SS..EExtended strand (participates in β ladder)trans-84.1131.1171.7-63.4-58.2-173-1770109.7L745 P746 V786 V787 D788K717-L745 HydrophobicContact CB-CD2 4.26Å; K717-P746 WeakPolarHBondContact O-CD 3.44Å; K717-V786 HydrophobicContact CB-CG1 3.77Å; K717-V786 HydrophobicContact CD-CG1 4.2Å; K717-V786 HydrophobicContact CG-CG1 4.29Å; K717-V787 WeakPolarHBondContact CA-O 3.47Å; K717-D788 WeakPolarHBondContact CD-OD1 3.41Å; K717-D788 VanDerWaalsContact CE-OD1 3.26Å; K717-D788 WeakPolarHBondContact CE-OD1 3.5Å; K717-D788 IonicContact NZ-OD1 3.38Å; K717-D788 PolarHBondContact NZ-OD1 2.64Å; K717-D788 IonicContact NZ-OD2 3.59Å; K717-D788 PolarHBondContact NZ-OD2 3.13Å
718A93.8Very high91.1Very high0 Ų062.5 Ų62.50%032%0.318CS..EExtended strand (participates in β ladder)trans-137159179.900000111.5L737 P746 A748 V786 V787 V789A718-L737 HydrophobicContact CB-CD2 3.75Å; A718-P746 CarbonylContact C-O 3.55Å; A718-P746 VanDerWaalsContact CA-O 3.27Å; A718-P746 WeakPolarHBondContact CA-O 3.21Å; A718-P746 HydrophobicContact CB-CG 3.97Å; A718-P746 WeakPolarHBondContact CB-O 3.21Å; A718-A748 HydrophobicContact CB-CB 3.81Å; A718-V786 WeakPolarHBondContact O-CA 3.47Å; A718-V787 PolarHBondContact N-O 2.73Å; A718-V787 WeakPolarHBondContact O-CG2 3.43Å; A718-V787 PolarHBondContact O-N 3.42Å; A718-V789 HydrophobicContact CB-CG2 3.71Å
719R93.6Very high91Very high79 Ų7964.1 Ų64.130%0.29832%0.323SS..EExtended strand (participates in β ladder)trans-91.1130.1175.5-73179.1159.9165.8-4.4111.3S721 E743 L745 P746 W747 A748 E785R719-S721 PolarHBondContact O-N 2.88Å; R719-E743 IonicContact CZ-OE2 2.72Å; R719-E743 IonicContact NH1-OE2 2.72Å; R719-E743 PolarHBondContact NH1-OE2 2.73Å; R719-L745 HydrophobicContact CG-CB 4.23Å; R719-L745 HydrophobicContact CG-CD1 4.15Å; R719-P746 PolarHBondContact N-O 2.95Å; R719-W747 HydrophobicContact CB-CD2 3.89Å; R719-W747 HydrophobicContact CB-CE3 3.86Å; R719-W747 HydrophobicContact CB-CG 4.34Å; R719-W747 HydrophobicContact CB-CZ3 4.22Å; R719-W747 CarbonylContact O-C 3.48Å; R719-W747 WeakPolarHBondContact O-CA 3.3Å; R719-A748 PolarHBondContact O-N 3.28Å; R719-E785 WeakPolarHBondContact CA-O 3.22Å
720L92.9Very high91.1Very high2 Ų258 Ų581%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-63.5128.9174.3-78.9175.5000111.9C722 V724 W747 L769 L781 K783 G784 E785 V787L720-C722 VanDerWaalsContact C-N 3.31Å; L720-C722 PolarHBondContact O-N 2.96Å; L720-V724 HydrophobicContact CD2-CG2 4.22Å; L720-W747 VanDerWaalsContact O-CZ3 3.31Å; L720-W747 WeakPolarHBondContact O-CZ3 3.35Å; L720-L769 HydrophobicContact CD2-CD1 4.19Å; L720-L769 HydrophobicContact CD2-CD2 3.84Å; L720-L781 HydrophobicContact CD1-CB 3.55Å; L720-L781 HydrophobicContact CD1-CD1 4.24Å; L720-K783 WeakPolarHBondContact O-CA 3.28Å; L720-G784 PolarHBondContact O-N 2.81Å; L720-E785 PolarHBondContact N-O 2.72Å; L720-V787 HydrophobicContact CD1-CG1 3.89Å; L720-V787 HydrophobicContact CD2-CG1 4.4Å; L720-V787 HydrophobicContact CD2-CG2 3.91Å; L720-V787 HydrophobicContact CG-CG1 3.88Å; L720-V787 HydrophobicContact CG-CG2 3.79Å
721S88.9Confident91.1Very high29 Ų2955 Ų5520%0.20328%0.275CS..SBendtrans-72.6-22.317570.80000114.5R719 A748 Q749 K783R719-S721 PolarHBondContact O-N 2.88Å; S721-A748 PolarHBondContact N-O 2.96Å; S721-A748 VanDerWaalsContact N-O 3.16Å; S721-A748 PolarHBondContact OG-O 3.03Å; S721-Q749 WeakPolarHBondContact OG-CA 3.18Å; S721-K783 VanDerWaalsContact O-CD 3.24Å; S721-K783 WeakPolarHBondContact O-CD 3.5Å; S721-K783 VanDerWaalsContact O-CE 3.26Å; S721-K783 WeakPolarHBondContact O-CE 3.33Å; S721-K783 WeakPolarHBondContact O-CG 3.12Å
722C86.8Confident91Very high53 Ų5354.9 Ų54.936%0.35827%0.273SS..SBendtrans-154157.8-171.357.70000110.3L720L720-C722 VanDerWaalsContact C-N 3.31Å; L720-C722 PolarHBondContact O-N 2.96Å
723D88.9Confident90.6Very high102 Ų10248.6 Ų48.655%0.54525%0.25SC..  trans-68.3143.1179-48.7-33.3000111.1L781 H782 K783D723-L781 CarbonylContact C-O 3.56Å; D723-L781 VanDerWaalsContact CA-O 3.25Å; D723-L781 WeakPolarHBondContact CA-O 3.35Å; D723-H782 WeakPolarHBondContact OD1-CA 3.37Å; D723-K783 PolarHBondContact OD1-N 2.79Å
724V86.7Confident90.3Very high13 Ų1347.7 Ų47.78%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-135.7122.8-178-171.30000111L720 L771 E780 L781L720-V724 HydrophobicContact CD2-CG2 4.22Å; V724-L771 HydrophobicContact CG1-CD1 3.7Å; V724-E780 CarbonylContact O-C 3.58Å; V724-E780 VanDerWaalsContact O-CA 3.3Å; V724-E780 WeakPolarHBondContact O-CA 3.48Å; V724-L781 PolarHBondContact N-O 2.84Å; V724-L781 PolarHBondContact O-N 2.84Å
725K88Confident90.1Very high154 Ų15443.3 Ų43.367%0.6722%0.217SC*.EExtended strand (participates in β ladder)trans-79.6134.9175.5-56.4-169-175.8-93.60110.9E780K725-E780 HydrophobicContact CB-CB 4.44Å; K725-E780 HydrophobicContact CG-CB 4.13Å; K725-E780 IonicContact NZ-OE2 3.97Å; K725-E780 PolarHBondContact NZ-OE2 2.99Å
726L88.4Confident89.9Confident15 Ų1542 Ų428%0.07921%0.211CC..PPolyproline II helixtrans-86.1137.6-174-60-179.6000112.4L771 P772 K774 V779 L781L726-L771 HydrophobicContact CD2-CB 4.12Å; L726-P772 HydrophobicContact CD1-CG 4.18Å; L726-K774 HydrophobicContact CB-CB 3.79Å; L726-V779 PolarHBondContact N-O 2.92Å; L726-L781 HydrophobicContact CD1-CG 4.25Å; L726-L781 HydrophobicContact CD2-CD1 4.04Å; L726-L781 HydrophobicContact CD2-CG 4.05Å; L726-L781 HydrophobicContact CG-CG 4.38Å
