A0A087YGQ8_POEFO Loading...

Protein ref(2)P

Required for selective autophagy activation by ubiquitinated proteins. Implicated in sigma rhabdovirus multiplication and necessary for male fertility. Involved in activating transcription of Drs.

AlphaFold DB , UniProt , Accession A0A087YGQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.3Very low34.5Very low246 Ų246153.2 Ų153.2100%1.21287%0.867SS**  0153.20-56.575.3162.600108.2
2G33.9Very low34.2Very low74 Ų74150.6 Ų150.676%0.76387%0.866SS**  cis-165.3152.5-4.900000109.1
3A32.4Very low34Very low103 Ų103154.3 Ų154.385%0.85187%0.871SS**PPolyproline II helixtrans-68.4149.6-164.100000115.3
4R37.3Very low33.6Very low244 Ų244151 Ų15192%0.92187%0.872SS**PPolyproline II helixtrans-82.5134.3155.5-78.3-175.3174.9177.8-1.3109.2
5V35.3Very low33.4Very low130 Ų130150.7 Ų150.779%0.78886%0.86SS**PPolyproline II helixtrans-75.4136.3175.4177.30000110.3
6R37.6Very low33Very low241 Ų241150.4 Ų150.491%0.90986%0.862SS**  trans-109.3133.5156.3-74.1-176.8172.4-170.7-2.4107.5
7Q36.1Very low32.7Very low194 Ų194148.2 Ų148.291%0.90785%0.846SS**  trans-92.3140.8162.2-84.3178.6-47.600109.6
8A33.1Very low32.5Very low105 Ų105147.8 Ų147.887%0.86884%0.839SS**  trans-140.9145.8167.200000107.6
9A32.9Very low32.4Very low91 Ų91150.7 Ų150.775%0.75284%0.842SS**  trans-133.7116.5172.500000107
10V33.2Very low32.3Very low127 Ų127146.6 Ų146.677%0.7784%0.835SS**  64.395.3101.5177.90000110.6
11T30.9Very low32.1Very low130 Ų130152 Ų15280%0.79884%0.842SS**  66.9109.451.778.60000115.4
12S31.9Very low31.9Very low122 Ų122150.9 Ų150.985%0.85382%0.824SS**  trans-157108.2150.459.10000109.9
13E31.2Very low31.4Very low199 Ų199155.8 Ų155.893%0.9383%0.825SS**  trans-85.8162.4167.4-65.9171.1108.100110.4
14A28.4Very low31.2Very low108 Ų108158.8 Ų158.889%0.89382%0.821SS**  trans-145.3107.2162.200000109.2
15E30.1Very low30.7Very low147 Ų147151.8 Ų151.869%0.68782%0.815SS**  trans-117.1138.6-178-167.9-150.315100110.2N17E15-N17 PolarHBondContact OE1-ND2 3.24Å
16V27.3Very low30.6Very low146 Ų146149.7 Ų149.789%0.88581%0.812SS**  trans-138.9128.7161.5-176.30000110.4
17N27.8Very low30.3Very low113 Ų113143.3 Ų143.360%0.60480%0.804SS**  trans-109.3174.8-176.8-131-72.1000108.6E15E15-N17 PolarHBondContact OE1-ND2 3.24Å
18I29.3Very low30.1Very low140 Ų140141.9 Ų141.972%0.71880%0.797SS**  cis-153.8153.722.5-40.1153.9000110
19K29.8Very low30.1Very low203 Ų203142.3 Ų142.388%0.88379%0.79SS**  trans129.5127148.7-70.4158.1-172.4173.10113.3
20G30.2Very low29.9Very low69 Ų69147 Ų14771%0.71179%0.793SS**  cis137.397.8-17.400000116.1
21R30.1Very low29.8Very low259 Ų259152.2 Ų152.298%0.97780%0.799SS**  trans-165.6161.3147.9-120.5170.1-88.9-148-0112
22R30.3Very low29.9Very low223 Ų223154.1 Ų154.184%0.84280%0.804SS**  trans-89.1155.9-174.3-57.7170.2174.3158.4-4.5111.9
23F25Very low29.6Very low178 Ų178153.9 Ų153.978%0.78180%0.8SS**  -170175.3101.8-116.2-90.6000113.2
24Q27.4Very low29.6Very low166 Ų166155.7 Ų155.778%0.77680%0.799SS**  trans-72.7173.5177.2-53.9148.6-81.700110.6
25A27.7Very low29.5Very low96 Ų96156.4 Ų156.479%0.79379%0.792SS**  cis-152.7-167.29.200000108.4
26A31.4Very low29.5Very low87 Ų87160.7 Ų160.772%0.71980%0.802SS**  cis-153.5147.7-3.800000108.4
27S32.3Very low29.6Very low106 Ų106159.3 Ų159.374%0.74179%0.793SS**  trans-84.2114.6167.8-175.10000109.6T29S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 2.7Å
28Q31.9Very low29.6Very low164 Ų164164.2 Ų164.277%0.76680%0.803SS**  trans-80.282.5173.3-74.3-164.4100110.5F30Q28-F30 PolarHBondContact O-N 2.69Å
29T33.7Very low30Very low115 Ų115164.7 Ų164.771%0.70681%0.806SS**  trans-65.9101.7167.653.90000109.8S27 R31S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 2.7Å; T29-R31 PolarHBondContact O-N 2.75Å
30F28.7Very low30.3Very low188 Ų188162.9 Ų162.983%0.82580%0.8SS**  trans-61.1133.3171.3-97.6-98.1000110.7Q28 L32Q28-F30 PolarHBondContact O-N 2.69Å; F30-L32 PolarHBondContact O-N 3.32Å; F30-L32 VanDerWaalsContact O-N 3.15Å
31R31.3Very low30.5Very low238 Ų238165 Ų16590%0.89880%0.804SS**  trans-79.698.5-171-66.3178.3179.7171.1-0.4111T29 C33T29-R31 PolarHBondContact O-N 2.75Å; R31-C33 PolarHBondContact O-N 2.8Å
32L31.8Very low30.8Very low170 Ų170156.6 Ų156.689%0.8979%0.79SS**  trans-62.2103.6160.1-95.1152.4000109.3F30 R34F30-L32 PolarHBondContact O-N 3.32Å; F30-L32 VanDerWaalsContact O-N 3.15Å; L32-R34 PolarHBondContact O-N 2.97Å
33C25.2Very low31.7Very low116 Ų116157.2 Ų157.278%0.78479%0.792SS**  trans-71.594.8-179.6-164.20000110.1R31 V35R31-C33 PolarHBondContact O-N 2.8Å; C33-V35 PolarHBondContact O-N 2.82Å
34R32.3Very low32.3Very low238 Ų238156.7 Ų156.790%0.89880%0.797SS**  trans-84.275.5-168.6-161.1173.6-167.81644.6112.1L32 R36L32-R34 PolarHBondContact O-N 2.97Å; R34-R36 PolarHBondContact O-N 3.47Å
35V27.1Very low32.5Very low123 Ų123154 Ų15475%0.74580%0.797SS**  trans-54.4128.2172.8-176.90000109.7C33 V37C33-V35 PolarHBondContact O-N 2.82Å; V35-V37 HydrophobicContact CG1-CG2 4.15Å
36R29.7Very low32.8Very low237 Ų237156.9 Ų156.989%0.89480%0.798SS**  trans-122.370.8-169-161.8-176.4-159.4171.76.7111.4R34 R38R34-R36 PolarHBondContact O-N 3.47Å; R36-R38 PolarHBondContact O-N 3.16Å
37V28.3Very low32.8Very low117 Ų117157.6 Ų157.671%0.70980%0.797SS**  trans-64.8124.8175.1-168.40000109.3V35 I39V35-V37 HydrophobicContact CG1-CG2 4.15Å; V37-I39 HydrophobicContact CG1-CD1 4.42Å; V37-I39 HydrophobicContact CG1-CG1 3.89Å
38R29Very low32.7Very low216 Ų216159.8 Ų159.882%0.81580%0.8SS**  trans-10890176.7-178.7-168.5-87.8162.8-9.5109.4R36R36-R38 PolarHBondContact O-N 3.16Å
39I36.3Very low32.7Very low149 Ų149156.4 Ų156.476%0.76479%0.794SS**  trans-84.4126.4172.3-54.3-178.7000108.9V37V37-I39 HydrophobicContact CG1-CD1 4.42Å; V37-I39 HydrophobicContact CG1-CG1 3.89Å
40H35.9Very low32.8Very low165 Ų165155.9 Ų155.976%0.76479%0.791SS**  trans-104.698.5168-88.8-104.5000109.7
41S34.3Very low33.1Very low114 Ų114155.3 Ų155.380%0.79779%0.791SS**  trans-171.2167.7135.8-154.30000112.9
42A38.2Very low33.3Very low83 Ų83153 Ų15369%0.68679%0.787SS**  trans-19.3123.6176.600000120.3
43R48.1Very low33.6Very low235 Ų235148.1 Ų148.189%0.88778%0.778SS**  29.2102.5128.3-60.1178.7179.6-178.7-0.3118.3
44L37.6Very low34.3Very low168 Ų168148 Ų14888%0.8878%0.779SS**  -176.7133.5110.8-100.3151.6000109.1
45S31.6Very low34.8Very low110 Ų110142.4 Ų142.477%0.76977%0.771SS**  trans-137.7108.7173.9179.90000109.1
46L34.6Very low35.8Very low155 Ų155139.9 Ų139.981%0.81276%0.757SS**  trans-74130.2151.6-80.279000106.7L48L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.84Å
47S30.8Very low36.6Very low102 Ų102135.2 Ų135.271%0.71376%0.755SS**  trans-79.877.3175.6-173.40000109.9S49S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-S49 PolarHBondContact OG-OG 3.41Å
48L30.3Very low37.8Very low153 Ų153132.4 Ų132.480%0.80175%0.75SS**  trans-76.988.3166-161.277.2000108.3L46 V50L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.84Å; L48-V50 VanDerWaalsContact C-N 3.27Å; L48-V50 HydrophobicContact CD2-CG2 4.32Å; L48-V50 PolarHBondContact O-N 2.74Å
49S32.8Very low39.5Very low92 Ų92127.8 Ų127.864%0.64374%0.738SS**  trans-71.780.6178.7-69.10000110.9S47 Q51S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-S49 PolarHBondContact OG-OG 3.41Å; S49-Q51 VanDerWaalsContact C-N 3.26Å; S49-Q51 PolarHBondContact O-N 2.81Å
50V35Very low41.5Very low104 Ų104123.5 Ų123.563%0.6372%0.722SS**  trans-66.890166.3-178.20000107.9L48 F52L48-V50 VanDerWaalsContact C-N 3.27Å; L48-V50 HydrophobicContact CD2-CG2 4.32Å; L48-V50 PolarHBondContact O-N 2.74Å; V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 HydrophobicContact CG1-CD2 4.09Å; V50-F52 HydrophobicContact CG1-CE2 4.06Å; V50-F52 PolarHBondContact O-N 2.91Å
51Q34.6Very low43.9Very low177 Ų177116.9 Ų116.983%0.82769%0.693SS**  trans-70.293.5169.9-71.8-177.6-2700108.4S49 G53S49-Q51 VanDerWaalsContact C-N 3.26Å; S49-Q51 PolarHBondContact O-N 2.81Å; Q51-G53 PolarHBondContact O-N 3.49Å
52F36.9Very low46.7Very low188 Ų188113.4 Ų113.483%0.82567%0.667SS**  trans-56.4114.9157-89-90.9000107.5V50 S54V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 HydrophobicContact CG1-CD2 4.09Å; V50-F52 HydrophobicContact CG1-CE2 4.06Å; V50-F52 PolarHBondContact O-N 2.91Å; F52-S54 VanDerWaalsContact C-N 3.34Å; F52-S54 PolarHBondContact O-N 3.37Å
53G37.1Very low49.4Very low68 Ų68109.6 Ų109.670%0.70164%0.635SS**  trans-67.288.1-174.500000111.5Q51 V55Q51-G53 PolarHBondContact O-N 3.49Å; G53-V55 VanDerWaalsContact C-N 3.3Å; G53-V55 PolarHBondContact O-N 3.38Å
54S40.8Very low51.6Low114 Ų114100.8 Ų100.880%0.79760%0.603SS**  trans-62.796162.7-175.40000107.7F52 P56F52-S54 VanDerWaalsContact C-N 3.34Å; F52-S54 PolarHBondContact O-N 3.37Å; S54-P56 WeakPolarHBondContact O-CD 3.31Å
55V40.9Very low54.4Low120 Ų12092.8 Ų92.873%0.72756%0.561SS**  trans-56.6121.4179.5179.90000107.8G53 V57G53-V55 VanDerWaalsContact C-N 3.3Å; G53-V55 PolarHBondContact O-N 3.38Å; V55-V57 PolarHBondContact O-N 3.37Å
56P48.4Very low57.4Low71 Ų7189 Ų8946%0.46153%0.53SS..  trans-66.6108.8-175.725.6-33.7000109.9S54 G58 M59S54-P56 WeakPolarHBondContact O-CD 3.31Å; P56-G58 PolarHBondContact O-N 3.3Å; P56-M59 HydrophobicContact CB-CE 4.02Å; P56-M59 HydrophobicContact CB-CG 4.37Å; P56-M59 HydrophobicContact CB-SD 4.3Å; P56-M59 HydrophobicContact CG-CE 3.8Å; P56-M59 HydrophobicContact CG-CG 3.99Å; P56-M59 HydrophobicContact CG-SD 3.55Å; P56-M59 VanDerWaalsContact CG-SD 3.55Å
57V48Very low60.2Low139 Ų13981.8 Ų81.884%0.84249%0.493SS*.THydrogen-bonded Turntrans-62.2103.6177-176.80000108.6V55V55-V57 PolarHBondContact O-N 3.37Å
58G53.7Low63.1Low58 Ų5877.3 Ų77.360%0.59846%0.461SS*.THydrogen-bonded Turntrans135.510.9-177.500000116.7P56 Q84P56-G58 PolarHBondContact O-N 3.3Å; G58-Q84 VanDerWaalsContact N-OE1 3.14Å
59M63.8Low65.8Low118 Ų11871 Ų7158%0.58143%0.433SS*.  trans-110.4133179.8-64.2-164.217900113.1P56P56-M59 HydrophobicContact CB-CE 4.02Å; P56-M59 HydrophobicContact CB-CG 4.37Å; P56-M59 HydrophobicContact CB-SD 4.3Å; P56-M59 HydrophobicContact CG-CE 3.8Å; P56-M59 HydrophobicContact CG-CG 3.99Å; P56-M59 HydrophobicContact CG-SD 3.55Å; P56-M59 VanDerWaalsContact CG-SD 3.55Å
60S77.8Confident68.1Low60 Ų6076 Ų7642%0.4244%0.443SS..  trans-77.3144.5169.348.50000111.2V82S60-V82 CarbonylContact C-O 3.47Å; S60-V82 WeakPolarHBondContact CA-O 3.49Å; S60-V82 VanDerWaalsContact CB-O 3.23Å; S60-V82 WeakPolarHBondContact CB-O 3.28Å
61V87.6Confident70.4Confident26 Ų2676.8 Ų76.816%0.15844%0.443CS..EExtended strand (participates in β ladder)trans-87.9128.1-176-178.70000109.7V63 T81 V82 L133 F141V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-V63 PolarHBondContact O-N 2.98Å; V61-T81 CarbonylContact O-C 3.59Å; V61-T81 WeakPolarHBondContact O-CA 3.49Å; V61-V82 PolarHBondContact N-O 2.84Å; V61-V82 PolarHBondContact O-N 3.05Å; V61-L133 HydrophobicContact CG1-CD2 4.17Å; V61-L133 HydrophobicContact CG2-CD2 4.45Å; V61-F141 HydrophobicContact CG1-CB 3.74Å
62T91.9Very high72.7Confident40 Ų4073.1 Ų73.125%0.24543%0.426CS..EExtended strand (participates in β ladder)trans-85.6107.1170.2-63.70000109.4A139 T140 F141T62-A139 PolarHBondContact N-O 2.78Å; T62-T140 CarbonylContact O-C 3.48Å; T62-T140 WeakPolarHBondContact O-CA 3.34Å; T62-F141 PolarHBondContact O-N 2.88Å
63V94.6Very high75.1Confident3 Ų370.8 Ų70.82%0.01842%0.418CS..EExtended strand (participates in β ladder)trans-83.2123.7174.3-176.50000109.1V61 A65 R79 F80 V82 L93 F141 L143V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-V63 PolarHBondContact O-N 2.98Å; V63-A65 HydrophobicContact CG1-CB 4.41Å; V63-R79 VanDerWaalsContact O-CA 3.31Å; V63-R79 WeakPolarHBondContact O-CA 3.48Å; V63-F80 HydrophobicContact CB-CD2 4.08Å; V63-F80 HydrophobicContact CB-CE1 4.2Å; V63-F80 HydrophobicContact CB-CE2 3.71Å; V63-F80 HydrophobicContact CB-CG 4.5Å; V63-F80 HydrophobicContact CB-CZ 3.78Å; V63-F80 HydrophobicContact CG1-CE1 4.01Å; V63-F80 HydrophobicContact CG1-CE2 4.07Å; V63-F80 HydrophobicContact CG1-CZ 3.63Å; V63-F80 HydrophobicContact CG2-CD2 4.44Å; V63-F80 HydrophobicContact CG2-CE2 3.92Å; V63-F80 HydrophobicContact CG2-CZ 4.33Å; V63-F80 PolarHBondContact N-O 2.72Å; V63-F80 PolarHBondContact O-N 2.69Å; V63-V82 HydrophobicContact CG2-CB 4.49Å; V63-V82 HydrophobicContact CG2-CG2 3.67Å; V63-L93 HydrophobicContact CG1-CD1 4.47Å; V63-L93 HydrophobicContact CG2-CD1 4.1Å; V63-F141 HydrophobicContact CG1-CD1 4.41Å; V63-F141 HydrophobicContact CG2-CD1 4.36Å; V63-L143 HydrophobicContact CG1-CB 3.79Å; V63-L143 HydrophobicContact CG1-CD2 3.75Å; V63-L143 HydrophobicContact CG1-CG 4.44Å
64K95.3Very high77.7Confident50 Ų5070.9 Ų70.922%0.21741%0.405CS..EExtended strand (participates in β ladder)trans-104.3102165.2-177.2177.7-176.3-166.50108Y66 I77 R79 T140 F141 L143K64-Y66 HydrophobicContact CB-CE2 4.35Å; K64-Y66 HydrophobicContact CD-CE2 3.73Å; K64-Y66 VanDerWaalsContact CE-CZ 3.47Å; K64-Y66 VanDerWaalsContact CE-OH 3.3Å; K64-Y66 WeakPolarHBondContact CE-OH 3.49Å; K64-Y66 HydrophobicContact CG-CD2 4.23Å; K64-Y66 HydrophobicContact CG-CE2 3.64Å; K64-Y66 PolarHBondContact NZ-OH 2.81Å; K64-Y66 WeakPolarHBondContact O-CD2 3.3Å; K64-I77 HydrophobicContact CG-CG2 4.04Å; K64-R79 HydrophobicContact CB-CG 4.08Å; K64-R79 HydrophobicContact CG-CG 3.86Å; K64-T140 HydrophobicContact CB-CG2 3.73Å; K64-F141 PolarHBondContact N-O 3.34Å; K64-L143 PolarHBondContact O-N 2.88Å
65A95.2Very high80.1Confident0 Ų071 Ų710%039%0.391CS..EExtended strand (participates in β ladder)trans-93.3131.2-177.600000111.3V63 I77 R78 F80 F101 L143 I145V63-A65 HydrophobicContact CG1-CB 4.41Å; A65-I77 WeakPolarHBondContact O-CA 3.44Å; A65-R78 PolarHBondContact N-O 3.23Å; A65-R78 PolarHBondContact O-N 2.92Å; A65-F80 HydrophobicContact CB-CE1 4Å; A65-F101 HydrophobicContact CB-CE2 3.55Å; A65-F101 HydrophobicContact CB-CZ 3.71Å; A65-L143 CarbonylContact C-O 3.49Å; A65-L143 VanDerWaalsContact CA-O 3.28Å; A65-L143 WeakPolarHBondContact CA-O 3.06Å; A65-L143 HydrophobicContact CB-CB 4.49Å; A65-L143 HydrophobicContact CB-CD2 4.46Å; A65-I145 HydrophobicContact CB-CD1 3.92Å
66Y95.3Very high82.5Confident31 Ų3167.2 Ų67.212%0.12237%0.366CS..EExtended strand (participates in β ladder)trans-116.9109.5-179.4-66.5-105.1000109K64 V74 I77 R142 L143 Y144 I145K64-Y66 HydrophobicContact CB-CE2 4.35Å; K64-Y66 HydrophobicContact CD-CE2 3.73Å; K64-Y66 VanDerWaalsContact CE-CZ 3.47Å; K64-Y66 VanDerWaalsContact CE-OH 3.3Å; K64-Y66 WeakPolarHBondContact CE-OH 3.49Å; K64-Y66 HydrophobicContact CG-CD2 4.23Å; K64-Y66 HydrophobicContact CG-CE2 3.64Å; K64-Y66 PolarHBondContact NZ-OH 2.81Å; K64-Y66 WeakPolarHBondContact O-CD2 3.3Å; Y66-V74 HydrophobicContact CD1-CG1 4.01Å; Y66-V74 HydrophobicContact CD1-CG2 3.94Å; Y66-I77 HydrophobicContact CD1-CD1 3.83Å; Y66-I77 HydrophobicContact CD1-CG1 3.88Å; Y66-I77 HydrophobicContact CE1-CD1 3.79Å; Y66-I77 HydrophobicContact CE1-CG1 4.32Å; Y66-R142 HydrophobicContact CE2-CB 4.37Å; Y66-R142 HydrophobicContact CE2-CG 4.47Å; Y66-L143 PolarHBondContact N-O 2.96Å; Y66-Y144 HydrophobicContact CD1-CE1 4.33Å; Y66-Y144 HydrophobicContact CD2-CD1 4.29Å; Y66-Y144 HydrophobicContact CD2-CE1 4Å; Y66-Y144 HydrophobicContact CE2-CE1 4.43Å; Y66-Y144 HydrophobicContact CG-CD1 4.09Å; Y66-Y144 AromaticContact CG-CE1 3.94Å; Y66-Y144 HydrophobicContact CG-CE1 3.94Å; Y66-Y144 WeakPolarHBondContact O-CA 3.19Å; Y66-I145 PolarHBondContact O-N 2.85Å
67L93.5Very high84.7Confident4 Ų467.9 Ų67.92%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-81.2120.8173.7177.759000109.7K75 E76 F101 N103 L104 I145L67-K75 HydrophobicContact CD2-CD 4.47Å; L67-K75 HydrophobicContact CG-CB 4.4Å; L67-K75 HydrophobicContact CG-CD 4.27Å; L67-K75 PolarHBondContact O-N 2.94Å; L67-E76 HydrophobicContact CB-CB 4.14Å; L67-E76 HydrophobicContact CD2-CB 4.33Å; L67-E76 PolarHBondContact N-O 3.43Å; L67-E76 PolarHBondContact O-N 3.14Å; L67-F101 HydrophobicContact CB-CD1 4.14Å; L67-F101 HydrophobicContact CB-CE1 3.77Å; L67-F101 HydrophobicContact CB-CZ 4.48Å; L67-F101 HydrophobicContact CD2-CD1 4.08Å; L67-N103 HydrophobicContact CD2-CB 4.47Å; L67-L104 HydrophobicContact CD1-CD1 4.35Å; L67-L104 HydrophobicContact CD1-CD2 4.04Å; L67-I145 HydrophobicContact CD1-CB 4.22Å; L67-I145 HydrophobicContact CD1-CG2 4.09Å
68L92.4Very high86.9Confident7 Ų765.6 Ų65.64%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-91.4149.6-176.4-56.8-170.8000112.7V74 L120 Y144 I145 R146L68-V74 HydrophobicContact CD2-CG2 4.02Å; L68-L120 HydrophobicContact CD1-CD1 4.17Å; L68-Y144 HydrophobicContact CD2-CD1 4.19Å; L68-I145 WeakPolarHBondContact CB-O 3.42Å; L68-I145 PolarHBondContact N-O 2.82Å; L68-R146 HydrophobicContact CB-CG 4.4Å; L68-R146 HydrophobicContact CD1-CG 4.18Å
69G86.5Confident88.8Confident21 Ų2170.1 Ų70.122%0.21634%0.339CS..  trans-82.1-169.1173.500000113.3D71 Q73G69-D71 VanDerWaalsContact C-N 3.33Å; G69-Q73 WeakPolarHBondContact CA-O 3.15Å; G69-Q73 PolarHBondContact N-O 3.02Å
70K80.4Confident90.2Very high197 Ų19765.5 Ų65.586%0.85732%0.316SS*.THydrogen-bonded Turntrans-68.3-40.2172-65.8179.9179.6177.30110.7E72K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 PolarHBondContact O-N 2.85Å
71D83.7Confident90.9Very high120 Ų12066.2 Ų66.264%0.64232%0.318SS*.THydrogen-bonded Turntrans-98.130.8-172.9-32.8-87.3000111G69 Q73G69-D71 VanDerWaalsContact C-N 3.33Å; D71-Q73 PolarHBondContact O-N 2.78Å
72E82.8Confident91Very high100 Ų10065.1 Ų65.147%0.46731%0.311SS..SBendtrans54.6-2.6-173.9-50.5-156.2164.100117.3K70 R146K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 PolarHBondContact O-N 2.85Å; E72-R146 VanDerWaalsContact CD-NH2 3.34Å; E72-R146 IonicContact OE1-CZ 3.45Å; E72-R146 IonicContact OE1-NH1 2.69Å; E72-R146 PolarHBondContact OE1-NH1 2.99Å; E72-R146 IonicContact OE1-NH2 3.9Å; E72-R146 PolarHBondContact OE1-NH2 2.85Å; E72-R146 IonicContact OE2-NH2 3.15Å
73Q87.6Confident90.8Very high139 Ų13966.9 Ų66.965%0.6532%0.319SS*.  trans-59.8139.3174.4-64-178.241.400111.6G69 D71 K75G69-Q73 WeakPolarHBondContact CA-O 3.15Å; G69-Q73 PolarHBondContact N-O 3.02Å; D71-Q73 PolarHBondContact O-N 2.78Å; Q73-K75 PolarHBondContact O-N 2.82Å; Q73-K75 VanDerWaalsContact O-N 3.16Å
74V91.8Very high90Very high70 Ų7071.3 Ų71.342%0.42434%0.34SS..EExtended strand (participates in β ladder)trans-72.2109.7179.8-178.90000110Y66 L68 I77Y66-V74 HydrophobicContact CD1-CG1 4.01Å; Y66-V74 HydrophobicContact CD1-CG2 3.94Å; L68-V74 HydrophobicContact CD2-CG2 4.02Å; V74-I77 HydrophobicContact CG1-CD1 3.99Å; V74-I77 HydrophobicContact CG1-CG1 3.46Å; V74-I77 VanDerWaalsContact CG1-CG1 3.46Å
75K90.8Very high89.2Confident117 Ų11777.6 Ų77.651%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-69.7-43.4173.4-75.7170.3167.7162.20111.8L67 Q73 E147L67-K75 HydrophobicContact CD2-CD 4.47Å; L67-K75 HydrophobicContact CG-CB 4.4Å; L67-K75 HydrophobicContact CG-CD 4.27Å; L67-K75 PolarHBondContact O-N 2.94Å; Q73-K75 PolarHBondContact O-N 2.82Å; Q73-K75 VanDerWaalsContact O-N 3.16Å; K75-E147 IonicContact NZ-OE2 3.67Å
76E92.1Very high88.7Confident41 Ų4179.1 Ų79.119%0.19238%0.379CS..EExtended strand (participates in β ladder)trans-155.1145.2-168.2-170.8175.4-170.200110.6L67 R78 F101 N103L67-E76 HydrophobicContact CB-CB 4.14Å; L67-E76 HydrophobicContact CD2-CB 4.33Å; L67-E76 PolarHBondContact N-O 3.43Å; L67-E76 PolarHBondContact O-N 3.14Å; E76-R78 HydrophobicContact CG-CG 4.49Å; E76-R78 IonicContact OE1-CZ 3.14Å; E76-R78 IonicContact OE1-NE 2.75Å; E76-R78 PolarHBondContact OE1-NE 2.8Å; E76-R78 IonicContact OE1-NH2 2.69Å; E76-R78 PolarHBondContact OE1-NH2 2.95Å; E76-F101 HydrophobicContact CB-CE1 4.2Å; E76-F101 HydrophobicContact CG-CD1 4.27Å; E76-F101 HydrophobicContact CG-CE1 3.96Å; E76-N103 PolarHBondContact OE2-ND2 3.26Å
77I94.5Very high88.1Confident85 Ų8578.4 Ų78.444%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-126.2129.5174.8-55.4178000108.7K64 A65 Y66 V74K64-I77 HydrophobicContact CG-CG2 4.04Å; A65-I77 WeakPolarHBondContact O-CA 3.44Å; Y66-I77 HydrophobicContact CD1-CD1 3.83Å; Y66-I77 HydrophobicContact CD1-CG1 3.88Å; Y66-I77 HydrophobicContact CE1-CD1 3.79Å; Y66-I77 HydrophobicContact CE1-CG1 4.32Å; V74-I77 HydrophobicContact CG1-CD1 3.99Å; V74-I77 HydrophobicContact CG1-CG1 3.46Å; V74-I77 VanDerWaalsContact CG1-CG1 3.46Å
