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Isoform 22 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-22 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 1,171 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
1M38.6Very low44.9Very low228 Ų228163.2 Ų163.2100%1.12381%0.812SS**  03.20-120.4175.7-178.100114.8
2F39.8Very low45.4Very low200 Ų200155.5 Ų155.588%0.87778%0.783SS**  trans-111.420.7-177.6-81.7-81.1000115.1
3L41.5Very low45.9Very low175 Ų175153.8 Ų153.892%0.91677%0.77SS**SBendtrans-96.94.3172.3-121.995.1000113.9
4Q42.9Very low46.4Very low173 Ų173146 Ų14681%0.80875%0.748SS**SBendtrans-111.96.8-172.5-144170.90.100114.9
5F42.9Very low47.2Very low184 Ų184143.3 Ų143.381%0.80773%0.734SS**SBendtrans-117.1-0-177.7-91.5-78.7000116.4
6A46.5Very low47.5Very low89 Ų89141 Ų14174%0.73672%0.723SS**SBendtrans-99-12.2179.400000114.9W8A6-W8 VanDerWaalsContact C-N 3.33Å
7V47.1Very low48Very low109 Ų109139.1 Ų139.166%0.66171%0.714SS**THydrogen-bonded Turntrans-85.2-6.5-177.7-173.30000112.7
8W46.7Very low48.3Very low233 Ų233134.3 Ų134.388%0.88370%0.698SS**THydrogen-bonded Turntrans-99.813.7-173.1-102.448.3000116.4A6A6-W8 VanDerWaalsContact C-N 3.33Å
9K48.5Very low48.6Very low176 Ų176129.9 Ų129.977%0.76568%0.68SS**SBendtrans-121.9-8.3175-78.9-169174.5-176.30117.1
10C48.3Very low48.7Very low108 Ų108129.2 Ų129.273%0.7368%0.676SS**SBendtrans-102.6-11.2177.4-660000115
11L51.4Low48.7Very low120 Ų120127.1 Ų127.163%0.62867%0.666SS**Hα-helixtrans-70.6-36.5179.4-131.486000115.6H13 G14 I15L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 3.14Å; L11-G14 PolarHBondContact O-N 3.46Å; L11-I15 HydrophobicContact CD2-CD1 4.35Å; L11-I15 PolarHBondContact O-N 3.32Å
12P51.2Low49.3Very low71 Ų71121.2 Ų121.246%0.46164%0.642SS.*Hα-helixtrans-76.3-18.9-174.627.6-30.3000113.2L16P12-L16 PolarHBondContact O-N 2.75Å
13H51.6Low49.8Very low133 Ų133116.6 Ų116.662%0.61663%0.63SS**Hα-helixtrans-80.3-31.3176.5-68.182.4000112.2L11 I17L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 3.14Å; H13-I17 WeakPolarHBondContact O-CD1 3.47Å; H13-I17 WeakPolarHBondContact O-CG1 3.29Å; H13-I17 PolarHBondContact O-N 3.34Å
14G53.1Low50.1Low45 Ų45111.3 Ų111.346%0.46461%0.608SS.*Hα-helixtrans-70.2-37.6175.700000113.1L11 A18L11-G14 PolarHBondContact O-N 3.46Å; G14-A18 WeakPolarHBondContact O-CB 3.29Å; G14-A18 PolarHBondContact O-N 3.05Å
15I57.3Low50Low105 Ų105112.5 Ų112.554%0.53861%0.605SS.*Hα-helixtrans-73.9-40.1-178.5-60.6170.7000110.9L11 I17 A18 S19L11-I15 HydrophobicContact CD2-CD1 4.35Å; L11-I15 PolarHBondContact O-N 3.32Å; I15-I17 VanDerWaalsContact C-N 3.35Å; I15-I17 PolarHBondContact O-N 3.29Å; I15-A18 PolarHBondContact O-N 2.99Å; I15-S19 WeakPolarHBondContact O-CB 3.31Å; I15-S19 PolarHBondContact O-N 3.17Å; I15-S19 PolarHBondContact O-OG 3.43Å
16L53.4Low50.1Low107 Ų107106.1 Ų106.156%0.5659%0.591SS**Hα-helixtrans-62.1-41176.8-99.6152.2000112.3P12 S19 L20P12-L16 PolarHBondContact O-N 2.75Å; L16-S19 WeakPolarHBondContact CA-OG 3.5Å; L16-S19 PolarHBondContact O-OG 2.85Å; L16-L20 HydrophobicContact CD2-CD1 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 PolarHBondContact O-N 3.25Å
17I54.6Low50.2Low109 Ų109108.8 Ų108.856%0.55959%0.588SS**Hα-helixtrans-70.6-40.5177.6-63.9170000110.9H13 I15 L20 L21H13-I17 WeakPolarHBondContact O-CD1 3.47Å; H13-I17 WeakPolarHBondContact O-CG1 3.29Å; H13-I17 PolarHBondContact O-N 3.34Å; I15-I17 VanDerWaalsContact C-N 3.35Å; I15-I17 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 2.81Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 PolarHBondContact O-N 2.78Å
18A53.7Low50.2Low52 Ų52108.3 Ų108.343%0.4358%0.575SS.*Hα-helixtrans-66.5-40.1175.500000112.2G14 I15 L21 V22G14-A18 WeakPolarHBondContact O-CB 3.29Å; G14-A18 PolarHBondContact O-N 3.05Å; I15-A18 PolarHBondContact O-N 2.99Å; A18-L21 PolarHBondContact O-N 3.06Å; A18-V22 WeakPolarHBondContact O-CB 3.48Å; A18-V22 VanDerWaalsContact O-CG2 3.28Å; A18-V22 WeakPolarHBondContact O-CG2 3.03Å; A18-V22 PolarHBondContact O-N 2.99Å
19S54.8Low50.9Low51 Ų51102 Ų10236%0.35756%0.559SS.*Hα-helixtrans-69.9-35.717655.40000112.4I15 L16 V23I15-S19 WeakPolarHBondContact O-CB 3.31Å; I15-S19 PolarHBondContact O-N 3.17Å; I15-S19 PolarHBondContact O-OG 3.43Å; L16-S19 WeakPolarHBondContact CA-OG 3.5Å; L16-S19 PolarHBondContact O-OG 2.85Å; S19-V23 VanDerWaalsContact O-CB 3.26Å; S19-V23 WeakPolarHBondContact O-CB 3.21Å; S19-V23 WeakPolarHBondContact O-CG2 3.38Å; S19-V23 PolarHBondContact O-N 3.41Å
20L50.4Low51.9Low115 Ų11596.5 Ų96.560%0.60254%0.538SS*.Hα-helixtrans-70.1-34.3174.6-84.5158.3000111.8L16 I17 S24L16-L20 HydrophobicContact CD2-CD1 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 PolarHBondContact O-N 3.25Å; I17-L20 PolarHBondContact O-N 2.81Å; L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.11Å; L20-S24 PolarHBondContact O-N 2.81Å; L20-S24 PolarHBondContact O-OG 2.77Å
21L48.5Very low53.3Low87 Ų8792 Ų9246%0.45551%0.507SS..Hα-helixtrans-71.7-40.6173.6-81.9159.6000112.3I17 A18 S24 W25I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 PolarHBondContact O-N 2.78Å; A18-L21 PolarHBondContact O-N 3.06Å; L21-S24 PolarHBondContact O-OG 2.95Å; L21-W25 VanDerWaalsContact O-CB 3.31Å; L21-W25 WeakPolarHBondContact O-CB 3.35Å; L21-W25 PolarHBondContact O-N 3.19Å
22V51.5Low54.8Low104 Ų10486.3 Ų86.363%0.6348%0.477SS*.Hα-helixtrans-73.7-35.1178.6176.60000111.9A18 G26A18-V22 WeakPolarHBondContact O-CB 3.48Å; A18-V22 VanDerWaalsContact O-CG2 3.28Å; A18-V22 WeakPolarHBondContact O-CG2 3.03Å; A18-V22 PolarHBondContact O-N 2.99Å; V22-G26 WeakPolarHBondContact O-CA 3.37Å; V22-G26 PolarHBondContact O-N 3Å
23V49.3Very low56.2Low102 Ų10287.6 Ų87.662%0.61848%0.475SS*.Hα-helixtrans-75.1-31.6176.6177.40000111.5S19S19-V23 VanDerWaalsContact O-CB 3.26Å; S19-V23 WeakPolarHBondContact O-CB 3.21Å; S19-V23 WeakPolarHBondContact O-CG2 3.38Å; S19-V23 PolarHBondContact O-N 3.41Å
24S47.5Very low57.4Low65 Ų6583 Ų8346%0.45546%0.455SS..Hα-helixtrans-79.7-22.9175.158.40000113.8L20 L21L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.11Å; L20-S24 PolarHBondContact O-N 2.81Å; L20-S24 PolarHBondContact O-OG 2.77Å; L21-S24 PolarHBondContact O-OG 2.95Å
25W41.8Very low58.6Low198 Ų19884 Ų8475%0.7546%0.458SS*.Hα-helixtrans-99.9-27.6178.6-72.521.4000113.6L21 Q27L21-W25 VanDerWaalsContact O-CB 3.31Å; L21-W25 WeakPolarHBondContact O-CB 3.35Å; L21-W25 PolarHBondContact O-N 3.19Å; W25-Q27 VanDerWaalsContact C-N 3.33Å; W25-Q27 PolarHBondContact O-N 2.92Å
26G44.5Very low59.4Low50 Ų5083 Ų8352%0.51545%0.448SS..Hα-helixtrans-75.6-16.4-175.400000115.2V22V22-G26 WeakPolarHBondContact O-CA 3.37Å; V22-G26 PolarHBondContact O-N 3Å
27Q48.8Very low59.9Low144 Ų14482 Ų8267%0.67346%0.463SS*.THydrogen-bonded Turntrans-83.9-10.8-176.6-140.61753.300113.7W25W25-Q27 VanDerWaalsContact C-N 3.33Å; W25-Q27 PolarHBondContact O-N 2.92Å
28Y48.1Very low60.2Low99 Ų9979.4 Ų79.439%0.38846%0.464SS..THydrogen-bonded Turntrans-113.8-12.4-173.5-68.5-67000115.2D30 T72 N122 K124Y28-D30 VanDerWaalsContact C-N 3.27Å; Y28-D30 PolarHBondContact O-N 3.16Å; Y28-T72 HydrophobicContact CE1-CG2 4.34Å; Y28-N122 PolarHBondContact O-ND2 2.87Å; Y28-K124 HydrophobicContact CD1-CD 3.79Å; Y28-K124 HydrophobicContact CE1-CD 4.21Å; Y28-K124 HydrophobicContact CG-CD 4.09Å; Y28-K124 PolarHBondContact OH-NZ 2.78Å
29D60Low60.7Low101 Ų10181.3 Ų81.354%0.5447%0.471SS..THydrogen-bonded Turntrans-82.5-6.9-178.8-150.419.9000113.2
30D69.8Low61.2Low60 Ų6084.2 Ų84.232%0.32149%0.489SS..THydrogen-bonded Turntrans-98.1-5.4179.2-109.519.9000113.4Y28 K33 K63Y28-D30 VanDerWaalsContact C-N 3.27Å; Y28-D30 PolarHBondContact O-N 3.16Å; D30-K33 WeakPolarHBondContact O-CB 3.35Å; D30-K33 PolarHBondContact O-N 3.38Å; D30-K33 IonicContact OD1-NZ 3.27Å; D30-K33 PolarHBondContact OD1-NZ 3.5Å; D30-K63 HydrophobicContact CB-CD 4.2Å; D30-K63 IonicContact OD2-NZ 3.74Å; D30-K63 PolarHBondContact OD2-NZ 2.86Å
31D78.7Confident62.2Low15 Ų1579.6 Ų79.68%0.0847%0.468CS..THydrogen-bonded Turntrans-60.6145.4174.7-86.51.9000110.3K33 K63 G64 T72 I73 N122D31-K33 VanDerWaalsContact C-N 3.3Å; D31-K33 PolarHBondContact O-N 3.32Å; D31-K63 WeakPolarHBondContact CA-O 3.35Å; D31-G64 WeakPolarHBondContact OD1-CA 3.41Å; D31-G64 PolarHBondContact OD1-N 2.82Å; D31-T72 WeakPolarHBondContact OD2-CB 3.36Å; D31-T72 PolarHBondContact OD2-OG1 3.41Å; D31-I73 HydrophobicContact CB-CG2 3.77Å; D31-N122 WeakPolarHBondContact CB-ND2 3.39Å
32C81.3Confident63.8Low0 Ų076 Ų760%045%0.449CS..THydrogen-bonded Turntrans74.1-8-168.2-660000117.5K63 C120 N122 I129 H131C32-K63 PolarHBondContact N-O 2.81Å; C32-C120 WeakPolarHBondContact CA-SG 3.2Å; C32-C120 HydrophobicContact CB-CB 3.6Å; C32-C120 WeakPolarHBondContact CB-SG 3.14Å; C32-C120 WeakPolarHBondContact SG-CB 3.32Å; C32-C120 PolarHBondContact SG-O 3.08Å; C32-C120 VanDerWaalsContact SG-O 3.41Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 3.47Å; C32-N122 PolarHBondContact SG-N 2.88Å; C32-I129 HydrophobicContact CB-CB 4.18Å; C32-I129 HydrophobicContact CB-CD1 3.91Å; C32-I129 HydrophobicContact CB-CG1 4.2Å; C32-H131 PolarHBondContact O-CE1 3.03Å; C32-H131 PolarHBondContact O-NE2 2.91Å