727D88.4Confident89.8Confident25 Ų2540.6 Ų40.613%0.13420%0.203CC..PPolyproline II helixtrans-81.9156.5168.7-165-87.5000110.1K660 R729 E731 K774K660-D727 HydrophobicContact CD-CB 3.79Å; K660-D727 WeakPolarHBondContact CD-OD2 3.37Å; K660-D727 WeakPolarHBondContact CE-OD2 3.4Å; K660-D727 IonicContact NZ-OD2 2.68Å; K660-D727 PolarHBondContact NZ-OD2 2.85Å; D727-R729 VanDerWaalsContact CG-NH2 3.32Å; D727-R729 PolarHBondContact O-N 3.28Å; D727-R729 VanDerWaalsContact O-N 3.09Å; D727-R729 IonicContact OD1-CZ 3.4Å; D727-R729 VanDerWaalsContact OD1-CZ 3.24Å; D727-R729 PolarHBondContact OD1-N 3.16Å; D727-R729 VanDerWaalsContact OD1-N 3.12Å; D727-R729 IonicContact OD1-NE 2.84Å; D727-R729 PolarHBondContact OD1-NE 3.33Å; D727-R729 IonicContact OD1-NH2 2.69Å; D727-R729 PolarHBondContact OD1-NH2 2.89Å; D727-R729 IonicContact OD2-NH2 2.85Å; D727-R729 PolarHBondContact OD2-NH2 2.67Å; D727-E731 WeakPolarHBondContact CB-OE2 3.47Å; D727-K774 WeakPolarHBondContact O-CB 3.48Å; D727-K774 PolarHBondContact O-N 2.92Å
728P89.5Confident89.6Confident87 Ų8738.2 Ų38.257%0.56520%0.197SC*.SBendtrans-58.2-17.7170.8-2836.9000114.8F658 P773F658-P728 VanDerWaalsContact CE1-O 3.28Å; F658-P728 WeakPolarHBondContact CE1-O 3.4Å; F658-P728 WeakPolarHBondContact CZ-O 3.39Å; P728-P773 WeakPolarHBondContact O-CB 3.43Å
729R90.7Very high89.5Confident67 Ų6744.3 Ų44.325%0.25322%0.221SC..SBendtrans-100153.5171.9-67.2156.3-65.7-178.5-2.9111.1F658 K660 D727 E731F658-R729 HydrophobicContact CD1-CB 4.42Å; F658-R729 HydrophobicContact CD1-CG 4.1Å; F658-R729 HydrophobicContact CD2-CG 3.72Å; F658-R729 HydrophobicContact CE1-CB 4.25Å; F658-R729 HydrophobicContact CE1-CG 3.95Å; F658-R729 HydrophobicContact CE2-CG 3.55Å; F658-R729 HydrophobicContact CG-CG 4.01Å; F658-R729 HydrophobicContact CZ-CB 4.38Å; F658-R729 HydrophobicContact CZ-CG 3.67Å; K660-R729 HydrophobicContact CB-CB 4.35Å; D727-R729 VanDerWaalsContact CG-NH2 3.32Å; D727-R729 PolarHBondContact O-N 3.28Å; D727-R729 VanDerWaalsContact O-N 3.09Å; D727-R729 IonicContact OD1-CZ 3.4Å; D727-R729 VanDerWaalsContact OD1-CZ 3.24Å; D727-R729 PolarHBondContact OD1-N 3.16Å; D727-R729 VanDerWaalsContact OD1-N 3.12Å; D727-R729 IonicContact OD1-NE 2.84Å; D727-R729 PolarHBondContact OD1-NE 3.33Å; D727-R729 IonicContact OD1-NH2 2.69Å; D727-R729 PolarHBondContact OD1-NH2 2.89Å; D727-R729 IonicContact OD2-NH2 2.85Å; D727-R729 PolarHBondContact OD2-NH2 2.67Å; R729-E731 PolarHBondContact O-N 2.91Å
730P91.8Very high89.3Confident18 Ų1845 Ų4512%0.11723%0.227CC..  trans-56.2134.7163.127.1-34.6000109.8F658 K660 Y732 L771F658-P730 VanDerWaalsContact O-CD 3.3Å; F658-P730 WeakPolarHBondContact O-CD 3.46Å; F658-P730 VanDerWaalsContact O-CG 3.23Å; F658-P730 WeakPolarHBondContact O-CG 3.45Å; K660-P730 PolarHBondContact N-O 2.93Å; P730-Y732 HydrophobicContact CB-CE2 4.28Å; P730-L771 VanDerWaalsContact CA-O 3.26Å; P730-L771 WeakPolarHBondContact CA-O 3.49Å
731E90.3Very high89Confident14 Ų1453.1 Ų53.17%0.06526%0.264CS..EExtended strand (participates in β ladder)trans-121.8130.5-170.4-172.1167.5-177.500112.4K660 D727 R729 H733 L771K660-E731 HydrophobicContact CB-CB 4.35Å; K660-E731 HydrophobicContact CB-CG 4.14Å; K660-E731 HydrophobicContact CD-CB 4.46Å; K660-E731 HydrophobicContact CD-CG 3.91Å; K660-E731 WeakPolarHBondContact CD-OE2 3.18Å; K660-E731 WeakPolarHBondContact CE-OE1 3.44Å; K660-E731 VanDerWaalsContact CE-OE2 3.29Å; K660-E731 WeakPolarHBondContact CE-OE2 3.48Å; K660-E731 HydrophobicContact CG-CG 3.96Å; K660-E731 IonicContact NZ-OE1 2.73Å; K660-E731 PolarHBondContact NZ-OE1 2.93Å; K660-E731 VanDerWaalsContact NZ-OE1 3.1Å; K660-E731 IonicContact NZ-OE2 2.68Å; K660-E731 PolarHBondContact NZ-OE2 3.46Å; K660-E731 CarbonylContact O-C 3.59Å; K660-E731 VanDerWaalsContact O-CA 3.29Å; K660-E731 WeakPolarHBondContact O-CA 3.34Å; D727-E731 WeakPolarHBondContact CB-OE2 3.47Å; R729-E731 PolarHBondContact O-N 2.91Å; E731-H733 IonicContact OE1-CD2 3.23Å; E731-H733 PolarHBondContact OE1-CD2 3.42Å; E731-H733 IonicContact OE1-CE1 3.76Å; E731-H733 IonicContact OE1-NE2 3.86Å; E731-H733 PolarHBondContact OE1-NE2 2.74Å; E731-H733 IonicContact OE2-NE2 3.81Å; E731-L771 HydrophobicContact CB-CB 4.28Å; E731-L771 HydrophobicContact CB-CD1 4.3Å; E731-L771 PolarHBondContact N-O 3.2Å; E731-L771 VanDerWaalsContact O-CB 3.27Å; E731-L771 WeakPolarHBondContact O-CB 3.43Å; E731-L771 WeakPolarHBondContact O-CG 3.47Å; E731-L771 PolarHBondContact O-N 3.16Å
732Y90.1Very high88.8Confident12 Ų1260.5 Ų60.55%0.04730%0.296CS..EExtended strand (participates in β ladder)trans-106.386.8-171.2-65.9-81000110M384 M659 K660 V692 L696 P730 L768 L769 M770M384-Y732 WeakPolarHBondContact CG-OH 3.4Å; M384-Y732 HydrophobicContact SD-CE2 4.41Å; M659-Y732 HydrophobicContact CB-CD2 4.34Å; M659-Y732 HydrophobicContact CB-CE2 3.99Å; M659-Y732 HydrophobicContact CE-CD2 4.06Å; M659-Y732 HydrophobicContact CE-CE2 4.1Å; K660-Y732 PolarHBondContact O-N 2.81Å; V692-Y732 HydrophobicContact CG1-CG 4.38Å; L696-Y732 HydrophobicContact CD1-CD1 3.75Å; L696-Y732 HydrophobicContact CD1-CD2 4.08Å; L696-Y732 HydrophobicContact CD1-CE1 3.96Å; L696-Y732 HydrophobicContact CD1-CE2 4.29Å; L696-Y732 HydrophobicContact CD1-CG 3.83Å; L696-Y732 HydrophobicContact CD2-CD1 4.14Å; L696-Y732 HydrophobicContact CD2-CE1 3.92Å; P730-Y732 HydrophobicContact CB-CE2 4.28Å; Y732-L768 HydrophobicContact CD1-CD2 3.93Å; Y732-L768 HydrophobicContact CD1-CG 4.22Å; Y732-L768 HydrophobicContact CG-CD2 4.45Å; Y732-L769 WeakPolarHBondContact CA-O 3.4Å; Y732-M770 HydrophobicContact CD1-CG 4.22Å; Y732-M770 HydrophobicContact CE1-CB 4.29Å; Y732-M770 HydrophobicContact CE1-CE 4.3Å; Y732-M770 HydrophobicContact CE1-CG 3.91Å