78R94.1Very high87.8Confident90 Ų9080.7 Ų80.734%0.3440%0.395SS..EExtended strand (participates in β ladder)trans-126.1148.6170.2-62.6-173.2177-137.5-3.8110A65 E76 V100 F101A65-R78 PolarHBondContact N-O 3.23Å; A65-R78 PolarHBondContact O-N 2.92Å; E76-R78 HydrophobicContact CG-CG 4.49Å; E76-R78 IonicContact OE1-CZ 3.14Å; E76-R78 IonicContact OE1-NE 2.75Å; E76-R78 PolarHBondContact OE1-NE 2.8Å; E76-R78 IonicContact OE1-NH2 2.69Å; E76-R78 PolarHBondContact OE1-NH2 2.95Å; R78-V100 HydrophobicContact CB-CG1 3.75Å; R78-V100 WeakPolarHBondContact CD-O 3.4Å; R78-V100 HydrophobicContact CG-CG1 4.25Å; R78-V100 VanDerWaalsContact CZ-O 3.23Å; R78-V100 PolarHBondContact NE-O 3.39Å; R78-V100 PolarHBondContact NH1-O 2.94Å; R78-F101 HydrophobicContact CB-CE1 4.14Å; R78-F101 HydrophobicContact CB-CE2 3.96Å; R78-F101 HydrophobicContact CB-CZ 3.64Å; R78-F101 HydrophobicContact CG-CD1 4.22Å; R78-F101 HydrophobicContact CG-CE1 3.74Å; R78-F101 HydrophobicContact CG-CE2 4.32Å; R78-F101 HydrophobicContact CG-CZ 3.8Å
79R93.6Very high87.7Confident153 Ų15381.9 Ų81.958%0.57740%0.403SS*.EExtended strand (participates in β ladder)trans-123.1134.2175.2-64-17384-178.84.1109.3V63 K64 T140V63-R79 VanDerWaalsContact O-CA 3.31Å; V63-R79 WeakPolarHBondContact O-CA 3.48Å; K64-R79 HydrophobicContact CB-CG 4.08Å; K64-R79 HydrophobicContact CG-CG 3.86Å; R79-T140 PolarHBondContact NH2-OG1 3.25Å
80F93.8Very high88Confident22 Ų2282.9 Ų82.910%0.09640%0.402CS..EExtended strand (participates in β ladder)trans-148.6154.1177.357.2-90.1000110.2V63 A65 V82 L93 K96 V97 V100V63-F80 HydrophobicContact CB-CD2 4.08Å; V63-F80 HydrophobicContact CB-CE1 4.2Å; V63-F80 HydrophobicContact CB-CE2 3.71Å; V63-F80 HydrophobicContact CB-CG 4.5Å; V63-F80 HydrophobicContact CB-CZ 3.78Å; V63-F80 HydrophobicContact CG1-CE1 4.01Å; V63-F80 HydrophobicContact CG1-CE2 4.07Å; V63-F80 HydrophobicContact CG1-CZ 3.63Å; V63-F80 HydrophobicContact CG2-CD2 4.44Å; V63-F80 HydrophobicContact CG2-CE2 3.92Å; V63-F80 HydrophobicContact CG2-CZ 4.33Å; V63-F80 PolarHBondContact N-O 2.72Å; V63-F80 PolarHBondContact O-N 2.69Å; A65-F80 HydrophobicContact CB-CE1 4Å; F80-V82 HydrophobicContact CD2-CG2 3.76Å; F80-V82 HydrophobicContact CE2-CG2 3.6Å; F80-L93 HydrophobicContact CE2-CD1 4.01Å; F80-L93 HydrophobicContact CZ-CD1 4.05Å; F80-K96 HydrophobicContact CD2-CD 3.9Å; F80-K96 HydrophobicContact CD2-CG 4.15Å; F80-K96 HydrophobicContact CE2-CD 3.97Å; F80-K96 HydrophobicContact CE2-CG 4.02Å; F80-V97 HydrophobicContact CE1-CG2 4.39Å; F80-V97 HydrophobicContact CZ-CG2 3.93Å; F80-V100 HydrophobicContact CD1-CB 4.41Å; F80-V100 HydrophobicContact CD1-CG1 3.91Å; F80-V100 HydrophobicContact CD1-CG2 4.15Å; F80-V100 HydrophobicContact CE1-CG1 4.25Å; F80-V100 HydrophobicContact CG-CG2 4.36Å
81T91.4Very high88.5Confident74 Ų7478.4 Ų78.445%0.45438%0.384SS..EExtended strand (participates in β ladder)trans-87.7150.5172.8460000110.6V61 K96V61-T81 CarbonylContact O-C 3.59Å; V61-T81 WeakPolarHBondContact O-CA 3.49Å; T81-K96 WeakPolarHBondContact O-CE 3.36Å; T81-K96 PolarHBondContact O-NZ 2.87Å
82V90Very high88.9Confident3 Ų376.1 Ų76.12%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-129.2128.3171.9-178.70000108.8S60 V61 V63 F80 V86 Y92 L93 K96S60-V82 CarbonylContact C-O 3.47Å; S60-V82 WeakPolarHBondContact CA-O 3.49Å; S60-V82 VanDerWaalsContact CB-O 3.23Å; S60-V82 WeakPolarHBondContact CB-O 3.28Å; V61-V82 PolarHBondContact N-O 2.84Å; V61-V82 PolarHBondContact O-N 3.05Å; V63-V82 HydrophobicContact CG2-CB 4.49Å; V63-V82 HydrophobicContact CG2-CG2 3.67Å; F80-V82 HydrophobicContact CD2-CG2 3.76Å; F80-V82 HydrophobicContact CE2-CG2 3.6Å; V82-V86 HydrophobicContact CG1-CG2 4.08Å; V82-Y92 HydrophobicContact CG1-CD1 4.13Å; V82-Y92 HydrophobicContact CG1-CE1 3.78Å; V82-L93 HydrophobicContact CG2-CD1 4.42Å; V82-K96 HydrophobicContact CG2-CD 4.29Å
83D87.4Confident89.3Confident77 Ų7771.6 Ų71.641%0.41235%0.346SS..  trans-77.7148.7-174.5-50.4-69.1000111E85 V86 S87D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 2.59Å; D83-V86 HydrophobicContact CB-CG2 4.29Å; D83-V86 CarbonylContact O-C 3.59Å; D83-V86 VanDerWaalsContact O-CG2 3.3Å; D83-V86 WeakPolarHBondContact O-CG2 3.4Å; D83-V86 PolarHBondContact O-N 2.75Å; D83-S87 PolarHBondContact O-N 3.06Å
84Q78.2Confident89.5Confident96 Ų9666.4 Ų66.445%0.44933%0.325SS..THydrogen-bonded Turntrans-62.7-30.4-162.6-168.3-174.1-3.800114.1G58 V86 S87G58-Q84 VanDerWaalsContact N-OE1 3.14Å; Q84-V86 PolarHBondContact O-N 3.46Å; Q84-S87 PolarHBondContact O-OG 3.49Å
85E78.1Confident89.4Confident183 Ų18370.5 Ų70.586%0.85533%0.332SS*.THydrogen-bonded Turntrans-69.2-19.7177.454.3176.1-154.800113.9D83D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 2.59Å
86V84.3Confident89.4Confident32 Ų3267 Ų6719%0.19432%0.318CS..THydrogen-bonded Turntrans-122.40.6-177.8-71.60000113.3V82 D83 Q84 C88 S89 Y92V82-V86 HydrophobicContact CG1-CG2 4.08Å; D83-V86 HydrophobicContact CB-CG2 4.29Å; D83-V86 CarbonylContact O-C 3.59Å; D83-V86 VanDerWaalsContact O-CG2 3.3Å; D83-V86 WeakPolarHBondContact O-CG2 3.4Å; D83-V86 PolarHBondContact O-N 2.75Å; Q84-V86 PolarHBondContact O-N 3.46Å; V86-C88 VanDerWaalsContact C-N 3.29Å; V86-C88 PolarHBondContact O-N 2.82Å; V86-S89 PolarHBondContact O-N 2.88Å; V86-Y92 HydrophobicContact CB-CD1 3.81Å; V86-Y92 HydrophobicContact CB-CD2 3.93Å; V86-Y92 HydrophobicContact CB-CE1 4.13Å; V86-Y92 HydrophobicContact CB-CE2 4.2Å; V86-Y92 HydrophobicContact CB-CG 3.72Å; V86-Y92 HydrophobicContact CG1-CD2 3.97Å; V86-Y92 HydrophobicContact CG1-CE2 4.3Å; V86-Y92 HydrophobicContact CG1-CG 4.2Å; V86-Y92 HydrophobicContact CG2-CD1 3.85Å; V86-Y92 HydrophobicContact CG2-CD2 4.16Å; V86-Y92 HydrophobicContact CG2-CE1 3.63Å; V86-Y92 HydrophobicContact CG2-CE2 3.92Å; V86-Y92 HydrophobicContact CG2-CG 4.13Å
87S83.6Confident89.4Confident15 Ų1565.1 Ų65.111%0.10531%0.308CS..THydrogen-bonded Turntrans-66.2-27.7-177.255.80000114.3D83 Q84 L133D83-S87 PolarHBondContact O-N 3.06Å; Q84-S87 PolarHBondContact O-OG 3.49Å; S87-L133 WeakPolarHBondContact O-CD1 3.21Å
88C86.3Confident89.2Confident53 Ų5362.7 Ų62.736%0.35830%0.301SS..THydrogen-bonded Turntrans-91-2.6177.4-55.20000113.6V86 D126 M130V86-C88 VanDerWaalsContact C-N 3.29Å; V86-C88 PolarHBondContact O-N 2.82Å; C88-D126 WeakPolarHBondContact O-CB 3.48Å; C88-M130 HydrophobicContact CB-CG 3.93Å; C88-M130 HydrophobicContact CB-SD 4.27Å
89S91.6Very high88.9Confident31 Ų3162.5 Ų62.522%0.21732%0.319CS..  trans-88.3112.7178.7179.60000111.1V86 E91 Y92 L93V86-S89 PolarHBondContact O-N 2.88Å; S89-E91 VanDerWaalsContact C-N 3.28Å; S89-E91 PolarHBondContact O-N 2.93Å; S89-Y92 PolarHBondContact O-N 2.97Å; S89-Y92 PolarHBondContact OG-N 3.12Å; S89-L93 WeakPolarHBondContact O-CB 3.46Å; S89-L93 PolarHBondContact O-N 2.77Å
90F91.9Very high88.8Confident42 Ų4256.9 Ų56.918%0.18430%0.302CS..Hα-helixtrans-58.5-41.7171.9171.9-95.5000110.9L93 S94 L111 F123 S124 D126 L129F90-L93 PolarHBondContact O-N 2.86Å; F90-S94 WeakPolarHBondContact O-CB 3.34Å; F90-S94 PolarHBondContact O-N 3.17Å; F90-L111 HydrophobicContact CD2-CD1 4.26Å; F90-L111 HydrophobicContact CE2-CB 4.32Å; F90-L111 HydrophobicContact CE2-CD1 3.77Å; F90-L111 HydrophobicContact CE2-CG 4.2Å; F90-F123 AromaticContact CD2-CD2 3.63Å; F90-F123 HydrophobicContact CD2-CD2 3.63Å; F90-F123 AromaticContact CD2-CE2 3.71Å; F90-F123 HydrophobicContact CD2-CE2 3.71Å; F90-F123 AromaticContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CE2 4.12Å; F90-F123 WeakPolarHBondContact CE2-O 3.44Å; F90-S124 VanDerWaalsContact CD1-O 3.23Å; F90-S124 WeakPolarHBondContact CD1-O 3.3Å; F90-S124 VanDerWaalsContact CE1-O 3.3Å; F90-S124 WeakPolarHBondContact CE1-O 3.37Å; F90-D126 VanDerWaalsContact CB-OD1 3.25Å; F90-D126 WeakPolarHBondContact CB-OD1 3.46Å; F90-D126 PolarHBondContact N-OD1 3.36Å; F90-L129 HydrophobicContact CB-CD2 4.39Å
91E91.6Very high88.5Confident104 Ų10455.9 Ų55.949%0.48630%0.297SS..Hα-helixtrans-64.6-44.6-178.6-157.7-163.6-161.700111.6S89 R95S89-E91 VanDerWaalsContact C-N 3.28Å; S89-E91 PolarHBondContact O-N 2.93Å; E91-R95 WeakPolarHBondContact O-CB 3.49Å; E91-R95 WeakPolarHBondContact O-CD 3.47Å; E91-R95 WeakPolarHBondContact O-CG 3.27Å; E91-R95 PolarHBondContact O-N 2.97Å; E91-R95 IonicContact OE1-CZ 3.63Å; E91-R95 VanDerWaalsContact OE1-CZ 3.28Å; E91-R95 IonicContact OE1-NE 3.85Å; E91-R95 PolarHBondContact OE1-NE 2.76Å; E91-R95 IonicContact OE1-NH2 2.92Å; E91-R95 PolarHBondContact OE1-NH2 2.94Å; E91-R95 IonicContact OE2-CZ 2.72Å; E91-R95 IonicContact OE2-NE 2.68Å; E91-R95 IonicContact OE2-NH1 3.6Å; E91-R95 PolarHBondContact OE2-NH1 3.18Å; E91-R95 IonicContact OE2-NH2 2.67Å; E91-R95 PolarHBondContact OE2-NH2 3.23Å
92Y91.7Very high87.9Confident72 Ų7255.9 Ų55.928%0.28230%0.3SS..Hα-helixtrans-61.8-47.3173.6178.4-86.5000111.4V82 V86 S89 S94 R95 K96V82-Y92 HydrophobicContact CG1-CD1 4.13Å; V82-Y92 HydrophobicContact CG1-CE1 3.78Å; V86-Y92 HydrophobicContact CB-CD1 3.81Å; V86-Y92 HydrophobicContact CB-CD2 3.93Å; V86-Y92 HydrophobicContact CB-CE1 4.13Å; V86-Y92 HydrophobicContact CB-CE2 4.2Å; V86-Y92 HydrophobicContact CB-CG 3.72Å; V86-Y92 HydrophobicContact CG1-CD2 3.97Å; V86-Y92 HydrophobicContact CG1-CE2 4.3Å; V86-Y92 HydrophobicContact CG1-CG 4.2Å; V86-Y92 HydrophobicContact CG2-CD1 3.85Å; V86-Y92 HydrophobicContact CG2-CD2 4.16Å; V86-Y92 HydrophobicContact CG2-CE1 3.63Å; V86-Y92 HydrophobicContact CG2-CE2 3.92Å; V86-Y92 HydrophobicContact CG2-CG 4.13Å; S89-Y92 PolarHBondContact O-N 2.97Å; S89-Y92 PolarHBondContact OG-N 3.12Å; Y92-S94 PolarHBondContact O-N 3.48Å; Y92-R95 PolarHBondContact O-N 3.38Å; Y92-K96 HydrophobicContact CD1-CD 4.43Å; Y92-K96 HydrophobicContact CE1-CB 4.35Å; Y92-K96 HydrophobicContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.23Å; Y92-K96 PolarHBondContact O-N 2.83Å; Y92-K96 PolarHBondContact OH-NZ 2.9Å
93L91.9Very high87.1Confident5 Ų560.6 Ų60.63%0.02633%0.325CS..Hα-helixtrans-61.4-44.6-179.1-179.260.5000111.7V63 F80 V82 S89 F90 K96 V97 L111 F123 L129 F141 L143V63-L93 HydrophobicContact CG1-CD1 4.47Å; V63-L93 HydrophobicContact CG2-CD1 4.1Å; F80-L93 HydrophobicContact CE2-CD1 4.01Å; F80-L93 HydrophobicContact CZ-CD1 4.05Å; V82-L93 HydrophobicContact CG2-CD1 4.42Å; S89-L93 WeakPolarHBondContact O-CB 3.46Å; S89-L93 PolarHBondContact O-N 2.77Å; F90-L93 PolarHBondContact O-N 2.86Å; L93-K96 PolarHBondContact O-N 2.84Å; L93-V97 WeakPolarHBondContact O-CB 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.35Å; L93-V97 PolarHBondContact O-N 2.81Å; L93-L111 HydrophobicContact CG-CD1 4.42Å; L93-F123 HydrophobicContact CD2-CE2 4.14Å; L93-F123 HydrophobicContact CD2-CZ 4.09Å; L93-L129 HydrophobicContact CB-CD2 4.39Å; L93-L129 HydrophobicContact CD2-CD1 3.69Å; L93-L129 HydrophobicContact CD2-CD2 3.85Å; L93-L129 HydrophobicContact CD2-CG 4.47Å; L93-F141 HydrophobicContact CD2-CE1 4.25Å; L93-L143 HydrophobicContact CD1-CD2 4.14Å; L93-L143 HydrophobicContact CD2-CD2 4.26Å; L93-L143 HydrophobicContact CG-CD2 4.29Å
94S91.1Very high86.4Confident29 Ų2957.2 Ų57.220%0.20331%0.307CS..Hα-helixtrans-63.4-49.5178.3-176.90000111.9F90 Y92 K96 V97 A98F90-S94 WeakPolarHBondContact O-CB 3.34Å; F90-S94 PolarHBondContact O-N 3.17Å; Y92-S94 PolarHBondContact O-N 3.48Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 2.89Å; S94-V97 PolarHBondContact O-N 3.19Å; S94-A98 PolarHBondContact O-N 3.09Å
95R89.8Confident85.5Confident156 Ų15657.6 Ų57.659%0.58932%0.321SS*.Hα-helixtrans-57.4-42.3172.9-70.8168.9179177.4-0111.7E91 Y92 A98 A99E91-R95 WeakPolarHBondContact O-CB 3.49Å; E91-R95 WeakPolarHBondContact O-CD 3.47Å; E91-R95 WeakPolarHBondContact O-CG 3.27Å; E91-R95 PolarHBondContact O-N 2.97Å; E91-R95 IonicContact OE1-CZ 3.63Å; E91-R95 VanDerWaalsContact OE1-CZ 3.28Å; E91-R95 IonicContact OE1-NE 3.85Å; E91-R95 PolarHBondContact OE1-NE 2.76Å; E91-R95 IonicContact OE1-NH2 2.92Å; E91-R95 PolarHBondContact OE1-NH2 2.94Å; E91-R95 IonicContact OE2-CZ 2.72Å; E91-R95 IonicContact OE2-NE 2.68Å; E91-R95 IonicContact OE2-NH1 3.6Å; E91-R95 PolarHBondContact OE2-NH1 3.18Å; E91-R95 IonicContact OE2-NH2 2.67Å; E91-R95 PolarHBondContact OE2-NH2 3.23Å; Y92-R95 PolarHBondContact O-N 3.38Å; R95-A98 PolarHBondContact O-N 2.92Å; R95-A99 WeakPolarHBondContact O-CB 3.27Å; R95-A99 PolarHBondContact O-N 2.92Å
96K91.6Very high84.7Confident45 Ų4552.7 Ų52.720%0.19632%0.319CS..Hα-helixtrans-68.6-37.5179.1-165.3165.7-167172.20112F80 T81 V82 Y92 L93 S94 A99 V100F80-K96 HydrophobicContact CD2-CD 3.9Å; F80-K96 HydrophobicContact CD2-CG 4.15Å; F80-K96 HydrophobicContact CE2-CD 3.97Å; F80-K96 HydrophobicContact CE2-CG 4.02Å; T81-K96 WeakPolarHBondContact O-CE 3.36Å; T81-K96 PolarHBondContact O-NZ 2.87Å; V82-K96 HydrophobicContact CG2-CD 4.29Å; Y92-K96 HydrophobicContact CD1-CD 4.43Å; Y92-K96 HydrophobicContact CE1-CB 4.35Å; Y92-K96 HydrophobicContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.23Å; Y92-K96 PolarHBondContact O-N 2.83Å; Y92-K96 PolarHBondContact OH-NZ 2.9Å; L93-K96 PolarHBondContact O-N 2.84Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 2.89Å; K96-A99 PolarHBondContact O-N 2.95Å; K96-V100 HydrophobicContact CG-CG2 4.29Å; K96-V100 WeakPolarHBondContact O-CB 3.4Å; K96-V100 WeakPolarHBondContact O-CG2 3.1Å; K96-V100 PolarHBondContact O-N 2.85Å
97V91.7Very high84.1Confident0 Ų053.3 Ų53.30%033%0.325CS..Hα-helixtrans-61-49.8170.9164.40000110.8F80 L93 S94 A99 V100 F101 L104 L111 L143 I145F80-V97 HydrophobicContact CE1-CG2 4.39Å; F80-V97 HydrophobicContact CZ-CG2 3.93Å; L93-V97 WeakPolarHBondContact O-CB 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.35Å; L93-V97 PolarHBondContact O-N 2.81Å; S94-V97 PolarHBondContact O-N 3.19Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 3Å; V97-V100 PolarHBondContact O-N 3.37Å; V97-F101 HydrophobicContact CG1-CD2 4.13Å; V97-F101 WeakPolarHBondContact O-CD2 3.37Å; V97-F101 PolarHBondContact O-N 2.96Å; V97-L104 HydrophobicContact CG1-CD1 4.11Å; V97-L111 HydrophobicContact CG1-CD2 4.28Å; V97-L111 HydrophobicContact CG2-CD2 4.48Å; V97-L143 HydrophobicContact CG2-CD2 3.69Å; V97-I145 HydrophobicContact CG1-CD1 3.46Å; V97-I145 VanDerWaalsContact CG1-CD1 3.46Å; V97-I145 HydrophobicContact CG1-CG1 4.08Å; V97-I145 HydrophobicContact CG2-CD1 4.4Å
98A89.1Confident83.7Confident35 Ų3556.2 Ų56.229%0.28934%0.342SS..Hα-helixtrans-61.2-38.4179.100000112.7S94 R95S94-A98 PolarHBondContact O-N 3.09Å; R95-A98 PolarHBondContact O-N 2.92Å
99A88.6Confident83.6Confident86 Ų8654.8 Ų54.871%0.71133%0.332SS*.Hα-helixtrans-71.6-35.6174.300000113.3R95 K96 V97R95-A99 WeakPolarHBondContact O-CB 3.27Å; R95-A99 PolarHBondContact O-N 2.92Å; K96-A99 PolarHBondContact O-N 2.95Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 3Å
100V90.7Very high83.6Confident35 Ų3555 Ų5521%0.21233%0.334CS..Hα-helixtrans-75.8-31.4179.9165.20000111.9R78 F80 K96 V97R78-V100 HydrophobicContact CB-CG1 3.75Å; R78-V100 WeakPolarHBondContact CD-O 3.4Å; R78-V100 HydrophobicContact CG-CG1 4.25Å; R78-V100 VanDerWaalsContact CZ-O 3.23Å; R78-V100 PolarHBondContact NE-O 3.39Å; R78-V100 PolarHBondContact NH1-O 2.94Å; F80-V100 HydrophobicContact CD1-CB 4.41Å; F80-V100 HydrophobicContact CD1-CG1 3.91Å; F80-V100 HydrophobicContact CD1-CG2 4.15Å; F80-V100 HydrophobicContact CE1-CG1 4.25Å; F80-V100 HydrophobicContact CG-CG2 4.36Å; K96-V100 HydrophobicContact CG-CG2 4.29Å; K96-V100 WeakPolarHBondContact O-CB 3.4Å; K96-V100 WeakPolarHBondContact O-CG2 3.1Å; K96-V100 PolarHBondContact O-N 2.85Å; V97-V100 PolarHBondContact O-N 3.37Å
101F88.5Confident83.7Confident0 Ų053 Ų530%033%0.325CS..  trans-106.795.4176.1-70.6-96.3000110.9A65 L67 E76 R78 V97 N103 L104 I145A65-F101 HydrophobicContact CB-CE2 3.55Å; A65-F101 HydrophobicContact CB-CZ 3.71Å; L67-F101 HydrophobicContact CB-CD1 4.14Å; L67-F101 HydrophobicContact CB-CE1 3.77Å; L67-F101 HydrophobicContact CB-CZ 4.48Å; L67-F101 HydrophobicContact CD2-CD1 4.08Å; E76-F101 HydrophobicContact CB-CE1 4.2Å; E76-F101 HydrophobicContact CG-CD1 4.27Å; E76-F101 HydrophobicContact CG-CE1 3.96Å; R78-F101 HydrophobicContact CB-CE1 4.14Å; R78-F101 HydrophobicContact CB-CE2 3.96Å; R78-F101 HydrophobicContact CB-CZ 3.64Å; R78-F101 HydrophobicContact CG-CD1 4.22Å; R78-F101 HydrophobicContact CG-CE1 3.74Å; R78-F101 HydrophobicContact CG-CE2 4.32Å; R78-F101 HydrophobicContact CG-CZ 3.8Å; V97-F101 HydrophobicContact CG1-CD2 4.13Å; V97-F101 WeakPolarHBondContact O-CD2 3.37Å; V97-F101 PolarHBondContact O-N 2.96Å; F101-N103 PolarHBondContact O-N 3.34Å; F101-L104 HydrophobicContact CB-CB 4.38Å; F101-L104 HydrophobicContact CB-CD1 3.84Å; F101-L104 HydrophobicContact CB-CG 3.96Å; F101-L104 HydrophobicContact CG-CD1 4.32Å; F101-L104 PolarHBondContact O-N 3.34Å; F101-I145 HydrophobicContact CD2-CD1 3.98Å; F101-I145 HydrophobicContact CE2-CD1 3.53Å; F101-I145 HydrophobicContact CZ-CD1 3.89Å
102S79.3Confident83.9Confident74 Ų7449.2 Ų49.252%0.51731%0.307SS..G310 helixtrans-53.1-24.8175.453.60000114.1L104 S105S102-L104 PolarHBondContact O-N 3.36Å; S102-S105 PolarHBondContact O-OG 3.34Å
103N72.4Confident84.1Confident103 Ų10346.7 Ų46.755%0.55130%0.297SS*.G310 helixtrans-71.5-7.9176.6-62.4-37.5000113.9L67 E76 F101L67-N103 HydrophobicContact CD2-CB 4.47Å; E76-N103 PolarHBondContact OE2-ND2 3.26Å; F101-N103 PolarHBondContact O-N 3.34Å
104L71.6Confident84.1Confident5 Ų550.5 Ų50.53%0.02631%0.314CS..G310 helixtrans-112.63.6-179-60.7179.6000113.5L67 V97 F101 S102 G106 S107 C109 I145 E147L67-L104 HydrophobicContact CD1-CD1 4.35Å; L67-L104 HydrophobicContact CD1-CD2 4.04Å; V97-L104 HydrophobicContact CG1-CD1 4.11Å; F101-L104 HydrophobicContact CB-CB 4.38Å; F101-L104 HydrophobicContact CB-CD1 3.84Å; F101-L104 HydrophobicContact CB-CG 3.96Å; F101-L104 HydrophobicContact CG-CD1 4.32Å; F101-L104 PolarHBondContact O-N 3.34Å; S102-L104 PolarHBondContact O-N 3.36Å; L104-G106 PolarHBondContact O-N 3.23Å; L104-S107 PolarHBondContact O-N 3.38Å; L104-C109 HydrophobicContact CD1-CB 4.2Å; L104-I145 HydrophobicContact CD1-CG2 3.86Å; L104-E147 HydrophobicContact CD2-CB 4.34Å; L104-E147 HydrophobicContact CD2-CG 4.38Å
105S60.3Low84.2Confident105 Ų10550.5 Ų50.573%0.73431%0.312SS*.THydrogen-bonded Turntrans-68.314.5-16771.20000116.6S102S102-S105 PolarHBondContact O-OG 3.34Å
106G60.5Low84.2Confident80 Ų8050.8 Ų50.883%0.82532%0.32SS*.THydrogen-bonded Turntrans-160.84174.200000114.3L104L104-G106 PolarHBondContact O-N 3.23Å
107S71.5Confident84.2Confident45 Ų4555.7 Ų55.732%0.31535%0.348SS..SBendtrans-105.2138.8176-700000109L104 E147L104-S107 PolarHBondContact O-N 3.38Å; S107-E147 PolarHBondContact OG-OE1 2.97Å
108T75.5Confident84.1Confident76 Ų7657 Ų5747%0.46636%0.361SS..EExtended strand (participates in β ladder)trans-65.1143.316560.20000109.3R148T108-R148 CarbonylContact O-C 3.6Å; T108-R148 WeakPolarHBondContact O-CA 3.43Å; T108-R148 WeakPolarHBondContact O-CB 3.13Å; T108-R148 PolarHBondContact O-N 3.38Å; T108-R148 VanDerWaalsContact O-O 3.13Å; T108-R148 PolarHBondContact OG1-O 3.11Å
109C85.8Confident84.3Confident22 Ų2260.8 Ų60.815%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-125.8135.2179.861.40000110.4L104 I145L104-C109 HydrophobicContact CD1-CB 4.2Å; C109-I145 HydrophobicContact CB-CG2 3.84Å
110S91.4Very high84.5Confident36 Ų3658.3 Ų58.325%0.25235%0.351SS..EExtended strand (participates in β ladder)trans-92.7133.8171.7-700000109.1F112 I145 R146S110-F112 VanDerWaalsContact CB-CE2 3.42Å; S110-F112 WeakPolarHBondContact O-CD2 3.47Å; S110-F112 VanDerWaalsContact O-CE2 3.27Å; S110-F112 WeakPolarHBondContact O-CE2 3.3Å; S110-I145 WeakPolarHBondContact O-CA 3.37Å; S110-R146 PolarHBondContact N-O 3.38Å; S110-R146 PolarHBondContact O-N 3.32Å
111L94.2Very high84.7Confident1 Ų158.9 Ų58.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-101.4142.6179.4-60.3-169.8000110.1F90 L93 V97 A122 F123 L143 I145F90-L111 HydrophobicContact CD2-CD1 4.26Å; F90-L111 HydrophobicContact CE2-CB 4.32Å; F90-L111 HydrophobicContact CE2-CD1 3.77Å; F90-L111 HydrophobicContact CE2-CG 4.2Å; L93-L111 HydrophobicContact CG-CD1 4.42Å; V97-L111 HydrophobicContact CG1-CD2 4.28Å; V97-L111 HydrophobicContact CG2-CD2 4.48Å; L111-A122 WeakPolarHBondContact O-CA 3.35Å; L111-F123 HydrophobicContact CB-CD1 4.15Å; L111-F123 HydrophobicContact CB-CD2 4.48Å; L111-F123 HydrophobicContact CB-CE1 3.68Å; L111-F123 HydrophobicContact CB-CE2 4.03Å; L111-F123 HydrophobicContact CB-CZ 3.61Å; L111-F123 HydrophobicContact CD1-CE2 4.06Å; L111-F123 HydrophobicContact CD1-CZ 4.02Å; L111-F123 HydrophobicContact CG-CZ 4.47Å; L111-F123 PolarHBondContact O-N 3.06Å; L111-L143 HydrophobicContact CB-CD1 4.04Å; L111-L143 HydrophobicContact CD2-CD1 4.31Å; L111-I145 HydrophobicContact CD2-CG1 3.89Å; L111-I145 HydrophobicContact CD2-CG2 4.27Å