33K81.9Confident65.3Low97 Ų9776.7 Ų76.742%0.42245%0.448SS..SBendtrans-80.3151.2170.9-63.2178.5-169.2161.40111D30 D31 K63 I129D30-K33 WeakPolarHBondContact O-CB 3.35Å; D30-K33 PolarHBondContact O-N 3.38Å; D30-K33 IonicContact OD1-NZ 3.27Å; D30-K33 PolarHBondContact OD1-NZ 3.5Å; D31-K33 VanDerWaalsContact C-N 3.3Å; D31-K33 PolarHBondContact O-N 3.32Å; K33-K63 WeakPolarHBondContact O-CB 3.34Å; K33-K63 WeakPolarHBondContact O-CG 3.45Å; K33-K63 PolarHBondContact O-N 3.45Å; K33-I129 HydrophobicContact CG-CD1 4.1Å
34L75.7Confident67Low36 Ų3673.2 Ų73.219%0.18843%0.427CS..BIsolated β-bridgetrans-67.6135.5172.1-68.2166.9000110R36 M60 L61 I62L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 HydrophobicContact CB-CG 4.32Å; L34-M60 WeakPolarHBondContact CD2-O 3.38Å; L34-L61 CarbonylContact C-O 3.59Å; L34-I62 HydrophobicContact CD2-CG1 4.05Å
35A78.1Confident68.9Low66 Ų6672.8 Ų72.855%0.54543%0.428SS..SBendtrans-75.8-18175.600000112.5L61 K63A35-L61 HydrophobicContact CB-CB 4.37Å; A35-L61 WeakPolarHBondContact CB-O 3.32Å; A35-L61 PolarHBondContact N-O 2.89Å; A35-K63 HydrophobicContact CB-CG 4.02Å
36R75.6Confident71.2Confident86 Ų8663.8 Ų63.833%0.32539%0.394SS..SBendtrans-92.414617767.5-178.3-169.8-161.6-1.1111.7L34 T42 L61L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 HydrophobicContact CB-CG 4.32Å; R36-T42 PolarHBondContact NH2-OG1 2.89Å; R36-L61 HydrophobicContact CB-CD1 4.34Å
37G63.1Low73.3Confident84 Ų8463.3 Ų63.387%0.86638%0.38SS*.  trans-82.1133.2162.700000110
38G61.3Low75.2Confident56 Ų5656.4 Ų56.458%0.57735%0.348SS*.SBendtrans164.2178.7-177.500000112.1
39P63.9Low77Confident91 Ų9156.2 Ų56.259%0.59135%0.35SS*.  trans-55.6148.8175.423.1-31.9000111A41P39-A41 PolarHBondContact O-N 2.89Å
40P66.2Low78.3Confident113 Ų11352.5 Ų52.573%0.73433%0.332SS*.SBendtrans-64.5-23-176.824-32.3000112.9
41A71.6Confident79.1Confident18 Ų1859.7 Ų59.715%0.14936%0.355CS..SBendtrans-97.8140176.500000111.7P39 E132P39-A41 PolarHBondContact O-N 2.89Å; A41-E132 CarbonylContact C-O 3.58Å; A41-E132 VanDerWaalsContact CA-O 3.29Å; A41-E132 WeakPolarHBondContact CA-O 3.2Å; A41-E132 HydrophobicContact CB-CB 4.18Å
42T81.3Confident79.5Confident10 Ų1062.8 Ų62.86%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-86.7118.9169.3-49.20000108.6R36 V44 V57 E132 V133 R134R36-T42 PolarHBondContact NH2-OG1 2.89Å; T42-V44 HydrophobicContact CG2-CG2 4.11Å; T42-V57 HydrophobicContact CG2-CG2 4.17Å; T42-E132 PolarHBondContact N-O 2.95Å; T42-V133 CarbonylContact O-C 3.59Å; T42-V133 WeakPolarHBondContact O-CA 3.33Å; T42-R134 PolarHBondContact O-N 2.83Å
43I82.1Confident79.6Confident120 Ų12064.7 Ų64.762%0.61539%0.391SS*.EExtended strand (participates in β ladder)trans-103.9125.4174.4-54.6176.4000108.3R134 V136I43-R134 CarbonylContact C-O 3.59Å; I43-R134 VanDerWaalsContact CA-O 3.32Å; I43-R134 WeakPolarHBondContact CA-O 3.35Å; I43-R134 HydrophobicContact CG1-CB 4.45Å; I43-V136 HydrophobicContact CG2-CG2 4.05Å
44V86.7Confident79.9Confident28 Ų2862.3 Ų62.317%0.1738%0.384CS..EExtended strand (participates in β ladder)trans-124.6139.5176.7179.80000107.8T42 L56 V57 R134 I135 V136T42-V44 HydrophobicContact CG2-CG2 4.11Å; V44-L56 VanDerWaalsContact CG1-O 3.24Å; V44-L56 WeakPolarHBondContact CG1-O 3.15Å; V44-L56 WeakPolarHBondContact CG2-O 3.36Å; V44-V57 HydrophobicContact CG2-CG2 3.67Å; V44-R134 PolarHBondContact N-O 3.01Å; V44-I135 CarbonylContact O-C 3.58Å; V44-I135 VanDerWaalsContact O-CA 3.31Å; V44-I135 WeakPolarHBondContact O-CA 3.4Å; V44-V136 PolarHBondContact O-N 2.94Å
45A86.8Confident80.6Confident57 Ų5764.9 Ų64.947%0.47140%0.397SS..EExtended strand (participates in β ladder)trans-104.1134.1169.900000109.2V136 R138A45-V136 CarbonylContact C-O 3.53Å; A45-V136 VanDerWaalsContact CA-O 3.29Å; A45-V136 WeakPolarHBondContact CA-O 3.38Å; A45-R138 HydrophobicContact CB-CG 4.07Å
46I90Very high81Confident9 Ų962.2 Ų62.25%0.04637%0.374CS..EExtended strand (participates in β ladder)trans-131.3145.4173.9-170.2159.3000108.3S50 T54 L56 L96 L103 I135 V136 V137 R138I46-S50 WeakPolarHBondContact CG1-OG 3.5Å; I46-T54 HydrophobicContact CD1-CG2 3.7Å; I46-L56 HydrophobicContact CB-CD2 4.34Å; I46-L56 HydrophobicContact CD1-CD2 3.54Å; I46-L56 HydrophobicContact CG2-CD2 4.43Å; I46-L96 HydrophobicContact CD1-CB 4.24Å; I46-L96 HydrophobicContact CD1-CD2 3.8Å; I46-L96 HydrophobicContact CD1-CG 4.49Å; I46-L103 HydrophobicContact CG2-CD2 3.92Å; I46-I135 HydrophobicContact CB-CG2 4.36Å; I46-I135 HydrophobicContact CG2-CG2 3.45Å; I46-I135 VanDerWaalsContact CG2-CG2 3.45Å; I46-V136 PolarHBondContact N-O 3.4Å; I46-V137 CarbonylContact O-C 3.55Å; I46-V137 WeakPolarHBondContact O-CA 3.44Å; I46-R138 PolarHBondContact O-N 2.87Å
47D87.7Confident81.6Confident39 Ų3958.7 Ų58.721%0.20936%0.362CS..EExtended strand (participates in β ladder)trans-73.4146.8172.6-62.3-13.7000109.2S50 R138 R140D47-S50 VanDerWaalsContact O-CB 3.23Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.28Å; D47-S50 PolarHBondContact O-OG 3.29Å; D47-R138 IonicContact OD1-CZ 3.38Å; D47-R138 IonicContact OD1-NE 2.84Å; D47-R138 PolarHBondContact OD1-NE 3.11Å; D47-R138 IonicContact OD1-NH2 3.31Å; D47-R138 PolarHBondContact OD1-NH2 3.42Å; D47-R138 IonicContact OD2-NH2 2.83Å; D47-R140 HydrophobicContact CB-CG 3.87Å; D47-R140 IonicContact OD2-NH1 2.75Å; D47-R140 PolarHBondContact OD2-NH1 3.33Å
48E89.2Confident82.6Confident0 Ų060 Ų600%035%0.349CS..THydrogen-bonded Turntrans-58.3164.4163.776.1-168.6113.800111.9S50 L103 R105 V137 R138 D139 R140E48-S50 PolarHBondContact O-N 3.21Å; E48-L103 CarbonylContact C-O 3.56Å; E48-L103 WeakPolarHBondContact CA-O 3.46Å; E48-L103 WeakPolarHBondContact CB-O 3.33Å; E48-R105 HydrophobicContact CB-CB 4.23Å; E48-R105 WeakPolarHBondContact OE2-CA 3.22Å; E48-R105 WeakPolarHBondContact OE2-CB 3.24Å; E48-R105 PolarHBondContact OE2-N 2.81Å; E48-V137 HydrophobicContact CB-CG1 3.72Å; E48-R138 PolarHBondContact N-O 2.84Å; E48-D139 WeakPolarHBondContact OE1-CA 3.18Å; E48-R140 HydrophobicContact CG-CB 3.72Å; E48-R140 HydrophobicContact CG-CG 3.73Å; E48-R140 PolarHBondContact OE1-N 3.46Å
49E85.9Confident83.8Confident94 Ų9460.9 Ų60.944%0.43934%0.34SS..THydrogen-bonded Turntrans54.711.8-170.6-51.5-161.6116.400115.1R51 V102 L103E49-R51 PolarHBondContact O-N 3.49Å; E49-V102 HydrophobicContact CB-CG1 4.2Å; E49-V102 HydrophobicContact CG-CG1 3.87Å; E49-L103 PolarHBondContact N-O 2.58Å
50S88.1Confident84.7Confident23 Ų2356.6 Ų56.616%0.16131%0.313CS..PPolyproline II helixtrans-56134.6177.6-77.80000110.7I46 D47 E48 L96I46-S50 WeakPolarHBondContact CG1-OG 3.5Å; D47-S50 VanDerWaalsContact O-CB 3.23Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.28Å; D47-S50 PolarHBondContact O-OG 3.29Å; E48-S50 PolarHBondContact O-N 3.21Å; S50-L96 VanDerWaalsContact O-CD2 3.26Å; S50-L96 WeakPolarHBondContact O-CD2 3.49Å
51R85.8Confident85.6Confident211 Ų21154.8 Ų54.880%0.79630%0.296SS*.PPolyproline II helixtrans-61.9146.5-172.4-64.7-178.4-177.8-178.81.1111E49 G53 T54E49-R51 PolarHBondContact O-N 3.49Å; R51-G53 PolarHBondContact O-N 2.99Å; R51-T54 PolarHBondContact N-OG1 3.13Å; R51-T54 WeakPolarHBondContact O-CB 3.36Å; R51-T54 PolarHBondContact O-N 2.85Å; R51-T54 PolarHBondContact O-OG1 3.5Å
52N86.9Confident86.3Confident81 Ų8154.3 Ų54.343%0.43329%0.291SS..THydrogen-bonded Turntrans-53.6134.6171.5-176.237.9000111.1L96 N97 S98 T99N52-L96 PolarHBondContact OD1-O 2.9Å; N52-N97 WeakPolarHBondContact OD1-CA 3.43Å; N52-S98 PolarHBondContact OD1-N 2.8Å; N52-T99 WeakPolarHBondContact ND2-CG2 2.99Å
53G84.6Confident86.4Confident39 Ų3957.5 Ų57.540%0.40230%0.304SS..THydrogen-bonded Turntrans86.35.1-175.200000115R51 I55 L96R51-G53 PolarHBondContact O-N 2.99Å; G53-I55 PolarHBondContact O-N 2.88Å; G53-L96 WeakPolarHBondContact CA-O 3.34Å; G53-L96 PolarHBondContact N-O 3.18Å
54T88Confident86.4Confident47 Ų4752.9 Ų52.929%0.28829%0.286SS..  trans-58.8132.6172.8-60.80000110.1I46 R51 L56 F95 L96I46-T54 HydrophobicContact CD1-CG2 3.7Å; R51-T54 PolarHBondContact N-OG1 3.13Å; R51-T54 WeakPolarHBondContact O-CB 3.36Å; R51-T54 PolarHBondContact O-N 2.85Å; R51-T54 PolarHBondContact O-OG1 3.5Å; T54-L56 PolarHBondContact O-N 3.38Å; T54-F95 CarbonylContact O-C 3.17Å; T54-F95 WeakPolarHBondContact O-CA 3.15Å; T54-L96 PolarHBondContact O-N 2.81Å
55I89.1Confident86.2Confident90 Ų9055.3 Ų55.346%0.46230%0.301SS..EExtended strand (participates in β ladder)trans-73.1114.2-179.6-59.5170.7000108.3G53 D58 M93 F95G53-I55 PolarHBondContact O-N 2.88Å; I55-D58 HydrophobicContact CG2-CB 3.98Å; I55-M93 HydrophobicContact CD1-CE 3.87Å; I55-M93 HydrophobicContact CG1-CE 3.96Å; I55-M93 HydrophobicContact CG2-CE 3.94Å; I55-F95 HydrophobicContact CG1-CD1 3.97Å; I55-F95 HydrophobicContact CG1-CE1 3.77Å