733H84.8Confident88.9Confident16 Ų1661 Ų617%0.07429%0.293CS..EExtended strand (participates in β ladder)trans-86145.6178.1-80.8-168.9000110.8E731 Q754 L768 L769 L771E731-H733 IonicContact OE1-CD2 3.23Å; E731-H733 PolarHBondContact OE1-CD2 3.42Å; E731-H733 IonicContact OE1-CE1 3.76Å; E731-H733 IonicContact OE1-NE2 3.86Å; E731-H733 PolarHBondContact OE1-NE2 2.74Å; E731-H733 IonicContact OE2-NE2 3.81Å; H733-Q754 HydrophobicContact CB-CG 4.34Å; H733-L768 CarbonylContact O-C 3.46Å; H733-L768 WeakPolarHBondContact O-CA 3.4Å; H733-L769 HydrophobicContact CB-CB 3.93Å; H733-L769 HydrophobicContact CB-CD1 4.09Å; H733-L769 PolarHBondContact N-O 2.83Å; H733-L769 VanDerWaalsContact N-O 3.15Å; H733-L769 WeakPolarHBondContact O-CB 3.26Å; H733-L769 PolarHBondContact O-N 3.18Å; H733-L771 HydrophobicContact CB-CD1 4.31Å
734R86.6Confident89Confident1 Ų161.4 Ų61.40%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-94.3135.6176.4-69.6143.3-62.7135.614110T751 Q754 S761 M762 A765 L768R734-T751 PolarHBondContact O-N 3.08Å; R734-T751 PolarHBondContact O-OG1 2.86Å; R734-T751 VanDerWaalsContact O-OG1 3.1Å; R734-Q754 VanDerWaalsContact N-OE1 3.11Å; R734-Q754 PolarHBondContact O-NE2 3.17Å; R734-S761 VanDerWaalsContact CZ-OG 3.23Å; R734-S761 PolarHBondContact NH1-OG 2.62Å; R734-S761 PolarHBondContact NH2-OG 3.3Å; R734-M762 WeakPolarHBondContact CD-SD 3.37Å; R734-M762 HydrophobicContact CG-SD 4.32Å; R734-A765 HydrophobicContact CB-CB 3.84Å; R734-A765 HydrophobicContact CG-CB 4.46Å; R734-L768 HydrophobicContact CG-CD1 3.66Å
735C89.4Confident89.2Confident0 Ų062.9 Ų62.90%031%0.308CS..EExtended strand (participates in β ladder)trans-132.7158.3-175.562.90000112.4A748 Q749 A765 N766 G767 L769 V789C735-A748 HydrophobicContact CB-CB 4.19Å; C735-Q749 CarbonylContact C-O 3.5Å; C735-Q749 WeakPolarHBondContact CA-O 3.35Å; C735-Q749 WeakPolarHBondContact CB-O 3.26Å; C735-A765 WeakPolarHBondContact O-CA 3.06Å; C735-N766 PolarHBondContact O-N 2.81Å; C735-N766 PolarHBondContact O-OD1 2.74Å; C735-G767 PolarHBondContact N-O 3.25Å; C735-G767 PolarHBondContact O-N 2.75Å; C735-G767 VanDerWaalsContact O-N 3.15Å; C735-G767 PolarHBondContact SG-O 3.04Å; C735-L769 HydrophobicContact CB-CD1 3.79Å; C735-L769 HydrophobicContact CB-CG 4Å; C735-V789 VanDerWaalsContact SG-CG1 3.57Å
736I90.4Very high89.5Confident53 Ų5355.8 Ų55.827%0.27228%0.278SS..EExtended strand (participates in β ladder)trans-95.5119.5160.8-39.8-169.9000106.5Q749 T751 S764 N766I736-Q749 PolarHBondContact N-O 2.79Å; I736-Q749 PolarHBondContact O-N 3.45Å; I736-T751 HydrophobicContact CG1-CG2 4.01Å; I736-S764 WeakPolarHBondContact CG1-O 3.38Å; I736-N766 WeakPolarHBondContact CA-OD1 3.41Å
737L91.5Very high89.7Confident7 Ų757.5 Ų57.54%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-84.2120.8168.8-74163.9000108.6I716 A718 W739 P746 W747 A748 N766 V789 V791 L795I716-L737 HydrophobicContact CD1-CD1 3.65Å; I716-L737 HydrophobicContact CD1-CD2 3.99Å; I716-L737 HydrophobicContact CD1-CG 4.4Å; I716-L737 HydrophobicContact CG1-CD1 4.32Å; I716-L737 HydrophobicContact CG1-CD2 4.49Å; A718-L737 HydrophobicContact CB-CD2 3.75Å; L737-W739 HydrophobicContact CB-CH2 4.34Å; L737-W739 HydrophobicContact CB-CZ3 3.91Å; L737-P746 HydrophobicContact CD2-CB 4.12Å; L737-P746 HydrophobicContact CD2-CG 4.08Å; L737-W747 WeakPolarHBondContact CA-O 3.4Å; L737-A748 HydrophobicContact CD2-CB 4.23Å; L737-N766 PolarHBondContact N-OD1 2.92Å; L737-N766 PolarHBondContact O-ND2 2.93Å; L737-V789 HydrophobicContact CD1-CG1 3.72Å; L737-V789 HydrophobicContact CD2-CB 4.16Å; L737-V789 HydrophobicContact CD2-CG1 3.97Å; L737-V789 HydrophobicContact CD2-CG2 4.12Å; L737-V789 HydrophobicContact CG-CG1 3.99Å; L737-V791 HydrophobicContact CD1-CG2 4.44Å; L737-L795 HydrophobicContact CB-CD2 4.2Å; L737-L795 HydrophobicContact CD1-CD2 3.71Å
738T90.1Very high89.8Confident55 Ų5556.4 Ų56.434%0.33728%0.278SS..EExtended strand (participates in β ladder)trans-126.8124179.7-55.20000109.7P746 W747T738-P746 WeakPolarHBondContact O-CA 3.41Å; T738-W747 PolarHBondContact N-O 2.79Å; T738-W747 PolarHBondContact O-N 3.31Å
739W91.4Very high89.8Confident128 Ų12857.4 Ų57.449%0.48528%0.275SS..PPolyproline II helixtrans-83.1116.7170.4-81.1-100.9000109.7I716 L737 P746 L795I716-W739 HydrophobicContact CD1-CH2 3.63Å; I716-W739 HydrophobicContact CD1-CZ2 3.89Å; L737-W739 HydrophobicContact CB-CH2 4.34Å; L737-W739 HydrophobicContact CB-CZ3 3.91Å; W739-P746 HydrophobicContact CD2-CB 3.78Å; W739-P746 HydrophobicContact CD2-CG 4.5Å; W739-P746 HydrophobicContact CE3-CB 4.02Å; W739-P746 HydrophobicContact CG-CB 4.32Å; W739-P746 HydrophobicContact CH2-CB 3.98Å; W739-P746 HydrophobicContact CH2-CG 4.04Å; W739-P746 HydrophobicContact CZ2-CB 3.76Å; W739-P746 HydrophobicContact CZ2-CG 3.62Å; W739-P746 HydrophobicContact CZ3-CB 4.12Å; W739-L795 HydrophobicContact CH2-CD1 3.81Å; W739-L795 HydrophobicContact CH2-CD2 4.36Å; W739-L795 HydrophobicContact CZ3-CB 4.47Å; W739-L795 HydrophobicContact CZ3-CD1 4.26Å; W739-L795 HydrophobicContact CZ3-CD2 4.21Å