112F95.4Very high85Confident24 Ų2461.4 Ų61.411%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-142.4148.8-176.9-52.3-105.2000110.6S110 L120 V121 A122 Y144 R146S110-F112 VanDerWaalsContact CB-CE2 3.42Å; S110-F112 WeakPolarHBondContact O-CD2 3.47Å; S110-F112 VanDerWaalsContact O-CE2 3.27Å; S110-F112 WeakPolarHBondContact O-CE2 3.3Å; F112-L120 HydrophobicContact CB-CB 4.48Å; F112-L120 HydrophobicContact CB-CD2 4.22Å; F112-L120 HydrophobicContact CD1-CB 4.34Å; F112-L120 WeakPolarHBondContact CD1-O 3.22Å; F112-V121 CarbonylContact C-O 3.6Å; F112-V121 WeakPolarHBondContact CA-O 3.48Å; F112-V121 WeakPolarHBondContact CB-O 3.34Å; F112-A122 VanDerWaalsContact CD1-CA 3.5Å; F112-A122 HydrophobicContact CD1-CB 3.67Å; F112-A122 HydrophobicContact CE1-CB 3.61Å; F112-A122 HydrophobicContact CZ-CB 4.42Å; F112-Y144 PolarHBondContact N-O 3.49Å; F112-Y144 PolarHBondContact O-N 3.25Å; F112-R146 HydrophobicContact CD2-CG 4.03Å; F112-R146 HydrophobicContact CE2-CB 3.66Å; F112-R146 HydrophobicContact CE2-CG 3.44Å; F112-R146 VanDerWaalsContact CE2-CG 3.44Å; F112-R146 HydrophobicContact CZ-CB 4.27Å; F112-R146 HydrophobicContact CZ-CG 3.96Å
113Y94.8Very high85.7Confident19 Ų1958.2 Ų58.28%0.07535%0.352CS..EExtended strand (participates in β ladder)trans-111.8-17916564.1-90.4000110.4D115 L120 V121 F123 F135Y113-D115 HydrophobicContact CE2-CB 4.2Å; Y113-L120 WeakPolarHBondContact O-CA 3.38Å; Y113-V121 HydrophobicContact CD1-CB 4.33Å; Y113-V121 HydrophobicContact CD2-CB 4.45Å; Y113-V121 HydrophobicContact CE1-CB 3.92Å; Y113-V121 HydrophobicContact CE1-CG1 3.76Å; Y113-V121 HydrophobicContact CE2-CB 4.03Å; Y113-V121 HydrophobicContact CE2-CG1 4.44Å; Y113-V121 HydrophobicContact CE2-CG2 4.21Å; Y113-V121 PolarHBondContact N-O 3.38Å; Y113-V121 PolarHBondContact O-N 2.87Å; Y113-F123 AromaticContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CE1 4.37Å; Y113-F135 HydrophobicContact CD2-CD2 4.22Å; Y113-F135 AromaticContact CE2-CD2 3.79Å; Y113-F135 HydrophobicContact CE2-CD2 3.79Å; Y113-F135 AromaticContact CE2-CE2 3.87Å; Y113-F135 HydrophobicContact CE2-CE2 3.87Å
114K93.3Very high86.8Confident84 Ų8457.2 Ų57.237%0.36535%0.353SS..EExtended strand (participates in β ladder)trans-115.7130.7163.9-79.2-171.4174.7-68.60109.8G118 D119 L120 Y144K114-G118 WeakPolarHBondContact CD-O 3.37Å; K114-G118 PolarHBondContact NZ-O 3.46Å; K114-D119 VanDerWaalsContact CA-O 3.3Å; K114-D119 WeakPolarHBondContact CA-O 3.07Å; K114-L120 HydrophobicContact CD-CD2 4.47Å; K114-L120 HydrophobicContact CG-CD2 3.74Å; K114-L120 HydrophobicContact CG-CG 4.33Å; K114-Y144 HydrophobicContact CB-CE2 4.21Å; K114-Y144 HydrophobicContact CD-CE2 4.05Å; K114-Y144 HydrophobicContact CG-CD2 4.26Å; K114-Y144 HydrophobicContact CG-CE2 3.72Å
115D92.7Very high87.7Confident30 Ų3058.9 Ų58.916%0.1637%0.365CS..  trans-82.7-148.8-179.653.725.4000111.7Y113 D117 G118 D119 V121Y113-D115 HydrophobicContact CE2-CB 4.2Å; D115-D117 PolarHBondContact OD1-N 3.4Å; D115-G118 WeakPolarHBondContact OD1-CA 3.41Å; D115-G118 PolarHBondContact OD1-N 3.07Å; D115-D119 PolarHBondContact OD1-N 3.12Å; D115-V121 HydrophobicContact CB-CG2 4.15Å; D115-V121 WeakPolarHBondContact OD2-CG2 3.29Å
116E90.2Very high89.2Confident162 Ų16257.3 Ų57.376%0.75735%0.349SS*.SBendtrans-88.7-38.6-179.860.3-167.5145.400114.2G118 F135E116-G118 PolarHBondContact O-N 3.01Å; E116-F135 HydrophobicContact CB-CE1 4.38Å
117D91.6Very high90.7Very high148 Ų14858.8 Ų58.879%0.79134%0.338SS*.SBendtrans-68.2-26.3170-61.6-66.2000111.8D115D115-D117 PolarHBondContact OD1-N 3.4Å
118G88.8Confident91.7Very high26 Ų2659.5 Ų59.527%0.26834%0.336SS..  trans101.716.7174.400000113.6K114 D115 E116K114-G118 WeakPolarHBondContact CD-O 3.37Å; K114-G118 PolarHBondContact NZ-O 3.46Å; D115-G118 WeakPolarHBondContact OD1-CA 3.41Å; D115-G118 PolarHBondContact OD1-N 3.07Å; E116-G118 PolarHBondContact O-N 3.01Å
119D93.4Very high92.5Very high115 Ų11555.9 Ų55.962%0.61531%0.314SS*.  trans-78.3162.6179.5-89.2-31.3000112.7K114 D115 V121K114-D119 VanDerWaalsContact CA-O 3.3Å; K114-D119 WeakPolarHBondContact CA-O 3.07Å; D115-D119 PolarHBondContact OD1-N 3.12Å; D119-V121 PolarHBondContact O-N 2.87Å
120L92.8Very high92.7Very high34 Ų3459 Ų5918%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-94.579.2-177.6-77.6168.5000110.8L68 F112 Y113 K114 A122 Y144L68-L120 HydrophobicContact CD1-CD1 4.17Å; F112-L120 HydrophobicContact CB-CB 4.48Å; F112-L120 HydrophobicContact CB-CD2 4.22Å; F112-L120 HydrophobicContact CD1-CB 4.34Å; F112-L120 WeakPolarHBondContact CD1-O 3.22Å; Y113-L120 WeakPolarHBondContact O-CA 3.38Å; K114-L120 HydrophobicContact CD-CD2 4.47Å; K114-L120 HydrophobicContact CG-CD2 3.74Å; K114-L120 HydrophobicContact CG-CG 4.33Å; L120-A122 PolarHBondContact O-N 2.88Å; L120-Y144 HydrophobicContact CD2-CD1 4.23Å; L120-Y144 HydrophobicContact CD2-CD2 3.66Å; L120-Y144 HydrophobicContact CD2-CE2 4.31Å; L120-Y144 HydrophobicContact CD2-CG 3.62Å
121V94.5Very high92.6Very high48 Ų4862.3 Ų62.329%0.29134%0.34SS..EExtended strand (participates in β ladder)trans-66.7120.9175.3-174.40000110F112 Y113 D115 D119F112-V121 CarbonylContact C-O 3.6Å; F112-V121 WeakPolarHBondContact CA-O 3.48Å; F112-V121 WeakPolarHBondContact CB-O 3.34Å; Y113-V121 HydrophobicContact CD1-CB 4.33Å; Y113-V121 HydrophobicContact CD2-CB 4.45Å; Y113-V121 HydrophobicContact CE1-CB 3.92Å; Y113-V121 HydrophobicContact CE1-CG1 3.76Å; Y113-V121 HydrophobicContact CE2-CB 4.03Å; Y113-V121 HydrophobicContact CE2-CG1 4.44Å; Y113-V121 HydrophobicContact CE2-CG2 4.21Å; Y113-V121 PolarHBondContact N-O 3.38Å; Y113-V121 PolarHBondContact O-N 2.87Å; D115-V121 HydrophobicContact CB-CG2 4.15Å; D115-V121 WeakPolarHBondContact OD2-CG2 3.29Å; D119-V121 PolarHBondContact O-N 2.87Å
122A94.9Very high92.3Very high53 Ų5362.2 Ų62.244%0.43834%0.34SS..EExtended strand (participates in β ladder)trans-75149.317400000110.9L111 F112 L120L111-A122 WeakPolarHBondContact O-CA 3.35Å; F112-A122 VanDerWaalsContact CD1-CA 3.5Å; F112-A122 HydrophobicContact CD1-CB 3.67Å; F112-A122 HydrophobicContact CE1-CB 3.61Å; F112-A122 HydrophobicContact CZ-CB 4.42Å; L120-A122 PolarHBondContact O-N 2.88Å
123F94.9Very high92Very high7 Ų762.5 Ų62.53%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-140.7149.8170.168.5-84000112.2F90 L93 L111 Y113 E128 L129 F141 L143F90-F123 AromaticContact CD2-CD2 3.63Å; F90-F123 HydrophobicContact CD2-CD2 3.63Å; F90-F123 AromaticContact CD2-CE2 3.71Å; F90-F123 HydrophobicContact CD2-CE2 3.71Å; F90-F123 AromaticContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CE2 4.12Å; F90-F123 WeakPolarHBondContact CE2-O 3.44Å; L93-F123 HydrophobicContact CD2-CE2 4.14Å; L93-F123 HydrophobicContact CD2-CZ 4.09Å; L111-F123 HydrophobicContact CB-CD1 4.15Å; L111-F123 HydrophobicContact CB-CD2 4.48Å; L111-F123 HydrophobicContact CB-CE1 3.68Å; L111-F123 HydrophobicContact CB-CE2 4.03Å; L111-F123 HydrophobicContact CB-CZ 3.61Å; L111-F123 HydrophobicContact CD1-CE2 4.06Å; L111-F123 HydrophobicContact CD1-CZ 4.02Å; L111-F123 HydrophobicContact CG-CZ 4.47Å; L111-F123 PolarHBondContact O-N 3.06Å; Y113-F123 AromaticContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CE1 4.37Å; F123-E128 HydrophobicContact CB-CB 3.55Å; F123-L129 HydrophobicContact CD2-CB 3.9Å; F123-L129 HydrophobicContact CD2-CD1 4.42Å; F123-L129 HydrophobicContact CE2-CB 3.95Å; F123-L129 HydrophobicContact CE2-CD1 3.7Å; F123-L129 HydrophobicContact CE2-CD2 4.49Å; F123-L129 HydrophobicContact CE2-CG 4.24Å; F123-L129 HydrophobicContact CZ-CD1 4.02Å; F123-F141 HydrophobicContact CE1-CZ 4.28Å; F123-F141 HydrophobicContact CZ-CE1 4.21Å; F123-F141 HydrophobicContact CZ-CZ 4.24Å; F123-L143 HydrophobicContact CE1-CD1 3.59Å; F123-L143 HydrophobicContact CZ-CD1 3.52Å
124S93.9Very high91.6Very high81 Ų8166.1 Ų66.157%0.56637%0.37SS*.  trans-142.4-5.9-171.862.90000114.6F90 E128F90-S124 VanDerWaalsContact CD1-O 3.23Å; F90-S124 WeakPolarHBondContact CD1-O 3.3Å; F90-S124 VanDerWaalsContact CE1-O 3.3Å; F90-S124 WeakPolarHBondContact CE1-O 3.37Å; S124-E128 WeakPolarHBondContact CA-OE2 3.16Å; S124-E128 PolarHBondContact N-OE2 3Å; S124-E128 PolarHBondContact OG-OE2 3.47Å
125S92.2Very high91.1Very high41 Ų4165.1 Ų65.129%0.28737%0.366SS..SBendtrans-130.3166.7-178.1630000112.5E128 L129S125-E128 WeakPolarHBondContact CB-OE2 3.3Å; S125-E128 PolarHBondContact N-OE2 3Å; S125-E128 WeakPolarHBondContact OG-CB 2.88Å; S125-E128 WeakPolarHBondContact OG-CG 3.37Å; S125-E128 PolarHBondContact OG-N 2.67Å; S125-E128 PolarHBondContact OG-OE2 3.11Å; S125-L129 WeakPolarHBondContact O-CB 3.28Å; S125-L129 PolarHBondContact O-N 3.11Å; S125-L129 VanDerWaalsContact O-N 3.08Å
126D91.9Very high90.8Very high71 Ų7165.9 Ų65.938%0.3837%0.371SS..Hα-helixtrans-66.2-36.7177.4-72.713.2000111.4C88 F90 L129 M130C88-D126 WeakPolarHBondContact O-CB 3.48Å; F90-D126 VanDerWaalsContact CB-OD1 3.25Å; F90-D126 WeakPolarHBondContact CB-OD1 3.46Å; F90-D126 PolarHBondContact N-OD1 3.36Å; D126-L129 PolarHBondContact O-N 3.39Å; D126-M130 WeakPolarHBondContact O-CG 3.46Å; D126-M130 PolarHBondContact O-N 2.92Å
127D90.2Very high90.2Very high111 Ų11163.6 Ų63.659%0.59436%0.359SS*.Hα-helixtrans-68.9-43.4178.2-64.3-63.6000112.7L129 M130 M131D127-L129 VanDerWaalsContact C-N 3.29Å; D127-L129 PolarHBondContact O-N 3.3Å; D127-M130 HydrophobicContact CB-CE 4.48Å; D127-M130 PolarHBondContact O-N 3.36Å; D127-M130 VanDerWaalsContact O-N 3.15Å; D127-M130 WeakPolarHBondContact OD1-CE 3.38Å; D127-M131 PolarHBondContact O-N 3.31Å
128E94.3Very high89.6Confident60 Ų6062.8 Ų62.828%0.2835%0.354SS..Hα-helixtrans-64.2-35172.9-65.1164.3133.500111.8F123 S124 S125 M131 G132F123-E128 HydrophobicContact CB-CB 3.55Å; S124-E128 WeakPolarHBondContact CA-OE2 3.16Å; S124-E128 PolarHBondContact N-OE2 3Å; S124-E128 PolarHBondContact OG-OE2 3.47Å; S125-E128 WeakPolarHBondContact CB-OE2 3.3Å; S125-E128 PolarHBondContact N-OE2 3Å; S125-E128 WeakPolarHBondContact OG-CB 2.88Å; S125-E128 WeakPolarHBondContact OG-CG 3.37Å; S125-E128 PolarHBondContact OG-N 2.67Å; S125-E128 PolarHBondContact OG-OE2 3.11Å; E128-M131 HydrophobicContact CB-CE 4.32Å; E128-M131 HydrophobicContact CG-CE 4.08Å; E128-M131 PolarHBondContact O-N 3.34Å; E128-G132 PolarHBondContact O-N 2.87Å
129L92Very high89.2Confident0 Ų064.4 Ų64.40%037%0.365CS..Hα-helixtrans-65.4-40171.6173.457000111.3F90 L93 F123 S125 D126 D127 M131 G132 L133 F141F90-L129 HydrophobicContact CB-CD2 4.39Å; L93-L129 HydrophobicContact CB-CD2 4.39Å; L93-L129 HydrophobicContact CD2-CD1 3.69Å; L93-L129 HydrophobicContact CD2-CD2 3.85Å; L93-L129 HydrophobicContact CD2-CG 4.47Å; F123-L129 HydrophobicContact CD2-CB 3.9Å; F123-L129 HydrophobicContact CD2-CD1 4.42Å; F123-L129 HydrophobicContact CE2-CB 3.95Å; F123-L129 HydrophobicContact CE2-CD1 3.7Å; F123-L129 HydrophobicContact CE2-CD2 4.49Å; F123-L129 HydrophobicContact CE2-CG 4.24Å; F123-L129 HydrophobicContact CZ-CD1 4.02Å; S125-L129 WeakPolarHBondContact O-CB 3.28Å; S125-L129 PolarHBondContact O-N 3.11Å; S125-L129 VanDerWaalsContact O-N 3.08Å; D126-L129 PolarHBondContact O-N 3.39Å; D127-L129 VanDerWaalsContact C-N 3.29Å; D127-L129 PolarHBondContact O-N 3.3Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 3.05Å; L129-G132 PolarHBondContact O-N 2.69Å; L129-L133 HydrophobicContact CD1-CD1 4.06Å; L129-L133 HydrophobicContact CD1-CG 3.93Å; L129-L133 HydrophobicContact CG-CD1 3.97Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.4Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 2.68Å; L129-F141 HydrophobicContact CD1-CE1 3.85Å; L129-F141 HydrophobicContact CD1-CZ 4Å
130M89.1Confident89Confident87 Ų8759.7 Ų59.743%0.42934%0.341SS..Hα-helixtrans-63.4-37.8174-73.9-170.8-68.300112.4C88 D126 D127 L133 S134C88-M130 HydrophobicContact CB-CG 3.93Å; C88-M130 HydrophobicContact CB-SD 4.27Å; D126-M130 WeakPolarHBondContact O-CG 3.46Å; D126-M130 PolarHBondContact O-N 2.92Å; D127-M130 HydrophobicContact CB-CE 4.48Å; D127-M130 PolarHBondContact O-N 3.36Å; D127-M130 VanDerWaalsContact O-N 3.15Å; D127-M130 WeakPolarHBondContact OD1-CE 3.38Å; M130-L133 PolarHBondContact O-N 3.46Å; M130-S134 PolarHBondContact O-N 3.47Å
131M89.7Confident89Confident106 Ų10658.3 Ų58.352%0.52233%0.333SS..Hα-helixtrans-60.2-50.5170-67.2-166.3-71.200111.1D127 E128 L129 L133 S134 F135D127-M131 PolarHBondContact O-N 3.31Å; E128-M131 HydrophobicContact CB-CE 4.32Å; E128-M131 HydrophobicContact CG-CE 4.08Å; E128-M131 PolarHBondContact O-N 3.34Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 3.05Å; M131-L133 VanDerWaalsContact C-N 3.3Å; M131-L133 PolarHBondContact O-N 2.8Å; M131-S134 WeakPolarHBondContact O-CB 3.46Å; M131-S134 PolarHBondContact O-N 2.97Å; M131-S134 VanDerWaalsContact O-N 3.11Å; M131-S134 PolarHBondContact O-OG 3.3Å; M131-F135 VanDerWaalsContact O-CD2 3.3Å; M131-F135 WeakPolarHBondContact O-CD2 3.43Å
132G88.1Confident89Confident0 Ų060.2 Ų60.20%034%0.335CS..Hα-helixtrans-58.9-36.8176.200000114.1E128 L129 S134 F135 F141E128-G132 PolarHBondContact O-N 2.87Å; L129-G132 PolarHBondContact O-N 2.69Å; G132-S134 VanDerWaalsContact C-N 3.27Å; G132-S134 PolarHBondContact O-N 3Å; G132-F135 PolarHBondContact O-N 3Å; G132-F141 WeakPolarHBondContact O-CE2 3.45Å
133L89.2Confident89Confident30 Ų3057.7 Ų57.716%0.15732%0.315CS..Hα-helixtrans-68.4-22177.7-75168.9000113.4V61 S87 L129 M130 M131 F135 V136 F141V61-L133 HydrophobicContact CG1-CD2 4.17Å; V61-L133 HydrophobicContact CG2-CD2 4.45Å; S87-L133 WeakPolarHBondContact O-CD1 3.21Å; L129-L133 HydrophobicContact CD1-CD1 4.06Å; L129-L133 HydrophobicContact CD1-CG 3.93Å; L129-L133 HydrophobicContact CG-CD1 3.97Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.4Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 2.68Å; M130-L133 PolarHBondContact O-N 3.46Å; M131-L133 VanDerWaalsContact C-N 3.3Å; M131-L133 PolarHBondContact O-N 2.8Å; L133-F135 PolarHBondContact O-N 3.19Å; L133-V136 HydrophobicContact CD2-CG2 4Å; L133-V136 WeakPolarHBondContact O-CB 3.25Å; L133-V136 WeakPolarHBondContact O-CG2 3.41Å; L133-V136 PolarHBondContact O-N 3.33Å; L133-F141 HydrophobicContact CD2-CB 4.35Å; L133-F141 HydrophobicContact CD2-CD1 4.28Å; L133-F141 HydrophobicContact CD2-CD2 4.16Å; L133-F141 HydrophobicContact CD2-CG 4.02Å
134S86.5Confident89Confident94 Ų9458.9 Ų58.966%0.65732%0.319SS*.Hα-helixtrans-64.8-27.7173.377.10000112.7M130 M131 G132 V136M130-S134 PolarHBondContact O-N 3.47Å; M131-S134 WeakPolarHBondContact O-CB 3.46Å; M131-S134 PolarHBondContact O-N 2.97Å; M131-S134 VanDerWaalsContact O-N 3.11Å; M131-S134 PolarHBondContact O-OG 3.3Å; G132-S134 VanDerWaalsContact C-N 3.27Å; G132-S134 PolarHBondContact O-N 3Å; S134-V136 VanDerWaalsContact C-N 3.27Å; S134-V136 PolarHBondContact O-N 3.17Å
135F82.8Confident89.1Confident64 Ų6455 Ų5528%0.28129%0.292SS..THydrogen-bonded Turntrans-8411.2177.7-60-85000113.9Y113 E116 M131 G132 L133 K137Y113-F135 HydrophobicContact CD2-CD2 4.22Å; Y113-F135 AromaticContact CE2-CD2 3.79Å; Y113-F135 HydrophobicContact CE2-CD2 3.79Å; Y113-F135 AromaticContact CE2-CE2 3.87Å; Y113-F135 HydrophobicContact CE2-CE2 3.87Å; E116-F135 HydrophobicContact CB-CE1 4.38Å; M131-F135 VanDerWaalsContact O-CD2 3.3Å; M131-F135 WeakPolarHBondContact O-CD2 3.43Å; G132-F135 PolarHBondContact O-N 3Å; L133-F135 PolarHBondContact O-N 3.19Å; F135-K137 PolarHBondContact O-N 3.01Å
136V85.4Confident89Confident46 Ų4656.7 Ų56.728%0.27929%0.292SS..  trans-65.1107.4180169.60000111.5L133 S134 F141L133-V136 HydrophobicContact CD2-CG2 4Å; L133-V136 WeakPolarHBondContact O-CB 3.25Å; L133-V136 WeakPolarHBondContact O-CG2 3.41Å; L133-V136 PolarHBondContact O-N 3.33Å; S134-V136 VanDerWaalsContact C-N 3.27Å; S134-V136 PolarHBondContact O-N 3.17Å; V136-F141 HydrophobicContact CG2-CB 3.84Å; V136-F141 HydrophobicContact CG2-CD2 3.82Å; V136-F141 HydrophobicContact CG2-CG 4.22Å
137K79.1Confident88.8Confident114 Ų11457 Ų5750%0.49629%0.291SS..BIsolated β-bridgetrans-93.5139.2172.2-66.2160.1-174.1169.50109F135 A139 T140F135-K137 PolarHBondContact O-N 3.01Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.75Å; K137-T140 PolarHBondContact O-N 2.99Å
138D77.9Confident88.2Confident130 Ų13059.4 Ų59.470%0.69529%0.292SS*.THydrogen-bonded Turntrans56.536.9174-37.2-57.9000114.9T140 R142D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 PolarHBondContact O-OG1 3.14Å; D138-T140 VanDerWaalsContact O-OG1 3.14Å; D138-R142 IonicContact OD2-NH2 3.49Å; D138-R142 PolarHBondContact OD2-NH2 2.95Å
139A80.3Confident86.7Confident60 Ų6064.7 Ų64.750%0.49631%0.314SS..THydrogen-bonded Turntrans51.618-171.600000114.7T62 K137T62-A139 PolarHBondContact N-O 2.78Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.75Å
140T89.5Confident84.8Confident16 Ų1670.4 Ų70.410%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-117.6104.3-175.8-60.60000110.6T62 K64 R79 K137 D138 R142T62-T140 CarbonylContact O-C 3.48Å; T62-T140 WeakPolarHBondContact O-CA 3.34Å; K64-T140 HydrophobicContact CB-CG2 3.73Å; R79-T140 PolarHBondContact NH2-OG1 3.25Å; K137-T140 PolarHBondContact O-N 2.99Å; D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 PolarHBondContact O-OG1 3.14Å; D138-T140 VanDerWaalsContact O-OG1 3.14Å; T140-R142 PolarHBondContact O-N 2.98Å
141F93Very high82.4Confident6 Ų674.1 Ų74.13%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-70.2123.3170.2-174.1-131.1000109.6V61 T62 V63 K64 L93 F123 L129 G132 L133 V136 L143V61-F141 HydrophobicContact CG1-CB 3.74Å; T62-F141 PolarHBondContact O-N 2.88Å; V63-F141 HydrophobicContact CG1-CD1 4.41Å; V63-F141 HydrophobicContact CG2-CD1 4.36Å; K64-F141 PolarHBondContact N-O 3.34Å; L93-F141 HydrophobicContact CD2-CE1 4.25Å; F123-F141 HydrophobicContact CE1-CZ 4.28Å; F123-F141 HydrophobicContact CZ-CE1 4.21Å; F123-F141 HydrophobicContact CZ-CZ 4.24Å; L129-F141 HydrophobicContact CD1-CE1 3.85Å; L129-F141 HydrophobicContact CD1-CZ 4Å; G132-F141 WeakPolarHBondContact O-CE2 3.45Å; L133-F141 HydrophobicContact CD2-CB 4.35Å; L133-F141 HydrophobicContact CD2-CD1 4.28Å; L133-F141 HydrophobicContact CD2-CD2 4.16Å; L133-F141 HydrophobicContact CD2-CG 4.02Å; V136-F141 HydrophobicContact CG2-CB 3.84Å; V136-F141 HydrophobicContact CG2-CD2 3.82Å; V136-F141 HydrophobicContact CG2-CG 4.22Å; F141-L143 HydrophobicContact CD1-CB 4.25Å; F141-L143 HydrophobicContact CE1-CB 4.19Å; F141-L143 HydrophobicContact CE1-CD1 4.15Å
142R94.1Very high80Confident88 Ų8876.3 Ų76.333%0.33236%0.359SS..EExtended strand (participates in β ladder)trans-95.899.6178.6-65.5-173.8-175.983.12.6108.8Y66 D138 T140 Y144Y66-R142 HydrophobicContact CE2-CB 4.37Å; Y66-R142 HydrophobicContact CE2-CG 4.47Å; D138-R142 IonicContact OD2-NH2 3.49Å; D138-R142 PolarHBondContact OD2-NH2 2.95Å; T140-R142 PolarHBondContact O-N 2.98Å; R142-Y144 HydrophobicContact CB-CE2 4.16Å
143L95.1Very high77.9Confident0 Ų086.3 Ų86.30%040%0.397CS..EExtended strand (participates in β ladder)trans-98.8129.7-176.7177.558.8000109.7V63 K64 A65 Y66 L93 V97 L111 F123 F141 I145V63-L143 HydrophobicContact CG1-CB 3.79Å; V63-L143 HydrophobicContact CG1-CD2 3.75Å; V63-L143 HydrophobicContact CG1-CG 4.44Å; K64-L143 PolarHBondContact O-N 2.88Å; A65-L143 CarbonylContact C-O 3.49Å; A65-L143 VanDerWaalsContact CA-O 3.28Å; A65-L143 WeakPolarHBondContact CA-O 3.06Å; A65-L143 HydrophobicContact CB-CB 4.49Å; A65-L143 HydrophobicContact CB-CD2 4.46Å; Y66-L143 PolarHBondContact N-O 2.96Å; L93-L143 HydrophobicContact CD1-CD2 4.14Å; L93-L143 HydrophobicContact CD2-CD2 4.26Å; L93-L143 HydrophobicContact CG-CD2 4.29Å; V97-L143 HydrophobicContact CG2-CD2 3.69Å; L111-L143 HydrophobicContact CB-CD1 4.04Å; L111-L143 HydrophobicContact CD2-CD1 4.31Å; F123-L143 HydrophobicContact CE1-CD1 3.59Å; F123-L143 HydrophobicContact CZ-CD1 3.52Å; F141-L143 HydrophobicContact CD1-CB 4.25Å; F141-L143 HydrophobicContact CE1-CB 4.19Å; F141-L143 HydrophobicContact CE1-CD1 4.15Å; L143-I145 HydrophobicContact CG-CG1 4.41Å