56L87.9Confident85.9Confident11 Ų1153.7 Ų53.76%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-82.2-48.5173.6-63.4166.5000109.8V44 I46 T54 V85 L94 F95 L96 I135V44-L56 VanDerWaalsContact CG1-O 3.24Å; V44-L56 WeakPolarHBondContact CG1-O 3.15Å; V44-L56 WeakPolarHBondContact CG2-O 3.36Å; I46-L56 HydrophobicContact CB-CD2 4.34Å; I46-L56 HydrophobicContact CD1-CD2 3.54Å; I46-L56 HydrophobicContact CG2-CD2 4.43Å; T54-L56 PolarHBondContact O-N 3.38Å; L56-V85 HydrophobicContact CD1-CB 4.45Å; L56-V85 HydrophobicContact CD1-CG1 4.05Å; L56-V85 HydrophobicContact CD1-CG2 3.93Å; L56-L94 HydrophobicContact CB-CB 4.05Å; L56-L94 WeakPolarHBondContact CB-O 3.26Å; L56-L94 HydrophobicContact CD1-CB 4.45Å; L56-L94 PolarHBondContact N-O 2.92Å; L56-F95 VanDerWaalsContact CD1-C 3.49Å; L56-L96 HydrophobicContact CD1-CB 4.3Å; L56-L96 HydrophobicContact CD2-CB 4.27Å; L56-L96 HydrophobicContact CG-CB 4.2Å; L56-I135 HydrophobicContact CD1-CD1 3.68Å; L56-I135 HydrophobicContact CD1-CG1 4.48Å; L56-I135 HydrophobicContact CD2-CD1 4.24Å; L56-I135 HydrophobicContact CD2-CG1 4.31Å; L56-I135 HydrophobicContact CD2-CG2 3.93Å; L56-I135 HydrophobicContact CG-CD1 4.49Å
57V86.5Confident85.3Confident11 Ų1154.5 Ų54.57%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-136.9117.6177.9-178.50000107.9T42 V44 M60 M93 L94 V133T42-V57 HydrophobicContact CG2-CG2 4.17Å; V44-V57 HydrophobicContact CG2-CG2 3.67Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; V57-M93 CarbonylContact O-C 3.56Å; V57-M93 VanDerWaalsContact O-CA 3.23Å; V57-M93 WeakPolarHBondContact O-CA 3.46Å; V57-L94 HydrophobicContact CB-CB 4.02Å; V57-L94 HydrophobicContact CB-CD1 4.3Å; V57-L94 HydrophobicContact CB-CG 4.23Å; V57-L94 HydrophobicContact CG2-CB 4.31Å; V57-L94 HydrophobicContact CG2-CD1 4.01Å; V57-L94 HydrophobicContact CG2-CG 4.45Å; V57-L94 PolarHBondContact N-O 2.93Å; V57-L94 VanDerWaalsContact N-O 3.12Å; V57-L94 PolarHBondContact O-N 2.86Å; V57-V133 HydrophobicContact CG2-CG1 4.36Å
58D84.9Confident84.8Confident112 Ų11255.4 Ų55.460%0.59932%0.317SS*.SBendtrans-75.6-27.2179.6-168.533.6000112.5I55 M93I55-D58 HydrophobicContact CG2-CB 3.98Å; D58-M93 WeakPolarHBondContact O-CG 3.4Å; D58-M93 WeakPolarHBondContact OD1-CE 3.47Å
59N85.8Confident84.2Confident74 Ų7461.7 Ų61.740%0.39636%0.357SS..  trans-161.7120.9171.4-167.9-26.3000110.1L61N59-L61 HydrophobicContact CB-CD2 4.42Å; N59-L61 HydrophobicContact CB-CG 4.48Å; N59-L61 PolarHBondContact O-N 3.47Å; N59-L61 WeakPolarHBondContact OD1-CA 3.24Å; N59-L61 PolarHBondContact OD1-N 3.04Å
60M83.9Confident83.9Confident2 Ų263.7 Ų63.71%0.0137%0.371CS..  trans-71-14.2176.5-70.2-177.5-75.100113.7L34 V57 I62 L75 L87 Q92 L94 V118L34-M60 WeakPolarHBondContact CD2-O 3.38Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; M60-I62 VanDerWaalsContact C-N 3.3Å; M60-I62 HydrophobicContact CB-CD1 4.01Å; M60-I62 HydrophobicContact CB-CG1 3.94Å; M60-I62 HydrophobicContact CE-CD1 4.16Å; M60-I62 PolarHBondContact O-N 2.87Å; M60-I62 HydrophobicContact SD-CD1 4.2Å; M60-L75 HydrophobicContact CE-CD1 4.23Å; M60-L87 HydrophobicContact CE-CD1 3.46Å; M60-L87 VanDerWaalsContact CE-CD1 3.46Å; M60-Q92 HydrophobicContact CB-CB 4.3Å; M60-Q92 HydrophobicContact CE-CB 4.03Å; M60-Q92 PolarHBondContact N-O 2.95Å; M60-L94 HydrophobicContact CE-CD2 4.35Å; M60-L94 HydrophobicContact CE-CG 4.48Å; M60-L94 HydrophobicContact SD-CD1 4.06Å; M60-L94 HydrophobicContact SD-CD2 4.42Å; M60-L94 HydrophobicContact SD-CG 4.16Å; M60-V118 HydrophobicContact CE-CG1 3.9Å; M60-V118 HydrophobicContact CE-CG2 4.26Å; M60-V118 HydrophobicContact SD-CB 4.06Å; M60-V118 HydrophobicContact SD-CG1 4Å; M60-V118 HydrophobicContact SD-CG2 3.66Å
61L85.8Confident83.5Confident75 Ų7564.6 Ų64.639%0.39338%0.376SS..  trans5839.7179.7-60.6168.9000112.5L34 A35 R36 N59L34-L61 CarbonylContact C-O 3.59Å; A35-L61 HydrophobicContact CB-CB 4.37Å; A35-L61 WeakPolarHBondContact CB-O 3.32Å; A35-L61 PolarHBondContact N-O 2.89Å; R36-L61 HydrophobicContact CB-CD1 4.34Å; N59-L61 HydrophobicContact CB-CD2 4.42Å; N59-L61 HydrophobicContact CB-CG 4.48Å; N59-L61 PolarHBondContact O-N 3.47Å; N59-L61 WeakPolarHBondContact OD1-CA 3.24Å; N59-L61 PolarHBondContact OD1-N 3.04Å
62I85.9Confident83.4Confident7 Ų755.1 Ų55.14%0.03634%0.342CS..BIsolated β-bridgetrans-79.5128173.3-58.4171.1000108.3L34 M60 G64 I73 L75 Q92 V118 C120L34-I62 HydrophobicContact CD2-CG1 4.05Å; M60-I62 VanDerWaalsContact C-N 3.3Å; M60-I62 HydrophobicContact CB-CD1 4.01Å; M60-I62 HydrophobicContact CB-CG1 3.94Å; M60-I62 HydrophobicContact CE-CD1 4.16Å; M60-I62 PolarHBondContact O-N 2.87Å; M60-I62 HydrophobicContact SD-CD1 4.2Å; I62-G64 PolarHBondContact O-N 2.8Å; I62-I73 HydrophobicContact CG2-CD1 4.07Å; I62-L75 HydrophobicContact CD1-CD1 4.21Å; I62-L75 HydrophobicContact CD1-CD2 3.66Å; I62-L75 HydrophobicContact CG2-CD2 4.47Å; I62-Q92 PolarHBondContact O-NE2 3.42Å; I62-Q92 PolarHBondContact O-OE1 3.15Å; I62-V118 HydrophobicContact CD1-CG1 4.28Å; I62-C120 HydrophobicContact CG2-CB 4.48Å
63K82.3Confident83.4Confident78 Ų7851.3 Ų51.334%0.33932%0.322SS..SBendtrans-65.1132.1176.2-67.6-176.7-174.8-174.90110.6D30 D31 C32 K33 A35D30-K63 HydrophobicContact CB-CD 4.2Å; D30-K63 IonicContact OD2-NZ 3.74Å; D30-K63 PolarHBondContact OD2-NZ 2.86Å; D31-K63 WeakPolarHBondContact CA-O 3.35Å; C32-K63 PolarHBondContact N-O 2.81Å; K33-K63 WeakPolarHBondContact O-CB 3.34Å; K33-K63 WeakPolarHBondContact O-CG 3.45Å; K33-K63 PolarHBondContact O-N 3.45Å; A35-K63 HydrophobicContact CB-CG 4.02Å
64G82.9Confident83.5Confident23 Ų2354.2 Ų54.224%0.23733%0.325CS..SBendtrans119.3162.3-178.500000112.5D31 I62 T72D31-G64 WeakPolarHBondContact OD1-CA 3.41Å; D31-G64 PolarHBondContact OD1-N 2.82Å; I62-G64 PolarHBondContact O-N 2.8Å; G64-T72 WeakPolarHBondContact CA-OG1 3.46Å
65T81.6Confident83.6Confident79 Ų7952.6 Ų52.649%0.48531%0.314SS..  trans-110.6114.6179.249.20000110.1P71 T72 I73T65-P71 CarbonylContact O-C 3.24Å; T65-P71 VanDerWaalsContact O-CA 3.23Å; T65-P71 WeakPolarHBondContact O-CA 3.4Å; T65-T72 PolarHBondContact N-OG1 2.94Å; T65-T72 PolarHBondContact O-N 2.83Å; T65-I73 PolarHBondContact O-N 3Å
66A82.3Confident83.6Confident23 Ų2350 Ų5019%0.1931%0.305CS..SBendtrans-84.2-21.9178.400000113.6P71 I73 P89A66-P71 WeakPolarHBondContact O-CB 3.24Å; A66-I73 WeakPolarHBondContact CA-O 3.16Å; A66-I73 HydrophobicContact CB-CD1 4.45Å; A66-I73 HydrophobicContact CB-CG1 4.03Å; A66-P89 WeakPolarHBondContact CB-O 3.48Å
67G77Confident83.7Confident26 Ų2651.4 Ų51.427%0.26831%0.312SS..SBendtrans-113.3167.2176.600000113.1
68G75.9Confident83.8Confident58 Ų5855.3 Ų55.360%0.59833%0.328SS*.SBendtrans103.5177.1-174.700000113D70G68-D70 VanDerWaalsContact C-N 3.28Å; G68-D70 PolarHBondContact O-N 3.5Å
69P77.6Confident84Confident131 Ų13154.7 Ų54.785%0.85132%0.324SS*.SBendtrans-66.4-26.7-177.224.2-31.7000113.6
70D78.6Confident84.1Confident137 Ų13752.3 Ų52.373%0.73331%0.312SS*.SBendtrans-127.477.1179.5-70.9-44.5000111.5G68 T72G68-D70 VanDerWaalsContact C-N 3.28Å; G68-D70 PolarHBondContact O-N 3.5Å; D70-T72 PolarHBondContact O-N 2.78Å
71P81.5Confident83.8Confident41 Ų4158 Ų5827%0.26635%0.347SS..  trans-69.2131.2179.728-33.2000111.4T65 A66 K123T65-P71 CarbonylContact O-C 3.24Å; T65-P71 VanDerWaalsContact O-CA 3.23Å; T65-P71 WeakPolarHBondContact O-CA 3.4Å; A66-P71 WeakPolarHBondContact O-CB 3.24Å; P71-K123 HydrophobicContact CG-CD 4.33Å
72T83.4Confident83.6Confident13 Ų1358.4 Ų58.48%0.0835%0.349CS..SBendtrans-92-25.5178.971.30000112.9Y28 D31 G64 T65 D70 K123Y28-T72 HydrophobicContact CE1-CG2 4.34Å; D31-T72 WeakPolarHBondContact OD2-CB 3.36Å; D31-T72 PolarHBondContact OD2-OG1 3.41Å; G64-T72 WeakPolarHBondContact CA-OG1 3.46Å; T65-T72 PolarHBondContact N-OG1 2.94Å; T65-T72 PolarHBondContact O-N 2.83Å; D70-T72 PolarHBondContact O-N 2.78Å; T72-K123 PolarHBondContact O-N 2.92Å
73I86.3Confident83.7Confident1 Ų166 Ų661%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-127.2158.1178.161170000111D31 I62 T65 A66 L75 V121D31-I73 HydrophobicContact CB-CG2 3.77Å; I62-I73 HydrophobicContact CG2-CD1 4.07Å; T65-I73 PolarHBondContact O-N 3Å; A66-I73 WeakPolarHBondContact CA-O 3.16Å; A66-I73 HydrophobicContact CB-CD1 4.45Å; A66-I73 HydrophobicContact CB-CG1 4.03Å; I73-L75 HydrophobicContact CD1-CD1 4.48Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.31Å; I73-V121 CarbonylContact C-O 3.49Å; I73-V121 VanDerWaalsContact CA-O 3.31Å; I73-V121 WeakPolarHBondContact CA-O 3.34Å
74E86.8Confident83.9Confident100 Ų10062.8 Ų62.847%0.46736%0.364SS..EExtended strand (participates in β ladder)trans-125.6125.7170.8-167.3169.2163.400108.8C120 V121 K123E74-C120 CarbonylContact O-C 3.43Å; E74-C120 WeakPolarHBondContact O-CA 3.38Å; E74-V121 HydrophobicContact CB-CB 4.28Å; E74-V121 PolarHBondContact N-O 3.17Å; E74-V121 PolarHBondContact O-N 3.31Å; E74-K123 HydrophobicContact CB-CG 4.43Å; E74-K123 WeakPolarHBondContact OE2-CE 3.44Å; E74-K123 IonicContact OE2-NZ 2.88Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å
75L90Very high84.3Confident12 Ų1262 Ų626%0.06335%0.354CS..EExtended strand (participates in β ladder)trans-108.6132179.5-61.9177.7000109.9M60 I62 I73 L87 P89 Q92 V118 Q119 C120M60-L75 HydrophobicContact CE-CD1 4.23Å; I62-L75 HydrophobicContact CD1-CD1 4.21Å; I62-L75 HydrophobicContact CD1-CD2 3.66Å; I62-L75 HydrophobicContact CG2-CD2 4.47Å; I73-L75 HydrophobicContact CD1-CD1 4.48Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.31Å; L75-L87 HydrophobicContact CB-CD2 3.9Å; L75-P89 HydrophobicContact CB-CB 4.03Å; L75-Q92 HydrophobicContact CD1-CB 4.27Å; L75-Q92 HydrophobicContact CD1-CG 3.72Å; L75-V118 HydrophobicContact CB-CG1 4.44Å; L75-V118 HydrophobicContact CD2-CG1 4.1Å; L75-Q119 WeakPolarHBondContact CA-O 3.49Å; L75-C120 HydrophobicContact CD2-CB 3.52Å; L75-C120 VanDerWaalsContact CD2-SG 3.6Å