740H90.4Very high89.5Confident94 Ų9455.3 Ų55.344%0.43527%0.271SS..PPolyproline II helixtrans-83.4139.9171.1-76.9-104.2000109.6Q742 E743 W747H740-Q742 PolarHBondContact O-N 2.6Å; H740-E743 HydrophobicContact CB-CB 4.4Å; H740-E743 HydrophobicContact CB-CG 4.49Å; H740-E743 PolarHBondContact O-N 3.11Å; H740-E743 VanDerWaalsContact O-N 3.16Å; H740-W747 AromaticContact CD2-CD1 3.43Å; H740-W747 VanDerWaalsContact CD2-CD1 3.43Å; H740-W747 AromaticContact CD2-CG 3.96Å; H740-W747 AromaticContact CG-CD1 3.97Å
741H86.2Confident89Confident172 Ų17255.9 Ų55.980%0.79627%0.274SS*.THydrogen-bonded Turntrans-60.4135.9-177.8-160.571.9000110.2E743H741-E743 PolarHBondContact O-N 2.78Å
742Q84.8Confident88.3Confident185 Ų18557.3 Ų57.386%0.86429%0.293SS*.THydrogen-bonded Turntrans67.41.7-175.4-55171.15.300116.8H740H740-Q742 PolarHBondContact O-N 2.6Å
743E88.8Confident87.4Confident62 Ų6261.9 Ų61.929%0.2932%0.318SS..  trans-94.5139.6171.1-77.4-163-122.200113.1R719 H740 H741 W747R719-E743 IonicContact CZ-OE2 2.72Å; R719-E743 IonicContact NH1-OE2 2.72Å; R719-E743 PolarHBondContact NH1-OE2 2.73Å; H740-E743 HydrophobicContact CB-CB 4.4Å; H740-E743 HydrophobicContact CB-CG 4.49Å; H740-E743 PolarHBondContact O-N 3.11Å; H740-E743 VanDerWaalsContact O-N 3.16Å; H741-E743 PolarHBondContact O-N 2.78Å; E743-W747 PolarHBondContact OE1-NE1 3.37Å; E743-W747 PolarHBondContact OE2-NE1 2.73Å
744P90.1Very high86.5Confident112 Ų11262.6 Ų62.673%0.72732%0.321SS*.SBendtrans-82.9-10.1-178.734-37000114.3
745L91.8Very high85.9Confident43 Ų4365.8 Ų65.823%0.22534%0.34CS..SBendtrans-123.5137.5179.3-66.8176.8000109.8K717 R719 V786K717-L745 HydrophobicContact CB-CD2 4.26Å; R719-L745 HydrophobicContact CG-CB 4.23Å; R719-L745 HydrophobicContact CG-CD1 4.15Å; L745-V786 HydrophobicContact CD1-CG1 4.43Å; L745-V786 HydrophobicContact CD1-CG2 3.86Å
746P93.9Very high84.8Confident6 Ų667.5 Ų67.54%0.03935%0.352CS..  trans-65.9151.5169.327.9-33.4000111I716 K717 A718 R719 L737 T738 W739I716-P746 HydrophobicContact CD1-CG 3.97Å; K717-P746 WeakPolarHBondContact O-CD 3.44Å; A718-P746 CarbonylContact C-O 3.55Å; A718-P746 VanDerWaalsContact CA-O 3.27Å; A718-P746 WeakPolarHBondContact CA-O 3.21Å; A718-P746 HydrophobicContact CB-CG 3.97Å; A718-P746 WeakPolarHBondContact CB-O 3.21Å; R719-P746 PolarHBondContact N-O 2.95Å; L737-P746 HydrophobicContact CD2-CB 4.12Å; L737-P746 HydrophobicContact CD2-CG 4.08Å; T738-P746 WeakPolarHBondContact O-CA 3.41Å; W739-P746 HydrophobicContact CD2-CB 3.78Å; W739-P746 HydrophobicContact CD2-CG 4.5Å; W739-P746 HydrophobicContact CE3-CB 4.02Å; W739-P746 HydrophobicContact CG-CB 4.32Å; W739-P746 HydrophobicContact CH2-CB 3.98Å; W739-P746 HydrophobicContact CH2-CG 4.04Å; W739-P746 HydrophobicContact CZ2-CB 3.76Å; W739-P746 HydrophobicContact CZ2-CG 3.62Å; W739-P746 HydrophobicContact CZ3-CB 4.12Å
747W92.3Very high83.8Confident51 Ų5168.4 Ų68.419%0.19336%0.364CS..EExtended strand (participates in β ladder)trans-89.8132165.9-72.879.5000109.5R719 L720 L737 T738 H740 E743 K783R719-W747 HydrophobicContact CB-CD2 3.89Å; R719-W747 HydrophobicContact CB-CE3 3.86Å; R719-W747 HydrophobicContact CB-CG 4.34Å; R719-W747 HydrophobicContact CB-CZ3 4.22Å; R719-W747 CarbonylContact O-C 3.48Å; R719-W747 WeakPolarHBondContact O-CA 3.3Å; L720-W747 VanDerWaalsContact O-CZ3 3.31Å; L720-W747 WeakPolarHBondContact O-CZ3 3.35Å; L737-W747 WeakPolarHBondContact CA-O 3.4Å; T738-W747 PolarHBondContact N-O 2.79Å; T738-W747 PolarHBondContact O-N 3.31Å; H740-W747 AromaticContact CD2-CD1 3.43Å; H740-W747 VanDerWaalsContact CD2-CD1 3.43Å; H740-W747 AromaticContact CD2-CG 3.96Å; H740-W747 AromaticContact CG-CD1 3.97Å; E743-W747 PolarHBondContact OE1-NE1 3.37Å; E743-W747 PolarHBondContact OE2-NE1 2.73Å; W747-K783 HydrophobicContact CZ3-CG 4.1Å
748A91.8Very high83.1Confident1 Ų173.9 Ų73.91%0.00838%0.384CS..EExtended strand (participates in β ladder)trans-99.5103.4175.700000109.6A718 R719 S721 C735 L737 L769 V789A718-A748 HydrophobicContact CB-CB 3.81Å; R719-A748 PolarHBondContact O-N 3.28Å; S721-A748 PolarHBondContact N-O 2.96Å; S721-A748 VanDerWaalsContact N-O 3.16Å; S721-A748 PolarHBondContact OG-O 3.03Å; C735-A748 HydrophobicContact CB-CB 4.19Å; L737-A748 HydrophobicContact CD2-CB 4.23Å; A748-L769 HydrophobicContact CB-CD1 4.47Å; A748-L769 HydrophobicContact CB-CD2 3.95Å; A748-L769 HydrophobicContact CB-CG 4.29Å; A748-V789 HydrophobicContact CB-CG2 4Å
749Q88.9Confident82.3Confident109 Ų10974 Ų7451%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-91.6112.8177.5-173.21765.300111.3S721 C735 I736S721-Q749 WeakPolarHBondContact OG-CA 3.18Å; C735-Q749 CarbonylContact C-O 3.5Å; C735-Q749 WeakPolarHBondContact CA-O 3.35Å; C735-Q749 WeakPolarHBondContact CB-O 3.26Å; I736-Q749 PolarHBondContact N-O 2.79Å; I736-Q749 PolarHBondContact O-N 3.45Å
750S84.7Confident81.4Confident23 Ų2374.2 Ų74.216%0.16139%0.39CS..EExtended strand (participates in β ladder)trans-61.9135.8175.9-175.50000111.2G752 Q754S750-G752 PolarHBondContact O-N 3.28Å; S750-Q754 PolarHBondContact OG-NE2 3.5Å; S750-Q754 VanDerWaalsContact OG-NE2 3.07Å
751T81Confident80.4Confident29 Ų2970 Ų7018%0.17837%0.371CS..  trans-75.236.3-174.854.70000114.6R734 I736 Q754 S761 A765R734-T751 PolarHBondContact O-N 3.08Å; R734-T751 PolarHBondContact O-OG1 2.86Å; R734-T751 VanDerWaalsContact O-OG1 3.1Å; I736-T751 HydrophobicContact CG1-CG2 4.01Å; T751-Q754 PolarHBondContact OG1-NE2 2.8Å; T751-Q754 VanDerWaalsContact OG1-NE2 3.15Å; T751-S761 WeakPolarHBondContact CB-O 3.48Å; T751-S761 WeakPolarHBondContact OG1-CB 3.41Å; T751-S761 PolarHBondContact OG1-O 3.36Å; T751-A765 HydrophobicContact CG2-CB 4.36Å