144Y95.1Very high75.3Confident31 Ų3189.1 Ų89.112%0.12241%0.412CS..EExtended strand (participates in β ladder)trans-110.7139.5175.4-59.8-91.6000109.1Y66 L68 F112 K114 L120 R142Y66-Y144 HydrophobicContact CD1-CE1 4.33Å; Y66-Y144 HydrophobicContact CD2-CD1 4.29Å; Y66-Y144 HydrophobicContact CD2-CE1 4Å; Y66-Y144 HydrophobicContact CE2-CE1 4.43Å; Y66-Y144 HydrophobicContact CG-CD1 4.09Å; Y66-Y144 AromaticContact CG-CE1 3.94Å; Y66-Y144 HydrophobicContact CG-CE1 3.94Å; Y66-Y144 WeakPolarHBondContact O-CA 3.19Å; L68-Y144 HydrophobicContact CD2-CD1 4.19Å; F112-Y144 PolarHBondContact N-O 3.49Å; F112-Y144 PolarHBondContact O-N 3.25Å; K114-Y144 HydrophobicContact CB-CE2 4.21Å; K114-Y144 HydrophobicContact CD-CE2 4.05Å; K114-Y144 HydrophobicContact CG-CD2 4.26Å; K114-Y144 HydrophobicContact CG-CE2 3.72Å; L120-Y144 HydrophobicContact CD2-CD1 4.23Å; L120-Y144 HydrophobicContact CD2-CD2 3.66Å; L120-Y144 HydrophobicContact CD2-CE2 4.31Å; L120-Y144 HydrophobicContact CD2-CG 3.62Å; R142-Y144 HydrophobicContact CB-CE2 4.16Å
145I94.5Very high72.9Confident0 Ų090.5 Ų90.50%041%0.406CS..EExtended strand (participates in β ladder)trans-125.8122.7-174.2-53157.5000108.2A65 Y66 L67 L68 V97 F101 L104 C109 S110 L111 L143A65-I145 HydrophobicContact CB-CD1 3.92Å; Y66-I145 PolarHBondContact O-N 2.85Å; L67-I145 HydrophobicContact CD1-CB 4.22Å; L67-I145 HydrophobicContact CD1-CG2 4.09Å; L68-I145 WeakPolarHBondContact CB-O 3.42Å; L68-I145 PolarHBondContact N-O 2.82Å; V97-I145 HydrophobicContact CG1-CD1 3.46Å; V97-I145 VanDerWaalsContact CG1-CD1 3.46Å; V97-I145 HydrophobicContact CG1-CG1 4.08Å; V97-I145 HydrophobicContact CG2-CD1 4.4Å; F101-I145 HydrophobicContact CD2-CD1 3.98Å; F101-I145 HydrophobicContact CE2-CD1 3.53Å; F101-I145 HydrophobicContact CZ-CD1 3.89Å; L104-I145 HydrophobicContact CD1-CG2 3.86Å; C109-I145 HydrophobicContact CB-CG2 3.84Å; S110-I145 WeakPolarHBondContact O-CA 3.37Å; L111-I145 HydrophobicContact CD2-CG1 3.89Å; L111-I145 HydrophobicContact CD2-CG2 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.41Å
146R91.3Very high70.9Confident76 Ų7692.2 Ų92.229%0.28742%0.424SS..EExtended strand (participates in β ladder)trans-103.5131.7165.4-56.4-178.4-168.4-126.5-1.6108.4L68 E72 S110 F112 R148L68-R146 HydrophobicContact CB-CG 4.4Å; L68-R146 HydrophobicContact CD1-CG 4.18Å; E72-R146 VanDerWaalsContact CD-NH2 3.34Å; E72-R146 IonicContact OE1-CZ 3.45Å; E72-R146 IonicContact OE1-NH1 2.69Å; E72-R146 PolarHBondContact OE1-NH1 2.99Å; E72-R146 IonicContact OE1-NH2 3.9Å; E72-R146 PolarHBondContact OE1-NH2 2.85Å; E72-R146 IonicContact OE2-NH2 3.15Å; S110-R146 PolarHBondContact N-O 3.38Å; S110-R146 PolarHBondContact O-N 3.32Å; F112-R146 HydrophobicContact CD2-CG 4.03Å; F112-R146 HydrophobicContact CE2-CB 3.66Å; F112-R146 HydrophobicContact CE2-CG 3.44Å; F112-R146 VanDerWaalsContact CE2-CG 3.44Å; F112-R146 HydrophobicContact CZ-CB 4.27Å; F112-R146 HydrophobicContact CZ-CG 3.96Å; R146-R148 PolarHBondContact O-N 2.66Å; R146-R148 VanDerWaalsContact O-N 3.09Å
147E86.6Confident68.9Low79 Ų7996.3 Ų96.337%0.36944%0.444SS..EExtended strand (participates in β ladder)trans-65.6108.7168.8-176.9-178.1-171.200108.1K75 L104 S107 K149K75-E147 IonicContact NZ-OE2 3.67Å; L104-E147 HydrophobicContact CD2-CB 4.34Å; L104-E147 HydrophobicContact CD2-CG 4.38Å; S107-E147 PolarHBondContact OG-OE1 2.97Å; E147-K149 PolarHBondContact O-N 2.97Å
148R78.1Confident67.4Low160 Ų160100.1 Ų100.160%0.60446%0.463SS*.EExtended strand (participates in β ladder)trans-77.881.7171.1-174.7-179.4-173.4167.72.5106T108 R146 E150T108-R148 CarbonylContact O-C 3.6Å; T108-R148 WeakPolarHBondContact O-CA 3.43Å; T108-R148 WeakPolarHBondContact O-CB 3.13Å; T108-R148 PolarHBondContact O-N 3.38Å; T108-R148 VanDerWaalsContact O-O 3.13Å; T108-R148 PolarHBondContact OG1-O 3.11Å; R146-R148 PolarHBondContact O-N 2.66Å; R146-R148 VanDerWaalsContact O-N 3.09Å; R148-E150 VanDerWaalsContact C-N 3.3Å; R148-E150 PolarHBondContact O-N 3.27Å
149K64.2Low65.6Low172 Ų17297.5 Ų97.575%0.74846%0.459SS*.  trans-55.9105164.8-174.9179.8-175.7-175.20105.9E147 H151E147-K149 PolarHBondContact O-N 2.97Å; K149-H151 PolarHBondContact O-N 2.9Å
150E50.2Low63.4Low120 Ų120102.8 Ų102.856%0.56147%0.472SS*.  trans-59109.3177.8-167.5-166.9142.100105.7R148 R152R148-E150 VanDerWaalsContact C-N 3.3Å; R148-E150 PolarHBondContact O-N 3.27Å; E150-R152 HydrophobicContact CG-CB 4.12Å; E150-R152 PolarHBondContact O-N 2.84Å; E150-R152 WeakPolarHBondContact OE1-CB 3.45Å
151H39.8Very low60.9Low164 Ų164107.4 Ų107.476%0.75950%0.502SS*.  trans-78.551.6168.9-150.6-52.4000108.6K149 R153K149-H151 PolarHBondContact O-N 2.9Å; H151-R153 PolarHBondContact O-N 2.87Å
152R40Very low58.3Low152 Ų152112.8 Ų112.857%0.57454%0.537SS*.  trans-40.7115.2159.7-165.2177.2-161.2-118.19.9104.4E150 D154E150-R152 HydrophobicContact CG-CB 4.12Å; E150-R152 PolarHBondContact O-N 2.84Å; E150-R152 WeakPolarHBondContact OE1-CB 3.45Å; R152-D154 WeakPolarHBondContact CD-OD1 3.45Å; R152-D154 IonicContact CZ-OD1 2.69Å; R152-D154 IonicContact NE-OD1 2.71Å; R152-D154 IonicContact NH1-OD1 3.59Å; R152-D154 PolarHBondContact NH1-OD1 3.1Å; R152-D154 PolarHBondContact O-N 3.42Å
153R43.6Very low55.6Low210 Ų210117.6 Ų117.679%0.79256%0.561SS**  trans-75.772.7170.6-71.5-175-179.2177.61.9106H151 F155H151-R153 PolarHBondContact O-N 2.87Å; R153-F155 HydrophobicContact CB-CD2 4.37Å; R153-F155 PolarHBondContact O-N 3.01Å
154D34.4Very low53Low90 Ų90122.1 Ų122.148%0.48160%0.598SS.*  trans-59.975.2151.9-66.7-49.3000106.7R152 P156R152-D154 WeakPolarHBondContact CD-OD1 3.45Å; R152-D154 IonicContact CZ-OD1 2.69Å; R152-D154 IonicContact NE-OD1 2.71Å; R152-D154 IonicContact NH1-OD1 3.59Å; R152-D154 PolarHBondContact NH1-OD1 3.1Å; R152-D154 PolarHBondContact O-N 3.42Å; D154-P156 VanDerWaalsContact O-CD 3.28Å; D154-P156 WeakPolarHBondContact O-CD 3.38Å; D154-P156 VanDerWaalsContact O-N 3.13Å
155F35Very low50.3Low122 Ų122129.5 Ų129.554%0.53563%0.631SS.*  trans-40116.9143.4-82.4-89.1000105.5R153 L157 W230R153-F155 HydrophobicContact CB-CD2 4.37Å; R153-F155 PolarHBondContact O-N 3.01Å; F155-L157 VanDerWaalsContact C-N 3.35Å; F155-L157 PolarHBondContact O-N 3.25Å; F155-W230 HydrophobicContact CE1-CZ2 4.32Å; F155-W230 HydrophobicContact CZ-CZ2 4.18Å
156P40.8Very low47.8Very low101 Ų101132 Ų13266%0.65666%0.657SS**  trans-61.889.5-163.8-30.938.1000114.4D154 H158 A159D154-P156 VanDerWaalsContact O-CD 3.28Å; D154-P156 WeakPolarHBondContact O-CD 3.38Å; D154-P156 VanDerWaalsContact O-N 3.13Å; P156-H158 PolarHBondContact O-N 3.09Å; P156-H158 VanDerWaalsContact O-N 3.11Å; P156-A159 WeakPolarHBondContact O-CB 3.21Å; P156-A159 PolarHBondContact O-N 3.34Å
157L44.5Very low45.9Very low132 Ų132134.1 Ų134.169%0.69168%0.681SS**G310 helixtrans-64.4-12.5171.6-64.6-180000111.6F155 A159 F160F155-L157 VanDerWaalsContact C-N 3.35Å; F155-L157 PolarHBondContact O-N 3.25Å; L157-A159 PolarHBondContact O-N 3.4Å; L157-A159 VanDerWaalsContact O-N 3.11Å; L157-F160 PolarHBondContact O-N 2.88Å
158H46.6Very low44.2Very low194 Ų194136 Ų13690%0.89870%0.699SS**G310 helixtrans-67.66.9165-74-69.4000115.1P156 F160P156-H158 PolarHBondContact O-N 3.09Å; P156-H158 VanDerWaalsContact O-N 3.11Å; H158-F160 VanDerWaalsContact C-N 3.31Å
159A40.3Very low43Very low75 Ų75133.6 Ų133.662%0.6271%0.705SS**G310 helixtrans-77.9-13.3159.600000113.4P156 L157P156-A159 WeakPolarHBondContact O-CB 3.21Å; P156-A159 PolarHBondContact O-N 3.34Å; L157-A159 PolarHBondContact O-N 3.4Å; L157-A159 VanDerWaalsContact O-N 3.11Å
160F34.2Very low42.5Very low171 Ų171129.9 Ų129.975%0.7570%0.698SS**SBendtrans-123110.9178.5-70-80.6000111.3L157 H158L157-F160 PolarHBondContact O-N 2.88Å; H158-F160 VanDerWaalsContact C-N 3.31Å
161P36.9Very low42.4Very low112 Ų112130.1 Ų130.173%0.72771%0.71SS**  trans-68152.4166.830.4-33.8000110.3
162P38.6Very low42.6Very low120 Ų120130.6 Ų130.678%0.77971%0.713SS**  trans-63.4149.517927.4-35.1000111.7A164P162-A164 PolarHBondContact O-N 3.27Å
163F39.1Very low42.9Very low189 Ų189126.4 Ų126.483%0.82972%0.716SS**  trans-6395.4-174.6-72.4-80.3000113.4F165F163-F165 AromaticContact CD1-CD2 3.95Å; F163-F165 HydrophobicContact CD1-CD2 3.95Å; F163-F165 AromaticContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CZ 4.4Å; F163-F165 AromaticContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CZ 4.42Å
164A39Very low43Very low95 Ų95122.8 Ų122.879%0.78572%0.72SS**  trans-118.578.616200000108.8P162 G166P162-A164 PolarHBondContact O-N 3.27Å; A164-G166 PolarHBondContact O-N 3.12Å
165F38.6Very low43.2Very low185 Ų185123.2 Ų123.281%0.81174%0.736SS**  trans-68.988.4177.9-90.8-68.4000111.4F163F163-F165 AromaticContact CD1-CD2 3.95Å; F163-F165 HydrophobicContact CD1-CD2 3.95Å; F163-F165 AromaticContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CZ 4.4Å; F163-F165 AromaticContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CZ 4.42Å
166G42.7Very low43.7Very low52 Ų52126.5 Ų126.554%0.53675%0.753SS.*PPolyproline II helixtrans-67.4148.5147.400000109.9A164A164-G166 PolarHBondContact O-N 3.12Å
167P51.9Low43.7Very low122 Ų122130.5 Ų130.579%0.79277%0.765SS**PPolyproline II helixtrans-64.2141177.527.2-34.2000110.9
168P49.4Very low43.8Very low117 Ų117128.2 Ų128.276%0.7677%0.765SS**PPolyproline II helixtrans-73.8141.9-172.728.9-35.1000112.7
169P52.5Low44Very low110 Ų110124.4 Ų124.471%0.71476%0.757SS**PPolyproline II helixtrans-69.6156.7166.531.1-34.6000111.3
170P54.2Low44.9Very low94 Ų94126.4 Ų126.461%0.6176%0.764SS**PPolyproline II helixtrans-67.4146.2-175.727-34.9000113.1H172P170-H172 PolarHBondContact O-N 3.16Å
171P47.6Very low46.4Very low125 Ų125122.4 Ų122.481%0.81276%0.755SS**  trans-82.6110.2-171.631.5-34.4000112.3
172H45.4Very low48.2Very low175 Ų175119.1 Ų119.181%0.8174%0.737SS**  trans-128.668.4178.1-62.5-7.8000111.3P170P170-H172 PolarHBondContact O-N 3.16Å
173G45.8Very low50.4Low63 Ų63117 Ų11765%0.64972%0.722SS**SBendtrans-174.8145.4174.500000112.3
174P46.3Very low52.5Low134 Ų134108.3 Ų108.387%0.8768%0.684SS**PPolyproline II helixtrans-71.9136.8-179.829.9-34.2000111.2H176P174-H176 PolarHBondContact O-N 3.41Å
175A38.8Very low54.4Low99 Ų99106.9 Ų106.982%0.81867%0.667SS**PPolyproline II helixtrans-69.8122-178.100000111.7M177A175-M177 PolarHBondContact O-N 2.91Å
176H43.9Very low56.5Low192 Ų192106.2 Ų106.289%0.88967%0.672SS**PPolyproline II helixtrans-64.5120.7160.6-121.2-94.8000108P174 A178P174-H176 PolarHBondContact O-N 3.41Å; H176-A178 PolarHBondContact O-N 2.92Å
177M41.9Very low58.6Low185 Ų185104.6 Ų104.691%0.91165%0.652SS**  trans-62.4111.4179.5-78.9-179.4159.200110.5A175A175-M177 PolarHBondContact O-N 2.91Å
178A46.5Very low60.6Low83 Ų83103 Ų10369%0.68664%0.64SS**PPolyproline II helixtrans-60.2142.3154.500000108.4H176H176-A178 PolarHBondContact O-N 2.92Å
179P51Low62.7Low114 Ų11497.5 Ų97.574%0.7460%0.604SS**PPolyproline II helixtrans-59.1139.7174.726.1-33.9000109.4
180P59.5Low64.8Low118 Ų11896 Ų9677%0.76659%0.59SS**PPolyproline II helixtrans-58.8137.5179.724.8-33.7000109.7A182P180-A182 PolarHBondContact O-N 2.77Å
181P64.9Low66.5Low86 Ų8692.2 Ų92.256%0.55857%0.568SS**PPolyproline II helixtrans-61.4133.2-176.426.3-35000110.1V183 V197P181-V183 PolarHBondContact O-N 2.93Å; P181-V197 HydrophobicContact CB-CG1 3.74Å; P181-V197 HydrophobicContact CG-CG1 3.52Å
182A74.6Confident68.6Low43 Ų4389.6 Ų89.636%0.35555%0.552SS.*PPolyproline II helixtrans-60.3121.6-177.500000110.3P180 G198P180-A182 PolarHBondContact O-N 2.77Å; A182-G198 PolarHBondContact O-N 3.31Å
183V84.4Confident70.8Confident77 Ų7789.6 Ų89.647%0.46755%0.552SS.*EExtended strand (participates in β ladder)trans-86.9138.3173.3-172.20000108.1P181 P185 A195 V197P181-V183 PolarHBondContact O-N 2.93Å; V183-P185 VanDerWaalsContact O-CD 3.24Å; V183-P185 WeakPolarHBondContact O-CD 3.11Å; V183-A195 HydrophobicContact CG1-CB 4.47Å; V183-V197 HydrophobicContact CG1-CG2 4.37Å; V183-V197 HydrophobicContact CG2-CG1 4.48Å; V183-V197 HydrophobicContact CG2-CG2 4.18Å
184H82.8Confident72.9Confident6 Ų688 Ų883%0.02854%0.536CS..EExtended strand (participates in β ladder)trans-85.1105.5169.5-75.8-105.2000109.1V187 V196 G198 I229 H231H184-V187 HydrophobicContact CB-CB 4.01Å; H184-V187 HydrophobicContact CB-CG2 3.99Å; H184-V196 HydrophobicContact CB-CB 4.25Å; H184-V196 HydrophobicContact CB-CG1 4.41Å; H184-V196 PolarHBondContact N-O 3.45Å; H184-G198 PolarHBondContact CD2-O 3.42Å; H184-G198 VanDerWaalsContact CD2-O 3.25Å; H184-G198 PolarHBondContact NE2-O 3.38Å; H184-I229 PolarHBondContact NE2-O 3.13Å; H184-H231 PolarHBondContact CE1-O 3.12Å; H184-H231 VanDerWaalsContact CE1-O 3.24Å
185P79.1Confident74.9Confident65 Ų6584.7 Ų84.742%0.42252%0.52SS..EExtended strand (participates in β ladder)trans-66.6146.6177.730.8-34.6000109.6V183 V187V183-P185 VanDerWaalsContact O-CD 3.24Å; V183-P185 WeakPolarHBondContact O-CD 3.11Å; P185-V187 PolarHBondContact O-N 3.35Å
186N82.9Confident77.3Confident170 Ų17080 Ų8091%0.90948%0.481SS*.EExtended strand (participates in β ladder)trans59.527.4179.6-48.1-15.3000114
187V87.1Confident79.4Confident19 Ų1973.7 Ų73.712%0.11546%0.456CS..EExtended strand (participates in β ladder)trans-130115.1173.5-171.70000110.3H184 P185 V196 R200 D210H184-V187 HydrophobicContact CB-CB 4.01Å; H184-V187 HydrophobicContact CB-CG2 3.99Å; P185-V187 PolarHBondContact O-N 3.35Å; V187-V196 HydrophobicContact CB-CG2 4.49Å; V187-V196 HydrophobicContact CG1-CB 4.33Å; V187-V196 HydrophobicContact CG1-CG2 3.87Å; V187-V196 PolarHBondContact O-N 2.66Å; V187-R200 HydrophobicContact CG1-CG 4.33Å; V187-R200 VanDerWaalsContact CG2-NH1 3.34Å; V187-D210 HydrophobicContact CG1-CB 4.11Å
188T93.5Very high81.6Confident89 Ų8966 Ų6655%0.54642%0.423SS..EExtended strand (participates in β ladder)trans-89.8155.3168420000110.8G194T188-G194 CarbonylContact C-O 3.52Å
189C94.8Very high83.5Confident0 Ų063 Ų630%040%0.397CS..  trans-97.5112.8173.6169.20000110.3G191 C192 E193 G194 V196 D210 C212C189-G191 PolarHBondContact O-N 3.12Å; C189-G191 VanDerWaalsContact O-N 3.07Å; C189-C192 CarbonylContact O-C 3.5Å; C189-C192 PolarHBondContact O-N 2.9Å; C189-E193 WeakPolarHBondContact O-CA 3.21Å; C189-E193 PolarHBondContact O-N 2.9Å; C189-G194 WeakPolarHBondContact CB-O 3.44Å; C189-G194 PolarHBondContact N-O 2.84Å; C189-V196 HydrophobicContact CB-CG2 3.89Å; C189-D210 CarbonylContact C-O 3.59Å; C189-D210 VanDerWaalsContact CA-O 3.27Å; C189-D210 WeakPolarHBondContact CA-O 3.19Å; C189-C212 HydrophobicContact CB-CB 4.07Å; C189-C212 PolarHBondContact SG-N 3.35Å
190D95.1Very high85.5Confident78 Ų7860 Ų6042%0.41737%0.371SS..THydrogen-bonded Turntrans-58.6-28.7-179.5-60.1-77.5000113.2C192 Y209 D210D190-C192 VanDerWaalsContact C-N 3.31Å; D190-C192 PolarHBondContact O-N 2.99Å; D190-Y209 HydrophobicContact CB-CD2 3.9Å; D190-Y209 HydrophobicContact CB-CE1 4.49Å; D190-Y209 HydrophobicContact CB-CE2 3.53Å; D190-Y209 WeakPolarHBondContact OD2-CA 3.48Å; D190-D210 PolarHBondContact N-O 3.08Å; D190-D210 PolarHBondContact OD2-N 3.35Å
191G91.3Very high87.1Confident16 Ų1655.8 Ų55.817%0.16534%0.341CS..THydrogen-bonded Turntrans-73.6-9.817700000116.2C189 C215 K220C189-G191 PolarHBondContact O-N 3.12Å; C189-G191 VanDerWaalsContact O-N 3.07Å; G191-C215 PolarHBondContact O-SG 3.32Å; G191-C215 VanDerWaalsContact O-SG 3.41Å; G191-K220 PolarHBondContact O-NZ 3.01Å
192C91.7Very high88.5Confident69 Ų6953.9 Ų53.947%0.46632%0.324SS..THydrogen-bonded Turntrans-156.79.2178.668.30000115.9C189 D190 G194C189-C192 CarbonylContact O-C 3.5Å; C189-C192 PolarHBondContact O-N 2.9Å; D190-C192 VanDerWaalsContact C-N 3.31Å; D190-C192 PolarHBondContact O-N 2.99Å; C192-G194 PolarHBondContact O-N 2.89Å
193E91.6Very high89.4Confident175 Ų17552.2 Ų52.282%0.81831%0.309SS*.SBendtrans57.5-0.8-178.9-62.2170.2-157.100115.9C189C189-E193 WeakPolarHBondContact O-CA 3.21Å; C189-E193 PolarHBondContact O-N 2.9Å
194G89.2Confident89.7Confident29 Ų2951.9 Ų51.930%0.29931%0.31SS..SBendtrans-85.7165.3-179.200000114.6T188 C189 C192T188-G194 CarbonylContact C-O 3.52Å; C189-G194 WeakPolarHBondContact CB-O 3.44Å; C189-G194 PolarHBondContact N-O 2.84Å; C192-G194 PolarHBondContact O-N 2.89Å
195A88.7Confident90Very high65 Ų6556 Ų5654%0.53734%0.335SS..EExtended strand (participates in β ladder)trans-63.5140.717500000112V183 V197V183-A195 HydrophobicContact CG1-CB 4.47Å; A195-V197 PolarHBondContact O-N 3.45Å
196V89.7Confident90.4Very high0 Ų054.6 Ų54.60%033%0.327CS..EExtended strand (participates in β ladder)trans-80.2115.4179.1176.90000110.9H184 V187 C189 R200 C212H184-V196 HydrophobicContact CB-CB 4.25Å; H184-V196 HydrophobicContact CB-CG1 4.41Å; H184-V196 PolarHBondContact N-O 3.45Å; V187-V196 HydrophobicContact CB-CG2 4.49Å; V187-V196 HydrophobicContact CG1-CB 4.33Å; V187-V196 HydrophobicContact CG1-CG2 3.87Å; V187-V196 PolarHBondContact O-N 2.66Å; C189-V196 HydrophobicContact CB-CG2 3.89Å; V196-R200 HydrophobicContact CG1-CB 3.66Å; V196-R200 HydrophobicContact CG1-CG 4.27Å; V196-C212 HydrophobicContact CG1-CB 4.41Å; V196-C212 HydrophobicContact CG2-CB 4.36Å
197V88.3Confident90.6Very high61 Ų6152.2 Ų52.237%0.3732%0.321SS..EExtended strand (participates in β ladder)trans-117.4128.2-177.6-176.60000110.1P181 V183 A195P181-V197 HydrophobicContact CB-CG1 3.74Å; P181-V197 HydrophobicContact CG-CG1 3.52Å; V183-V197 HydrophobicContact CG1-CG2 4.37Å; V183-V197 HydrophobicContact CG2-CG1 4.48Å; V183-V197 HydrophobicContact CG2-CG2 4.18Å; A195-V197 PolarHBondContact O-N 3.45Å
198G86.2Confident90.6Very high22 Ų2257.4 Ų57.423%0.22735%0.348CS..SBendtrans76.9-147.4-167.100000111.1A182 H184 R200A182-G198 PolarHBondContact O-N 3.31Å; H184-G198 PolarHBondContact CD2-O 3.42Å; H184-G198 VanDerWaalsContact CD2-O 3.25Å; H184-G198 PolarHBondContact NE2-O 3.38Å; G198-R200 PolarHBondContact O-N 3.45Å
199T88.3Confident90.6Very high22 Ų2255.8 Ų55.814%0.13533%0.332CS..SBendtrans-63123.6-177.6-48.30000112.2F201 P228 W230T199-F201 HydrophobicContact CG2-CD2 4.26Å; T199-F201 HydrophobicContact CG2-CE1 4.44Å; T199-F201 HydrophobicContact CG2-CE2 3.79Å; T199-F201 HydrophobicContact CG2-CZ 3.91Å; T199-F201 WeakPolarHBondContact O-CD2 3.25Å; T199-P228 HydrophobicContact CG2-CB 3.69Å; T199-W230 HydrophobicContact CG2-CD2 4.1Å; T199-W230 HydrophobicContact CG2-CE3 4.16Å; T199-W230 HydrophobicContact CG2-CZ3 4.49Å; T199-W230 VanDerWaalsContact OG1-CE3 3.24Å; T199-W230 WeakPolarHBondContact OG1-CZ3 3.47Å
200R92.8Very high90.6Very high51 Ų5156 Ų5619%0.19233%0.333CS..EExtended strand (participates in β ladder)trans-81.4134.2166.9172-174.4178.5173.111.2109.6V187 V196 G198 D210 P228 I229V187-R200 HydrophobicContact CG1-CG 4.33Å; V187-R200 VanDerWaalsContact CG2-NH1 3.34Å; V196-R200 HydrophobicContact CG1-CB 3.66Å; V196-R200 HydrophobicContact CG1-CG 4.27Å; G198-R200 PolarHBondContact O-N 3.45Å; R200-D210 WeakPolarHBondContact CG-OD1 3.3Å; R200-D210 IonicContact CZ-OD1 3.65Å; R200-D210 IonicContact CZ-OD2 3.78Å; R200-D210 IonicContact NE-OD1 3.29Å; R200-D210 PolarHBondContact NE-OD1 3.44Å; R200-D210 IonicContact NE-OD2 3.76Å; R200-D210 VanDerWaalsContact NH2-CG 3.27Å; R200-D210 IonicContact NH2-OD1 2.74Å; R200-D210 PolarHBondContact NH2-OD1 2.89Å; R200-D210 IonicContact NH2-OD2 2.71Å; R200-D210 PolarHBondContact NH2-OD2 3.15Å; R200-P228 CarbonylContact O-C 3.56Å; R200-I229 HydrophobicContact CB-CB 4.2Å; R200-I229 HydrophobicContact CG-CD1 4.39Å; R200-I229 PolarHBondContact N-O 3.35Å; R200-I229 PolarHBondContact O-N 2.74Å
201F93.3Very high90.6Very high29 Ų2952.3 Ų52.313%0.12731%0.314CS..EExtended strand (participates in β ladder)trans-115101.2177.5-72.3-90.8000109.7T199 D210 L211 Q216 L226 L227 P228T199-F201 HydrophobicContact CG2-CD2 4.26Å; T199-F201 HydrophobicContact CG2-CE1 4.44Å; T199-F201 HydrophobicContact CG2-CE2 3.79Å; T199-F201 HydrophobicContact CG2-CZ 3.91Å; T199-F201 WeakPolarHBondContact O-CD2 3.25Å; F201-D210 WeakPolarHBondContact O-CA 3.23Å; F201-L211 HydrophobicContact CB-CB 4.22Å; F201-L211 PolarHBondContact N-O 3.36Å; F201-L211 PolarHBondContact O-N 3.48Å; F201-Q216 HydrophobicContact CB-CB 4.45Å; F201-Q216 HydrophobicContact CB-CG 4.45Å; F201-Q216 HydrophobicContact CD1-CB 4.47Å; F201-Q216 HydrophobicContact CD1-CG 3.81Å; F201-Q216 HydrophobicContact CD2-CB 3.9Å; F201-Q216 HydrophobicContact CD2-CG 4.11Å; F201-Q216 HydrophobicContact CE1-CG 3.96Å; F201-Q216 HydrophobicContact CE2-CB 4.22Å; F201-Q216 HydrophobicContact CE2-CG 4.26Å; F201-Q216 HydrophobicContact CG-CB 4.03Å; F201-Q216 HydrophobicContact CG-CG 3.87Å; F201-Q216 HydrophobicContact CZ-CG 4.18Å; F201-L226 HydrophobicContact CB-CB 4.29Å; F201-L226 HydrophobicContact CB-CD2 4.37Å; F201-L226 HydrophobicContact CD1-CB 4.35Å; F201-L227 WeakPolarHBondContact CA-O 3.39Å; F201-P228 HydrophobicContact CD1-CB 4.14Å; F201-P228 HydrophobicContact CE1-CB 3.86Å; F201-P228 HydrophobicContact CZ-CB 4.47Å