76S89.3Confident84.6Confident37 Ų3762.3 Ų62.326%0.25935%0.353SS..EExtended strand (participates in β ladder)trans-139.4151.8173.565.20000111Q119S76-Q119 PolarHBondContact N-O 2.93Å; S76-Q119 PolarHBondContact O-N 2.93Å; S76-Q119 PolarHBondContact OG-OE1 3.41Å
77L90.5Very high85.1Confident39 Ų3962.9 Ų62.920%0.20435%0.352CS..EExtended strand (participates in β ladder)trans-86140.3172.6-10796000111.9N80 V85 L87 L94 V116 V118L77-N80 HydrophobicContact CD2-CB 3.89Å; L77-V85 HydrophobicContact CD1-CG1 4.46Å; L77-V85 HydrophobicContact CD2-CB 3.66Å; L77-V85 HydrophobicContact CD2-CG1 3.75Å; L77-L87 HydrophobicContact CD1-CB 3.09Å; L77-L87 HydrophobicContact CD1-CD2 3.75Å; L77-L87 HydrophobicContact CD1-CG 3.96Å; L77-L94 HydrophobicContact CD1-CD2 3.88Å; L77-V116 HydrophobicContact CD2-CB 3.87Å; L77-V116 HydrophobicContact CD2-CG1 3.98Å; L77-V116 HydrophobicContact CD2-CG2 4.05Å; L77-V118 HydrophobicContact CD1-CG2 4.37Å; L77-V118 HydrophobicContact CG-CG2 4.49Å
78K88.6Confident85.7Confident93 Ų9363.6 Ų63.640%0.40435%0.35SS..EExtended strand (participates in β ladder)trans-126.6159.7170.5-62-61.5178.3-1720109.5N80 Q117 Q119 Y130K78-N80 PolarHBondContact O-N 3.48Å; K78-N80 VanDerWaalsContact O-N 3.11Å; K78-Q117 WeakPolarHBondContact CA-O 3.31Å; K78-Q117 HydrophobicContact CB-CB 4.15Å; K78-Q117 PolarHBondContact N-O 3.08Å; K78-Q117 PolarHBondContact O-N 3.14Å; K78-Q119 HydrophobicContact CG-CB 3.99Å; K78-Y130 HydrophobicContact CG-CE1 4.44Å
79D87.7Confident86.3Confident99 Ų9963.2 Ų63.253%0.52934%0.337SS..  trans57.122.8179-52.9-22.2000115.3V81D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 3.16Å
80N88.2Confident86.7Confident25 Ų2561.6 Ų61.613%0.13433%0.325CS..  trans-85.964.7177.2-165.616.7000110.8L77 K78 D82 Y83 W84 V85 V116L77-N80 HydrophobicContact CD2-CB 3.89Å; K78-N80 PolarHBondContact O-N 3.48Å; K78-N80 VanDerWaalsContact O-N 3.11Å; N80-D82 PolarHBondContact O-N 3.18Å; N80-Y83 WeakPolarHBondContact ND2-CA 3.39Å; N80-Y83 PolarHBondContact O-N 3.03Å; N80-Y83 WeakPolarHBondContact OD1-CA 3.48Å; N80-W84 PolarHBondContact OD1-N 3.13Å; N80-V85 PolarHBondContact ND2-O 3.41Å; N80-V85 PolarHBondContact OD1-N 2.89Å; N80-V116 HydrophobicContact CB-CG1 4.02Å
81V78.1Confident87.1Confident122 Ų12261.1 Ų61.174%0.73932%0.316SS*.THydrogen-bonded Turntrans-56.1-24.5-164.4-178.20000113.8D79D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 3.16Å
82D81.5Confident87.4Confident83 Ų8359.9 Ų59.944%0.44431%0.307SS..THydrogen-bonded Turntrans-124.314.7177.7-71.2-54.6000113.7N80 W84 R101N80-D82 PolarHBondContact O-N 3.18Å; D82-W84 HydrophobicContact CB-CG 4.43Å; D82-W84 PolarHBondContact O-N 2.95Å; D82-R101 PolarHBondContact O-NH1 2.9Å; D82-R101 PolarHBondContact O-NH2 2.84Å
83Y87.3Confident87.8Confident165 Ų16560 Ų6065%0.64731%0.307SS*.  trans57.730-178.9-54.7-85.4000115N80 V85 N97N80-Y83 WeakPolarHBondContact ND2-CA 3.39Å; N80-Y83 PolarHBondContact O-N 3.03Å; N80-Y83 WeakPolarHBondContact OD1-CA 3.48Å; Y83-V85 PolarHBondContact O-N 2.95Å; Y83-N97 WeakPolarHBondContact O-CB 3.42Å; Y83-N97 PolarHBondContact O-ND2 2.92Å
84W87.1Confident88Confident12 Ų1260 Ų605%0.04531%0.306CS..  trans-65.7-20.3178.5-74.5116.7000113.9N80 D82 L96 N97 R101 V102 L103 I111 I114N80-W84 PolarHBondContact OD1-N 3.13Å; D82-W84 HydrophobicContact CB-CG 4.43Å; D82-W84 PolarHBondContact O-N 2.95Å; W84-L96 HydrophobicContact CE3-CD1 4.38Å; W84-N97 PolarHBondContact O-N 2.91Å; W84-R101 HydrophobicContact CH2-CB 3.82Å; W84-R101 HydrophobicContact CZ3-CB 4.26Å; W84-V102 WeakPolarHBondContact CH2-O 3.33Å; W84-L103 HydrophobicContact CE3-CD1 4.44Å; W84-L103 HydrophobicContact CZ3-CB 4.13Å; W84-L103 HydrophobicContact CZ3-CD1 4.43Å; W84-I111 HydrophobicContact CH2-CD1 4.28Å; W84-I111 HydrophobicContact CZ2-CD1 3.51Å; W84-I114 HydrophobicContact CB-CD1 3.75Å; W84-I114 HydrophobicContact CB-CG1 4.44Å; W84-I114 HydrophobicContact CB-CG2 4.18Å; W84-I114 HydrophobicContact CD2-CD1 4.24Å; W84-I114 HydrophobicContact CG-CD1 3.74Å; W84-I114 HydrophobicContact CG-CG1 4.32Å
85V90.1Very high88.2Confident5 Ų557.5 Ų57.53%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-117.6130-176.9-176.20000110.8L56 L77 N80 Y83 L94 F95 I114 V116 I135L56-V85 HydrophobicContact CD1-CB 4.45Å; L56-V85 HydrophobicContact CD1-CG1 4.05Å; L56-V85 HydrophobicContact CD1-CG2 3.93Å; L77-V85 HydrophobicContact CD1-CG1 4.46Å; L77-V85 HydrophobicContact CD2-CB 3.66Å; L77-V85 HydrophobicContact CD2-CG1 3.75Å; N80-V85 PolarHBondContact ND2-O 3.41Å; N80-V85 PolarHBondContact OD1-N 2.89Å; Y83-V85 PolarHBondContact O-N 2.95Å; V85-L94 HydrophobicContact CG1-CB 3.98Å; V85-L94 HydrophobicContact CG1-CD1 4.33Å; V85-L94 HydrophobicContact CG1-CD2 3.81Å; V85-L94 HydrophobicContact CG1-CG 4.26Å; V85-F95 WeakPolarHBondContact CA-O 3.03Å; V85-I114 HydrophobicContact CG2-CG2 4.22Å; V85-V116 HydrophobicContact CB-CG1 4.26Å; V85-V116 HydrophobicContact CB-CG2 4.45Å; V85-V116 HydrophobicContact CG1-CG2 4.43Å; V85-V116 HydrophobicContact CG2-CG1 3.85Å; V85-V116 HydrophobicContact CG2-CG2 4.1Å; V85-I135 HydrophobicContact CG2-CD1 3.49Å; V85-I135 VanDerWaalsContact CG2-CD1 3.49Å
86L89.8Confident88.2Confident86 Ų8656.9 Ų56.945%0.4529%0.291SS..EExtended strand (participates in β ladder)trans-102.3137.6167.1-78.7162.8000109.6L94 F95 N97L86-L94 CarbonylContact O-C 3.57Å; L86-L94 WeakPolarHBondContact O-CA 3.49Å; L86-F95 HydrophobicContact CB-CB 4.34Å; L86-F95 PolarHBondContact N-O 3.08Å; L86-F95 PolarHBondContact O-N 2.96Å; L86-N97 HydrophobicContact CB-CB 4.47Å; L86-N97 HydrophobicContact CD1-CB 3.66Å; L86-N97 HydrophobicContact CG-CB 3.66Å
87L91.3Very high88.1Confident35 Ų3556.1 Ų56.118%0.18328%0.284CS..EExtended strand (participates in β ladder)trans-109.8127.2174165.371.2000110.3M60 L75 L77 P89 M93 L94M60-L87 HydrophobicContact CE-CD1 3.46Å; M60-L87 VanDerWaalsContact CE-CD1 3.46Å; L75-L87 HydrophobicContact CB-CD2 3.9Å; L77-L87 HydrophobicContact CD1-CB 3.09Å; L77-L87 HydrophobicContact CD1-CD2 3.75Å; L77-L87 HydrophobicContact CD1-CG 3.96Å; L87-P89 HydrophobicContact CD2-CB 4.41Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 VanDerWaalsContact O-CD 3.24Å; L87-P89 WeakPolarHBondContact O-CD 3.43Å; L87-M93 WeakPolarHBondContact CA-O 3.18Å; L87-L94 HydrophobicContact CB-CD2 3.84Å; L87-L94 HydrophobicContact CD1-CD2 3.72Å; L87-L94 HydrophobicContact CG-CD2 4.38Å
88D91Very high87.7Confident42 Ų4254.9 Ų54.923%0.22528%0.279CS..EExtended strand (participates in β ladder)trans-90.6101.5157.3179.6-17000107.5V90 K91 Q92 M93 F95D88-V90 PolarHBondContact O-N 3.09Å; D88-V90 PolarHBondContact OD1-N 2.99Å; D88-K91 HydrophobicContact CB-CB 4.44Å; D88-K91 PolarHBondContact O-N 2.87Å; D88-K91 PolarHBondContact OD1-N 3.34Å; D88-K91 VanDerWaalsContact OD1-N 3.13Å; D88-K91 VanDerWaalsContact OD2-CD 3.31Å; D88-K91 WeakPolarHBondContact OD2-CD 3.06Å; D88-K91 WeakPolarHBondContact OD2-CG 3.41Å; D88-Q92 VanDerWaalsContact O-CA 3.31Å; D88-Q92 WeakPolarHBondContact O-CA 3.32Å; D88-Q92 PolarHBondContact O-N 3.34Å; D88-M93 HydrophobicContact CB-CB 4.25Å; D88-M93 PolarHBondContact N-O 2.8Å; D88-M93 PolarHBondContact O-N 3.43Å; D88-M93 VanDerWaalsContact O-N 3.14Å; D88-F95 HydrophobicContact CB-CE2 3.97Å
89P87.2Confident87.2Confident50 Ų5054.3 Ų54.333%0.32528%0.283SS..THydrogen-bonded Turntrans-67.1-27.8-175.725.6-32.9000112A66 L75 L87A66-P89 WeakPolarHBondContact CB-O 3.48Å; L75-P89 HydrophobicContact CB-CB 4.03Å; L87-P89 HydrophobicContact CD2-CB 4.41Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 VanDerWaalsContact O-CD 3.24Å; L87-P89 WeakPolarHBondContact O-CD 3.43Å
90V86.4Confident86.8Confident96 Ų9653.7 Ų53.758%0.58230%0.3SS*.THydrogen-bonded Turntrans-72.2-44.1-177.9178.90000110.6D88D88-V90 PolarHBondContact O-N 3.09Å; D88-V90 PolarHBondContact OD1-N 2.99Å
91K86.8Confident86.7Confident128 Ų12857 Ų5756%0.55731%0.311SS*.THydrogen-bonded Turntrans-86.8-9177.1-62.9-175.8-171.91690113.7D88 M93D88-K91 HydrophobicContact CB-CB 4.44Å; D88-K91 PolarHBondContact O-N 2.87Å; D88-K91 PolarHBondContact OD1-N 3.34Å; D88-K91 VanDerWaalsContact OD1-N 3.13Å; D88-K91 VanDerWaalsContact OD2-CD 3.31Å; D88-K91 WeakPolarHBondContact OD2-CD 3.06Å; D88-K91 WeakPolarHBondContact OD2-CG 3.41Å; K91-M93 HydrophobicContact CB-CB 4.25Å; K91-M93 HydrophobicContact CB-CG 3.77Å; K91-M93 HydrophobicContact CB-SD 3.91Å; K91-M93 HydrophobicContact CD-SD 3.71Å; K91-M93 HydrophobicContact CG-SD 4.49Å; K91-M93 PolarHBondContact O-N 3.3Å
92Q88.2Confident86.9Confident15 Ų1555.1 Ų55.17%0.0730%0.299CS..THydrogen-bonded Turntrans55.336.3-170.7-47.1-172.4200112.5M60 I62 L75 D88M60-Q92 HydrophobicContact CB-CB 4.3Å; M60-Q92 HydrophobicContact CE-CB 4.03Å; M60-Q92 PolarHBondContact N-O 2.95Å; I62-Q92 PolarHBondContact O-NE2 3.42Å; I62-Q92 PolarHBondContact O-OE1 3.15Å; L75-Q92 HydrophobicContact CD1-CB 4.27Å; L75-Q92 HydrophobicContact CD1-CG 3.72Å; D88-Q92 VanDerWaalsContact O-CA 3.31Å; D88-Q92 WeakPolarHBondContact O-CA 3.32Å; D88-Q92 PolarHBondContact O-N 3.34Å