752G75.4Confident79.6Confident45 Ų4563.4 Ų63.446%0.46434%0.341SS..SBendtrans74.9-152-17700000112.9S750 Q754S750-G752 PolarHBondContact O-N 3.28Å; G752-Q754 WeakPolarHBondContact O-CG 3.41Å; G752-Q754 PolarHBondContact O-N 2.99Å; G752-Q754 VanDerWaalsContact O-N 3.14Å; G752-Q754 PolarHBondContact O-NE2 2.87Å; G752-Q754 VanDerWaalsContact O-NE2 3.17Å
753N71.4Confident78.9Confident107 Ų10764.2 Ų64.257%0.57234%0.336SS*.  trans-59.8115.1-172.9-170.5-0.6000112.9V755 R758N753-V755 VanDerWaalsContact C-N 3.3Å; N753-V755 PolarHBondContact O-N 2.9Å; N753-V755 WeakPolarHBondContact OD1-CG2 3.22Å; N753-R758 WeakPolarHBondContact O-CD 3.46Å
754Q65Low78.1Confident31 Ų3164.6 Ų64.615%0.14535%0.346CS..  trans-8523.8-169.8-61.8-70.3-38.700114.6H733 R734 S750 T751 G752 S756H733-Q754 HydrophobicContact CB-CG 4.34Å; R734-Q754 VanDerWaalsContact N-OE1 3.11Å; R734-Q754 PolarHBondContact O-NE2 3.17Å; S750-Q754 PolarHBondContact OG-NE2 3.5Å; S750-Q754 VanDerWaalsContact OG-NE2 3.07Å; T751-Q754 PolarHBondContact OG1-NE2 2.8Å; T751-Q754 VanDerWaalsContact OG1-NE2 3.15Å; G752-Q754 WeakPolarHBondContact O-CG 3.41Å; G752-Q754 PolarHBondContact O-N 2.99Å; G752-Q754 VanDerWaalsContact O-N 3.14Å; G752-Q754 PolarHBondContact O-NE2 2.87Å; G752-Q754 VanDerWaalsContact O-NE2 3.17Å; Q754-S756 PolarHBondContact O-N 2.85Å
755V73.8Confident77.6Confident68 Ų6860.1 Ų60.141%0.41232%0.318SS..  trans-55.7131.8175-169.50000110.2N753 S757 R758N753-V755 VanDerWaalsContact C-N 3.3Å; N753-V755 PolarHBondContact O-N 2.9Å; N753-V755 WeakPolarHBondContact OD1-CG2 3.22Å; V755-S757 PolarHBondContact O-N 3.2Å; V755-R758 WeakPolarHBondContact O-CB 3.39Å; V755-R758 PolarHBondContact O-N 2.83Å
756S67.8Low77.4Confident36 Ų3659 Ų5925%0.25231%0.313SS..THydrogen-bonded Turntrans-64.1-11.1-171.654.40000115.3N686 V688 Q754N686-S756 CarbonylContact C-O 3.58Å; N686-S756 VanDerWaalsContact CA-O 3.31Å; N686-S756 WeakPolarHBondContact CA-O 3.46Å; N686-S756 WeakPolarHBondContact CB-O 3.37Å; N686-S756 PolarHBondContact ND2-OG 2.96Å; N686-S756 VanDerWaalsContact OD1-CB 3.31Å; N686-S756 WeakPolarHBondContact OD1-CB 3.5Å; N686-S756 PolarHBondContact OD1-O 2.96Å; N686-S756 PolarHBondContact OD1-OG 3.02Å; V688-S756 VanDerWaalsContact CB-O 3.27Å; V688-S756 WeakPolarHBondContact CB-O 3.46Å; V688-S756 WeakPolarHBondContact CG2-O 3.48Å; V688-S756 PolarHBondContact N-O 2.79Å; Q754-S756 PolarHBondContact O-N 2.85Å
757S69.6Low77.2Confident72 Ų7258.8 Ų58.850%0.50331%0.311SS..THydrogen-bonded Turntrans-89.7-17.2172.656.30000113.9N686 V755 L759N686-S757 PolarHBondContact OD1-N 3Å; V755-S757 PolarHBondContact O-N 3.2Å; S757-L759 PolarHBondContact O-N 2.72Å
758R76Confident77.2Confident123 Ų12356.4 Ų56.446%0.46430%0.302SS..  trans-8472.4-168.5-164.3-172.7-172.6-160.72.4112.8N753 V755 M760 S761N753-R758 WeakPolarHBondContact O-CD 3.46Å; V755-R758 WeakPolarHBondContact O-CB 3.39Å; V755-R758 PolarHBondContact O-N 2.83Å; R758-M760 PolarHBondContact O-N 3.13Å; R758-S761 PolarHBondContact O-N 3.29Å; R758-S761 PolarHBondContact O-OG 3.36Å
759L73.6Confident77.2Confident57 Ų5756.3 Ų56.330%0.29830%0.301SS..G310 helixtrans-49.9-33.3-177.6-176.959.1000114.4P687 S757 S761 M762P687-L759 HydrophobicContact CB-CB 4.18Å; P687-L759 HydrophobicContact CB-CD1 3.92Å; P687-L759 HydrophobicContact CB-CD2 4.33Å; P687-L759 HydrophobicContact CB-CG 4.37Å; S757-L759 PolarHBondContact O-N 2.72Å; L759-S761 PolarHBondContact O-N 3.07Å; L759-M762 HydrophobicContact CD1-CB 4.39Å; L759-M762 HydrophobicContact CD1-CG 3.74Å; L759-M762 VanDerWaalsContact O-CB 3.3Å; L759-M762 WeakPolarHBondContact O-CB 3.3Å; L759-M762 WeakPolarHBondContact O-CG 3.49Å; L759-M762 PolarHBondContact O-N 2.84Å
760M71.6Confident77.4Confident132 Ų13253.6 Ų53.665%0.6529%0.289SS*.G310 helixtrans-49.6-29.3174.8-80.6-66.9-71.300114.7R758 M762 R763R758-M760 PolarHBondContact O-N 3.13Å; M760-M762 PolarHBondContact O-N 3.39Å; M760-R763 PolarHBondContact O-N 3.17Å
761S69.6Low77.7Confident5 Ų552.7 Ų52.74%0.03528%0.282CS..G310 helixtrans-72.50.6177.153.80000114.4R734 T751 R758 L759R734-S761 VanDerWaalsContact CZ-OG 3.23Å; R734-S761 PolarHBondContact NH1-OG 2.62Å; R734-S761 PolarHBondContact NH2-OG 3.3Å; T751-S761 WeakPolarHBondContact CB-O 3.48Å; T751-S761 WeakPolarHBondContact OG1-CB 3.41Å; T751-S761 PolarHBondContact OG1-O 3.36Å; R758-S761 PolarHBondContact O-N 3.29Å; R758-S761 PolarHBondContact O-OG 3.36Å; L759-S761 PolarHBondContact O-N 3.07Å
762M69.8Low78.2Confident35 Ų3554.2 Ų54.217%0.17229%0.293CS..G310 helixtrans-86.3-26.8166.5-64.3-60-4200114V691 R734 L759 M760 S764 A765V691-M762 HydrophobicContact CB-CE 4.32Å; V691-M762 HydrophobicContact CB-SD 4.26Å; V691-M762 HydrophobicContact CG1-CE 3.6Å; V691-M762 HydrophobicContact CG1-SD 4.2Å; R734-M762 WeakPolarHBondContact CD-SD 3.37Å; R734-M762 HydrophobicContact CG-SD 4.32Å; L759-M762 HydrophobicContact CD1-CB 4.39Å; L759-M762 HydrophobicContact CD1-CG 3.74Å; L759-M762 VanDerWaalsContact O-CB 3.3Å; L759-M762 WeakPolarHBondContact O-CB 3.3Å; L759-M762 WeakPolarHBondContact O-CG 3.49Å; L759-M762 PolarHBondContact O-N 2.84Å; M760-M762 PolarHBondContact O-N 3.39Å; M762-S764 PolarHBondContact O-N 2.78Å; M762-A765 PolarHBondContact O-N 3.09Å
763R70.8Confident78.9Confident202 Ų20254.8 Ų54.876%0.76229%0.289SS*.THydrogen-bonded Turntrans-62.2-13.4-156.7-151.9-169.881167.34.6116.1M760M760-R763 PolarHBondContact O-N 3.17Å