202K92.6Very high90.8Very high46 Ų4652.1 Ų52.120%0.231%0.31CS..EExtended strand (participates in β ladder)trans-91.7134.7-179.6-168.9161.5-175.661.60111D208 D210 L226 L227 I229K202-D208 IonicContact NZ-OD1 3.71Å; K202-D208 PolarHBondContact NZ-OD1 3.36Å; K202-D210 VanDerWaalsContact CA-OD1 3.32Å; K202-D210 WeakPolarHBondContact CA-OD1 3.43Å; K202-D210 WeakPolarHBondContact CB-OD1 3.46Å; K202-D210 WeakPolarHBondContact CG-OD1 3.44Å; K202-D210 IonicContact NZ-OD2 3.21Å; K202-D210 PolarHBondContact NZ-OD2 2.94Å; K202-L226 CarbonylContact O-C 3.59Å; K202-L227 PolarHBondContact N-O 2.98Å; K202-L227 PolarHBondContact O-N 2.93Å; K202-I229 HydrophobicContact CB-CD1 4.03Å
203C93.4Very high90.7Very high8 Ų851.5 Ų51.55%0.05431%0.306CS..EExtended strand (participates in β ladder)trans-67.2139.2172-173.70000111.3V205 C206 Y209 H221 H224 L226C203-V205 PolarHBondContact SG-N 2.71Å; C203-C206 HydrophobicContact CB-CB 4.1Å; C203-C206 PolarHBondContact SG-N 2.86Å; C203-Y209 HydrophobicContact CB-CD1 4.31Å; C203-Y209 PolarHBondContact N-O 3.04Å; C203-H221 PolarHBondContact SG-NE2 3.42Å; C203-H224 WeakPolarHBondContact SG-CB 2.89Å; C203-L226 HydrophobicContact CB-CD2 4.3Å
204S90.9Very high90.7Very high69 Ų6945.8 Ų45.848%0.48329%0.288SS..SBendtrans-83.4-9.8174710000114.3A225S204-A225 PolarHBondContact N-O 3.24Å; S204-A225 PolarHBondContact OG-O 3.19Å
205V89.6Confident90.9Very high92 Ų9244.5 Ų44.556%0.55828%0.275SS*.SBendtrans-115.8-46.5-173.6-176.50000112C203 H224C203-V205 PolarHBondContact SG-N 2.71Å; V205-H224 HydrophobicContact CB-CB 4.08Å; V205-H224 HydrophobicContact CG2-CB 4Å
206C88.4Confident91.1Very high36 Ų3644.9 Ų44.924%0.24327%0.266CS..SBendtrans-79.8134.8-179.2-70.30000111.8C203 D208 Y209 H221 H224C203-C206 HydrophobicContact CB-CB 4.1Å; C203-C206 PolarHBondContact SG-N 2.86Å; C206-D208 PolarHBondContact O-N 2.76Å; C206-Y209 HydrophobicContact CB-CG 4.43Å; C206-H221 PolarHBondContact SG-CE1 2.88Å; C206-H224 VanDerWaalsContact SG-CE1 3.52Å; C206-H224 PolarHBondContact SG-ND1 3.18Å
207P87.2Confident91.1Very high120 Ų12048.8 Ų48.878%0.77930%0.298SS*.THydrogen-bonded Turntrans-63.1132.6171.628.8-34.1000109.4Y209P207-Y209 PolarHBondContact O-N 3.33Å
208D87.3Confident91.2Very high128 Ų12852 Ų5268%0.68431%0.309SS*.THydrogen-bonded Turntrans51.315.3173.1-61.8-38.1000119.7K202 C206K202-D208 IonicContact NZ-OD1 3.71Å; K202-D208 PolarHBondContact NZ-OD1 3.36Å; C206-D208 PolarHBondContact O-N 2.76Å
209Y93.4Very high91.3Very high56 Ų5652.9 Ų52.922%0.2232%0.318CS..  trans-79.5122.4172.3-159.4-86.2000112.3D190 C203 C206 P207 L211 H221D190-Y209 HydrophobicContact CB-CD2 3.9Å; D190-Y209 HydrophobicContact CB-CE1 4.49Å; D190-Y209 HydrophobicContact CB-CE2 3.53Å; D190-Y209 WeakPolarHBondContact OD2-CA 3.48Å; C203-Y209 HydrophobicContact CB-CD1 4.31Å; C203-Y209 PolarHBondContact N-O 3.04Å; C206-Y209 HydrophobicContact CB-CG 4.43Å; P207-Y209 PolarHBondContact O-N 3.33Å; Y209-L211 HydrophobicContact CD1-CG 4.38Å; Y209-L211 HydrophobicContact CE1-CD1 4.03Å; Y209-L211 HydrophobicContact CE1-CD2 3.65Å; Y209-L211 HydrophobicContact CE1-CG 3.68Å; Y209-H221 HydrophobicContact CD1-CB 4.16Å; Y209-H221 AromaticContact CD1-CD2 3.52Å; Y209-H221 AromaticContact CD1-CG 3.75Å; Y209-H221 AromaticContact CD1-NE2 3.98Å; Y209-H221 HydrophobicContact CE1-CB 3.33Å; Y209-H221 AromaticContact CE1-CD2 3.63Å; Y209-H221 AromaticContact CE1-CG 3.37Å; Y209-H221 AromaticContact CZ-CG 3.89Å
210D94.5Very high91.3Very high5 Ų555.3 Ų55.33%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-142.9133-172.4-89.6-75.4000111.7V187 C189 D190 R200 F201 K202V187-D210 HydrophobicContact CG1-CB 4.11Å; C189-D210 CarbonylContact C-O 3.59Å; C189-D210 VanDerWaalsContact CA-O 3.27Å; C189-D210 WeakPolarHBondContact CA-O 3.19Å; D190-D210 PolarHBondContact N-O 3.08Å; D190-D210 PolarHBondContact OD2-N 3.35Å; R200-D210 WeakPolarHBondContact CG-OD1 3.3Å; R200-D210 IonicContact CZ-OD1 3.65Å; R200-D210 IonicContact CZ-OD2 3.78Å; R200-D210 IonicContact NE-OD1 3.29Å; R200-D210 PolarHBondContact NE-OD1 3.44Å; R200-D210 IonicContact NE-OD2 3.76Å; R200-D210 VanDerWaalsContact NH2-CG 3.27Å; R200-D210 IonicContact NH2-OD1 2.74Å; R200-D210 PolarHBondContact NH2-OD1 2.89Å; R200-D210 IonicContact NH2-OD2 2.71Å; R200-D210 PolarHBondContact NH2-OD2 3.15Å; F201-D210 WeakPolarHBondContact O-CA 3.23Å; K202-D210 VanDerWaalsContact CA-OD1 3.32Å; K202-D210 WeakPolarHBondContact CA-OD1 3.43Å; K202-D210 WeakPolarHBondContact CB-OD1 3.46Å; K202-D210 WeakPolarHBondContact CG-OD1 3.44Å; K202-D210 IonicContact NZ-OD2 3.21Å; K202-D210 PolarHBondContact NZ-OD2 2.94Å
211L94.6Very high91Very high0 Ų053.6 Ų53.60%032%0.321CS..EExtended strand (participates in β ladder)trans-119.6148-179.5-64.4-175.6000113.1F201 Y209 C215 K220 H221 L226F201-L211 HydrophobicContact CB-CB 4.22Å; F201-L211 PolarHBondContact N-O 3.36Å; F201-L211 PolarHBondContact O-N 3.48Å; Y209-L211 HydrophobicContact CD1-CG 4.38Å; Y209-L211 HydrophobicContact CE1-CD1 4.03Å; Y209-L211 HydrophobicContact CE1-CD2 3.65Å; Y209-L211 HydrophobicContact CE1-CG 3.68Å; L211-C215 HydrophobicContact CB-CB 4.3Å; L211-C215 HydrophobicContact CD1-CB 4.45Å; L211-C215 HydrophobicContact CD2-CB 3.96Å; L211-C215 HydrophobicContact CG-CB 4.48Å; L211-K220 HydrophobicContact CD1-CB 4.1Å; L211-K220 WeakPolarHBondContact CD1-O 3.47Å; L211-H221 HydrophobicContact CD1-CB 4.11Å; L211-L226 HydrophobicContact CD1-CD1 4.09Å; L211-L226 HydrophobicContact CD1-CD2 4.43Å
212C94.3Very high90.7Very high12 Ų1257.6 Ų57.68%0.08135%0.348CS..EExtended strand (participates in β ladder)trans-80.1160.4161.773.10000110.9C189 V196 A214 C215 Q216C189-C212 HydrophobicContact CB-CB 4.07Å; C189-C212 PolarHBondContact SG-N 3.35Å; V196-C212 HydrophobicContact CG1-CB 4.41Å; V196-C212 HydrophobicContact CG2-CB 4.36Å; C212-A214 PolarHBondContact O-N 3.03Å; C212-C215 PolarHBondContact O-N 3.47Å; C212-Q216 PolarHBondContact O-N 3.01Å
213S90.8Very high90.5Very high55 Ų5561.3 Ų61.339%0.38537%0.365SS..Hα-helixtrans-51.8-37.2177.4550000114.2A217S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.98Å
214A91.6Very high90.2Very high55 Ų5564.2 Ų64.246%0.45538%0.378SS..Hα-helixtrans-67.1-38.9177.500000112.7C212 Q218C212-A214 PolarHBondContact O-N 3.03Å; A214-Q218 WeakPolarHBondContact O-CB 3.41Å; A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 3.09Å; A214-Q218 VanDerWaalsContact O-N 3.08Å
215C92.7Very high90Very high2 Ų263.9 Ų63.91%0.01438%0.379CS..Hα-helixtrans-75.3-37.1177.9-74.20000112.3G191 L211 C212 Q218 G219 K220G191-C215 PolarHBondContact O-SG 3.32Å; G191-C215 VanDerWaalsContact O-SG 3.41Å; L211-C215 HydrophobicContact CB-CB 4.3Å; L211-C215 HydrophobicContact CD1-CB 4.45Å; L211-C215 HydrophobicContact CD2-CB 3.96Å; L211-C215 HydrophobicContact CG-CB 4.48Å; C212-C215 PolarHBondContact O-N 3.47Å; C215-Q218 WeakPolarHBondContact O-CB 3.18Å; C215-Q218 PolarHBondContact O-N 3.45Å; C215-G219 PolarHBondContact O-N 3.3Å; C215-K220 HydrophobicContact CB-CD 3.85Å; C215-K220 WeakPolarHBondContact O-CB 3.18Å; C215-K220 PolarHBondContact O-N 2.94Å
216Q92.9Very high90.1Very high74 Ų7461.4 Ų61.435%0.34636%0.363SS..Hα-helixtrans-64.3-43.2172.6-178.4-82.8-36.700111.3F201 C212 Q218 G219 L226F201-Q216 HydrophobicContact CB-CB 4.45Å; F201-Q216 HydrophobicContact CB-CG 4.45Å; F201-Q216 HydrophobicContact CD1-CB 4.47Å; F201-Q216 HydrophobicContact CD1-CG 3.81Å; F201-Q216 HydrophobicContact CD2-CB 3.9Å; F201-Q216 HydrophobicContact CD2-CG 4.11Å; F201-Q216 HydrophobicContact CE1-CG 3.96Å; F201-Q216 HydrophobicContact CE2-CB 4.22Å; F201-Q216 HydrophobicContact CE2-CG 4.26Å; F201-Q216 HydrophobicContact CG-CB 4.03Å; F201-Q216 HydrophobicContact CG-CG 3.87Å; F201-Q216 HydrophobicContact CZ-CG 4.18Å; C212-Q216 PolarHBondContact O-N 3.01Å; Q216-Q218 VanDerWaalsContact C-N 3.26Å; Q216-Q218 PolarHBondContact O-N 3.12Å; Q216-G219 PolarHBondContact O-N 3.49Å; Q216-L226 HydrophobicContact CG-CD1 3.99Å
217A89.2Confident90.2Very high82 Ų8264.3 Ų64.368%0.67838%0.376SS*.Hα-helixtrans-68.2-22.2175.100000113.7S213 G219S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.98Å; A217-G219 PolarHBondContact O-N 3.28Å
218Q90.9Very high90.3Very high128 Ų12861.4 Ų61.460%0.59836%0.357SS*.THydrogen-bonded Turntrans-77.5-2.2170.3-77.7168.21.600113.5A214 C215 Q216 K220A214-Q218 WeakPolarHBondContact O-CB 3.41Å; A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 3.09Å; A214-Q218 VanDerWaalsContact O-N 3.08Å; C215-Q218 WeakPolarHBondContact O-CB 3.18Å; C215-Q218 PolarHBondContact O-N 3.45Å; Q216-Q218 VanDerWaalsContact C-N 3.26Å; Q216-Q218 PolarHBondContact O-N 3.12Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-K220 HydrophobicContact CB-CG 4.45Å; Q218-K220 VanDerWaalsContact OE1-CE 3.29Å
219G88.9Confident90.3Very high40 Ų4057.5 Ų57.541%0.41234%0.335SS..THydrogen-bonded Turntrans69.927.8-177.500000113.6C215 Q216 A217 T222C215-G219 PolarHBondContact O-N 3.3Å; Q216-G219 PolarHBondContact O-N 3.49Å; A217-G219 PolarHBondContact O-N 3.28Å; G219-T222 WeakPolarHBondContact O-CG2 3.41Å
220K87.4Confident89.6Confident73 Ų7360.6 Ų60.632%0.31735%0.347SS..  trans-74.7137168.7-67171175.9163.30108.9G191 L211 C215 Q218G191-K220 PolarHBondContact O-NZ 3.01Å; L211-K220 HydrophobicContact CD1-CB 4.1Å; L211-K220 WeakPolarHBondContact CD1-O 3.47Å; C215-K220 HydrophobicContact CB-CD 3.85Å; C215-K220 WeakPolarHBondContact O-CB 3.18Å; C215-K220 PolarHBondContact O-N 2.94Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-K220 HydrophobicContact CB-CG 4.45Å; Q218-K220 VanDerWaalsContact OE1-CE 3.29Å
221H86Confident88.7Confident16 Ų1664.9 Ų64.97%0.07437%0.366CS..SBendtrans56.858.6179.3-156.563.1000114.6C203 C206 Y209 L211 E223 H224C203-H221 PolarHBondContact SG-NE2 3.42Å; C206-H221 PolarHBondContact SG-CE1 2.88Å; Y209-H221 HydrophobicContact CD1-CB 4.16Å; Y209-H221 AromaticContact CD1-CD2 3.52Å; Y209-H221 AromaticContact CD1-CG 3.75Å; Y209-H221 AromaticContact CD1-NE2 3.98Å; Y209-H221 HydrophobicContact CE1-CB 3.33Å; Y209-H221 AromaticContact CE1-CD2 3.63Å; Y209-H221 AromaticContact CE1-CG 3.37Å; Y209-H221 AromaticContact CZ-CG 3.89Å; L211-H221 HydrophobicContact CD1-CB 4.11Å; H221-E223 VanDerWaalsContact C-OE2 3.29Å; H221-E223 VanDerWaalsContact CA-OE2 3.24Å; H221-E223 WeakPolarHBondContact CA-OE2 3.39Å; H221-E223 IonicContact CE1-OE1 3.28Å; H221-E223 PolarHBondContact CE1-OE1 3.18Å; H221-E223 VanDerWaalsContact CE1-OE1 3.29Å; H221-E223 IonicContact CG-OE1 3.45Å; H221-E223 IonicContact ND1-OE1 2.66Å; H221-E223 PolarHBondContact ND1-OE1 2.86Å; H221-E223 IonicContact ND1-OE2 2.84Å; H221-H224 AromaticContact CE1-ND1 3.32Å; H221-H224 PolarHBondContact CE1-ND1 2.96Å; H221-H224 VanDerWaalsContact CE1-ND1 3.32Å; H221-H224 AromaticContact NE2-CG 3.93Å; H221-H224 AromaticContact NE2-ND1 3.26Å; H221-H224 PolarHBondContact NE2-ND1 3.32Å
222T87.9Confident87.4Confident113 Ų11366.3 Ų66.369%0.69338%0.376SS*.  trans-86.9-9.117848.10000114.1G219 H224G219-T222 WeakPolarHBondContact O-CG2 3.41Å; T222-H224 VanDerWaalsContact C-N 3.26Å; T222-H224 PolarHBondContact O-N 2.75Å
223E88.8Confident85.8Confident123 Ų12372.6 Ų72.658%0.57541%0.408SS*.SBendtrans-68.5-19.9-179.657.3-90.5-152.100113.9H221H221-E223 VanDerWaalsContact C-OE2 3.29Å; H221-E223 VanDerWaalsContact CA-OE2 3.24Å; H221-E223 WeakPolarHBondContact CA-OE2 3.39Å; H221-E223 IonicContact CE1-OE1 3.28Å; H221-E223 PolarHBondContact CE1-OE1 3.18Å; H221-E223 VanDerWaalsContact CE1-OE1 3.29Å; H221-E223 IonicContact CG-OE1 3.45Å; H221-E223 IonicContact ND1-OE1 2.66Å; H221-E223 PolarHBondContact ND1-OE1 2.86Å; H221-E223 IonicContact ND1-OE2 2.84Å
224H86.4Confident84.1Confident70 Ų7076.5 Ų76.532%0.32442%0.42SS..SBendtrans-134.8160.3-177.4-59137000112.2C203 V205 C206 H221 T222 L226C203-H224 WeakPolarHBondContact SG-CB 2.89Å; V205-H224 HydrophobicContact CB-CB 4.08Å; V205-H224 HydrophobicContact CG2-CB 4Å; C206-H224 VanDerWaalsContact SG-CE1 3.52Å; C206-H224 PolarHBondContact SG-ND1 3.18Å; H221-H224 AromaticContact CE1-ND1 3.32Å; H221-H224 PolarHBondContact CE1-ND1 2.96Å; H221-H224 VanDerWaalsContact CE1-ND1 3.32Å; H221-H224 AromaticContact NE2-CG 3.93Å; H221-H224 AromaticContact NE2-ND1 3.26Å; H221-H224 PolarHBondContact NE2-ND1 3.32Å; T222-H224 VanDerWaalsContact C-N 3.26Å; T222-H224 PolarHBondContact O-N 2.75Å; H224-L226 PolarHBondContact O-N 3.21Å
225A87.6Confident82Confident61 Ų6181.2 Ų81.250%0.50443%0.432SS..PPolyproline II helixtrans-70.8128.5178.400000112S204S204-A225 PolarHBondContact N-O 3.24Å; S204-A225 PolarHBondContact OG-O 3.19Å
226L91.7Very high79.5Confident40 Ų4090.1 Ų90.121%0.20947%0.466CS..EExtended strand (participates in β ladder)trans-103117.1177.7-72.9168.6000110.5F201 K202 C203 L211 Q216 H224F201-L226 HydrophobicContact CB-CB 4.29Å; F201-L226 HydrophobicContact CB-CD2 4.37Å; F201-L226 HydrophobicContact CD1-CB 4.35Å; K202-L226 CarbonylContact O-C 3.59Å; C203-L226 HydrophobicContact CB-CD2 4.3Å; L211-L226 HydrophobicContact CD1-CD1 4.09Å; L211-L226 HydrophobicContact CD1-CD2 4.43Å; Q216-L226 HydrophobicContact CG-CD1 3.99Å; H224-L226 PolarHBondContact O-N 3.21Å
227L89.9Confident76.9Confident98 Ų9896 Ų9651%0.51349%0.49SS..EExtended strand (participates in β ladder)trans-90.2121.7-178.3-62.9176.6000111.2F201 K202 I229F201-L227 WeakPolarHBondContact CA-O 3.39Å; K202-L227 PolarHBondContact N-O 2.98Å; K202-L227 PolarHBondContact O-N 2.93Å; L227-I229 PolarHBondContact O-N 2.99Å
228P90.3Very high74.5Confident59 Ų5996.7 Ų96.738%0.38349%0.488SS..EExtended strand (participates in β ladder)trans-81.4117.7-178.630.8-33.7000112.5T199 R200 F201 W230T199-P228 HydrophobicContact CG2-CB 3.69Å; R200-P228 CarbonylContact O-C 3.56Å; F201-P228 HydrophobicContact CD1-CB 4.14Å; F201-P228 HydrophobicContact CE1-CB 3.86Å; F201-P228 HydrophobicContact CZ-CB 4.47Å; P228-W230 HydrophobicContact CB-CZ2 4.05Å; P228-W230 HydrophobicContact CG-CZ2 4.31Å; P228-W230 PolarHBondContact O-NE1 2.92Å
229I86.8Confident72.5Confident45 Ų45102.5 Ų102.523%0.23150%0.504CS..EExtended strand (participates in β ladder)trans-106.9109.5175.5-51.3171.1000107.5H184 R200 K202 L227H184-I229 PolarHBondContact NE2-O 3.13Å; R200-I229 HydrophobicContact CB-CB 4.2Å; R200-I229 HydrophobicContact CG-CD1 4.39Å; R200-I229 PolarHBondContact N-O 3.35Å; R200-I229 PolarHBondContact O-N 2.74Å; K202-I229 HydrophobicContact CB-CD1 4.03Å; L227-I229 PolarHBondContact O-N 2.99Å
230W78.1Confident70.5Confident121 Ų121103.6 Ų103.646%0.45852%0.516SS..  trans-87.2-15.6-166.1-58.283.6000114.8F155 T199 P228F155-W230 HydrophobicContact CE1-CZ2 4.32Å; F155-W230 HydrophobicContact CZ-CZ2 4.18Å; T199-W230 HydrophobicContact CG2-CD2 4.1Å; T199-W230 HydrophobicContact CG2-CE3 4.16Å; T199-W230 HydrophobicContact CG2-CZ3 4.49Å; T199-W230 VanDerWaalsContact OG1-CE3 3.24Å; T199-W230 WeakPolarHBondContact OG1-CZ3 3.47Å; P228-W230 HydrophobicContact CB-CZ2 4.05Å; P228-W230 HydrophobicContact CG-CZ2 4.31Å; P228-W230 PolarHBondContact O-NE1 2.92Å
231H74.9Confident68.7Low96 Ų96109.1 Ų109.144%0.44454%0.54SS..SBendtrans-140.4143.7-174.2-55.8-32.9000110.3H184 L233 W236H184-H231 PolarHBondContact CE1-O 3.12Å; H184-H231 VanDerWaalsContact CE1-O 3.24Å; H231-L233 PolarHBondContact O-N 2.73Å; H231-W236 AromaticContact CD2-CZ3 3.74Å; H231-W236 AromaticContact NE2-CZ3 3.92Å
232P67.4Low66.6Low30 Ų30119.3 Ų119.320%0.19558%0.578CS.*  trans-64.3115.616427.6-33.7000109.3Q234P232-Q234 PolarHBondContact O-N 3.07Å
233L61.5Low64.7Low144 Ų144120 Ų12075%0.75458%0.575SS**THydrogen-bonded Turntrans-70.58.3-172.8-67.7171.7000114.5H231 H235H231-L233 PolarHBondContact O-N 2.73Å; L233-H235 VanDerWaalsContact C-N 3.26Å; L233-H235 PolarHBondContact O-N 3.11Å
234Q55.5Low62.8Low137 Ų137122.8 Ų122.864%0.6459%0.585SS**THydrogen-bonded Turntrans-70.4-11.8-173.6-138.773.921.700114.9P232P232-Q234 PolarHBondContact O-N 3.07Å
235H46.1Very low60.7Low154 Ų154131.1 Ų131.171%0.71361%0.614SS**SBendtrans-136.6-7.4-163.9-56.4-37.5000117L233 F237L233-H235 VanDerWaalsContact C-N 3.26Å; L233-H235 PolarHBondContact O-N 3.11Å; H235-F237 VanDerWaalsContact C-N 3.28Å; H235-F237 PolarHBondContact O-N 3.16Å
236W42Very low58.4Low189 Ų189136.3 Ų136.372%0.71663%0.63SS**  trans-85.557.7-171.7-148.1-60.5000114.5H231H231-W236 AromaticContact CD2-CZ3 3.74Å; H231-W236 AromaticContact NE2-CZ3 3.92Å
237F37.6Very low56.3Low196 Ų196143 Ų14386%0.8665%0.652SS**  trans-130.175.2154.5-93.6-71.7000110.2H235 R239H235-F237 VanDerWaalsContact C-N 3.28Å; H235-F237 PolarHBondContact O-N 3.16Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.93Å
238P38.3Very low54.1Low98 Ų98147.9 Ų147.964%0.63667%0.672SS**  trans-7186.2175.130.3-34.8000110.7G240P238-G240 PolarHBondContact O-N 3.49Å
239R49.5Very low51.4Low249 Ų249151.2 Ų151.294%0.9470%0.695SS**  trans-53.3135.4170.8-54-171-160.6-140.87.6109.7F237F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.93Å
240G47.4Very low48.8Very low64 Ų64152.5 Ų152.566%0.6672%0.72SS**SBendtrans89.138.615800000119.4P238P238-G240 PolarHBondContact O-N 3.49Å
241K49.9Very low46.5Very low189 Ų189155.7 Ų155.782%0.82274%0.742SS**SBendtrans-120.1-13161.9-73.4-174.1-179.4175.60116.5
242W42Very low44.3Very low229 Ų229162.6 Ų162.687%0.86776%0.764SS**G310 helixtrans-54.8-48.5167.2177.7-48.6000111.8K244 R245W242-K244 PolarHBondContact O-N 3Å; W242-R245 PolarHBondContact O-N 3.22Å
243M47.1Very low42.4Very low127 Ų127167.8 Ų167.863%0.62679%0.79SS**G310 helixtrans-76.333.7-170.8-59.6167.779.100115.1R247M243-R247 PolarHBondContact O-NH2 3.13Å
244K48.3Very low41Very low182 Ų182168.9 Ų168.979%0.79179%0.792SS**G310 helixtrans-120.7-10.6169.2-81-165.1172.5-171.20114.9W242W242-K244 PolarHBondContact O-N 3Å
245R43.3Very low40Very low245 Ų245168.6 Ų168.693%0.92580%0.795SS**SBendtrans-99.514.9170.2-168.1159.2168.2154.9-5113.5W242W242-R245 PolarHBondContact O-N 3.22Å
246M38.9Very low39.4Very low171 Ų171167 Ų16784%0.84280%0.798SS**SBendtrans-141.762.1175-119.5164.1-17600110.2
247R47.7Very low38.9Very low180 Ų180164.2 Ų164.268%0.67980%0.797SS**  trans-153.563175.5-147.2-176.1-52.4-142.72.4111.5M243M243-R247 PolarHBondContact O-NH2 3.13Å
248H42.9Very low39.1Very low200 Ų200159 Ų15993%0.92678%0.782SS**SBendtrans-147.531.4170.4-125.1-74.1000113.8
249C34.1Very low38.4Very low130 Ų130161.9 Ų161.988%0.87879%0.787SS**SBendtrans-142.3143.4160.9-168.80000107.5
250G31.5Very low37.2Very low72 Ų72158.3 Ų158.374%0.74278%0.782SS**SBendtrans93.2139.5-17400000114.1
251M30Very low36.2Very low188 Ų188161.2 Ų161.293%0.92678%0.782SS**  trans-94.1169.4-169.2-131.576.577.700114.1
252W28.9Very low35.1Very low241 Ų241160.5 Ų160.591%0.91378%0.781SS**  trans-82.5132.8173.3-62.458.3000111.7
253N28.5Very low34.4Very low139 Ų139156.6 Ų156.674%0.74378%0.778SS**  trans166.8153.1138.9-91-25.2000109.1
254Q31.2Very low33.5Very low167 Ų167159.4 Ų159.478%0.7879%0.789SS**  cis-145.2155.84.1-130150.953.900109.5
255N35.5Very low32.3Very low131 Ų131158.8 Ų158.870%0.70179%0.789SS**  trans-101.8144.3158.4-167.731000106.6N257N255-N257 PolarHBondContact OD1-N 3.02Å; N255-N257 VanDerWaalsContact OD1-N 3.12Å
256P33.5Very low31.5Very low120 Ų120155.7 Ų155.778%0.77979%0.785SS**  -143.813299.235.3-19.3000115.6
257N30.5Very low30.8Very low130 Ų130152.6 Ų152.670%0.69579%0.787SS**  trans-66168.1144.8-144.437.1000108.4N255N255-N257 PolarHBondContact OD1-N 3.02Å; N255-N257 VanDerWaalsContact OD1-N 3.12Å
258P41.3Very low29.7Very low86 Ų86147.9 Ų147.956%0.55879%0.794SS**  cis-150.5-172.624.146.3-26.1000118.2
259E23.8Very low28.9Very low159 Ų159143.5 Ų143.574%0.74379%0.793SS**  trans70.7155.5152.8-77.3166.4131.100117.9
260Q25.5Very low28.5Very low175 Ų175142.3 Ų142.382%0.81879%0.792SS**  cis-143.2172.217.9-145.1157.143.900114.2
261N26.3Very low28.2Very low125 Ų125148.6 Ų148.667%0.66880%0.799SS**  trans-98.5138.9-172.4162.839.9000112.9
262Q26.8Very low28.6Very low173 Ų173145.2 Ų145.281%0.80879%0.791SS**  trans174.8163.9134-97.9154.489.200115.9
263N27Very low28.4Very low147 Ų147138.1 Ų138.179%0.78678%0.784SS**  trans-79.2154.5170.7-46.7-57.9000111.6
264Q27.3Very low28.4Very low187 Ų187135.9 Ų135.987%0.87478%0.784SS**  -179.7177.4112.2-104.2-175.7-41.400114.4