93M91.1Very high87.2Confident15 Ų1551.1 Ų51.17%0.07428%0.278CS..EExtended strand (participates in β ladder)trans-98.6141.3-178.8-77.4178.978.100111I55 V57 D58 L87 D88 K91 F95I55-M93 HydrophobicContact CD1-CE 3.87Å; I55-M93 HydrophobicContact CG1-CE 3.96Å; I55-M93 HydrophobicContact CG2-CE 3.94Å; V57-M93 CarbonylContact O-C 3.56Å; V57-M93 VanDerWaalsContact O-CA 3.23Å; V57-M93 WeakPolarHBondContact O-CA 3.46Å; D58-M93 WeakPolarHBondContact O-CG 3.4Å; D58-M93 WeakPolarHBondContact OD1-CE 3.47Å; L87-M93 WeakPolarHBondContact CA-O 3.18Å; D88-M93 HydrophobicContact CB-CB 4.25Å; D88-M93 PolarHBondContact N-O 2.8Å; D88-M93 PolarHBondContact O-N 3.43Å; D88-M93 VanDerWaalsContact O-N 3.14Å; K91-M93 HydrophobicContact CB-CB 4.25Å; K91-M93 HydrophobicContact CB-CG 3.77Å; K91-M93 HydrophobicContact CB-SD 3.91Å; K91-M93 HydrophobicContact CD-SD 3.71Å; K91-M93 HydrophobicContact CG-SD 4.49Å; K91-M93 PolarHBondContact O-N 3.3Å; M93-F95 HydrophobicContact CB-CD2 4.36Å; M93-F95 HydrophobicContact CB-CE2 3.61Å; M93-F95 HydrophobicContact CB-CZ 3.88Å; M93-F95 HydrophobicContact CE-CE1 3.46Å; M93-F95 VanDerWaalsContact CE-CE1 3.46Å; M93-F95 HydrophobicContact CE-CE2 4.18Å; M93-F95 HydrophobicContact CE-CZ 3.25Å; M93-F95 HydrophobicContact CG-CZ 4.42Å; M93-F95 HydrophobicContact SD-CE2 4.37Å; M93-F95 HydrophobicContact SD-CZ 3.74Å
94L91.4Very high87.2Confident0 Ų045.2 Ų45.20%026%0.257CS..EExtended strand (participates in β ladder)trans-110131.2169.4-60.6-179.8000109.6L56 V57 M60 L77 V85 L86 L87 V118 V133L56-L94 HydrophobicContact CB-CB 4.05Å; L56-L94 WeakPolarHBondContact CB-O 3.26Å; L56-L94 HydrophobicContact CD1-CB 4.45Å; L56-L94 PolarHBondContact N-O 2.92Å; V57-L94 HydrophobicContact CB-CB 4.02Å; V57-L94 HydrophobicContact CB-CD1 4.3Å; V57-L94 HydrophobicContact CB-CG 4.23Å; V57-L94 HydrophobicContact CG2-CB 4.31Å; V57-L94 HydrophobicContact CG2-CD1 4.01Å; V57-L94 HydrophobicContact CG2-CG 4.45Å; V57-L94 PolarHBondContact N-O 2.93Å; V57-L94 VanDerWaalsContact N-O 3.12Å; V57-L94 PolarHBondContact O-N 2.86Å; M60-L94 HydrophobicContact CE-CD2 4.35Å; M60-L94 HydrophobicContact CE-CG 4.48Å; M60-L94 HydrophobicContact SD-CD1 4.06Å; M60-L94 HydrophobicContact SD-CD2 4.42Å; M60-L94 HydrophobicContact SD-CG 4.16Å; L77-L94 HydrophobicContact CD1-CD2 3.88Å; V85-L94 HydrophobicContact CG1-CB 3.98Å; V85-L94 HydrophobicContact CG1-CD1 4.33Å; V85-L94 HydrophobicContact CG1-CD2 3.81Å; V85-L94 HydrophobicContact CG1-CG 4.26Å; L86-L94 CarbonylContact O-C 3.57Å; L86-L94 WeakPolarHBondContact O-CA 3.49Å; L87-L94 HydrophobicContact CB-CD2 3.84Å; L87-L94 HydrophobicContact CD1-CD2 3.72Å; L87-L94 HydrophobicContact CG-CD2 4.38Å; L94-V118 HydrophobicContact CD1-CG2 4.41Å; L94-V118 HydrophobicContact CD2-CG2 4.32Å; L94-V133 HydrophobicContact CD1-CB 4.23Å; L94-V133 HydrophobicContact CD1-CG1 3.95Å; L94-V133 HydrophobicContact CD1-CG2 3.86Å
95F90.6Very high87.3Confident48 Ų4846.2 Ų46.221%0.21126%0.261CS..EExtended strand (participates in β ladder)trans-118.9145.7176.5-57.5-89.3000110T54 I55 L56 V85 L86 D88 M93T54-F95 CarbonylContact O-C 3.17Å; T54-F95 WeakPolarHBondContact O-CA 3.15Å; I55-F95 HydrophobicContact CG1-CD1 3.97Å; I55-F95 HydrophobicContact CG1-CE1 3.77Å; L56-F95 VanDerWaalsContact CD1-C 3.49Å; V85-F95 WeakPolarHBondContact CA-O 3.03Å; L86-F95 HydrophobicContact CB-CB 4.34Å; L86-F95 PolarHBondContact N-O 3.08Å; L86-F95 PolarHBondContact O-N 2.96Å; D88-F95 HydrophobicContact CB-CE2 3.97Å; M93-F95 HydrophobicContact CB-CD2 4.36Å; M93-F95 HydrophobicContact CB-CE2 3.61Å; M93-F95 HydrophobicContact CB-CZ 3.88Å; M93-F95 HydrophobicContact CE-CE1 3.46Å; M93-F95 VanDerWaalsContact CE-CE1 3.46Å; M93-F95 HydrophobicContact CE-CE2 4.18Å; M93-F95 HydrophobicContact CE-CZ 3.25Å; M93-F95 HydrophobicContact CG-CZ 4.42Å; M93-F95 HydrophobicContact SD-CE2 4.37Å; M93-F95 HydrophobicContact SD-CZ 3.74Å
96L90.1Very high87.2Confident0 Ų046.2 Ų46.20%026%0.261CS..EExtended strand (participates in β ladder)trans-69131168.6-178.968000109.2I46 S50 N52 G53 T54 L56 W84 S98 L103I46-L96 HydrophobicContact CD1-CB 4.24Å; I46-L96 HydrophobicContact CD1-CD2 3.8Å; I46-L96 HydrophobicContact CD1-CG 4.49Å; S50-L96 VanDerWaalsContact O-CD2 3.26Å; S50-L96 WeakPolarHBondContact O-CD2 3.49Å; N52-L96 PolarHBondContact OD1-O 2.9Å; G53-L96 WeakPolarHBondContact CA-O 3.34Å; G53-L96 PolarHBondContact N-O 3.18Å; T54-L96 PolarHBondContact O-N 2.81Å; L56-L96 HydrophobicContact CD1-CB 4.3Å; L56-L96 HydrophobicContact CD2-CB 4.27Å; L56-L96 HydrophobicContact CG-CB 4.2Å; W84-L96 HydrophobicContact CE3-CD1 4.38Å; L96-S98 WeakPolarHBondContact CD2-OG 3.49Å; L96-S98 WeakPolarHBondContact CG-OG 3.36Å; L96-L103 HydrophobicContact CD1-CD2 4.07Å; L96-L103 HydrophobicContact CD2-CD2 4.21Å
97N88.2Confident86.8Confident20 Ų2045.5 Ų45.511%0.10726%0.261CS..  trans-114.288.4177.6-175.430.1000110.8N52 Y83 W84 L86 T99N52-N97 WeakPolarHBondContact OD1-CA 3.43Å; Y83-N97 WeakPolarHBondContact O-CB 3.42Å; Y83-N97 PolarHBondContact O-ND2 2.92Å; W84-N97 PolarHBondContact O-N 2.91Å; L86-N97 HydrophobicContact CB-CB 4.47Å; L86-N97 HydrophobicContact CD1-CB 3.66Å; L86-N97 HydrophobicContact CG-CB 3.66Å; N97-T99 PolarHBondContact OD1-OG1 2.93Å
98S80.8Confident86.2Confident14 Ų1449.9 Ų49.910%0.09829%0.292CS..  trans-107.234.7-179.6-66.80000111N52 L96 G100 R101N52-S98 PolarHBondContact OD1-N 2.8Å; L96-S98 WeakPolarHBondContact CD2-OG 3.49Å; L96-S98 WeakPolarHBondContact CG-OG 3.36Å; S98-G100 PolarHBondContact O-N 2.86Å; S98-R101 CarbonylContact C-O 3.58Å; S98-R101 VanDerWaalsContact CB-O 3.26Å; S98-R101 WeakPolarHBondContact CB-O 3.4Å; S98-R101 PolarHBondContact O-N 3.31Å
99T79.5Confident85.8Confident81 Ų8152.8 Ų52.850%0.49731%0.306SS..THydrogen-bonded Turntrans-65.6109177.546.50000110.9N52 N97 R101N52-T99 WeakPolarHBondContact ND2-CG2 2.99Å; N97-T99 PolarHBondContact OD1-OG1 2.93Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 2.9Å
100G78.8Confident85.6Confident86 Ų8654.2 Ų54.289%0.88731%0.311SS*.THydrogen-bonded Turntrans766176.800000115.3S98S98-G100 PolarHBondContact O-N 2.86Å
101R84.6Confident85.6Confident94 Ų9450.9 Ų50.936%0.35529%0.289SS..SBendtrans-137.6142.5178.1-68176.9-71.3171.64.4108.7D82 W84 S98 T99D82-R101 PolarHBondContact O-NH1 2.9Å; D82-R101 PolarHBondContact O-NH2 2.84Å; W84-R101 HydrophobicContact CH2-CB 3.82Å; W84-R101 HydrophobicContact CZ3-CB 4.26Å; S98-R101 CarbonylContact C-O 3.58Å; S98-R101 VanDerWaalsContact CB-O 3.26Å; S98-R101 WeakPolarHBondContact CB-O 3.4Å; S98-R101 PolarHBondContact O-N 3.31Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 2.9Å
102V83.3Confident85.5Confident82 Ų8249 Ų4950%0.49728%0.282SS..  trans-94.5133.8175.5-176.20000107.6E49 W84 D104E49-V102 HydrophobicContact CB-CG1 4.2Å; E49-V102 HydrophobicContact CG-CG1 3.87Å; W84-V102 WeakPolarHBondContact CH2-O 3.33Å; V102-D104 PolarHBondContact O-N 2.86Å
103L87.2Confident85.5Confident0 Ų051.6 Ų51.60%030%0.302CS..  trans-74.5103.8170.5176.565.1000106I46 E48 E49 W84 L96 I111 I114 V137I46-L103 HydrophobicContact CG2-CD2 3.92Å; E48-L103 CarbonylContact C-O 3.56Å; E48-L103 WeakPolarHBondContact CA-O 3.46Å; E48-L103 WeakPolarHBondContact CB-O 3.33Å; E49-L103 PolarHBondContact N-O 2.58Å; W84-L103 HydrophobicContact CE3-CD1 4.44Å; W84-L103 HydrophobicContact CZ3-CB 4.13Å; W84-L103 HydrophobicContact CZ3-CD1 4.43Å; L96-L103 HydrophobicContact CD1-CD2 4.07Å; L96-L103 HydrophobicContact CD2-CD2 4.21Å; L103-I111 HydrophobicContact CD1-CB 4.34Å; L103-I111 HydrophobicContact CD1-CD1 4.34Å; L103-I111 HydrophobicContact CD1-CG2 3.9Å; L103-I114 HydrophobicContact CD1-CD1 3.63Å; L103-V137 HydrophobicContact CD1-CG2 4.04Å; L103-V137 HydrophobicContact CD2-CG1 4.12Å; L103-V137 HydrophobicContact CD2-CG2 4.05Å; L103-V137 HydrophobicContact CG-CG1 4.15Å; L103-V137 HydrophobicContact CG-CG2 4.26Å
104D88.3Confident85.3Confident40 Ų4051.5 Ų51.521%0.21430%0.302CS..  trans-123.6120.4-170.4179.23.7000108V102 D106 M109 I111V102-D104 PolarHBondContact O-N 2.86Å; D104-D106 VanDerWaalsContact C-N 3.34Å; D104-D106 PolarHBondContact OD1-N 2.84Å; D104-M109 HydrophobicContact CB-CB 4.1Å; D104-M109 HydrophobicContact CB-CG 4.31Å; D104-I111 WeakPolarHBondContact O-CB 3.44Å; D104-I111 WeakPolarHBondContact O-CG1 3.36Å; D104-I111 PolarHBondContact O-N 2.82Å
105R88.4Confident85.2Confident34 Ų3454.4 Ų54.413%0.12832%0.319CS..  trans-83.1-19.6-177.9-170.7171.8178.9-92.3-2.8110.8E48 N110 V137 D139 D181E48-R105 HydrophobicContact CB-CB 4.23Å; E48-R105 WeakPolarHBondContact OE2-CA 3.22Å; E48-R105 WeakPolarHBondContact OE2-CB 3.24Å; E48-R105 PolarHBondContact OE2-N 2.81Å; R105-N110 CarbonylContact O-C 3.49Å; R105-N110 VanDerWaalsContact O-CA 3.27Å; R105-N110 WeakPolarHBondContact O-CA 3.37Å; R105-N110 PolarHBondContact O-OD1 3.23Å; R105-V137 HydrophobicContact CB-CG1 4.05Å; R105-V137 VanDerWaalsContact CD-O 3.29Å; R105-V137 WeakPolarHBondContact CD-O 3.16Å; R105-V137 HydrophobicContact CG-CG1 4.47Å; R105-V137 PolarHBondContact NE-O 3.04Å; R105-V137 VanDerWaalsContact NE-O 3.08Å; R105-D139 IonicContact NH1-OD1 2.69Å; R105-D139 PolarHBondContact NH1-OD1 2.73Å; R105-D181 IonicContact CZ-OD2 2.84Å; R105-D181 IonicContact NH1-OD2 2.77Å; R105-D181 PolarHBondContact NH1-OD2 2.86Å; R105-D181 VanDerWaalsContact NH1-OD2 3.15Å; R105-D181 IonicContact NH2-OD2 2.8Å; R105-D181 PolarHBondContact NH2-OD2 2.76Å