764S70.5Confident79.8Confident70 Ų7054.3 Ų54.349%0.4928%0.281SS..THydrogen-bonded Turntrans-139.516.8179.3-53.60000112.1I736 M762 N766I736-S764 WeakPolarHBondContact CG1-O 3.38Å; M762-S764 PolarHBondContact O-N 2.78Å; S764-N766 PolarHBondContact O-N 2.88Å
765A80.7Confident80.9Confident18 Ų1856.1 Ų56.115%0.14930%0.295CS..  trans-85.3110.9-176.900000111R734 C735 T751 M762 I792R734-A765 HydrophobicContact CB-CB 3.84Å; R734-A765 HydrophobicContact CG-CB 4.46Å; C735-A765 WeakPolarHBondContact O-CA 3.06Å; T751-A765 HydrophobicContact CG2-CB 4.36Å; M762-A765 PolarHBondContact O-N 3.09Å; A765-I792 HydrophobicContact CB-CD1 4.48Å
766N87.9Confident81.3Confident20 Ų2062.1 Ų62.111%0.10732%0.318CS..  trans-95.8-13.3170.861.50.5000112.3C735 I736 L737 S764 I792 G793 L795C735-N766 PolarHBondContact O-N 2.81Å; C735-N766 PolarHBondContact O-OD1 2.74Å; I736-N766 WeakPolarHBondContact CA-OD1 3.41Å; L737-N766 PolarHBondContact N-OD1 2.92Å; L737-N766 PolarHBondContact O-ND2 2.93Å; S764-N766 PolarHBondContact O-N 2.88Å; N766-I792 WeakPolarHBondContact O-CG1 3.48Å; N766-I792 PolarHBondContact O-N 3.25Å; N766-G793 PolarHBondContact O-N 2.74Å; N766-G793 VanDerWaalsContact O-N 3.08Å; N766-L795 HydrophobicContact CB-CD2 4.08Å
767G89.6Confident82.1Confident0 Ų068.5 Ų68.50%034%0.344CS..EExtended strand (participates in β ladder)trans-132.9160.7179.200000114.8C735 M790C735-G767 PolarHBondContact N-O 3.25Å; C735-G767 PolarHBondContact O-N 2.75Å; C735-G767 VanDerWaalsContact O-N 3.15Å; C735-G767 PolarHBondContact SG-O 3.04Å; G767-M790 CarbonylContact C-O 3.54Å; G767-M790 WeakPolarHBondContact CA-O 3.32Å
768L91.4Very high82.7Confident1 Ų171.7 Ų71.71%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-125.2100.5176.3-171.472.6000109.2V692 L696 Y732 H733 R734 M770 V789 M790 I792V692-L768 HydrophobicContact CG1-CD1 4.44Å; V692-L768 HydrophobicContact CG1-CD2 4.28Å; V692-L768 HydrophobicContact CG2-CD1 3.9Å; L696-L768 HydrophobicContact CD1-CD2 4.11Å; L696-L768 HydrophobicContact CD2-CD2 4.01Å; L696-L768 HydrophobicContact CG-CD2 3.94Å; Y732-L768 HydrophobicContact CD1-CD2 3.93Å; Y732-L768 HydrophobicContact CD1-CG 4.22Å; Y732-L768 HydrophobicContact CG-CD2 4.45Å; H733-L768 CarbonylContact O-C 3.46Å; H733-L768 WeakPolarHBondContact O-CA 3.4Å; R734-L768 HydrophobicContact CG-CD1 3.66Å; L768-M770 PolarHBondContact O-N 2.82Å; L768-V789 WeakPolarHBondContact O-CA 3.3Å; L768-M790 HydrophobicContact CB-CB 4.27Å; L768-M790 HydrophobicContact CD2-SD 4.46Å; L768-M790 PolarHBondContact N-O 2.86Å; L768-M790 PolarHBondContact O-N 3.11Å; L768-I792 HydrophobicContact CB-CG2 3.9Å
769L91.6Very high83.3Confident0 Ų068.8 Ų68.80%034%0.342CS..EExtended strand (participates in β ladder)trans-55.4127.6171.6-83.7160.6000110.4L720 Y732 H733 C735 A748 L771 V787 V789L720-L769 HydrophobicContact CD2-CD1 4.19Å; L720-L769 HydrophobicContact CD2-CD2 3.84Å; Y732-L769 WeakPolarHBondContact CA-O 3.4Å; H733-L769 HydrophobicContact CB-CB 3.93Å; H733-L769 HydrophobicContact CB-CD1 4.09Å; H733-L769 PolarHBondContact N-O 2.83Å; H733-L769 VanDerWaalsContact N-O 3.15Å; H733-L769 WeakPolarHBondContact O-CB 3.26Å; H733-L769 PolarHBondContact O-N 3.18Å; C735-L769 HydrophobicContact CB-CD1 3.79Å; C735-L769 HydrophobicContact CB-CG 4Å; A748-L769 HydrophobicContact CB-CD1 4.47Å; A748-L769 HydrophobicContact CB-CD2 3.95Å; A748-L769 HydrophobicContact CB-CG 4.29Å; L769-L771 HydrophobicContact CB-CD2 4.46Å; L769-L771 HydrophobicContact CB-CG 4.5Å; L769-V787 HydrophobicContact CD2-CB 4.21Å; L769-V787 HydrophobicContact CD2-CG2 3.36Å; L769-V789 HydrophobicContact CD2-CG2 3.68Å; L769-V789 HydrophobicContact CG-CG2 4.1Å
770M92.8Very high84.1Confident52 Ų5269.2 Ų69.226%0.25634%0.342SS..EExtended strand (participates in β ladder)trans-104.285.6178.5-59.6179.658.600108.8I715 Y732 L768 D788 M790I715-M770 HydrophobicContact CD1-CE 4.08Å; I715-M770 HydrophobicContact CD1-SD 3.79Å; I715-M770 HydrophobicContact CG1-SD 4.05Å; I715-M770 HydrophobicContact CG2-SD 4.34Å; Y732-M770 HydrophobicContact CD1-CG 4.22Å; Y732-M770 HydrophobicContact CE1-CB 4.29Å; Y732-M770 HydrophobicContact CE1-CE 4.3Å; Y732-M770 HydrophobicContact CE1-CG 3.91Å; L768-M770 PolarHBondContact O-N 2.82Å; M770-D788 HydrophobicContact CB-CB 4.1Å; M770-D788 PolarHBondContact N-O 3.09Å; M770-M790 HydrophobicContact CG-CB 4.35Å; M770-M790 HydrophobicContact SD-CB 3.89Å
771L90.9Very high84.9Confident3 Ų363.7 Ų63.72%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-80.3133.8-176.8-55.2172.1000110.4V724 L726 P730 E731 H733 L769 L781V724-L771 HydrophobicContact CG1-CD1 3.7Å; L726-L771 HydrophobicContact CD2-CB 4.12Å; P730-L771 VanDerWaalsContact CA-O 3.26Å; P730-L771 WeakPolarHBondContact CA-O 3.49Å; E731-L771 HydrophobicContact CB-CB 4.28Å; E731-L771 HydrophobicContact CB-CD1 4.3Å; E731-L771 PolarHBondContact N-O 3.2Å; E731-L771 VanDerWaalsContact O-CB 3.27Å; E731-L771 WeakPolarHBondContact O-CB 3.43Å; E731-L771 WeakPolarHBondContact O-CG 3.47Å; E731-L771 PolarHBondContact O-N 3.16Å; H733-L771 HydrophobicContact CB-CD1 4.31Å; L769-L771 HydrophobicContact CB-CD2 4.46Å; L769-L771 HydrophobicContact CB-CG 4.5Å; L771-L781 HydrophobicContact CD2-CD1 4.23Å
772P91.3Very high85.9Confident61 Ų6167.5 Ų67.540%0.39633%0.332SS..PPolyproline II helixtrans-67.2155.2178.129.4-35.1000111.5L726 L781L726-P772 HydrophobicContact CD1-CG 4.18Å; P772-L781 HydrophobicContact CG-CD1 4.27Å