265E24.3Very low28Very low169 Ų169135.3 Ų135.379%0.7979%0.787SS**  trans-86.6166.7-169.2-71.5141.871.500116.1
266Q26.3Very low27.7Very low180 Ų180134.9 Ų134.984%0.84179%0.794SS**  trans103.5116.8135.4-137.6170.635.300120.5
267A24.2Very low27.7Very low105 Ų105134.9 Ų134.987%0.86880%0.797SS**  trans55.3126.1146.500000122.2
268G24.6Very low28.2Very low82 Ų82132.5 Ų132.585%0.84580%0.795SS**  trans168.9138.9164.300000110.7
269A26.1Very low28.1Very low108 Ų108133.3 Ų133.389%0.89380%0.8SS**  trans-123.5129.5-170.100000113.9
270A25.6Very low29.1Very low104 Ų104129.3 Ų129.386%0.8679%0.79SS**  trans-162.9149.7155.700000112.4
271K26Very low30.3Very low205 Ų205124.8 Ų124.889%0.89178%0.782SS**  trans-152.2165.5164.8-111-165.1175.1-174.90106.2
272P38.6Very low31.7Very low117 Ų117120.8 Ų120.876%0.7676%0.764SS**  cis-131.7-150.416.142.5-23.5000113.8
273A24.8Very low33.2Very low92 Ų92117.9 Ų117.976%0.7675%0.751SS**  trans75.8113.6-171.400000113.4
274A26.8Very low34.9Very low91 Ų91114 Ų11475%0.75274%0.739SS**  80.8120.958.300000111.4
275D24Very low36.6Very low156 Ų156108.2 Ų108.283%0.83472%0.719SS**  cis-124.6167.66.9-81.3-47.3000113.9
276S28.5Very low38.8Very low122 Ų122101.2 Ų101.285%0.85369%0.688SS**  trans-152.984.2173.9-66.50000111.4A278S276-A278 PolarHBondContact O-N 2.91Å
277S34.1Very low40.9Very low120 Ų12096.9 Ų96.984%0.83967%0.671SS**  trans-7795168.738.60000110.5
278A40.5Very low43.1Very low79 Ų7998.3 Ų98.365%0.65366%0.658SS**PPolyproline II helixtrans-63.2144.4157.200000109.1S276 S280S276-A278 PolarHBondContact O-N 2.91Å; A278-S280 PolarHBondContact O-N 2.86Å; A278-S280 VanDerWaalsContact O-N 3.13Å
279P38.8Very low45.6Very low103 Ų10398.6 Ų98.667%0.66964%0.639SS**PPolyproline II helixtrans-64.2117.1174.726.6-33.1000109.2
280S44.9Very low47.8Very low76 Ų7696.1 Ų96.153%0.53161%0.608SS.*PPolyproline II helixtrans-63.2154.5176.7-79.50000110.8A278 S282 Q283A278-S280 PolarHBondContact O-N 2.86Å; A278-S280 VanDerWaalsContact O-N 3.13Å; S280-S282 VanDerWaalsContact CB-OG 3.29Å; S280-S282 WeakPolarHBondContact CB-OG 3.38Å; S280-S282 PolarHBondContact O-N 3.39Å; S280-Q283 PolarHBondContact O-N 3.34Å
281A50.4Low50.2Low79 Ų7996.3 Ų96.365%0.65360%0.595SS**Hα-helixtrans-57.1-21.5178.600000113.7S285A281-S285 WeakPolarHBondContact O-CB 3.49Å; A281-S285 PolarHBondContact O-N 3.31Å; A281-S285 VanDerWaalsContact O-N 3.11Å; A281-S285 PolarHBondContact O-OG 2.95Å
282S56.1Low52.5Low41 Ų4190.5 Ų90.529%0.28757%0.573SS.*Hα-helixtrans-56.4-48.1168.343.20000113.3S280 A284 S285 V286 H313S280-S282 VanDerWaalsContact CB-OG 3.29Å; S280-S282 WeakPolarHBondContact CB-OG 3.38Å; S280-S282 PolarHBondContact O-N 3.39Å; S282-A284 PolarHBondContact O-N 3.25Å; S282-S285 WeakPolarHBondContact O-CA 3.49Å; S282-S285 WeakPolarHBondContact O-CB 3.29Å; S282-S285 PolarHBondContact O-N 2.88Å; S282-V286 WeakPolarHBondContact O-CG2 3.36Å; S282-V286 PolarHBondContact O-N 2.75Å; S282-H313 WeakPolarHBondContact CB-NE2 3.33Å
283Q58.6Low54.1Low112 Ų11285.2 Ų85.252%0.52354%0.54SS..Hα-helixtrans-62.3-46.5179.4-78.1179.1-62.400111.6S280 S285 V286 D287S280-Q283 PolarHBondContact O-N 3.34Å; Q283-S285 PolarHBondContact O-N 3.42Å; Q283-S285 VanDerWaalsContact O-N 3.16Å; Q283-V286 PolarHBondContact O-N 3.48Å; Q283-V286 VanDerWaalsContact O-N 3.12Å; Q283-D287 VanDerWaalsContact O-CG 3.32Å; Q283-D287 PolarHBondContact O-N 3Å
284A63Low56.3Low66 Ų6686.3 Ų86.355%0.54553%0.529SS..Hα-helixtrans-59.6-28.3174.900000113.1S282 F288S282-A284 PolarHBondContact O-N 3.25Å; A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.05Å; A284-F288 VanDerWaalsContact O-N 3.12Å
285S62.6Low58.3Low66 Ų6683.7 Ų83.746%0.46251%0.511SS..Hα-helixtrans-78.1-39.4176.7-54.60000111.9A281 S282 Q283 F288 L289A281-S285 WeakPolarHBondContact O-CB 3.49Å; A281-S285 PolarHBondContact O-N 3.31Å; A281-S285 VanDerWaalsContact O-N 3.11Å; A281-S285 PolarHBondContact O-OG 2.95Å; S282-S285 WeakPolarHBondContact O-CA 3.49Å; S282-S285 WeakPolarHBondContact O-CB 3.29Å; S282-S285 PolarHBondContact O-N 2.88Å; Q283-S285 PolarHBondContact O-N 3.42Å; Q283-S285 VanDerWaalsContact O-N 3.16Å; S285-F288 PolarHBondContact O-N 3.05Å; S285-L289 WeakPolarHBondContact O-CG 3.47Å; S285-L289 PolarHBondContact O-N 3.27Å; S285-L289 VanDerWaalsContact O-N 3.09Å
286V71Confident60.4Low22 Ų2279.2 Ų79.213%0.13349%0.489CS..Hα-helixtrans-65.4-431731720000111.1S282 Q283 F288 L289 K290 V311 H313S282-V286 WeakPolarHBondContact O-CG2 3.36Å; S282-V286 PolarHBondContact O-N 2.75Å; Q283-V286 PolarHBondContact O-N 3.48Å; Q283-V286 VanDerWaalsContact O-N 3.12Å; V286-F288 VanDerWaalsContact C-N 3.34Å; V286-F288 PolarHBondContact O-N 3.43Å; V286-L289 PolarHBondContact O-N 3.08Å; V286-K290 HydrophobicContact CG1-CD 4.37Å; V286-K290 WeakPolarHBondContact O-CG 3.21Å; V286-K290 PolarHBondContact O-N 3.36Å; V286-V311 HydrophobicContact CG1-CG1 4.11Å; V286-H313 HydrophobicContact CG2-CB 3.8Å
287D69.4Low62.5Low89 Ų8974.5 Ų74.548%0.47646%0.458SS..Hα-helixtrans-64.6-39.4176.9-67-29.1000111.2Q283 K290 N291Q283-D287 VanDerWaalsContact O-CG 3.32Å; Q283-D287 PolarHBondContact O-N 3Å; D287-K290 PolarHBondContact O-N 2.78Å; D287-N291 PolarHBondContact O-N 2.98Å; D287-N291 PolarHBondContact O-ND2 3.49Å
288F71.8Confident64.2Low134 Ų13472.1 Ų72.159%0.58845%0.445SS*.Hα-helixtrans-60.2-44.4173.3177.6-109.8000112.3A284 S285 V286 K290 N291 I292A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.05Å; A284-F288 VanDerWaalsContact O-N 3.12Å; S285-F288 PolarHBondContact O-N 3.05Å; V286-F288 VanDerWaalsContact C-N 3.34Å; V286-F288 PolarHBondContact O-N 3.43Å; F288-K290 PolarHBondContact O-N 3.15Å; F288-N291 PolarHBondContact O-N 3.18Å; F288-I292 HydrophobicContact CD1-CD1 3.97Å; F288-I292 HydrophobicContact CE1-CD1 3.5Å; F288-I292 HydrophobicContact CE2-CD1 4.17Å; F288-I292 HydrophobicContact CG-CD1 4.49Å; F288-I292 HydrophobicContact CZ-CD1 3.63Å; F288-I292 WeakPolarHBondContact O-CG1 3.45Å; F288-I292 PolarHBondContact O-N 3.02Å
289L75.2Confident65.5Low89 Ų8975.5 Ų75.547%0.46645%0.449SS..Hα-helixtrans-63.3-38.3176.1-69.6168.3000112.4S285 V286 I292 G293 V311S285-L289 WeakPolarHBondContact O-CG 3.47Å; S285-L289 PolarHBondContact O-N 3.27Å; S285-L289 VanDerWaalsContact O-N 3.09Å; V286-L289 PolarHBondContact O-N 3.08Å; L289-I292 PolarHBondContact O-N 3.04Å; L289-G293 PolarHBondContact O-N 3.24Å; L289-V311 HydrophobicContact CB-CG1 4.06Å; L289-V311 HydrophobicContact CB-CG2 4.39Å; L289-V311 HydrophobicContact CD1-CG1 4.31Å
290K73.9Confident66.7Low55 Ų5573 Ų7324%0.23943%0.43CS..Hα-helixtrans-65.5-44.1175-72.1178.6177.9-178.30112.4V286 D287 F288 I292 G293 E294 V311 T318 V320V286-K290 HydrophobicContact CG1-CD 4.37Å; V286-K290 WeakPolarHBondContact O-CG 3.21Å; V286-K290 PolarHBondContact O-N 3.36Å; D287-K290 PolarHBondContact O-N 2.78Å; F288-K290 PolarHBondContact O-N 3.15Å; K290-I292 VanDerWaalsContact C-N 3.27Å; K290-I292 PolarHBondContact O-N 3.47Å; K290-G293 PolarHBondContact O-N 3.18Å; K290-G293 VanDerWaalsContact O-N 3.13Å; K290-E294 PolarHBondContact O-N 2.83Å; K290-V311 HydrophobicContact CG-CB 4.3Å; K290-V311 HydrophobicContact CG-CG2 3.9Å; K290-T318 WeakPolarHBondContact CE-OG1 3.47Å; K290-T318 PolarHBondContact NZ-OG1 2.78Å; K290-V320 HydrophobicContact CG-CG2 4.28Å
291N74.4Confident67.8Low109 Ų10973 Ų7358%0.58343%0.43SS*.Hα-helixtrans-61.7-33.7174.6-79.3-90.1000112.4D287 F288 G295D287-N291 PolarHBondContact O-N 2.98Å; D287-N291 PolarHBondContact O-ND2 3.49Å; F288-N291 PolarHBondContact O-N 3.18Å; N291-G295 PolarHBondContact O-N 3.25Å; N291-G295 VanDerWaalsContact O-N 3.12Å
292I75.1Confident68.8Low82 Ų8274.1 Ų74.142%0.42143%0.431SS..Hα-helixtrans-68.1-46.2171.6-69.9172.6000110.9F288 L289 K290 E294 G295 V296F288-I292 HydrophobicContact CD1-CD1 3.97Å; F288-I292 HydrophobicContact CE1-CD1 3.5Å; F288-I292 HydrophobicContact CE2-CD1 4.17Å; F288-I292 HydrophobicContact CG-CD1 4.49Å; F288-I292 HydrophobicContact CZ-CD1 3.63Å; F288-I292 WeakPolarHBondContact O-CG1 3.45Å; F288-I292 PolarHBondContact O-N 3.02Å; L289-I292 PolarHBondContact O-N 3.04Å; K290-I292 VanDerWaalsContact C-N 3.27Å; K290-I292 PolarHBondContact O-N 3.47Å; I292-E294 PolarHBondContact O-N 3.04Å; I292-G295 PolarHBondContact O-N 2.83Å; I292-G295 VanDerWaalsContact O-N 3.16Å; I292-V296 HydrophobicContact CG2-CG2 4.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.4Å; I292-V296 PolarHBondContact O-N 2.99Å
293G73.1Confident69.1Low7 Ų778 Ų787%0.07245%0.448CS..Hα-helixtrans-56.6-49.6177.800000112.6L289 K290 G295 V296 A297 I309L289-G293 PolarHBondContact O-N 3.24Å; K290-G293 PolarHBondContact O-N 3.18Å; K290-G293 VanDerWaalsContact O-N 3.13Å; G293-G295 VanDerWaalsContact C-N 3.32Å; G293-G295 PolarHBondContact O-N 3.3Å; G293-V296 PolarHBondContact O-N 3.43Å; G293-A297 WeakPolarHBondContact O-CB 3.18Å; G293-A297 PolarHBondContact O-N 3.27Å; G293-I309 WeakPolarHBondContact O-CD1 3.24Å
294E70.6Confident69Low114 Ų11475.9 Ų75.953%0.53346%0.456SS..Hα-helixtrans-59.9-40.3174.8-70.7-178.1-17500112.3K290 I292 A298 V320K290-E294 PolarHBondContact O-N 2.83Å; I292-E294 PolarHBondContact O-N 3.04Å; E294-A298 VanDerWaalsContact O-CB 3.22Å; E294-A298 WeakPolarHBondContact O-CB 3.43Å; E294-A298 PolarHBondContact O-N 3.46Å; E294-V320 HydrophobicContact CG-CG1 4.22Å
295G68.7Low69.1Low36 Ų3677 Ų7737%0.37145%0.451SS..Hα-helixtrans-64.3-40.917600000113.6N291 I292 G293 M299N291-G295 PolarHBondContact O-N 3.25Å; N291-G295 VanDerWaalsContact O-N 3.12Å; I292-G295 PolarHBondContact O-N 2.83Å; I292-G295 VanDerWaalsContact O-N 3.16Å; G293-G295 VanDerWaalsContact C-N 3.32Å; G293-G295 PolarHBondContact O-N 3.3Å; G295-M299 WeakPolarHBondContact O-CG 3.17Å; G295-M299 PolarHBondContact O-N 2.69Å; G295-M299 VanDerWaalsContact O-N 3.1Å
296V67.4Low68.8Low63 Ų6381 Ų8138%0.38247%0.468SS..Hα-helixtrans-68.5-47176.61710000110.7I292 G293 A298 M299 L300I292-V296 HydrophobicContact CG2-CG2 4.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.4Å; I292-V296 PolarHBondContact O-N 2.99Å; G293-V296 PolarHBondContact O-N 3.43Å; V296-A298 VanDerWaalsContact C-N 3.32Å; V296-A298 PolarHBondContact O-N 2.95Å; V296-M299 PolarHBondContact O-N 2.71Å; V296-M299 VanDerWaalsContact O-N 3.09Å; V296-L300 HydrophobicContact CG1-CD1 3.74Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CG 3.32Å; V296-L300 PolarHBondContact O-N 3.08Å
297A72.7Confident68.2Low23 Ų2382.6 Ų82.619%0.1948%0.477CS..Hα-helixtrans-58.5-43.4175.300000111.8G293 M299 L300 S301 I309G293-A297 WeakPolarHBondContact O-CB 3.18Å; G293-A297 PolarHBondContact O-N 3.27Å; A297-M299 VanDerWaalsContact C-N 3.28Å; A297-M299 PolarHBondContact O-N 2.74Å; A297-L300 PolarHBondContact O-N 2.81Å; A297-S301 VanDerWaalsContact O-CB 3.29Å; A297-S301 WeakPolarHBondContact O-CB 3.5Å; A297-S301 PolarHBondContact O-N 3.41Å; A297-I309 HydrophobicContact CB-CD1 4.1Å
298A70.2Confident67.6Low69 Ų6983.2 Ų83.257%0.5748%0.481SS*.Hα-helixtrans-66.8-24.2176.700000114E294 V296 P302E294-A298 VanDerWaalsContact O-CB 3.22Å; E294-A298 WeakPolarHBondContact O-CB 3.43Å; E294-A298 PolarHBondContact O-N 3.46Å; V296-A298 VanDerWaalsContact C-N 3.32Å; V296-A298 PolarHBondContact O-N 2.95Å; A298-P302 WeakPolarHBondContact O-CD 3.41Å
299M68.1Low67.6Low151 Ų15178.6 Ų78.674%0.74446%0.462SS*.Hα-helixtrans-84.9-24.6173.7-77.1-170.564.400113.9G295 V296 A297G295-M299 WeakPolarHBondContact O-CG 3.17Å; G295-M299 PolarHBondContact O-N 2.69Å; G295-M299 VanDerWaalsContact O-N 3.1Å; V296-M299 PolarHBondContact O-N 2.71Å; V296-M299 VanDerWaalsContact O-N 3.09Å; A297-M299 VanDerWaalsContact C-N 3.28Å; A297-M299 PolarHBondContact O-N 2.74Å
300L62.9Low67.1Low51 Ų5178.8 Ų78.827%0.26746%0.463SS..Hα-helixtrans-96.7-25.6-179-66.1176.8000113.6V296 A297 P302 L303 G304 I305 V307V296-L300 HydrophobicContact CG1-CD1 3.74Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CG 3.32Å; V296-L300 PolarHBondContact O-N 3.08Å; A297-L300 PolarHBondContact O-N 2.81Å; L300-P302 VanDerWaalsContact C-CD 3.46Å; L300-P302 VanDerWaalsContact C-N 3.35Å; L300-L303 HydrophobicContact CD2-CD1 4.26Å; L300-L303 WeakPolarHBondContact O-CA 3.49Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 2.76Å; L300-G304 PolarHBondContact O-N 2.73Å; L300-I305 HydrophobicContact CB-CB 4.32Å; L300-I305 PolarHBondContact O-N 3.37Å; L300-V307 HydrophobicContact CD1-CG2 3.68Å
301S69Low66.7Low74 Ų7476.8 Ų76.852%0.51746%0.455SS..G310 helixtrans-52.3-40173.2175.50000114.2A297 L303 G304A297-S301 VanDerWaalsContact O-CB 3.29Å; A297-S301 WeakPolarHBondContact O-CB 3.5Å; A297-S301 PolarHBondContact O-N 3.41Å; S301-L303 PolarHBondContact O-N 3.39Å; S301-L303 VanDerWaalsContact O-N 3.12Å; S301-G304 PolarHBondContact O-N 3Å
302P71.3Confident66.1Low104 Ų10476.5 Ų76.568%0.67545%0.451SS*.G310 helixtrans-66.1-9.6173.8-21.534.5000115.2A298 L300A298-P302 WeakPolarHBondContact O-CD 3.41Å; L300-P302 VanDerWaalsContact C-CD 3.46Å; L300-P302 VanDerWaalsContact C-N 3.35Å
303L62.8Low65.3Low123 Ų12376 Ų7664%0.64445%0.446SS*.G310 helixtrans-1043.8175.7-53.6178.3000112.3L300 S301 I305L300-L303 HydrophobicContact CD2-CD1 4.26Å; L300-L303 WeakPolarHBondContact O-CA 3.49Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 2.76Å; S301-L303 PolarHBondContact O-N 3.39Å; S301-L303 VanDerWaalsContact O-N 3.12Å; L303-I305 VanDerWaalsContact C-N 3.29Å; L303-I305 HydrophobicContact CB-CD1 4.3Å; L303-I305 HydrophobicContact CB-CG1 4.46Å; L303-I305 PolarHBondContact O-N 2.85Å
304G56.9Low64Low67 Ų6784.2 Ų84.269%0.69148%0.483SS*.THydrogen-bonded Turntrans74.813.7-178.400000114.8L300 S301L300-G304 PolarHBondContact O-N 2.73Å; S301-G304 PolarHBondContact O-N 3Å
305I63.4Low63.2Low89 Ų8981.7 Ų81.746%0.45649%0.487SS..  trans-10297.9-178.3-57.6168.2000108.7L300 L303 V307L300-I305 HydrophobicContact CB-CB 4.32Å; L300-I305 PolarHBondContact O-N 3.37Å; L303-I305 VanDerWaalsContact C-N 3.29Å; L303-I305 HydrophobicContact CB-CD1 4.3Å; L303-I305 HydrophobicContact CB-CG1 4.46Å; L303-I305 PolarHBondContact O-N 2.85Å; I305-V307 HydrophobicContact CG2-CG2 3.97Å
306D56.9Low62.2Low150 Ų15087.1 Ų87.180%0.80250%0.503SS*.  trans-73.1131.6167.8-73.2-53.1000110.1
307V59.4Low61.4Low56 Ų5691 Ų9134%0.33952%0.515SS..  trans-125.6121.1179.5-177.20000108.8L300 I305 I309L300-V307 HydrophobicContact CD1-CG2 3.68Å; I305-V307 HydrophobicContact CG2-CG2 3.97Å; V307-I309 HydrophobicContact CB-CD1 4.43Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 4.24Å; V307-I309 WeakPolarHBondContact O-CD1 3.45Å
308D57Low60.6Low101 Ų10192.5 Ų92.554%0.5452%0.522SS..  trans-79.1120.1168.6-80.2-38.6000109.8K319D308-K319 WeakPolarHBondContact OD1-CE 3.18Å; D308-K319 IonicContact OD1-NZ 3.3Å; D308-K319 PolarHBondContact OD1-NZ 3.07Å; D308-K319 IonicContact OD2-NZ 3.41Å; D308-K319 PolarHBondContact OD2-NZ 3.29Å
309I69.9Low59.9Low38 Ų3894.6 Ų94.620%0.19552%0.518CS..EExtended strand (participates in β ladder)trans-107.9108.6172.4-54.196.1000109.2G293 A297 V307 V311 V320G293-I309 WeakPolarHBondContact O-CD1 3.24Å; A297-I309 HydrophobicContact CB-CD1 4.1Å; V307-I309 HydrophobicContact CB-CD1 4.43Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 4.24Å; V307-I309 WeakPolarHBondContact O-CD1 3.45Å; I309-V311 HydrophobicContact CG2-CG2 4.06Å; I309-V320 PolarHBondContact O-N 3.32Å; I309-V320 VanDerWaalsContact O-N 3.12Å
310D64.7Low59.2Low93 Ų9389.1 Ų89.150%0.49749%0.493SS..EExtended strand (participates in β ladder)trans-91.3120.4166.9-72.3-33.5000109.6K319D310-K319 WeakPolarHBondContact OD1-CA 3.27Å; D310-K319 WeakPolarHBondContact OD1-CB 3.4Å; D310-K319 WeakPolarHBondContact OD1-CG 3.41Å
311V66.8Low58.4Low12 Ų1291.2 Ų91.27%0.07351%0.508CS..EExtended strand (participates in β ladder)trans-104.7118.2172.1-176.10000108.8V286 L289 K290 I309 T318V286-V311 HydrophobicContact CG1-CG1 4.11Å; L289-V311 HydrophobicContact CB-CG1 4.06Å; L289-V311 HydrophobicContact CB-CG2 4.39Å; L289-V311 HydrophobicContact CD1-CG1 4.31Å; K290-V311 HydrophobicContact CG-CB 4.3Å; K290-V311 HydrophobicContact CG-CG2 3.9Å; I309-V311 HydrophobicContact CG2-CG2 4.06Å; V311-T318 PolarHBondContact N-O 2.92Å; V311-T318 PolarHBondContact O-N 2.83Å; V311-T318 PolarHBondContact O-OG1 3.26Å
312E62.4Low57Low103 Ų10392 Ų9248%0.48151%0.512SS..EExtended strand (participates in β ladder)trans-105.4134.8-179.1-172162-154.500112.2Q316 K317E312-Q316 WeakPolarHBondContact CA-O 3.36Å; E312-K317 HydrophobicContact CB-CG 4.01Å; E312-K317 VanDerWaalsContact CD-CG 3.43Å; E312-K317 HydrophobicContact CG-CG 3.85Å; E312-K317 WeakPolarHBondContact OE1-CE 3.46Å; E312-K317 WeakPolarHBondContact OE2-CE 3.24Å; E312-K317 IonicContact OE2-NZ 3.1Å
313H56.8Low55.3Low71 Ų7193 Ų9333%0.32952%0.518SS..EExtended strand (participates in β ladder)trans-141.6135.7169.9-166.6-87.5000109S282 V286 G315 Q316S282-H313 WeakPolarHBondContact CB-NE2 3.33Å; V286-H313 HydrophobicContact CG2-CB 3.8Å; H313-G315 PolarHBondContact O-N 3.44Å; H313-Q316 PolarHBondContact N-O 2.71Å; H313-Q316 PolarHBondContact O-N 3.32Å
314E45.6Very low53.8Low180 Ų18093.5 Ų93.584%0.84153%0.526SS*.THydrogen-bonded Turntrans49.133.2177.8-71.1162.6143.800114.7
315G53.7Low52.6Low61 Ų6199.6 Ų99.663%0.62954%0.537SS*.THydrogen-bonded Turntrans81.211.117900000115.4H313H313-G315 PolarHBondContact O-N 3.44Å
316Q47.6Very low51.2Low150 Ų150100.9 Ų100.970%0.70155%0.554SS**EExtended strand (participates in β ladder)trans-109.8114.6169.6-69-166.3-12.700111.2E312 H313E312-Q316 WeakPolarHBondContact CA-O 3.36Å; H313-Q316 PolarHBondContact N-O 2.71Å; H313-Q316 PolarHBondContact O-N 3.32Å
317K51.8Low49.8Very low144 Ų14497.7 Ų97.763%0.62656%0.556SS**EExtended strand (participates in β ladder)trans-81.2129.1173.2-64.3-179.8175.5178.70110E312E312-K317 HydrophobicContact CB-CG 4.01Å; E312-K317 VanDerWaalsContact CD-CG 3.43Å; E312-K317 HydrophobicContact CG-CG 3.85Å; E312-K317 WeakPolarHBondContact OE1-CE 3.46Å; E312-K317 WeakPolarHBondContact OE2-CE 3.24Å; E312-K317 IonicContact OE2-NZ 3.1Å
318T55.8Low48.4Very low55 Ų55100.4 Ų100.434%0.33759%0.585SS.*EExtended strand (participates in β ladder)trans-120.5109.9172.454.30000110.8K290 V311K290-T318 WeakPolarHBondContact CE-OG1 3.47Å; K290-T318 PolarHBondContact NZ-OG1 2.78Å; V311-T318 PolarHBondContact N-O 2.92Å; V311-T318 PolarHBondContact O-N 2.83Å; V311-T318 PolarHBondContact O-OG1 3.26Å
319K54.3Low47Very low113 Ų11398.9 Ų98.949%0.49159%0.593SS.*EExtended strand (participates in β ladder)trans-75.3134.7176.3-174.8161.1176.9158.80111.2D308 D310D308-K319 WeakPolarHBondContact OD1-CE 3.18Å; D308-K319 IonicContact OD1-NZ 3.3Å; D308-K319 PolarHBondContact OD1-NZ 3.07Å; D308-K319 IonicContact OD2-NZ 3.41Å; D308-K319 PolarHBondContact OD2-NZ 3.29Å; D310-K319 WeakPolarHBondContact OD1-CA 3.27Å; D310-K319 WeakPolarHBondContact OD1-CB 3.4Å; D310-K319 WeakPolarHBondContact OD1-CG 3.41Å
320V55.1Low45.6Very low36 Ų36103.6 Ų103.622%0.21863%0.626CS.*EExtended strand (participates in β ladder)trans-112.3121.6175.1-169.30000109.4K290 E294 I309K290-V320 HydrophobicContact CG-CG2 4.28Å; E294-V320 HydrophobicContact CG-CG1 4.22Å; I309-V320 PolarHBondContact O-N 3.32Å; I309-V320 VanDerWaalsContact O-N 3.12Å
321T44.9Very low43.8Very low96 Ų96102 Ų10259%0.58963%0.632SS**  trans-134.1126.3178.9-54.30000109.2
322P39.8Very low41.9Very low91 Ų91108.8 Ų108.859%0.59167%0.667SS**  trans-73.8149.6-174.929.7-35.2000112.7T324P322-T324 PolarHBondContact O-N 3.23Å
323P35.9Very low40.4Very low123 Ų123111 Ų11180%0.79969%0.687SS**  trans-79.8113.4-176.930.4-34.3000112.9Q325P323-Q325 PolarHBondContact O-N 3.17Å
324T31.3Very low39.3Very low134 Ų134116.3 Ų116.382%0.82271%0.712SS**  trans-61.5123.8171.3-52.10000111.5P322 S326P322-T324 PolarHBondContact O-N 3.23Å; T324-S326 PolarHBondContact O-N 3.3Å
325Q32.3Very low38.4Very low196 Ų196116.5 Ų116.592%0.91672%0.716SS**  trans-78.3105.1175.8-67.3-174.213.700111.1P323P323-Q325 PolarHBondContact O-N 3.17Å
326S32.4Very low37.3Very low116 Ų116119.5 Ų119.581%0.81172%0.717SS**PPolyproline II helixtrans-79.8124172.344.60000111.6T324T324-S326 PolarHBondContact O-N 3.3Å
327G28.3Very low36.4Very low83 Ų83120.2 Ų120.286%0.85672%0.72SS**PPolyproline II helixtrans-77.5125.7170.200000110.9
328A30.5Very low35.2Very low113 Ų113121.2 Ų121.293%0.93473%0.732SS**PPolyproline II helixtrans-83141.7-172.700000114.2
329G26.2Very low33.9Very low69 Ų69121.5 Ų121.571%0.71175%0.746SS**  trans-143.7137.5164.100000108.8
330P41.6Very low32.6Very low137 Ų137119.8 Ų119.889%0.8976%0.761SS**  trans-105.3159.8-158.438.9-36.3000116.4