106D88.5Confident85.2Confident4 Ų452.1 Ų52.12%0.02131%0.309CS..SBendtrans-87.7158.1-171.8-59.9-37.6000112.8D104 M109 N110 N143 I179D104-D106 VanDerWaalsContact C-N 3.34Å; D104-D106 PolarHBondContact OD1-N 2.84Å; D106-M109 PolarHBondContact O-N 3.39Å; D106-N110 PolarHBondContact O-N 3.33Å; D106-N143 PolarHBondContact OD2-ND2 2.88Å; D106-I179 HydrophobicContact CB-CD1 4.04Å; D106-I179 HydrophobicContact CB-CG1 4.32Å
107P81.5Confident85.2Confident71 Ų7154.6 Ų54.646%0.46132%0.321SS..THydrogen-bonded Turntrans-60.3137.3172.7-21.233.2000111.2
108P78.6Confident85.2Confident128 Ų12853.6 Ų53.683%0.83132%0.316SS*.THydrogen-bonded Turncis-93.5-7.915.735-35.5000115
109M81.8Confident85.7Confident102 Ų10254.4 Ų54.450%0.50232%0.318SS..THydrogen-bonded Turntrans-72.9-39.8-175.6-69.8-62.6-62.900112D104 D106 I111D104-M109 HydrophobicContact CB-CB 4.1Å; D104-M109 HydrophobicContact CB-CG 4.31Å; D106-M109 PolarHBondContact O-N 3.39Å; M109-I111 HydrophobicContact CB-CG1 4.34Å; M109-I111 HydrophobicContact CE-CD1 4.03Å; M109-I111 WeakPolarHBondContact O-CG1 3.46Å; M109-I111 PolarHBondContact O-N 2.84Å
110N83.7Confident86.2Confident81 Ų8150.5 Ų50.543%0.43329%0.294SS..  trans5342.7168.9-152.121.1000115R105 D106 H112R105-N110 CarbonylContact O-C 3.49Å; R105-N110 VanDerWaalsContact O-CA 3.27Å; R105-N110 WeakPolarHBondContact O-CA 3.37Å; R105-N110 PolarHBondContact O-OD1 3.23Å; D106-N110 PolarHBondContact O-N 3.33Å; N110-H112 PolarHBondContact O-N 2.93Å; N110-H112 PolarHBondContact OD1-CE1 2.94Å; N110-H112 PolarHBondContact OD1-NE2 3.2Å
111I86.4Confident86.6Confident26 Ų2648.3 Ų48.313%0.13326%0.263CS..  trans-89.581.9-174.3-49.8176.3000110.7W84 L103 D104 M109 I114 V137W84-I111 HydrophobicContact CH2-CD1 4.28Å; W84-I111 HydrophobicContact CZ2-CD1 3.51Å; L103-I111 HydrophobicContact CD1-CB 4.34Å; L103-I111 HydrophobicContact CD1-CD1 4.34Å; L103-I111 HydrophobicContact CD1-CG2 3.9Å; D104-I111 WeakPolarHBondContact O-CB 3.44Å; D104-I111 WeakPolarHBondContact O-CG1 3.36Å; D104-I111 PolarHBondContact O-N 2.82Å; M109-I111 HydrophobicContact CB-CG1 4.34Å; M109-I111 HydrophobicContact CE-CD1 4.03Å; M109-I111 WeakPolarHBondContact O-CG1 3.46Å; M109-I111 PolarHBondContact O-N 2.84Å; I111-I114 HydrophobicContact CG2-CD1 4.37Å; I111-I114 HydrophobicContact CG2-CG1 3.98Å; I111-V137 WeakPolarHBondContact O-CB 3.34Å; I111-V137 VanDerWaalsContact O-CG2 3.28Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å
112H84.9Confident86.7Confident87 Ų8743.8 Ų43.840%0.40325%0.246SC..  trans-73.6-33.1178.8-59.1-58.1000114.5N110 V137N110-H112 PolarHBondContact O-N 2.93Å; N110-H112 PolarHBondContact OD1-CE1 2.94Å; N110-H112 PolarHBondContact OD1-NE2 3.2Å; H112-V137 PolarHBondContact O-N 2.85Å
113S87.7Confident86.7Confident71 Ų7145.2 Ų45.250%0.49725%0.246SC..EExtended strand (participates in β ladder)trans-154.6141.8-17869.80000112.8I135S113-I135 CarbonylContact C-O 3.59Å; S113-I135 WeakPolarHBondContact CA-O 3.48Å
114I87.8Confident86.2Confident13 Ų1350.7 Ų50.77%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-110.7123.4173.4-62157.1000108.1W84 V85 L103 I111 V116 I135W84-I114 HydrophobicContact CB-CD1 3.75Å; W84-I114 HydrophobicContact CB-CG1 4.44Å; W84-I114 HydrophobicContact CB-CG2 4.18Å; W84-I114 HydrophobicContact CD2-CD1 4.24Å; W84-I114 HydrophobicContact CG-CD1 3.74Å; W84-I114 HydrophobicContact CG-CG1 4.32Å; V85-I114 HydrophobicContact CG2-CG2 4.22Å; L103-I114 HydrophobicContact CD1-CD1 3.63Å; I111-I114 HydrophobicContact CG2-CD1 4.37Å; I111-I114 HydrophobicContact CG2-CG1 3.98Å; I114-V116 HydrophobicContact CG2-CG1 4.1Å; I114-I135 HydrophobicContact CB-CB 4.2Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.14Å; I114-I135 PolarHBondContact N-O 3.38Å; I114-I135 PolarHBondContact O-N 3.1Å
115V88.9Confident85.8Confident60 Ų6052.4 Ų52.436%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-113.6121177.1-173.30000108.7E132 V133 R134V115-E132 HydrophobicContact CG1-CG 3.76Å; V115-V133 WeakPolarHBondContact CA-O 3.16Å; V115-R134 HydrophobicContact CG1-CG 4.2Å; V115-R134 HydrophobicContact CG2-CG 4.06Å
116V90.3Very high85.3Confident0 Ų053.1 Ų53.10%030%0.299CS..EExtended strand (participates in β ladder)trans-125.9151.2175.9-640000110.3L77 N80 V85 I114 V133L77-V116 HydrophobicContact CD2-CB 3.87Å; L77-V116 HydrophobicContact CD2-CG1 3.98Å; L77-V116 HydrophobicContact CD2-CG2 4.05Å; N80-V116 HydrophobicContact CB-CG1 4.02Å; V85-V116 HydrophobicContact CB-CG1 4.26Å; V85-V116 HydrophobicContact CB-CG2 4.45Å; V85-V116 HydrophobicContact CG1-CG2 4.43Å; V85-V116 HydrophobicContact CG2-CG1 3.85Å; V85-V116 HydrophobicContact CG2-CG2 4.1Å; I114-V116 HydrophobicContact CG2-CG1 4.1Å; V116-V133 HydrophobicContact CG2-CB 3.93Å; V116-V133 PolarHBondContact N-O 3.1Å; V116-V133 PolarHBondContact O-N 2.77Å
117Q89.9Confident85.1Confident52 Ų5255.7 Ų55.724%0.24332%0.315CS..EExtended strand (participates in β ladder)trans-109.6126.2173.2-70.6-161.6-6.300110.4K78 H131K78-Q117 WeakPolarHBondContact CA-O 3.31Å; K78-Q117 HydrophobicContact CB-CB 4.15Å; K78-Q117 PolarHBondContact N-O 3.08Å; K78-Q117 PolarHBondContact O-N 3.14Å; Q117-H131 CarbonylContact C-O 3.56Å; Q117-H131 WeakPolarHBondContact CA-O 3.44Å
118V89.3Confident85.3Confident0 Ų055.2 Ų55.20%031%0.311CS..EExtended strand (participates in β ladder)trans-92.3109170.1178.70000108.1M60 I62 L75 L77 L94 H131 V133M60-V118 HydrophobicContact CE-CG1 3.9Å; M60-V118 HydrophobicContact CE-CG2 4.26Å; M60-V118 HydrophobicContact SD-CB 4.06Å; M60-V118 HydrophobicContact SD-CG1 4Å; M60-V118 HydrophobicContact SD-CG2 3.66Å; I62-V118 HydrophobicContact CD1-CG1 4.28Å; L75-V118 HydrophobicContact CB-CG1 4.44Å; L75-V118 HydrophobicContact CD2-CG1 4.1Å; L77-V118 HydrophobicContact CD1-CG2 4.37Å; L77-V118 HydrophobicContact CG-CG2 4.49Å; L94-V118 HydrophobicContact CD1-CG2 4.41Å; L94-V118 HydrophobicContact CD2-CG2 4.32Å; V118-H131 HydrophobicContact CB-CB 4.44Å; V118-H131 PolarHBondContact N-O 2.78Å; V118-H131 PolarHBondContact O-N 3.45Å; V118-V133 HydrophobicContact CG2-CG2 4.42Å
119Q90.3Very high85.7Confident30 Ų3051.6 Ų51.614%0.1428%0.284CS..EExtended strand (participates in β ladder)trans-80.8118.9174.3-178-179.135.100108.9L75 S76 K78 V121 V128 Y130L75-Q119 WeakPolarHBondContact CA-O 3.49Å; S76-Q119 PolarHBondContact N-O 2.93Å; S76-Q119 PolarHBondContact O-N 2.93Å; S76-Q119 PolarHBondContact OG-OE1 3.41Å; K78-Q119 HydrophobicContact CG-CB 3.99Å; Q119-V121 HydrophobicContact CG-CG2 4.26Å; Q119-V128 HydrophobicContact CG-CG1 3.54Å; Q119-Y130 HydrophobicContact CB-CD1 3.83Å; Q119-Y130 HydrophobicContact CB-CE1 3.71Å; Q119-Y130 HydrophobicContact CG-CD1 4.02Å; Q119-Y130 HydrophobicContact CG-CE1 3.53Å; Q119-Y130 PolarHBondContact NE2-OH 3.05Å
120C89.4Confident85.9Confident0 Ų052.5 Ų52.50%028%0.283CS..EExtended strand (participates in β ladder)trans-104.8121.8170.4-173.80000110.3C32 I62 E74 L75 V128 I129C32-C120 WeakPolarHBondContact CA-SG 3.2Å; C32-C120 HydrophobicContact CB-CB 3.6Å; C32-C120 WeakPolarHBondContact CB-SG 3.14Å; C32-C120 WeakPolarHBondContact SG-CB 3.32Å; C32-C120 PolarHBondContact SG-O 3.08Å; C32-C120 VanDerWaalsContact SG-O 3.41Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 3.47Å; I62-C120 HydrophobicContact CG2-CB 4.48Å; E74-C120 CarbonylContact O-C 3.43Å; E74-C120 WeakPolarHBondContact O-CA 3.38Å; L75-C120 HydrophobicContact CD2-CB 3.52Å; L75-C120 VanDerWaalsContact CD2-SG 3.6Å; C120-V128 CarbonylContact O-C 3.44Å; C120-V128 VanDerWaalsContact O-CA 3.3Å; C120-V128 WeakPolarHBondContact O-CA 3.29Å; C120-I129 PolarHBondContact N-O 3.01Å; C120-I129 PolarHBondContact O-N 2.54Å
121V88.5Confident86Confident39 Ų3949.2 Ų49.224%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-106.5120.6173.6-1750000108.6I73 E74 Q119 K123 V128I73-V121 CarbonylContact C-O 3.49Å; I73-V121 VanDerWaalsContact CA-O 3.31Å; I73-V121 WeakPolarHBondContact CA-O 3.34Å; E74-V121 HydrophobicContact CB-CB 4.28Å; E74-V121 PolarHBondContact N-O 3.17Å; E74-V121 PolarHBondContact O-N 3.31Å; Q119-V121 HydrophobicContact CG-CG2 4.26Å; V121-K123 PolarHBondContact O-N 3.26Å; V121-V128 HydrophobicContact CG1-CG2 4.25Å; V121-V128 HydrophobicContact CG2-CG1 4.36Å; V121-V128 HydrophobicContact CG2-CG2 4.03Å
122N86.7Confident86.2Confident0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-74.1113.5170.8-177.1-35.1000108.3Y28 D31 C32 K124 V125 G126 T127Y28-N122 PolarHBondContact O-ND2 2.87Å; D31-N122 WeakPolarHBondContact CB-ND2 3.39Å; C32-N122 PolarHBondContact SG-N 2.88Å; N122-K124 PolarHBondContact O-N 2.77Å; N122-K124 PolarHBondContact OD1-N 2.81Å; N122-V125 PolarHBondContact OD1-N 2.88Å; N122-G126 WeakPolarHBondContact O-CA 3.06Å; N122-G126 PolarHBondContact O-N 2.87Å; N122-T127 WeakPolarHBondContact CB-OG1 3.29Å; N122-T127 PolarHBondContact N-O 3.02Å
123K82.2Confident86.3Confident112 Ų11246.2 Ų46.249%0.48725%0.25SS..THydrogen-bonded Turntrans-68.5-18.8-176.8-73.1-161.5170.7-166.40113.8P71 T72 E74 V121P71-K123 HydrophobicContact CG-CD 4.33Å; T72-K123 PolarHBondContact O-N 2.92Å; E74-K123 HydrophobicContact CB-CG 4.43Å; E74-K123 WeakPolarHBondContact OE2-CE 3.44Å; E74-K123 IonicContact OE2-NZ 2.88Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å; V121-K123 PolarHBondContact O-N 3.26Å