773P91.1Very high86.9Confident58 Ų5872.1 Ų72.138%0.37735%0.351SS..PPolyproline II helixtrans-63.8142.5171.128.6-34.2000110.7P728 T775P728-P773 WeakPolarHBondContact O-CB 3.43Å; P773-T775 PolarHBondContact O-N 2.91Å
774K90.4Very high87.7Confident97 Ų9763.8 Ų63.842%0.42233%0.328SS..PPolyproline II helixtrans-53.5133.6173173.5170.4173.5172.20111.3L726 D727 V779L726-K774 HydrophobicContact CB-CB 3.79Å; D727-K774 WeakPolarHBondContact O-CB 3.48Å; D727-K774 PolarHBondContact O-N 2.92Å; K774-V779 HydrophobicContact CD-CG1 4.25Å
775T87.5Confident88.8Confident69 Ų6963.9 Ų63.942%0.42332%0.321SS..  trans-113.4-179.8167.660.70000110.2P773 Q777 Y778P773-T775 PolarHBondContact O-N 2.91Å; T775-Q777 PolarHBondContact O-N 2.91Å; T775-Q777 PolarHBondContact OG1-N 2.79Å; T775-Y778 PolarHBondContact N-O 3.3Å; T775-Y778 PolarHBondContact OG1-N 2.77Å
776E83.6Confident89.4Confident193 Ų19366.9 Ų66.990%0.90234%0.337SS*.SBendtrans-69.5-23.6172.6-62.7-175.2165.900112.5
777Q82.7Confident89.7Confident170 Ų17066.4 Ų66.479%0.79434%0.335SS*.SBendtrans-94.2-46.1-179.5-64.8174.3-600111.8T775T775-Q777 PolarHBondContact O-N 2.91Å; T775-Q777 PolarHBondContact OG1-N 2.79Å
778Y83.9Confident89.9Confident140 Ų14069 Ų6955%0.54935%0.349SS..  trans-102.6103.3179.3-65-87.2000110.1T775T775-Y778 PolarHBondContact N-O 3.3Å; T775-Y778 PolarHBondContact OG1-N 2.77Å
779V88.1Confident90Very high61 Ų6168.9 Ų68.937%0.3735%0.348SS..SBendtrans-106.4-30.7-176.8-1790000112.2L726 K774L726-V779 PolarHBondContact N-O 2.92Å; K774-V779 HydrophobicContact CD-CG1 4.25Å
780E89.3Confident90.2Very high67 Ų6769.2 Ų69.231%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-144.9159.4174.455.2-166.4-154.200108.8V724 K725 H782V724-E780 CarbonylContact O-C 3.58Å; V724-E780 VanDerWaalsContact O-CA 3.3Å; V724-E780 WeakPolarHBondContact O-CA 3.48Å; K725-E780 HydrophobicContact CB-CB 4.44Å; K725-E780 HydrophobicContact CG-CB 4.13Å; K725-E780 IonicContact NZ-OE2 3.97Å; K725-E780 PolarHBondContact NZ-OE2 2.99Å; E780-H782 IonicContact OE1-CE1 3.72Å
781L88.6Confident90.2Very high15 Ų1568 Ų688%0.07935%0.346CS..EExtended strand (participates in β ladder)trans-113.4144.6172.3-62.9177.7000108.8L720 D723 V724 L726 L771 P772 E785 V787L720-L781 HydrophobicContact CD1-CB 3.55Å; L720-L781 HydrophobicContact CD1-CD1 4.24Å; D723-L781 CarbonylContact C-O 3.56Å; D723-L781 VanDerWaalsContact CA-O 3.25Å; D723-L781 WeakPolarHBondContact CA-O 3.35Å; V724-L781 PolarHBondContact N-O 2.84Å; V724-L781 PolarHBondContact O-N 2.84Å; L726-L781 HydrophobicContact CD1-CG 4.25Å; L726-L781 HydrophobicContact CD2-CD1 4.04Å; L726-L781 HydrophobicContact CD2-CG 4.05Å; L726-L781 HydrophobicContact CG-CG 4.38Å; L771-L781 HydrophobicContact CD2-CD1 4.23Å; P772-L781 HydrophobicContact CG-CD1 4.27Å; L781-E785 WeakPolarHBondContact CD2-OE2 3.47Å; L781-E785 WeakPolarHBondContact CB-OE2 3.38Å; L781-E785 WeakPolarHBondContact CA-OE2 3.35Å; L781-V787 HydrophobicContact CD1-CG1 3.83Å
782H90.6Very high90.1Very high85 Ų8569 Ų6939%0.39435%0.351SS..  trans-101.9155.6-172.4-62.1-65.4000112.9D723 E780 G784 E785D723-H782 WeakPolarHBondContact OD1-CA 3.37Å; E780-H782 IonicContact OE1-CE1 3.72Å; H782-G784 PolarHBondContact O-N 3.01Å; H782-E785 VanDerWaalsContact O-N 3.1Å; H782-E785 PolarHBondContact O-N 3Å; H782-E785 WeakPolarHBondContact O-CG 3.48Å; H782-E785 WeakPolarHBondContact O-CB 3.49Å; H782-E785 VanDerWaalsContact O-CB 3.32Å; H782-E785 PolarHBondContact N-OE2 2.89Å; H782-E785 IonicContact CD2-OE1 2.72Å; H782-E785 HydrophobicContact CB-CG 4.22Å
783K90.8Very high89.7Confident133 Ų13367 Ų6758%0.57834%0.342SS*.THydrogen-bonded Turntrans-52.9130.2173179.8177.2-176.7179.10111.2L720 S721 D723 W747L720-K783 WeakPolarHBondContact O-CA 3.28Å; S721-K783 VanDerWaalsContact O-CD 3.24Å; S721-K783 WeakPolarHBondContact O-CD 3.5Å; S721-K783 VanDerWaalsContact O-CE 3.26Å; S721-K783 WeakPolarHBondContact O-CE 3.33Å; S721-K783 WeakPolarHBondContact O-CG 3.12Å; D723-K783 PolarHBondContact OD1-N 2.79Å; W747-K783 HydrophobicContact CZ3-CG 4.1Å
784G89.4Confident89.3Confident27 Ų2775.5 Ų75.528%0.27837%0.366SS..THydrogen-bonded Turntrans89.7-11-179.300000114.8L720 H782L720-G784 PolarHBondContact O-N 2.81Å; H782-G784 PolarHBondContact O-N 3.01Å
785E92.5Very high89Confident71 Ų7176.7 Ų76.733%0.33238%0.376SS..  trans-65.5149171.8-68-174.5153.400111.6R719 L720 L781 H782R719-E785 WeakPolarHBondContact CA-O 3.22Å; L720-E785 PolarHBondContact N-O 2.72Å; L781-E785 WeakPolarHBondContact CD2-OE2 3.47Å; L781-E785 WeakPolarHBondContact CB-OE2 3.38Å; L781-E785 WeakPolarHBondContact CA-OE2 3.35Å; H782-E785 VanDerWaalsContact O-N 3.1Å; H782-E785 PolarHBondContact O-N 3Å; H782-E785 WeakPolarHBondContact O-CG 3.48Å; H782-E785 WeakPolarHBondContact O-CB 3.49Å; H782-E785 VanDerWaalsContact O-CB 3.32Å; H782-E785 PolarHBondContact N-OE2 2.89Å; H782-E785 IonicContact CD2-OE1 2.72Å; H782-E785 HydrophobicContact CB-CG 4.22Å
786V93.8Very high89Confident81 Ų8177.1 Ų77.149%0.49137%0.374SS..EExtended strand (participates in β ladder)trans-93119.2-173.9-1770000110.2K717 A718 L745K717-V786 HydrophobicContact CB-CG1 3.77Å; K717-V786 HydrophobicContact CD-CG1 4.2Å; K717-V786 HydrophobicContact CG-CG1 4.29Å; A718-V786 WeakPolarHBondContact O-CA 3.47Å; L745-V786 HydrophobicContact CD1-CG1 4.43Å; L745-V786 HydrophobicContact CD1-CG2 3.86Å