331G27.7Very low31.3Very low60 Ų60122.5 Ų122.562%0.61979%0.787SS**  trans96.7145.7160.200000115.6
332D26Very low30.5Very low154 Ų154123.1 Ų123.182%0.82480%0.795SS**  cis-160.5168.7-7.6-88.7-48.2000110.1
333V31.3Very low30Very low148 Ų148125.8 Ų125.890%0.89781%0.805SS**  trans63.4140165.9-64.30000121.8
334E33.4Very low29.6Very low184 Ų184127 Ų12786%0.8680%0.8SS**  trans-94.5163.6176.2-56.8164.495.400112.6
335M27.3Very low29.4Very low184 Ų184128.3 Ų128.391%0.90680%0.802SS**  trans158.5152.9150.2-91.3170.4-161.900110.3
336N29.1Very low29.2Very low123 Ų123122.4 Ų122.466%0.65879%0.794SS**  cis-165.2156.6-36-137.228.9000109.6
337E28.9Very low29Very low165 Ų165121.6 Ų121.677%0.77179%0.794SS**  trans64.9158.4150-73166.7120.900123.5
338D28.1Very low29Very low165 Ų165123.8 Ų123.888%0.88279%0.786SS**  trans61.5147.1165.5-104.5-121.6000122.1
339G28.6Very low29Very low61 Ų61126.8 Ų126.863%0.62978%0.781SS**  cis161.1145.1-7.400000114.2
340G26.4Very low29Very low78 Ų78127.1 Ų127.180%0.80479%0.785SS**  trans73.6127.9172.100000116.1
341A27.9Very low28.4Very low92 Ų92127 Ų12776%0.7679%0.787SS**  cis95.8127.116.600000117.2
342S27.7Very low28.4Very low109 Ų109133.8 Ų133.876%0.76280%0.799SS**  trans70.3150161.7-24.30000117
343N28.1Very low28.5Very low147 Ų147132.8 Ų132.879%0.78680%0.798SS**  cis-146.5-177.333-106.521.9000113.2
344E28Very low28.4Very low149 Ų149131.5 Ų131.570%0.69680%0.796SS**  trans-97.4179.8-166.863-96.338.600118.8
345D28.4Very low28.2Very low161 Ų161133.8 Ų133.886%0.86180%0.797SS**  trans91.3152.7149.5-125.4-38000121.7
346G28.1Very low28.3Very low73 Ų73131.9 Ų131.975%0.75379%0.79SS**  trans122.7109.5173.900000115.7
347A28.5Very low28.4Very low99 Ų99131.2 Ų131.282%0.81880%0.796SS**  trans-113.9164.2-177.100000115
348N26.7Very low28.5Very low129 Ų129130 Ų13069%0.6979%0.794SS**  trans106.6124.3145.5-163.248.1000120.3
349Q30.8Very low28.9Very low175 Ų175130.6 Ų130.682%0.81879%0.792SS**  trans54.7114.7155.5-80.9166.669.300121.1
350G26Very low29Very low77 Ų77136.8 Ų136.879%0.79480%0.804SS**  trans177.9104.8161.700000113.3K352G350-K352 PolarHBondContact O-N 3.22Å
351S29.7Very low29.5Very low134 Ų134144 Ų14494%0.93781%0.807SS**  trans-68.6123.3-174.9-49.90000113.3
352K27.4Very low30.4Very low203 Ų203146 Ų14688%0.88381%0.81SS**  trans-150.5145.6159.8-154.2169.7-177.9-176.90114.5G350G350-K352 PolarHBondContact O-N 3.22Å
353V27.8Very low30.7Very low132 Ų132148 Ų14880%0.881%0.808SS**  trans-62.8130.2177.4178.40000112.6
354S28.9Very low30.9Very low122 Ų122148.7 Ų148.785%0.85381%0.81SS**  trans-142.4141.6134.948.40000107.2
355R29.2Very low31.1Very low231 Ų231146 Ų14687%0.87281%0.808SS**  trans-128.6127.4-176.9-170.4173.9-175.6153.7-0.6108
356D29.9Very low31.4Very low144 Ų144143.8 Ų143.877%0.7781%0.805SS**  trans-59.3135.2171.8-176.641.8000110.8
357S31Very low31.6Very low110 Ų110148.5 Ų148.577%0.76981%0.805SS**  trans-18089.4172.2-100.40000109.3
358D32Very low32Very low139 Ų139151.4 Ų151.474%0.74380%0.801SS**  trans-67.4169.8146.5-75.6-56000110.1
359E36.6Very low32.3Very low178 Ų178152 Ų15283%0.83281%0.809SS**  trans53107.9161.9-62.2179137.600119.6
360E29.9Very low32.3Very low190 Ų190150.6 Ų150.689%0.88881%0.808SS**  -146.7134.4129.7-156.6172.472.200112.1
361W37.8Very low32.9Very low229 Ų229152.8 Ų152.887%0.86781%0.808SS**  trans-82.6152174.6-75.566.6000110.9H363W361-H363 PolarHBondContact O-N 3.46Å
362T45.2Very low33.1Very low135 Ų135150.9 Ų150.983%0.82879%0.794SS**  trans-69.886.3-173.6-45.70000113.5L364T362-L364 HydrophobicContact CG2-CG 4.43Å
363H35.1Very low33.6Very low152 Ų152147.9 Ų147.970%0.70479%0.793SS**  trans-88.6102.8176.4-178.6-103.4000111.8W361 S365W361-H363 PolarHBondContact O-N 3.46Å; H363-S365 PolarHBondContact O-N 3.14Å
364L32.6Very low34Very low161 Ų161145.4 Ų145.484%0.84379%0.794SS**  trans-92.990.5174.7-70177.9000111.2T362T362-L364 HydrophobicContact CG2-CG 4.43Å
365S30.8Very low34Very low91 Ų91149 Ų14964%0.63680%0.798SS**  trans-79.2143.9173.2-169.20000112.5H363H363-S365 PolarHBondContact O-N 3.14Å
366S36.1Very low34.2Very low115 Ų115145.7 Ų145.780%0.80480%0.796SS**  trans-63.5132.4-180-550000113.4
367K31.3Very low34.1Very low173 Ų173147.2 Ų147.275%0.75280%0.799SS**  trans-165.2134.9169.6-131.6157.6-175.9176.50110.6
368E36.8Very low34Very low159 Ų159147.1 Ų147.174%0.74380%0.798SS**  cis-153.7162.3-13.4-125.9155.9-161.100107.1
369V34.1Very low33.7Very low141 Ų141148.6 Ų148.686%0.85581%0.805SS**  trans-118.1137.1173.4-177.90000109
370D30.3Very low33.3Very low147 Ų147148.5 Ų148.579%0.78681%0.805SS**  trans-68.9121.5-166.7-158.8-32000113S372D370-S372 PolarHBondContact O-N 3.22Å
371P39.4Very low34.4Very low122 Ų122144.8 Ų144.879%0.79280%0.797SS**  trans-9389.1-175.635.4-33.2000112.8
372S32.9Very low34Very low94 Ų94141 Ų14166%0.65779%0.794SS**  trans-145.6144.6169.1-161.60000114.5D370D370-S372 PolarHBondContact O-N 3.22Å
373T38.7Very low33.3Very low140 Ų140138 Ų13886%0.85979%0.79SS**  trans50.390.4175.655.30000116.7
374G35.3Very low33Very low80 Ų80142.4 Ų142.483%0.82580%0.8SS**  trans-107129.7161.800000111.8
375E29.5Very low32.9Very low198 Ų198139.5 Ų139.593%0.92580%0.799SS**  trans-144.6169.2160.4-83.8-142.794.300109.3
376L32.7Very low33.3Very low161 Ų161140.8 Ų140.884%0.84381%0.806SS**  trans-133.4160.3-169.7-97.9172.3000112.5
377Q27.2Very low34.1Very low177 Ų177140.7 Ų140.783%0.82780%0.802SS**  trans76.7120.4164.4-66.2175.60.500120.1
378S29.7Very low34Very low108 Ų108140.9 Ų140.976%0.75581%0.806SS**  trans69.8119.6135.3-157.90000120.6
379L25.1Very low34.3Very low169 Ų169138.6 Ų138.689%0.88581%0.805SS**  -167.9153.5109.6-99.5170.7000112.1
380Q29.9Very low34Very low177 Ų177135.7 Ų135.783%0.82780%0.803SS**  trans-157.8165.3-177.3-164.71702400106
381P51.7Low34Very low111 Ų111132.7 Ų132.772%0.72180%0.799SS**  cis-97.1-151.8-8.4-4.630.6000112.3
382D29.8Very low33.9Very low151 Ų151133.3 Ų133.381%0.80780%0.803SS**  cis-164.5162.233.4-142.1-41.5000113.9
383G29.5Very low33.9Very low72 Ų72137.8 Ų137.874%0.74281%0.813SS**  trans150.885.8178.500000116.2
384R29.7Very low34.1Very low244 Ų244140.7 Ų140.792%0.92182%0.817SS**  trans-71.4135.8-177.1-73.8171.7160.3161.9-6.2115.7
385A30Very low34.2Very low99 Ų99139.6 Ų139.682%0.81881%0.806SS**  -171.6128.4129.700000112.9
386P40.3Very low34.8Very low119 Ų119134.7 Ų134.777%0.77379%0.791SS**  trans-118.9-17417142.3-31.9000112.5
387P52Low35.7Very low112 Ų112132.5 Ų132.573%0.72779%0.785SS**  -127.2-176.2-5940.4-26.1000111.6
388E30.2Very low36.6Very low178 Ų178125.9 Ų125.983%0.83276%0.764SS**  trans-177.5160.1141.9-99.1-6286.200109.4
389P42.1Very low37.4Very low111 Ų111125.8 Ų125.872%0.72175%0.754SS**  trans-91.3170.4-168.337.5-36.8000113.9
390G28.4Very low38.5Very low79 Ų79127.9 Ų127.981%0.81475%0.75SS**  cis164.2116.3-5.400000110.8
391A30.9Very low39.4Very low85 Ų85124.8 Ų124.870%0.70274%0.736SS**  trans-112147175.900000109.8Q393A391-Q393 PolarHBondContact O-N 3.46Å
392P36.5Very low39.3Very low135 Ų135120.4 Ų120.488%0.87771%0.709SS**PPolyproline II helixtrans-64.8122.5-17225.4-34.1000111.6
393Q33.8Very low40.1Very low188 Ų188117.5 Ų117.588%0.87971%0.706SS**PPolyproline II helixtrans-76.7156.3174.3-69.3-179.4-1700110.9A391 G395A391-Q393 PolarHBondContact O-N 3.46Å; Q393-G395 PolarHBondContact O-N 3.17Å
394Q42.8Very low41.3Very low201 Ų201120.1 Ų120.194%0.93970%0.702SS**PPolyproline II helixtrans-71.4120179.3-68165.3-33.300109.9
395G36.1Very low42.6Very low57 Ų57112.4 Ų112.459%0.58867%0.674SS**PPolyproline II helixtrans-73.3168.8173.900000113.1Q393Q393-G395 PolarHBondContact O-N 3.17Å
396P42.6Very low44Very low95 Ų95113.5 Ų113.562%0.61767%0.673SS**PPolyproline II helixtrans-61.4142.2178.926.7-35.4000111.9G398 L399P396-G398 VanDerWaalsContact C-N 3.27Å; P396-G398 PolarHBondContact O-N 3.1Å; P396-G398 VanDerWaalsContact O-N 3.1Å; P396-L399 HydrophobicContact CG-CD1 4.02Å; P396-L399 HydrophobicContact CG-CG 4.36Å; P396-L399 PolarHBondContact O-N 3.41Å; P396-L399 VanDerWaalsContact O-N 3.15Å
397T51Low44.8Very low115 Ų115112.9 Ų112.971%0.70666%0.659SS**THydrogen-bonded Turntrans-55.1-36.1-166.2-38.40000114.1L399 R400T397-L399 VanDerWaalsContact C-N 3.25Å; T397-L399 PolarHBondContact O-N 3.21Å; T397-R400 WeakPolarHBondContact O-CB 3.45Å; T397-R400 PolarHBondContact O-N 3.41Å
398G46.8Very low45.4Very low38 Ų38109.2 Ų109.239%0.39263%0.633SS.*Hα-helixtrans-60.9-26.3-178.200000115.1P396 R400 E401 A402P396-G398 VanDerWaalsContact C-N 3.27Å; P396-G398 PolarHBondContact O-N 3.1Å; P396-G398 VanDerWaalsContact O-N 3.1Å; G398-R400 PolarHBondContact O-N 2.87Å; G398-E401 PolarHBondContact O-N 2.8Å; G398-A402 PolarHBondContact O-N 2.89Å
399L47.1Very low46.9Very low105 Ų105103.3 Ų103.355%0.5561%0.61SS.*Hα-helixtrans-67.3-15.3174.3-69.2175.6000113P396 T397P396-L399 HydrophobicContact CG-CD1 4.02Å; P396-L399 HydrophobicContact CG-CG 4.36Å; P396-L399 PolarHBondContact O-N 3.41Å; P396-L399 VanDerWaalsContact O-N 3.15Å; T397-L399 VanDerWaalsContact C-N 3.25Å; T397-L399 PolarHBondContact O-N 3.21Å
400R47Very low47.7Very low214 Ų214107.6 Ų107.681%0.80862%0.621SS**Hα-helixtrans-89.6-31.8176.7-160.4177.3-177.2-154.7-3112.6T397 G398 A402 A403T397-R400 WeakPolarHBondContact O-CB 3.45Å; T397-R400 PolarHBondContact O-N 3.41Å; G398-R400 PolarHBondContact O-N 2.87Å; R400-A402 VanDerWaalsContact C-N 3.31Å; R400-A403 PolarHBondContact O-N 3.17Å
401E48.6Very low49.1Very low112 Ų112112.9 Ų112.952%0.52362%0.624SS.*Hα-helixtrans-62.1-40.3169.5-125.771-150.900110.9G398 A403 L404G398-E401 PolarHBondContact O-N 2.8Å; E401-A403 PolarHBondContact O-N 2.88Å; E401-A403 VanDerWaalsContact O-N 3.09Å; E401-L404 WeakPolarHBondContact O-CB 3.31Å; E401-L404 PolarHBondContact O-N 3.43Å; E401-L404 VanDerWaalsContact O-N 3.1Å
402A49.3Very low50.7Low19 Ų19110 Ų11016%0.15760%0.601CS.*G310 helixtrans-56.3-27.3-179.600000114.2G398 R400 L404 Y405 L408 V417G398-A402 PolarHBondContact O-N 2.89Å; R400-A402 VanDerWaalsContact C-N 3.31Å; A402-L404 PolarHBondContact O-N 2.99Å; A402-Y405 PolarHBondContact O-N 2.61Å; A402-L408 HydrophobicContact CB-CD2 3.96Å; A402-V417 HydrophobicContact CB-CG1 3.6Å
403A48.2Very low52.6Low90 Ų90107.4 Ų107.474%0.74458%0.579SS**G310 helixtrans-72.4-1.3179.900000114.3R400 E401R400-A403 PolarHBondContact O-N 3.17Å; E401-A403 PolarHBondContact O-N 2.88Å; E401-A403 VanDerWaalsContact O-N 3.09Å
404L53.5Low54.8Low127 Ų127102.3 Ų102.367%0.66556%0.562SS**G310 helixtrans-93.4-5.7177.8-72.9157000114.2E401 A402 P406E401-L404 WeakPolarHBondContact O-CB 3.31Å; E401-L404 PolarHBondContact O-N 3.43Å; E401-L404 VanDerWaalsContact O-N 3.1Å; A402-L404 PolarHBondContact O-N 2.99Å; L404-P406 WeakPolarHBondContact O-CD 3.12Å
405Y57.3Low56.6Low82 Ų8298.2 Ų98.232%0.32254%0.538SS..  trans-109.2106-172.2-76.5-90.3000112.9A402 H407 L408 L424 D430A402-Y405 PolarHBondContact O-N 2.61Å; Y405-H407 PolarHBondContact O-N 2.77Å; Y405-H407 VanDerWaalsContact O-N 3.14Å; Y405-L408 PolarHBondContact O-N 2.94Å; Y405-L424 HydrophobicContact CE1-CD1 4.07Å; Y405-L424 HydrophobicContact CE1-CD2 4.3Å; Y405-L424 HydrophobicContact CE2-CD1 3.85Å; Y405-L424 VanDerWaalsContact CZ-CD1 3.48Å; Y405-L424 WeakPolarHBondContact OH-CD1 3.45Å; Y405-D430 HydrophobicContact CE1-CB 4.2Å
406P58.8Low59.1Low122 Ų12296 Ų9679%0.79251%0.513SS*.THydrogen-bonded Turntrans-65.8-15.4-178.8-22.234.4000115.1L404L404-P406 WeakPolarHBondContact O-CD 3.12Å
407H58.3Low61.2Low105 Ų10592.2 Ų92.249%0.48649%0.488SS..THydrogen-bonded Turntrans-95.5-5.3-179-59.1-60.7000113.5Y405 P409Y405-H407 PolarHBondContact O-N 2.77Å; Y405-H407 VanDerWaalsContact O-N 3.14Å; H407-P409 WeakPolarHBondContact O-CD 3.24Å
408L64.2Low62.9Low36 Ų3693.5 Ų93.519%0.18849%0.486CS..SBendtrans-74126.4177.6-166.277.2000109.8A402 Y405 Q410 A412 V417 L420A402-L408 HydrophobicContact CB-CD2 3.96Å; Y405-L408 PolarHBondContact O-N 2.94Å; L408-Q410 PolarHBondContact O-N 3.44Å; L408-A412 HydrophobicContact CD1-CB 4.03Å; L408-A412 HydrophobicContact CD2-CB 4.34Å; L408-A412 HydrophobicContact CG-CB 3.93Å; L408-V417 HydrophobicContact CD1-CG2 4.36Å; L408-V417 HydrophobicContact CD2-CG2 4.1Å; L408-L420 HydrophobicContact CD1-CD2 4.1Å
409P62.6Low65Low53 Ų5392 Ų9234%0.34447%0.47SS..  trans-57137.5172.4-24.834.5000111.1H407 E411 A412H407-P409 WeakPolarHBondContact O-CD 3.24Å; P409-E411 PolarHBondContact O-N 3.43Å; P409-A412 HydrophobicContact CB-CB 4.44Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.4Å; P409-A412 PolarHBondContact O-N 3.31Å
410Q56.8Low67.1Low202 Ų20287.4 Ų87.494%0.94445%0.446SS*.THydrogen-bonded Turntrans-66.2-7.8-178-164.5161.5-1.500113.6L408L408-Q410 PolarHBondContact O-N 3.44Å
411E59.2Low68.9Low189 Ų18978.9 Ų78.988%0.88342%0.421SS*.THydrogen-bonded Turntrans-121.927.7177.1-67.7148.1-164.400111.3P409P409-E411 PolarHBondContact O-N 3.43Å
412A63.4Low70.8Confident26 Ų2675.2 Ų75.222%0.21541%0.41CS..  trans-60137-179.300000113L408 P409 L416 V417L408-A412 HydrophobicContact CD1-CB 4.03Å; L408-A412 HydrophobicContact CD2-CB 4.34Å; L408-A412 HydrophobicContact CG-CB 3.93Å; P409-A412 HydrophobicContact CB-CB 4.44Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.4Å; P409-A412 PolarHBondContact O-N 3.31Å; A412-L416 HydrophobicContact CB-CD2 4.39Å; A412-V417 HydrophobicContact CB-CG2 4.1Å
413D76.8Confident72.7Confident79 Ų7974.3 Ų74.342%0.42240%0.402SS..  trans-55.8129.5171.8-178.2-21.7000109.8R415 L416 V417D413-R415 PolarHBondContact O-N 2.97Å; D413-R415 VanDerWaalsContact O-N 3.1Å; D413-R415 VanDerWaalsContact OD1-CB 3.3Å; D413-R415 WeakPolarHBondContact OD1-CB 3.33Å; D413-R415 PolarHBondContact OD1-N 3.47Å; D413-L416 HydrophobicContact CB-CB 4.23Å; D413-L416 WeakPolarHBondContact O-CA 3.42Å; D413-L416 WeakPolarHBondContact O-CB 3.48Å; D413-L416 PolarHBondContact O-N 3.27Å; D413-V417 PolarHBondContact O-N 3.42Å
414P80.8Confident74.6Confident81 Ų8171.9 Ų71.953%0.52638%0.377SS..Hα-helixtrans-52.6-32.6176.121.1-33.6000113.1L416 V417 E418P414-L416 VanDerWaalsContact C-N 3.33Å; P414-L416 PolarHBondContact O-N 3.11Å; P414-V417 PolarHBondContact O-N 3.24Å; P414-E418 WeakPolarHBondContact O-CG 3.36Å; P414-E418 PolarHBondContact O-N 3.24Å
415R80.9Confident76.2Confident115 Ų11571 Ų7143%0.43438%0.381SS..Hα-helixtrans-64.9-35.4174.9-176.4-178.1167.8179.9-5.8112.5D413 S419 N443 G444D413-R415 PolarHBondContact O-N 2.97Å; D413-R415 VanDerWaalsContact O-N 3.1Å; D413-R415 VanDerWaalsContact OD1-CB 3.3Å; D413-R415 WeakPolarHBondContact OD1-CB 3.33Å; D413-R415 PolarHBondContact OD1-N 3.47Å; R415-S419 VanDerWaalsContact O-CB 3.32Å; R415-S419 WeakPolarHBondContact O-CB 3.45Å; R415-S419 PolarHBondContact O-N 3.34Å; R415-S419 PolarHBondContact O-OG 3.43Å; R415-N443 PolarHBondContact NE-O 3.21Å; R415-G444 VanDerWaalsContact CZ-O 3.27Å; R415-G444 PolarHBondContact NE-O 3.15Å; R415-G444 PolarHBondContact NH2-O 3.1Å
416L87.6Confident77.5Confident12 Ų1272.3 Ų72.36%0.06339%0.392CS..Hα-helixtrans-67.2-41.9175.1175.464.5000110.5A412 D413 P414 S419 L420 L439 Q440A412-L416 HydrophobicContact CB-CD2 4.39Å; D413-L416 HydrophobicContact CB-CB 4.23Å; D413-L416 WeakPolarHBondContact O-CA 3.42Å; D413-L416 WeakPolarHBondContact O-CB 3.48Å; D413-L416 PolarHBondContact O-N 3.27Å; P414-L416 VanDerWaalsContact C-N 3.33Å; P414-L416 PolarHBondContact O-N 3.11Å; L416-S419 PolarHBondContact O-N 3.48Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.41Å; L416-L439 HydrophobicContact CD1-CB 3.51Å; L416-Q440 HydrophobicContact CD1-CB 4.4Å; L416-Q440 HydrophobicContact CD2-CB 4.42Å
417V86.9Confident78.8Confident15 Ų1570 Ų709%0.09139%0.389CS..Hα-helixtrans-62.9-48177.1179.90000111.6A402 L408 A412 D413 P414 S419 L420 A421A402-V417 HydrophobicContact CB-CG1 3.6Å; L408-V417 HydrophobicContact CD1-CG2 4.36Å; L408-V417 HydrophobicContact CD2-CG2 4.1Å; A412-V417 HydrophobicContact CB-CG2 4.1Å; D413-V417 PolarHBondContact O-N 3.42Å; P414-V417 PolarHBondContact O-N 3.24Å; V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 3.29Å; V417-L420 PolarHBondContact O-N 3.38Å; V417-A421 WeakPolarHBondContact O-CB 3.49Å; V417-A421 PolarHBondContact O-N 3.38Å
418E86.8Confident80.1Confident141 Ų14167.8 Ų67.866%0.65938%0.378SS*.Hα-helixtrans-61.4-41.8176.3-72.5175.7176.600111.9P414 A422P414-E418 WeakPolarHBondContact O-CG 3.36Å; P414-E418 PolarHBondContact O-N 3.24Å; E418-A422 WeakPolarHBondContact O-CB 3.23Å; E418-A422 PolarHBondContact O-N 2.89Å
419S91.5Very high81.2Confident8 Ų868.8 Ų68.86%0.05639%0.389CS..Hα-helixtrans-65.7-39.9177.8-57.10000112.6R415 L416 V417 A422 M423 G444R415-S419 VanDerWaalsContact O-CB 3.32Å; R415-S419 WeakPolarHBondContact O-CB 3.45Å; R415-S419 PolarHBondContact O-N 3.34Å; R415-S419 PolarHBondContact O-OG 3.43Å; L416-S419 PolarHBondContact O-N 3.48Å; V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 3.29Å; S419-A422 PolarHBondContact O-N 3.46Å; S419-M423 PolarHBondContact O-N 3Å; S419-G444 WeakPolarHBondContact OG-CA 3.44Å; S419-G444 PolarHBondContact OG-O 3.44Å
420L90Very high82.4Confident7 Ų766.9 Ų66.94%0.03738%0.376CS..Hα-helixtrans-66.1-49.5177.4-177.765.8000110.5L408 L416 V417 A422 M423 L424 D430 L435 T436 L439L408-L420 HydrophobicContact CD1-CD2 4.1Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.41Å; V417-L420 PolarHBondContact O-N 3.38Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 2.91Å; L420-M423 PolarHBondContact O-N 3.09Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.4Å; L420-L424 HydrophobicContact CG-CD1 3.87Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.46Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.36Å; L420-L424 PolarHBondContact O-N 3.48Å; L420-D430 HydrophobicContact CD1-CB 4.42Å; L420-L435 HydrophobicContact CD1-CB 4.33Å; L420-L435 HydrophobicContact CD1-CD2 3.97Å; L420-L435 HydrophobicContact CD1-CG 3.97Å; L420-T436 VanDerWaalsContact CD2-OG1 3.31Å; L420-T436 WeakPolarHBondContact CD2-OG1 3.33Å; L420-L439 VanDerWaalsContact CA-CD1 3.48Å; L420-L439 HydrophobicContact CB-CD1 3.99Å; L420-L439 HydrophobicContact CD1-CD1 4.1Å
421A85.8Confident83.6Confident35 Ų3564.8 Ų64.829%0.28937%0.366SS..Hα-helixtrans-57.5-38.117600000112.6V417 S425V417-A421 WeakPolarHBondContact O-CB 3.49Å; V417-A421 PolarHBondContact O-N 3.38Å; A421-S425 WeakPolarHBondContact O-CB 3.36Å; A421-S425 PolarHBondContact O-N 2.9Å; A421-S425 PolarHBondContact O-OG 3.39Å
422A88.8Confident84.7Confident35 Ų3558.8 Ų58.829%0.28935%0.354SS..Hα-helixtrans-66.4-46.5175.200000112.3E418 S419 L420 S425 M426 I446E418-A422 WeakPolarHBondContact O-CB 3.23Å; E418-A422 PolarHBondContact O-N 2.89Å; S419-A422 PolarHBondContact O-N 3.46Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 2.91Å; A422-S425 WeakPolarHBondContact O-CB 3.31Å; A422-S425 PolarHBondContact O-N 3.45Å; A422-M426 WeakPolarHBondContact O-CG 3.28Å; A422-M426 PolarHBondContact O-N 2.99Å; A422-I446 HydrophobicContact CB-CD1 3.62Å
423M88.9Confident85.8Confident0 Ų057.6 Ų57.60%035%0.345CS..Hα-helixtrans-68.1-37.2178.4-69.2-164.475.800112.8S419 L420 S425 M426 G427 F428 L435 L439 I446 A449 L450 I453S419-M423 PolarHBondContact O-N 3Å; L420-M423 PolarHBondContact O-N 3.09Å; M423-S425 VanDerWaalsContact C-N 3.32Å; M423-S425 PolarHBondContact O-N 3.27Å; M423-M426 WeakPolarHBondContact O-CB 3.37Å; M423-M426 PolarHBondContact O-N 3.3Å; M423-M426 VanDerWaalsContact O-N 3.11Å; M423-G427 PolarHBondContact O-N 2.97Å; M423-F428 HydrophobicContact CB-CD2 4.48Å; M423-F428 HydrophobicContact CE-CD2 4.13Å; M423-F428 HydrophobicContact CE-CE2 4.18Å; M423-F428 HydrophobicContact CE-CG 4.32Å; M423-F428 HydrophobicContact CE-CZ 4.42Å; M423-F428 WeakPolarHBondContact O-CD2 3.35Å; M423-F428 PolarHBondContact O-N 3.18Å; M423-L435 HydrophobicContact CB-CD1 4.29Å; M423-L435 HydrophobicContact CB-CD2 4.02Å; M423-L435 HydrophobicContact CB-CG 4.48Å; M423-L435 HydrophobicContact CE-CD1 3.77Å; M423-L435 HydrophobicContact SD-CD1 3.82Å; M423-L439 HydrophobicContact CG-CD1 4.39Å; M423-L439 HydrophobicContact SD-CD1 3.98Å; M423-L439 HydrophobicContact SD-CD2 3.72Å; M423-L439 HydrophobicContact SD-CG 3.97Å; M423-I446 HydrophobicContact CG-CG1 4.33Å; M423-I446 HydrophobicContact CG-CG2 3.85Å; M423-I446 HydrophobicContact SD-CG2 4.2Å; M423-A449 HydrophobicContact CE-CB 4.38Å; M423-A449 HydrophobicContact SD-CB 3.99Å; M423-L450 HydrophobicContact CE-CD2 3.78Å; M423-L450 HydrophobicContact CE-CG 4.09Å; M423-I453 HydrophobicContact CE-CD1 3.92Å