124K77.5Confident86.4Confident115 Ų11548.6 Ų48.650%0.525%0.248SC..THydrogen-bonded Turntrans-91.6-42.8-177.8-64.7-171.6177.1-173.90112.6Y28 N122Y28-K124 HydrophobicContact CD1-CD 3.79Å; Y28-K124 HydrophobicContact CE1-CD 4.21Å; Y28-K124 HydrophobicContact CG-CD 4.09Å; Y28-K124 PolarHBondContact OH-NZ 2.78Å; N122-K124 PolarHBondContact O-N 2.77Å; N122-K124 PolarHBondContact OD1-N 2.81Å
125V79.6Confident86.4Confident75 Ų7548 Ų4846%0.45525%0.245SC..THydrogen-bonded Turntrans-97.1-25.1-177.1-168.60000111.8N122 T127N122-V125 PolarHBondContact OD1-N 2.88Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 HydrophobicContact CB-CG2 4.35Å; V125-T127 HydrophobicContact CG1-CG2 3.81Å
126G78.1Confident86.4Confident50 Ų5048.2 Ų48.252%0.51525%0.247SC..  trans81.33-174.700000114.3N122N122-G126 WeakPolarHBondContact O-CA 3.06Å; N122-G126 PolarHBondContact O-N 2.87Å
127T83.9Confident86.4Confident58 Ų5848.3 Ų48.336%0.35625%0.247SC..  trans-68.4141.9176.851.40000111.3N122 V125N122-T127 WeakPolarHBondContact CB-OG1 3.29Å; N122-T127 PolarHBondContact N-O 3.02Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 HydrophobicContact CB-CG2 4.35Å; V125-T127 HydrophobicContact CG1-CG2 3.81Å
128V86Confident86.2Confident60 Ų6052.1 Ų52.136%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-118.2126.8179.5-176.10000109.3Q119 C120 V121 Y130Q119-V128 HydrophobicContact CG-CG1 3.54Å; C120-V128 CarbonylContact O-C 3.44Å; C120-V128 VanDerWaalsContact O-CA 3.3Å; C120-V128 WeakPolarHBondContact O-CA 3.29Å; V121-V128 HydrophobicContact CG1-CG2 4.25Å; V121-V128 HydrophobicContact CG2-CG1 4.36Å; V121-V128 HydrophobicContact CG2-CG2 4.03Å; V128-Y130 HydrophobicContact CG1-CE1 4.42Å; V128-Y130 HydrophobicContact CG1-CE2 3.93Å
129I86Confident86.2Confident53 Ų5353.6 Ų53.627%0.27227%0.267SS..EExtended strand (participates in β ladder)trans-122136.8174.8-60.7178.5000108.4C32 K33 C120C32-I129 HydrophobicContact CB-CB 4.18Å; C32-I129 HydrophobicContact CB-CD1 3.91Å; C32-I129 HydrophobicContact CB-CG1 4.2Å; K33-I129 HydrophobicContact CG-CD1 4.1Å; C120-I129 PolarHBondContact N-O 3.01Å; C120-I129 PolarHBondContact O-N 2.54Å
130Y86.8Confident86.1Confident120 Ų12057.4 Ų57.447%0.47128%0.28SS..EExtended strand (participates in β ladder)trans-104.1126.9175.6-61.4-85.6000109.7K78 Q119 V128K78-Y130 HydrophobicContact CG-CE1 4.44Å; Q119-Y130 HydrophobicContact CB-CD1 3.83Å; Q119-Y130 HydrophobicContact CB-CE1 3.71Å; Q119-Y130 HydrophobicContact CG-CD1 4.02Å; Q119-Y130 HydrophobicContact CG-CE1 3.53Å; Q119-Y130 PolarHBondContact NE2-OH 3.05Å; V128-Y130 HydrophobicContact CG1-CE1 4.42Å; V128-Y130 HydrophobicContact CG1-CE2 3.93Å
131H87Confident86.1Confident13 Ų1358.4 Ų58.46%0.0629%0.286CS..EExtended strand (participates in β ladder)trans-106.2117.8173.6-64.7-68.3000109.3C32 Q117 V118C32-H131 PolarHBondContact O-CE1 3.03Å; C32-H131 PolarHBondContact O-NE2 2.91Å; Q117-H131 CarbonylContact C-O 3.56Å; Q117-H131 WeakPolarHBondContact CA-O 3.44Å; V118-H131 HydrophobicContact CB-CB 4.44Å; V118-H131 PolarHBondContact N-O 2.78Å; V118-H131 PolarHBondContact O-N 3.45Å
132E88.7Confident86Confident49 Ų4958.1 Ų58.123%0.22928%0.283CS..EExtended strand (participates in β ladder)trans-79.9133.6177.1-171174.9104.100110.4A41 T42 V115 R134A41-E132 CarbonylContact C-O 3.58Å; A41-E132 VanDerWaalsContact CA-O 3.29Å; A41-E132 WeakPolarHBondContact CA-O 3.2Å; A41-E132 HydrophobicContact CB-CB 4.18Å; T42-E132 PolarHBondContact N-O 2.95Å; V115-E132 HydrophobicContact CG1-CG 3.76Å; E132-R134 HydrophobicContact CG-CG 4.34Å; E132-R134 IonicContact OE1-CZ 3.45Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.46Å; E132-R134 IonicContact OE1-NH2 3.36Å; E132-R134 PolarHBondContact OE1-NH2 2.81Å
133V88Confident86.1Confident0 Ų060.3 Ų60.30%030%0.295CS..EExtended strand (participates in β ladder)trans-121.8117172.7-176.10000107.8T42 V57 L94 V115 V116 V118 I135T42-V133 CarbonylContact O-C 3.59Å; T42-V133 WeakPolarHBondContact O-CA 3.33Å; V57-V133 HydrophobicContact CG2-CG1 4.36Å; L94-V133 HydrophobicContact CD1-CB 4.23Å; L94-V133 HydrophobicContact CD1-CG1 3.95Å; L94-V133 HydrophobicContact CD1-CG2 3.86Å; V115-V133 WeakPolarHBondContact CA-O 3.16Å; V116-V133 HydrophobicContact CG2-CB 3.93Å; V116-V133 PolarHBondContact N-O 3.1Å; V116-V133 PolarHBondContact O-N 2.77Å; V118-V133 HydrophobicContact CG2-CG2 4.42Å; V133-I135 HydrophobicContact CG1-CG1 4.26Å
134R88.9Confident86.4Confident122 Ų12257 Ų5746%0.4629%0.285SS..EExtended strand (participates in β ladder)trans-102.8118.7174-62.4-168.2-177.8-172-2109.1T42 I43 V44 V115 E132T42-R134 PolarHBondContact O-N 2.83Å; I43-R134 CarbonylContact C-O 3.59Å; I43-R134 VanDerWaalsContact CA-O 3.32Å; I43-R134 WeakPolarHBondContact CA-O 3.35Å; I43-R134 HydrophobicContact CG1-CB 4.45Å; V44-R134 PolarHBondContact N-O 3.01Å; V115-R134 HydrophobicContact CG1-CG 4.2Å; V115-R134 HydrophobicContact CG2-CG 4.06Å; E132-R134 HydrophobicContact CG-CG 4.34Å; E132-R134 IonicContact OE1-CZ 3.45Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.46Å; E132-R134 IonicContact OE1-NH2 3.36Å; E132-R134 PolarHBondContact OE1-NH2 2.81Å
135I89Confident87.1Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-102.9109.9175.6-58.3152000106V44 I46 L56 V85 S113 I114 V133V44-I135 CarbonylContact O-C 3.58Å; V44-I135 VanDerWaalsContact O-CA 3.31Å; V44-I135 WeakPolarHBondContact O-CA 3.4Å; I46-I135 HydrophobicContact CB-CG2 4.36Å; I46-I135 HydrophobicContact CG2-CG2 3.45Å; I46-I135 VanDerWaalsContact CG2-CG2 3.45Å; L56-I135 HydrophobicContact CD1-CD1 3.68Å; L56-I135 HydrophobicContact CD1-CG1 4.48Å; L56-I135 HydrophobicContact CD2-CD1 4.24Å; L56-I135 HydrophobicContact CD2-CG1 4.31Å; L56-I135 HydrophobicContact CD2-CG2 3.93Å; L56-I135 HydrophobicContact CG-CD1 4.49Å; V85-I135 HydrophobicContact CG2-CD1 3.49Å; V85-I135 VanDerWaalsContact CG2-CD1 3.49Å; S113-I135 CarbonylContact C-O 3.59Å; S113-I135 WeakPolarHBondContact CA-O 3.48Å; I114-I135 HydrophobicContact CB-CB 4.2Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.14Å; I114-I135 PolarHBondContact N-O 3.38Å; I114-I135 PolarHBondContact O-N 3.1Å; V133-I135 HydrophobicContact CG1-CG1 4.26Å
136V88.6Confident87.6Confident65 Ų6551.8 Ų51.839%0.39426%0.263SS..EExtended strand (participates in β ladder)trans-86.4123.1174.4-178.50000107.4I43 V44 A45 I46I43-V136 HydrophobicContact CG2-CG2 4.05Å; V44-V136 PolarHBondContact O-N 2.94Å; A45-V136 CarbonylContact C-O 3.53Å; A45-V136 VanDerWaalsContact CA-O 3.29Å; A45-V136 WeakPolarHBondContact CA-O 3.38Å; I46-V136 PolarHBondContact N-O 3.4Å
137V89.2Confident88.2Confident2 Ų250.9 Ų50.91%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-85.2123.6175.2-169.30000107.4I46 E48 L103 R105 I111 H112I46-V137 CarbonylContact O-C 3.55Å; I46-V137 WeakPolarHBondContact O-CA 3.44Å; E48-V137 HydrophobicContact CB-CG1 3.72Å; L103-V137 HydrophobicContact CD1-CG2 4.04Å; L103-V137 HydrophobicContact CD2-CG1 4.12Å; L103-V137 HydrophobicContact CD2-CG2 4.05Å; L103-V137 HydrophobicContact CG-CG1 4.15Å; L103-V137 HydrophobicContact CG-CG2 4.26Å; R105-V137 HydrophobicContact CB-CG1 4.05Å; R105-V137 VanDerWaalsContact CD-O 3.29Å; R105-V137 WeakPolarHBondContact CD-O 3.16Å; R105-V137 HydrophobicContact CG-CG1 4.47Å; R105-V137 PolarHBondContact NE-O 3.04Å; R105-V137 VanDerWaalsContact NE-O 3.08Å; I111-V137 WeakPolarHBondContact O-CB 3.34Å; I111-V137 VanDerWaalsContact O-CG2 3.28Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å; H112-V137 PolarHBondContact O-N 2.85Å
138R87.6Confident88.4Confident132 Ų13253.9 Ų53.950%0.49825%0.253SS..EExtended strand (participates in β ladder)trans-91.3136174.8-63.1-170.6-61.3-1741.7108.8A45 I46 D47 E48A45-R138 HydrophobicContact CB-CG 4.07Å; I46-R138 PolarHBondContact O-N 2.87Å; D47-R138 IonicContact OD1-CZ 3.38Å; D47-R138 IonicContact OD1-NE 2.84Å; D47-R138 PolarHBondContact OD1-NE 3.11Å; D47-R138 IonicContact OD1-NH2 3.31Å; D47-R138 PolarHBondContact OD1-NH2 3.42Å; D47-R138 IonicContact OD2-NH2 2.83Å; E48-R138 PolarHBondContact N-O 2.84Å
139D88.6Confident88.5Confident30 Ų3055.1 Ų55.116%0.1626%0.255CS..PPolyproline II helixtrans-55.1140.1171.7-160.483.1000112.5E48 R105 D181 N184E48-D139 WeakPolarHBondContact OE1-CA 3.18Å; R105-D139 IonicContact NH1-OD1 2.69Å; R105-D139 PolarHBondContact NH1-OD1 2.73Å; D139-D181 HydrophobicContact CB-CB 4.43Å; D139-D181 WeakPolarHBondContact OD1-CB 3.24Å; D139-D181 PolarHBondContact OD1-N 2.82Å; D139-D181 PolarHBondContact OD2-N 2.68Å; D139-N184 PolarHBondContact OD2-ND2 2.92Å
140R87.4Confident88.5Confident110 Ų11061.8 Ų61.842%0.41529%0.285SS..  trans-119.4146169.3-71.5-77.8-72.5-97.3-22.5107.7D47 E48 D142D47-R140 HydrophobicContact CB-CG 3.87Å; D47-R140 IonicContact OD2-NH1 2.75Å; D47-R140 PolarHBondContact OD2-NH1 3.33Å; E48-R140 HydrophobicContact CG-CB 3.72Å; E48-R140 HydrophobicContact CG-CG 3.73Å; E48-R140 PolarHBondContact OE1-N 3.46Å; R140-D142 PolarHBondContact O-N 2.79Å; R140-D142 VanDerWaalsContact O-OD1 3.08Å