787V93.1Very high89.3Confident10 Ų1070.9 Ų70.96%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-124.3158.9-175.6-70.30000111.2K717 A718 L720 L769 L781K717-V787 WeakPolarHBondContact CA-O 3.47Å; A718-V787 PolarHBondContact N-O 2.73Å; A718-V787 WeakPolarHBondContact O-CG2 3.43Å; A718-V787 PolarHBondContact O-N 3.42Å; L720-V787 HydrophobicContact CD1-CG1 3.89Å; L720-V787 HydrophobicContact CD2-CG1 4.4Å; L720-V787 HydrophobicContact CD2-CG2 3.91Å; L720-V787 HydrophobicContact CG-CG1 3.88Å; L720-V787 HydrophobicContact CG-CG2 3.79Å; L769-V787 HydrophobicContact CD2-CB 4.21Å; L769-V787 HydrophobicContact CD2-CG2 3.36Å; L781-V787 HydrophobicContact CD1-CG1 3.83Å
788D94.9Very high89.7Confident54 Ų5465.4 Ų65.429%0.28932%0.321SS..EExtended strand (participates in β ladder)trans-80.6135.8172.7-75-68.3000111.2I715 K717 M770I715-D788 HydrophobicContact CG2-CB 3.74Å; I715-D788 WeakPolarHBondContact CG2-OD1 3.38Å; K717-D788 WeakPolarHBondContact CD-OD1 3.41Å; K717-D788 VanDerWaalsContact CE-OD1 3.26Å; K717-D788 WeakPolarHBondContact CE-OD1 3.5Å; K717-D788 IonicContact NZ-OD1 3.38Å; K717-D788 PolarHBondContact NZ-OD1 2.64Å; K717-D788 IonicContact NZ-OD2 3.59Å; K717-D788 PolarHBondContact NZ-OD2 3.13Å; M770-D788 HydrophobicContact CB-CB 4.1Å; M770-D788 PolarHBondContact N-O 3.09Å
789V93.8Very high90Very high0 Ų061.1 Ų61.10%031%0.308CS..EExtended strand (participates in β ladder)trans-128.6118.4172.8-178.10000108.9I715 I716 A718 C735 L737 A748 L768 L769I715-V789 WeakPolarHBondContact CA-O 3.48Å; I716-V789 HydrophobicContact CG1-CB 4.31Å; I716-V789 PolarHBondContact N-O 2.99Å; I716-V789 PolarHBondContact O-N 2.85Å; A718-V789 HydrophobicContact CB-CG2 3.71Å; C735-V789 VanDerWaalsContact SG-CG1 3.57Å; L737-V789 HydrophobicContact CD1-CG1 3.72Å; L737-V789 HydrophobicContact CD2-CB 4.16Å; L737-V789 HydrophobicContact CD2-CG1 3.97Å; L737-V789 HydrophobicContact CD2-CG2 4.12Å; L737-V789 HydrophobicContact CG-CG1 3.99Å; A748-V789 HydrophobicContact CB-CG2 4Å; L768-V789 WeakPolarHBondContact O-CA 3.3Å; L769-V789 HydrophobicContact CD2-CG2 3.68Å; L769-V789 HydrophobicContact CG-CG2 4.1Å
790M94.3Very high90.1Very high6 Ų661.1 Ų61.13%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-72.8126.3166.6161.4167.317800109.3N695 L696 P713 G767 L768 M770 I792N695-M790 HydrophobicContact CB-CE 4.15Å; N695-M790 VanDerWaalsContact O-CE 3.26Å; N695-M790 WeakPolarHBondContact O-CE 3.25Å; L696-M790 HydrophobicContact CD2-SD 3.65Å; L696-M790 HydrophobicContact CG-SD 4.49Å; P713-M790 HydrophobicContact CB-CE 3.39Å; P713-M790 HydrophobicContact CB-CG 3.87Å; P713-M790 HydrophobicContact CB-SD 3.63Å; P713-M790 HydrophobicContact CG-CE 3.92Å; P713-M790 HydrophobicContact CG-CG 4.3Å; P713-M790 HydrophobicContact CG-SD 3.65Å; G767-M790 CarbonylContact C-O 3.54Å; G767-M790 WeakPolarHBondContact CA-O 3.32Å; L768-M790 HydrophobicContact CB-CB 4.27Å; L768-M790 HydrophobicContact CD2-SD 4.46Å; L768-M790 PolarHBondContact N-O 2.86Å; L768-M790 PolarHBondContact O-N 3.11Å; M770-M790 HydrophobicContact CG-CB 4.35Å; M770-M790 HydrophobicContact SD-CB 3.89Å; M790-I792 HydrophobicContact CE-CG2 4.02Å; M790-I792 HydrophobicContact CG-CG2 3.97Å
791V93.2Very high90.2Very high28 Ų2860.7 Ų60.717%0.1730%0.303CS..EExtended strand (participates in β ladder)trans-75.1127.2173.2-1780000108.9T714 I716 L737 G793 L795T714-V791 PolarHBondContact O-N 2.95Å; I716-V791 HydrophobicContact CD1-CG2 4.27Å; I716-V791 HydrophobicContact CG1-CG2 4.34Å; I716-V791 HydrophobicContact CG2-CG2 4.18Å; L737-V791 HydrophobicContact CD1-CG2 4.44Å; V791-G793 VanDerWaalsContact CG1-O 3.3Å; V791-G793 WeakPolarHBondContact CG1-O 3.43Å; V791-L795 HydrophobicContact CG1-CD1 4.03Å; V791-L795 HydrophobicContact CG1-CD2 4.09Å; V791-L795 HydrophobicContact CG1-CG 3.91Å; V791-L795 HydrophobicContact CG2-CD1 4.06Å
792I88.4Confident90.3Very high23 Ų2363.9 Ų63.912%0.11832%0.319CS..  trans-119.3-24.9-178.159.9170.8000113.6N695 A765 N766 L768 M790N695-I792 HydrophobicContact CB-CG2 4.14Å; N695-I792 WeakPolarHBondContact OD1-CB 3.48Å; N695-I792 WeakPolarHBondContact OD1-CG2 3.48Å; A765-I792 HydrophobicContact CB-CD1 4.48Å; N766-I792 WeakPolarHBondContact O-CG1 3.48Å; N766-I792 PolarHBondContact O-N 3.25Å; L768-I792 HydrophobicContact CB-CG2 3.9Å; M790-I792 HydrophobicContact CE-CG2 4.02Å; M790-I792 HydrophobicContact CG-CG2 3.97Å
793G83.6Confident90.3Very high20 Ų2062.3 Ų62.321%0.20631%0.314CS..SBendtrans-124.7175.6175.700000111.8N766 V791 L795N766-G793 PolarHBondContact O-N 2.74Å; N766-G793 VanDerWaalsContact O-N 3.08Å; V791-G793 VanDerWaalsContact CG1-O 3.3Å; V791-G793 WeakPolarHBondContact CG1-O 3.43Å; G793-L795 PolarHBondContact O-N 2.81Å
794R82.1Confident90.2Very high235 Ų23556.4 Ų56.489%0.88729%0.292SS*.  trans-63.5132.7169.9-168.8171.8-177.5164.40.6109.8
795L83.8Confident90.3Very high122 Ų12259.1 Ų59.164%0.63929%0.293SS*.  trans-86.10176.8-58.9172.6000110.9L737 W739 N766 V791 G793L737-L795 HydrophobicContact CB-CD2 4.2Å; L737-L795 HydrophobicContact CD1-CD2 3.71Å; W739-L795 HydrophobicContact CH2-CD1 3.81Å; W739-L795 HydrophobicContact CH2-CD2 4.36Å; W739-L795 HydrophobicContact CZ3-CB 4.47Å; W739-L795 HydrophobicContact CZ3-CD1 4.26Å; W739-L795 HydrophobicContact CZ3-CD2 4.21Å; N766-L795 HydrophobicContact CB-CD2 4.08Å; V791-L795 HydrophobicContact CG1-CD1 4.03Å; V791-L795 HydrophobicContact CG1-CD2 4.09Å; V791-L795 HydrophobicContact CG1-CG 3.91Å; V791-L795 HydrophobicContact CG2-CD1 4.06Å; G793-L795 PolarHBondContact O-N 2.81Å

Retrieved 795 of 795 residues in 174 ms (Link to these results)

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