424L87.4Confident86.4Confident39 Ų3958.9 Ų58.920%0.20434%0.344CS..Hα-helixtrans-59.7-42.7170.3-67.3164.9000111.2Y405 L420 M426 G427 F428 D430 L435Y405-L424 HydrophobicContact CE1-CD1 4.07Å; Y405-L424 HydrophobicContact CE1-CD2 4.3Å; Y405-L424 HydrophobicContact CE2-CD1 3.85Å; Y405-L424 VanDerWaalsContact CZ-CD1 3.48Å; Y405-L424 WeakPolarHBondContact OH-CD1 3.45Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.4Å; L420-L424 HydrophobicContact CG-CD1 3.87Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.46Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.36Å; L420-L424 PolarHBondContact O-N 3.48Å; L424-M426 PolarHBondContact O-N 3.3Å; L424-G427 PolarHBondContact O-N 2.89Å; L424-F428 WeakPolarHBondContact CD2-O 3.36Å; L424-D430 HydrophobicContact CD2-CB 4.3Å; L424-L435 HydrophobicContact CD2-CD2 4.29Å; L424-L435 HydrophobicContact CG-CD2 4.48Å
425S87.6Confident86.8Confident108 Ų10855 Ų5576%0.75532%0.319SS*.Hα-helixtrans-66.2-19.9175.3-56.90000113.8A421 A422 M423 G427A421-S425 WeakPolarHBondContact O-CB 3.36Å; A421-S425 PolarHBondContact O-N 2.9Å; A421-S425 PolarHBondContact O-OG 3.39Å; A422-S425 WeakPolarHBondContact O-CB 3.31Å; A422-S425 PolarHBondContact O-N 3.45Å; M423-S425 VanDerWaalsContact C-N 3.32Å; M423-S425 PolarHBondContact O-N 3.27Å; S425-G427 VanDerWaalsContact C-N 3.29Å
426M83.4Confident87.2Confident111 Ų11149.6 Ų49.655%0.54730%0.298SS..THydrogen-bonded Turntrans-84.62171.4-67.7174.665.700113.2A422 M423 L424 F428 L450A422-M426 WeakPolarHBondContact O-CG 3.28Å; A422-M426 PolarHBondContact O-N 2.99Å; M423-M426 WeakPolarHBondContact O-CB 3.37Å; M423-M426 PolarHBondContact O-N 3.3Å; M423-M426 VanDerWaalsContact O-N 3.11Å; L424-M426 PolarHBondContact O-N 3.3Å; M426-F428 HydrophobicContact CB-CD2 4.05Å; M426-F428 HydrophobicContact CB-CE2 4.2Å; M426-F428 HydrophobicContact CE-CE2 4.49Å; M426-L450 HydrophobicContact CE-CD1 4.01Å; M426-L450 HydrophobicContact CE-CD2 4.37Å
427G86.2Confident87.3Confident72 Ų7254.6 Ų54.674%0.74232%0.321SS*.THydrogen-bonded Turntrans88.514.2177.700000115.4M423 L424 S425M423-G427 PolarHBondContact O-N 2.97Å; L424-G427 PolarHBondContact O-N 2.89Å; S425-G427 VanDerWaalsContact C-N 3.29Å
428F86.7Confident87.5Confident59 Ų5955.4 Ų55.426%0.25933%0.325SS..  trans-79.8148.8166.5-65.8-92.8000110.3M423 L424 M426 W434 L435 L450 I453M423-F428 HydrophobicContact CB-CD2 4.48Å; M423-F428 HydrophobicContact CE-CD2 4.13Å; M423-F428 HydrophobicContact CE-CE2 4.18Å; M423-F428 HydrophobicContact CE-CG 4.32Å; M423-F428 HydrophobicContact CE-CZ 4.42Å; M423-F428 WeakPolarHBondContact O-CD2 3.35Å; M423-F428 PolarHBondContact O-N 3.18Å; L424-F428 WeakPolarHBondContact CD2-O 3.36Å; M426-F428 HydrophobicContact CB-CD2 4.05Å; M426-F428 HydrophobicContact CB-CE2 4.2Å; M426-F428 HydrophobicContact CE-CE2 4.49Å; F428-W434 HydrophobicContact CD1-CH2 4.32Å; F428-L435 HydrophobicContact CB-CD1 4.42Å; F428-L435 HydrophobicContact CB-CD2 3.8Å; F428-L450 HydrophobicContact CE2-CD2 3.73Å; F428-L450 HydrophobicContact CZ-CD2 3.57Å; F428-I453 HydrophobicContact CD1-CD1 4.29Å; F428-I453 HydrophobicContact CE1-CD1 3.86Å; F428-I453 HydrophobicContact CE1-CG2 4.34Å; F428-I453 HydrophobicContact CZ-CD1 4.48Å
429S86.1Confident87.7Confident58 Ų5848.7 Ų48.741%0.40629%0.294SS..  trans-106.2151.4172.161.90000111.1W434S429-W434 PolarHBondContact O-NE1 2.89Å
430D88.6Confident87.6Confident13 Ų1353 Ų537%0.0731%0.313CS..  trans-106.441.3176-168.233.8000112.2Y405 L420 L424 G432 G433 W434 L435 T436Y405-D430 HydrophobicContact CE1-CB 4.2Å; L420-D430 HydrophobicContact CD1-CB 4.42Å; L424-D430 HydrophobicContact CD2-CB 4.3Å; D430-G432 PolarHBondContact O-N 3.25Å; D430-G432 VanDerWaalsContact O-N 3.08Å; D430-G433 PolarHBondContact O-N 3.45Å; D430-G433 WeakPolarHBondContact OD1-CA 3.41Å; D430-W434 PolarHBondContact OD1-N 2.88Å; D430-L435 HydrophobicContact CB-CB 3.98Å; D430-L435 HydrophobicContact CB-CD2 4.43Å; D430-L435 WeakPolarHBondContact OD1-CA 3.44Å; D430-L435 VanDerWaalsContact OD1-CB 3.24Å; D430-L435 WeakPolarHBondContact OD1-CB 3.48Å; D430-L435 PolarHBondContact OD1-N 3.06Å; D430-T436 PolarHBondContact OD1-N 2.72Å; D430-T436 WeakPolarHBondContact OD2-CB 3.4Å; D430-T436 PolarHBondContact OD2-OG1 2.98Å
431E83Confident87.6Confident158 Ų15856.8 Ų56.874%0.73835%0.345SS*.G310 helixtrans-61.7112.9-178.4-70.6-176.2-177.300111.2G433E431-G433 VanDerWaalsContact C-N 3.34Å
432G80.9Confident87.8Confident62 Ų6258.9 Ų58.964%0.63935%0.347SS*.G310 helixtrans74.516.7-175.100000115D430 W434D430-G432 PolarHBondContact O-N 3.25Å; D430-G432 VanDerWaalsContact O-N 3.08Å; G432-W434 PolarHBondContact O-N 3.1Å
433G86.9Confident87.7Confident1 Ų162.5 Ų62.51%0.0136%0.362CS..G310 helixtrans78.811.1172.600000115.6D430 E431 L435 T436 H437D430-G433 PolarHBondContact O-N 3.45Å; D430-G433 WeakPolarHBondContact OD1-CA 3.41Å; E431-G433 VanDerWaalsContact C-N 3.34Å; G433-L435 VanDerWaalsContact C-N 3.32Å; G433-L435 PolarHBondContact O-N 3.21Å; G433-T436 PolarHBondContact O-N 3.21Å; G433-H437 WeakPolarHBondContact O-CB 3.46Å; G433-H437 PolarHBondContact O-CD2 3.24Å; G433-H437 VanDerWaalsContact O-CD2 3.22Å; G433-H437 PolarHBondContact O-N 3.46Å
434W89.6Confident87.6Confident106 Ų10662.7 Ų62.740%0.40236%0.364SS..Hα-helixtrans-64.6-34.3-175.880.3-86.9000113.3F428 S429 D430 G432 L438 I453F428-W434 HydrophobicContact CD1-CH2 4.32Å; S429-W434 PolarHBondContact O-NE1 2.89Å; D430-W434 PolarHBondContact OD1-N 2.88Å; G432-W434 PolarHBondContact O-N 3.1Å; W434-L438 HydrophobicContact CE3-CD2 4.42Å; W434-L438 HydrophobicContact CZ3-CD2 3.8Å; W434-L438 VanDerWaalsContact O-CB 3.31Å; W434-L438 WeakPolarHBondContact O-CB 3.33Å; W434-L438 PolarHBondContact O-N 3.15Å; W434-I453 HydrophobicContact CH2-CD1 3.88Å; W434-I453 HydrophobicContact CH2-CG1 4.36Å; W434-I453 HydrophobicContact CZ3-CD1 4.08Å; W434-I453 HydrophobicContact CZ3-CG1 4.23Å
435L89.6Confident87.8Confident0 Ų064.1 Ų64.10%037%0.372CS..Hα-helixtrans-77.9-40.2-179.2-174.266000109.7L420 M423 L424 F428 D430 G433 L438 L439L420-L435 HydrophobicContact CD1-CB 4.33Å; L420-L435 HydrophobicContact CD1-CD2 3.97Å; L420-L435 HydrophobicContact CD1-CG 3.97Å; M423-L435 HydrophobicContact CB-CD1 4.29Å; M423-L435 HydrophobicContact CB-CD2 4.02Å; M423-L435 HydrophobicContact CB-CG 4.48Å; M423-L435 HydrophobicContact CE-CD1 3.77Å; M423-L435 HydrophobicContact SD-CD1 3.82Å; L424-L435 HydrophobicContact CD2-CD2 4.29Å; L424-L435 HydrophobicContact CG-CD2 4.48Å; F428-L435 HydrophobicContact CB-CD1 4.42Å; F428-L435 HydrophobicContact CB-CD2 3.8Å; D430-L435 HydrophobicContact CB-CB 3.98Å; D430-L435 HydrophobicContact CB-CD2 4.43Å; D430-L435 WeakPolarHBondContact OD1-CA 3.44Å; D430-L435 VanDerWaalsContact OD1-CB 3.24Å; D430-L435 WeakPolarHBondContact OD1-CB 3.48Å; D430-L435 PolarHBondContact OD1-N 3.06Å; G433-L435 VanDerWaalsContact C-N 3.32Å; G433-L435 PolarHBondContact O-N 3.21Å; L435-L438 PolarHBondContact O-N 2.96Å; L435-L439 HydrophobicContact CG-CD1 4.42Å; L435-L439 WeakPolarHBondContact O-CB 3.5Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 2.89Å
436T89.8Confident87.9Confident2 Ų261.4 Ų61.41%0.01235%0.348CS..Hα-helixtrans-57-48.7168.7-71.60000111L420 D430 G433 L439 Q440L420-T436 VanDerWaalsContact CD2-OG1 3.31Å; L420-T436 WeakPolarHBondContact CD2-OG1 3.33Å; D430-T436 PolarHBondContact OD1-N 2.72Å; D430-T436 WeakPolarHBondContact OD2-CB 3.4Å; D430-T436 PolarHBondContact OD2-OG1 2.98Å; G433-T436 PolarHBondContact O-N 3.21Å; T436-L439 PolarHBondContact O-N 3.37Å; T436-Q440 VanDerWaalsContact O-CB 3.28Å; T436-Q440 WeakPolarHBondContact O-CB 3.27Å; T436-Q440 PolarHBondContact O-N 2.89Å
437H89.4Confident88.2Confident116 Ų11657.8 Ų57.854%0.53734%0.339SS..Hα-helixtrans-67.3-37.9177.6-76.6-49.1000113.5G433 Q440 A441G433-H437 WeakPolarHBondContact O-CB 3.46Å; G433-H437 PolarHBondContact O-CD2 3.24Å; G433-H437 VanDerWaalsContact O-CD2 3.22Å; G433-H437 PolarHBondContact O-N 3.46Å; H437-Q440 PolarHBondContact ND1-OE1 3.25Å; H437-Q440 PolarHBondContact O-N 2.98Å; H437-A441 WeakPolarHBondContact O-CB 3.47Å; H437-A441 PolarHBondContact O-N 2.98Å
438L90.3Very high88.3Confident33 Ų3355.8 Ų55.817%0.17332%0.316CS..Hα-helixtrans-62.7-48.2174.6175.660000111W434 L435 Q440 A441 K442 A449 A452 I453W434-L438 HydrophobicContact CE3-CD2 4.42Å; W434-L438 HydrophobicContact CZ3-CD2 3.8Å; W434-L438 VanDerWaalsContact O-CB 3.31Å; W434-L438 WeakPolarHBondContact O-CB 3.33Å; W434-L438 PolarHBondContact O-N 3.15Å; L435-L438 PolarHBondContact O-N 2.96Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.45Å; L438-A441 CarbonylContact O-C 3.32Å; L438-A441 PolarHBondContact O-N 2.88Å; L438-K442 HydrophobicContact CD1-CG 4.16Å; L438-K442 WeakPolarHBondContact O-CB 3.11Å; L438-K442 VanDerWaalsContact O-CG 3.29Å; L438-K442 WeakPolarHBondContact O-CG 3.29Å; L438-K442 PolarHBondContact O-N 3.26Å; L438-A449 HydrophobicContact CD2-CB 4.06Å; L438-A449 HydrophobicContact CG-CB 4.02Å; L438-A452 HydrophobicContact CD1-CB 4.27Å; L438-I453 HydrophobicContact CD2-CD1 3.79Å; L438-I453 HydrophobicContact CD2-CG1 3.81Å
439L91.4Very high88.5Confident0 Ų053 Ų530%030%0.304CS..Hα-helixtrans-65.4-34.2177.3-77.6170.2000112.3L416 L420 M423 L435 T436 K442 N443 G444 A449L416-L439 HydrophobicContact CD1-CB 3.51Å; L420-L439 VanDerWaalsContact CA-CD1 3.48Å; L420-L439 HydrophobicContact CB-CD1 3.99Å; L420-L439 HydrophobicContact CD1-CD1 4.1Å; M423-L439 HydrophobicContact CG-CD1 4.39Å; M423-L439 HydrophobicContact SD-CD1 3.98Å; M423-L439 HydrophobicContact SD-CD2 3.72Å; M423-L439 HydrophobicContact SD-CG 3.97Å; L435-L439 HydrophobicContact CG-CD1 4.42Å; L435-L439 WeakPolarHBondContact O-CB 3.5Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 2.89Å; T436-L439 PolarHBondContact O-N 3.37Å; L439-K442 CarbonylContact O-C 3.48Å; L439-K442 VanDerWaalsContact O-C 3.32Å; L439-K442 PolarHBondContact O-N 3.2Å; L439-N443 PolarHBondContact O-N 3.27Å; L439-G444 PolarHBondContact O-N 3.1Å; L439-A449 HydrophobicContact CD2-CB 3.97Å
440Q89.5Confident88.7Confident99 Ų9952 Ų5246%0.46329%0.294SS..Hα-helixtrans-64.5-46.5172.9-170.2-179.825.100110.9L416 T436 H437 L438 K442 N443L416-Q440 HydrophobicContact CD1-CB 4.4Å; L416-Q440 HydrophobicContact CD2-CB 4.42Å; T436-Q440 VanDerWaalsContact O-CB 3.28Å; T436-Q440 WeakPolarHBondContact O-CB 3.27Å; T436-Q440 PolarHBondContact O-N 2.89Å; H437-Q440 PolarHBondContact ND1-OE1 3.25Å; H437-Q440 PolarHBondContact O-N 2.98Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.45Å; Q440-K442 PolarHBondContact O-N 2.92Å; Q440-N443 PolarHBondContact O-N 2.95Å; Q440-N443 VanDerWaalsContact O-N 3.1Å
441A88.8Confident88.7Confident85 Ų8556.3 Ų56.370%0.70232%0.317SS*.Hα-helixtrans-66.7-16.3174.700000113.8H437 L438H437-A441 WeakPolarHBondContact O-CB 3.47Å; H437-A441 PolarHBondContact O-N 2.98Å; L438-A441 CarbonylContact O-C 3.32Å; L438-A441 PolarHBondContact O-N 2.88Å
442K91.3Very high88.9Confident79 Ų7950.7 Ų50.734%0.34330%0.297SS..THydrogen-bonded Turntrans-106.411.1173.5-61.4-61.7-174.7164.50113.6L438 L439 Q440 G444 D445 A448 A449L438-K442 HydrophobicContact CD1-CG 4.16Å; L438-K442 WeakPolarHBondContact O-CB 3.11Å; L438-K442 VanDerWaalsContact O-CG 3.29Å; L438-K442 WeakPolarHBondContact O-CG 3.29Å; L438-K442 PolarHBondContact O-N 3.26Å; L439-K442 CarbonylContact O-C 3.48Å; L439-K442 VanDerWaalsContact O-C 3.32Å; L439-K442 PolarHBondContact O-N 3.2Å; Q440-K442 PolarHBondContact O-N 2.92Å; K442-G444 VanDerWaalsContact C-N 3.28Å; K442-G444 PolarHBondContact O-N 3.38Å; K442-D445 VanDerWaalsContact O-CB 3.27Å; K442-D445 WeakPolarHBondContact O-CB 3.4Å; K442-D445 PolarHBondContact O-N 3.2Å; K442-D445 VanDerWaalsContact O-N 3.1Å; K442-A448 HydrophobicContact CB-CB 4.48Å; K442-A448 HydrophobicContact CD-CB 3.94Å; K442-A448 WeakPolarHBondContact CE-O 3.45Å; K442-A448 HydrophobicContact CG-CB 4.42Å; K442-A448 PolarHBondContact NZ-O 2.96Å; K442-A449 HydrophobicContact CG-CB 4.36Å
443N87.3Confident89.1Confident111 Ų11149.9 Ų49.959%0.59428%0.278SS*.THydrogen-bonded Turntrans52.339.5177.4-153.6111.3000114R415 L439 Q440R415-N443 PolarHBondContact NE-O 3.21Å; L439-N443 PolarHBondContact O-N 3.27Å; Q440-N443 PolarHBondContact O-N 2.95Å; Q440-N443 VanDerWaalsContact O-N 3.1Å
444G85.7Confident88.8Confident5 Ų555.5 Ų55.55%0.05230%0.304CS..SBendtrans65.643-176.400000113R415 S419 L439 K442R415-G444 VanDerWaalsContact CZ-O 3.27Å; R415-G444 PolarHBondContact NE-O 3.15Å; R415-G444 PolarHBondContact NH2-O 3.1Å; S419-G444 WeakPolarHBondContact OG-CA 3.44Å; S419-G444 PolarHBondContact OG-O 3.44Å; L439-G444 PolarHBondContact O-N 3.1Å; K442-G444 VanDerWaalsContact C-N 3.28Å; K442-G444 PolarHBondContact O-N 3.38Å
445D91.3Very high87.5Confident68 Ų6858 Ų5836%0.36431%0.314SS..  trans-111.5106.7170.4-166.8-47.9000110K442 G447 A448 A449K442-D445 VanDerWaalsContact O-CB 3.27Å; K442-D445 WeakPolarHBondContact O-CB 3.4Å; K442-D445 PolarHBondContact O-N 3.2Å; K442-D445 VanDerWaalsContact O-N 3.1Å; D445-G447 VanDerWaalsContact C-N 3.33Å; D445-G447 WeakPolarHBondContact OD1-CA 3.41Å; D445-G447 PolarHBondContact OD1-N 3.37Å; D445-A448 HydrophobicContact CB-CB 4.02Å; D445-A448 PolarHBondContact OD1-N 3.2Å; D445-A449 WeakPolarHBondContact O-CB 3.44Å; D445-A449 PolarHBondContact O-N 2.69Å; D445-A449 VanDerWaalsContact O-N 3.11Å
446I90.9Very high85.9Confident51 Ų5162.2 Ų62.226%0.26235%0.349SS..Hα-helixtrans-66-36.4-179.3-58.3169000110.8A422 M423 A449 L450A422-I446 HydrophobicContact CB-CD1 3.62Å; M423-I446 HydrophobicContact CG-CG1 4.33Å; M423-I446 HydrophobicContact CG-CG2 3.85Å; M423-I446 HydrophobicContact SD-CG2 4.2Å; I446-A449 PolarHBondContact O-N 3.35Å; I446-L450 HydrophobicContact CG2-CD1 3.81Å; I446-L450 HydrophobicContact CG2-CG 4.21Å; I446-L450 WeakPolarHBondContact O-CB 3.32Å; I446-L450 VanDerWaalsContact O-CG 3.26Å; I446-L450 WeakPolarHBondContact O-CG 3.37Å; I446-L450 PolarHBondContact O-N 3.47Å
447G89.9Confident84.1Confident35 Ų3571.1 Ų71.136%0.36139%0.388SS..Hα-helixtrans-65.3-51.717900000110.9D445 A449 L450 D451D445-G447 VanDerWaalsContact C-N 3.33Å; D445-G447 WeakPolarHBondContact OD1-CA 3.41Å; D445-G447 PolarHBondContact OD1-N 3.37Å; G447-A449 PolarHBondContact O-N 3.03Å; G447-L450 PolarHBondContact O-N 3.02Å; G447-L450 VanDerWaalsContact O-N 3.15Å; G447-D451 PolarHBondContact O-N 3.2Å
448A87.8Confident81.9Confident31 Ų3172.2 Ų72.226%0.25639%0.393SS..Hα-helixtrans-66.9-18.6178.800000113.9K442 D445K442-A448 HydrophobicContact CB-CB 4.48Å; K442-A448 HydrophobicContact CD-CB 3.94Å; K442-A448 WeakPolarHBondContact CE-O 3.45Å; K442-A448 HydrophobicContact CG-CB 4.42Å; K442-A448 PolarHBondContact NZ-O 2.96Å; D445-A448 HydrophobicContact CB-CB 4.02Å; D445-A448 PolarHBondContact OD1-N 3.2Å
449A91.3Very high79.8Confident0 Ų076.4 Ų76.40%042%0.422CS..Hα-helixtrans-79.8-47168.900000112.2M423 L438 L439 K442 D445 I446 G447 D451 A452 I453M423-A449 HydrophobicContact CE-CB 4.38Å; M423-A449 HydrophobicContact SD-CB 3.99Å; L438-A449 HydrophobicContact CD2-CB 4.06Å; L438-A449 HydrophobicContact CG-CB 4.02Å; L439-A449 HydrophobicContact CD2-CB 3.97Å; K442-A449 HydrophobicContact CG-CB 4.36Å; D445-A449 WeakPolarHBondContact O-CB 3.44Å; D445-A449 PolarHBondContact O-N 2.69Å; D445-A449 VanDerWaalsContact O-N 3.11Å; I446-A449 PolarHBondContact O-N 3.35Å; G447-A449 PolarHBondContact O-N 3.03Å; A449-D451 VanDerWaalsContact C-N 3.35Å; A449-D451 PolarHBondContact O-N 3.38Å; A449-A452 WeakPolarHBondContact O-CB 3.26Å; A449-A452 PolarHBondContact O-N 3.11Å; A449-I453 WeakPolarHBondContact O-CG1 3.41Å; A449-I453 PolarHBondContact O-N 2.94Å; A449-I453 VanDerWaalsContact O-N 3.1Å
450L90.5Very high77.5Confident36 Ų3686 Ų8619%0.18846%0.458CS..Hα-helixtrans-61.4-40.7176.3-72.9170.4000112.2M423 M426 F428 I446 G447 A452 I453 Q454M423-L450 HydrophobicContact CE-CD2 3.78Å; M423-L450 HydrophobicContact CE-CG 4.09Å; M426-L450 HydrophobicContact CE-CD1 4.01Å; M426-L450 HydrophobicContact CE-CD2 4.37Å; F428-L450 HydrophobicContact CE2-CD2 3.73Å; F428-L450 HydrophobicContact CZ-CD2 3.57Å; I446-L450 HydrophobicContact CG2-CD1 3.81Å; I446-L450 HydrophobicContact CG2-CG 4.21Å; I446-L450 WeakPolarHBondContact O-CB 3.32Å; I446-L450 VanDerWaalsContact O-CG 3.26Å; I446-L450 WeakPolarHBondContact O-CG 3.37Å; I446-L450 PolarHBondContact O-N 3.47Å; G447-L450 PolarHBondContact O-N 3.02Å; G447-L450 VanDerWaalsContact O-N 3.15Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 2.91Å; L450-I453 PolarHBondContact O-N 3.37Å; L450-Q454 WeakPolarHBondContact O-CB 3.3Å; L450-Q454 WeakPolarHBondContact O-CG 3.42Å; L450-Q454 PolarHBondContact O-N 3.46Å
451D88.4Confident75.6Confident104 Ų10487.1 Ų87.156%0.55647%0.474SS*.Hα-helixtrans-61.2-40.2175.4-74.1-18.8000111.7G447 A449 Q454 Y455G447-D451 PolarHBondContact O-N 3.2Å; A449-D451 VanDerWaalsContact C-N 3.35Å; A449-D451 PolarHBondContact O-N 3.38Å; D451-Q454 PolarHBondContact O-N 2.88Å; D451-Y455 WeakPolarHBondContact O-CB 3.27Å; D451-Y455 PolarHBondContact O-N 2.84Å
452A85.9Confident73.5Confident40 Ų4092.4 Ų92.433%0.33148%0.484SS..Hα-helixtrans-65.6-38.3177.100000112.1L438 A449 L450 A456L438-A452 HydrophobicContact CD1-CB 4.27Å; A449-A452 WeakPolarHBondContact O-CB 3.26Å; A449-A452 PolarHBondContact O-N 3.11Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 2.91Å; A452-A456 PolarHBondContact O-N 3.1Å
453I86.6Confident71.3Confident45 Ų45101.5 Ų101.523%0.23153%0.528CS..Hα-helixtrans-68.4-42175.3-64.8162.9000110.9M423 F428 W434 L438 A449 L450 A456M423-I453 HydrophobicContact CE-CD1 3.92Å; F428-I453 HydrophobicContact CD1-CD1 4.29Å; F428-I453 HydrophobicContact CE1-CD1 3.86Å; F428-I453 HydrophobicContact CE1-CG2 4.34Å; F428-I453 HydrophobicContact CZ-CD1 4.48Å; W434-I453 HydrophobicContact CH2-CD1 3.88Å; W434-I453 HydrophobicContact CH2-CG1 4.36Å; W434-I453 HydrophobicContact CZ3-CD1 4.08Å; W434-I453 HydrophobicContact CZ3-CG1 4.23Å; L438-I453 HydrophobicContact CD2-CD1 3.79Å; L438-I453 HydrophobicContact CD2-CG1 3.81Å; A449-I453 WeakPolarHBondContact O-CG1 3.41Å; A449-I453 PolarHBondContact O-N 2.94Å; A449-I453 VanDerWaalsContact O-N 3.1Å; L450-I453 PolarHBondContact O-N 3.37Å; I453-A456 PolarHBondContact O-N 2.94Å
454Q78.9Confident70.5Confident120 Ų120101.1 Ų101.156%0.56153%0.525SS*.Hα-helixtrans-69.3-38.3179.1-73.1-178.263.500112.6L450 D451 A456 K457L450-Q454 WeakPolarHBondContact O-CB 3.3Å; L450-Q454 WeakPolarHBondContact O-CG 3.42Å; L450-Q454 PolarHBondContact O-N 3.46Å; D451-Q454 PolarHBondContact O-N 2.88Å; Q454-A456 PolarHBondContact O-N 3.1Å; Q454-K457 PolarHBondContact O-N 3.24Å
455Y62.4Low69.7Low158 Ų158106.1 Ų106.162%0.6255%0.55SS*.Hα-helixtrans-61.9-32.1176.9-167.3-99.4000112.4D451 K457 Q458D451-Y455 WeakPolarHBondContact O-CB 3.27Å; D451-Y455 PolarHBondContact O-N 2.84Å; Y455-K457 PolarHBondContact O-N 2.9Å; Y455-Q458 PolarHBondContact O-N 2.82Å
456A57.7Low68.5Low88 Ų88108.2 Ų108.273%0.72756%0.56SS**THydrogen-bonded Turntrans-67.6-16.7174.100000114.1A452 I453 Q454A452-A456 PolarHBondContact O-N 3.1Å; I453-A456 PolarHBondContact O-N 2.94Å; Q454-A456 PolarHBondContact O-N 3.1Å
457K51.1Low67.2Low190 Ų190111.6 Ų111.683%0.82658%0.577SS**THydrogen-bonded Turntrans-92.4-12.7176.2-93.1-174.4174.5-179.90114.5Q454 Y455Q454-K457 PolarHBondContact O-N 3.24Å; Y455-K457 PolarHBondContact O-N 2.9Å
458Q44.3Very low65.8Low138 Ų138116.4 Ų116.465%0.64559%0.591SS**SBendtrans-83.8128.4177.7-67.2-166.51.100110.9Y455 R460Y455-Q458 PolarHBondContact O-N 2.82Å; Q458-R460 PolarHBondContact O-N 3.33Å
459P44.3Very low64.3Low121 Ų121122.1 Ų122.179%0.78661%0.613SS**PPolyproline II helixtrans-64.8122.9169.827.9-32.6000108.5
460R45Very low62.4Low202 Ų202130.8 Ų130.876%0.76266%0.657SS**PPolyproline II helixtrans-59.6132.7175.7-63.9-174.6-174.1-178.52.8108.9Q458 H462Q458-R460 PolarHBondContact O-N 3.33Å; R460-H462 PolarHBondContact O-N 3.41Å
461P48.7Very low60.2Low122 Ų122138.1 Ų138.179%0.79269%0.693SS**PPolyproline II helixtrans-60.7136.5175.326.3-33.9000109.6Q463P461-Q463 PolarHBondContact O-N 3.24Å
462H45.5Very low57.9Low197 Ų197140.9 Ų140.991%0.91270%0.704SS**PPolyproline II helixtrans-64.7129.1174.6-62.8-69.3000110.1R460R460-H462 PolarHBondContact O-N 3.41Å
463Q44.4Very low55.3Low270 Ų270150.1 Ų150.1100%1.26274%0.738SS**  trans-111.40165.1-95.7-173.8-16.500109.1P461P461-Q463 PolarHBondContact O-N 3.24Å

Retrieved 463 of 463 residues in 80.2 ms (Link to these results)