141N89Confident88.6Confident22 Ų2259.7 Ų59.712%0.11829%0.288CS..SBendtrans-79.267.7175.7-161.763.4000110.1D180 N184 D236 A238 E243 R245N141-D180 VanDerWaalsContact CA-OD2 3.3Å; N141-D180 WeakPolarHBondContact CA-OD2 3.34Å; N141-D180 PolarHBondContact OD1-OD2 3.1Å; N141-N184 HydrophobicContact CB-CB 4.28Å; N141-N184 WeakPolarHBondContact OD1-CB 3.35Å; N141-D236 PolarHBondContact ND2-OD2 2.94Å; N141-D236 PolarHBondContact OD1-OD2 2.93Å; N141-A238 HydrophobicContact CB-CB 4.32Å; N141-E243 PolarHBondContact ND2-O 2.74Å; N141-R245 PolarHBondContact O-NE 2.87Å
142D86.9Confident88.9Confident32 Ų3259.7 Ų59.717%0.17129%0.288CS..  trans-105.8-10.3-175.872-41.6000114.5R140 D180 R245R140-D142 PolarHBondContact O-N 2.79Å; R140-D142 VanDerWaalsContact O-OD1 3.08Å; D142-D180 PolarHBondContact N-OD2 2.98Å; D142-R245 VanDerWaalsContact C-CZ 3.45Å; D142-R245 PolarHBondContact O-NH1 3.04Å; D142-R245 PolarHBondContact O-NH2 2.91Å
143N89.2Confident89Confident47 Ų4763.7 Ų63.725%0.25130%0.302SS..SBendtrans-98.7153166-58.3-80000111.2D106 I179 D180 R245D106-N143 PolarHBondContact OD2-ND2 2.88Å; N143-I179 HydrophobicContact CB-CD1 4.36Å; N143-I179 HydrophobicContact CB-CG1 3.83Å; N143-D180 WeakPolarHBondContact CB-OD1 3.42Å; N143-D180 PolarHBondContact N-OD1 3.44Å; N143-D180 PolarHBondContact N-OD2 2.98Å; N143-D180 PolarHBondContact ND2-OD1 3.23Å; N143-R245 WeakPolarHBondContact O-CD 3.4Å
144S88.9Confident89.2Confident42 Ų4264.2 Ų64.229%0.29431%0.306SS..  trans-106.4147.5173.6-57.20000107.8T146S144-T146 PolarHBondContact O-N 3.36Å
145P91.7Very high89.3Confident0 Ų061.9 Ų61.90%031%0.306CS..  trans-53.8141.2175-24.731.3000110.6A176 D178 I187 A234 D236 T247P145-A176 HydrophobicContact CB-CB 4.38Å; P145-D178 HydrophobicContact CB-CB 4.44Å; P145-D178 WeakPolarHBondContact CD-OD2 3.25Å; P145-D178 HydrophobicContact CG-CB 4.41Å; P145-D178 WeakPolarHBondContact CG-OD2 3.34Å; P145-D178 VanDerWaalsContact N-OD2 3.17Å; P145-I187 HydrophobicContact CB-CD1 4.14Å; P145-I187 HydrophobicContact CB-CG1 4.21Å; P145-I187 HydrophobicContact CG-CG1 4.32Å; P145-A234 HydrophobicContact CB-CB 4.28Å; P145-D236 HydrophobicContact CG-CB 4.18Å; P145-T247 VanDerWaalsContact O-CB 3.24Å; P145-T247 WeakPolarHBondContact O-CB 3.45Å; P145-T247 WeakPolarHBondContact O-CG2 3.42Å; P145-T247 PolarHBondContact O-OG1 2.98Å
146T89.9Confident89.4Confident80 Ų8062.3 Ų62.349%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-125.2127.8178.652.70000110.9S144 A176 T177S144-T146 PolarHBondContact O-N 3.36Å; T146-A176 CarbonylContact O-C 3.58Å; T146-A176 WeakPolarHBondContact O-CA 3.14Å; T146-T177 PolarHBondContact N-O 3.17Å; T146-T177 PolarHBondContact O-N 3.43Å; T146-T177 PolarHBondContact OG1-O 3.14Å
147F91.2Very high89.4Confident31 Ų3161.9 Ų61.914%0.13630%0.304CS..EExtended strand (participates in β ladder)trans-74.3140.5171.5-75.1-82.7000110.4H149 Y152 F170 A176 Y189 I232 A234 T249F147-H149 VanDerWaalsContact C-N 3.26Å; F147-H149 WeakPolarHBondContact CB-O 3.39Å; F147-H149 PolarHBondContact O-N 3.29Å; F147-Y152 HydrophobicContact CB-CE2 4.29Å; F147-Y152 AromaticContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CE1-CE2 4.4Å; F147-Y152 HydrophobicContact CG-CE2 4.28Å; F147-F170 HydrophobicContact CD1-CD1 4.45Å; F147-F170 HydrophobicContact CD1-CE1 4.26Å; F147-F170 AromaticContact CE1-CD1 3.99Å; F147-F170 HydrophobicContact CE1-CD1 3.99Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CZ 4.5Å; F147-A176 HydrophobicContact CD1-CB 3.88Å; F147-A176 HydrophobicContact CD2-CB 4.34Å; F147-A176 HydrophobicContact CE1-CB 3.9Å; F147-A176 HydrophobicContact CE2-CB 4.34Å; F147-A176 HydrophobicContact CG-CB 4.12Å; F147-A176 HydrophobicContact CZ-CB 4.14Å; F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CZ-CD1 4.19Å; F147-Y189 AromaticContact CZ-CE1 3.91Å; F147-Y189 HydrophobicContact CZ-CE1 3.91Å; F147-I232 HydrophobicContact CZ-CG2 4.21Å; F147-A234 HydrophobicContact CE1-CB 4.48Å; F147-A234 HydrophobicContact CE2-CB 3.63Å; F147-A234 HydrophobicContact CZ-CB 3.55Å; F147-T249 HydrophobicContact CD1-CG2 3.7Å; F147-T249 HydrophobicContact CD2-CG2 3.81Å; F147-T249 HydrophobicContact CE1-CG2 3.54Å; F147-T249 HydrophobicContact CE2-CG2 3.67Å; F147-T249 HydrophobicContact CG-CG2 3.82Å; F147-T249 HydrophobicContact CZ-CG2 3.53Å
148K87Confident89.5Confident121 Ų12161.9 Ų61.953%0.52630%0.303SS..SBendtrans-64.5-32.3175.7-170.9174.8-166.1168.50113.2D173K148-D173 WeakPolarHBondContact CD-O 3.09Å; K148-D173 PolarHBondContact NZ-O 3.46Å
149H89.1Confident89.5Confident86 Ų8659 Ų5940%0.39830%0.298SS..SBendtrans-121.2142.4-180-60.2-53000110.2F147 S151 Y152 N174F147-H149 VanDerWaalsContact C-N 3.26Å; F147-H149 WeakPolarHBondContact CB-O 3.39Å; F147-H149 PolarHBondContact O-N 3.29Å; H149-S151 PolarHBondContact O-N 3.22Å; H149-Y152 HydrophobicContact CB-CE1 4.28Å; H149-Y152 HydrophobicContact CB-CE2 4.17Å; H149-Y152 AromaticContact CD2-CE1 3.87Å; H149-N174 PolarHBondContact CD2-OD1 3.35Å; H149-N174 PolarHBondContact NE2-OD1 3.45Å; H149-N174 VanDerWaalsContact NE2-OD1 3.17Å
150E85.8Confident89.5Confident194 Ų19458.9 Ų58.991%0.90730%0.298SS*.SBendtrans-64.3-31.7179.2-64.4-174.3165.600112.2T249E150-T249 PolarHBondContact O-OG1 2.76Å
151S90.1Very high89.6Confident76 Ų7658 Ų5853%0.53131%0.306SS..EExtended strand (participates in β ladder)trans-146.3157.2175.458.30000110.8H149 T250H149-S151 PolarHBondContact O-N 3.22Å; S151-T250 WeakPolarHBondContact CA-O 3.43Å; S151-T250 WeakPolarHBondContact CB-O 3.36Å
152Y92.3Very high89.6Confident12 Ų1260.7 Ų60.75%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-119.4153.9176-66.6-96.7000109.7F147 H149 F167 F170 N174 T249 T250 L251 T252F147-Y152 HydrophobicContact CB-CE2 4.29Å; F147-Y152 AromaticContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CE1-CE2 4.4Å; F147-Y152 HydrophobicContact CG-CE2 4.28Å; H149-Y152 HydrophobicContact CB-CE1 4.28Å; H149-Y152 HydrophobicContact CB-CE2 4.17Å; H149-Y152 AromaticContact CD2-CE1 3.87Å; Y152-F167 HydrophobicContact CD1-CE1 4.45Å; Y152-F167 HydrophobicContact CD1-CE2 4.43Å; Y152-F167 AromaticContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CE1-CZ 4.42Å; Y152-F167 AromaticContact CG-CZ 4Å; Y152-F167 HydrophobicContact CG-CZ 4Å; Y152-F170 HydrophobicContact CD1-CE1 4.16Å; Y152-F170 AromaticContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CZ 4.37Å; Y152-F170 HydrophobicContact CE1-CD1 4.27Å; Y152-F170 HydrophobicContact CE1-CE1 4.1Å; Y152-F170 HydrophobicContact CE2-CD1 4.37Å; Y152-F170 AromaticContact CE2-CE1 3.69Å; Y152-F170 HydrophobicContact CE2-CE1 3.69Å; Y152-F170 AromaticContact CG-CE1 3.94Å; Y152-F170 HydrophobicContact CG-CE1 3.94Å; Y152-F170 AromaticContact CZ-CE1 3.87Å; Y152-N174 PolarHBondContact OH-O 3.02Å; Y152-T249 HydrophobicContact CD2-CG2 3.79Å; Y152-T249 HydrophobicContact CE2-CG2 3.88Å; Y152-T250 PolarHBondContact N-O 3.32Å; Y152-L251 WeakPolarHBondContact O-CA 3.37Å; Y152-T252 PolarHBondContact O-N 2.94Å
153Y91.3Very high89.6Confident133 Ų13361.7 Ų61.752%0.52234%0.341SS..EExtended strand (participates in β ladder)trans-131.6137.3-176.7-176.1-100.2000110.4T155 T252 D254Y153-T155 HydrophobicContact CE1-CG2 3.64Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.41Å; Y153-T252 WeakPolarHBondContact CA-O 3.37Å; Y153-T252 HydrophobicContact CD2-CG2 4.32Å; Y153-T252 HydrophobicContact CE2-CG2 4.46Å; Y153-D254 HydrophobicContact CE2-CB 4.22Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.26Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.42Å; Y153-D254 WeakPolarHBondContact OH-CB 3.45Å; Y153-D254 VanDerWaalsContact OH-CG 3.28Å; Y153-D254 PolarHBondContact OH-OD2 2.81Å
154A91.1Very high89.6Confident11 Ų1162.2 Ų62.29%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-142.8150.1173.800000110.2F167 L251 T252 V253 D254A154-F167 HydrophobicContact CB-CD2 4.01Å; A154-L251 HydrophobicContact CB-CD1 4.23Å; A154-T252 PolarHBondContact N-O 2.94Å; A154-V253 VanDerWaalsContact O-CA 3.32Å; A154-V253 WeakPolarHBondContact O-CA 3.09Å; A154-D254 PolarHBondContact O-N 3.25Å
155T90.7Very high89.6Confident74 Ų7463.4 Ų63.445%0.45435%0.352SS..EExtended strand (participates in β ladder)trans-116.9142.1171.148.50000109.5Y153 D254Y153-T155 HydrophobicContact CE1-CG2 3.64Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.41Å; T155-D254 CarbonylContact C-O 3.55Å; T155-D254 VanDerWaalsContact CA-O 3.28Å; T155-D254 WeakPolarHBondContact CA-O 3.42Å; T155-D254 HydrophobicContact CG2-CB 4.08Å
156V91.6Very high89.4Confident9 Ų964.9 Ų64.96%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-140130.4179.559.40000109.6T160 I166 L220 V253 D254 V255 L256V156-T160 HydrophobicContact CG2-CG2 4.21Å; V156-I166 HydrophobicContact CB-CG2 4.25Å; V156-I166 HydrophobicContact CG2-CG2 3.74Å; V156-L220 HydrophobicContact CB-CD1 4.31Å; V156-L220 HydrophobicContact CG1-CD1 3.42Å; V156-L220 VanDerWaalsContact CG1-CD1 3.42Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; V156-V253 HydrophobicContact CB-CG1 4.46Å; V156-V253 HydrophobicContact CG1-CG1 3.52Å; V156-D254 PolarHBondContact N-O 2.9Å; V156-V255 CarbonylContact O-C 3.5Å; V156-V255 VanDerWaalsContact O-CA 3.28Å; V156-V255 WeakPolarHBondContact O-CA 3.45Å; V156-L256 PolarHBondContact O-N 3.45Å
157N89.5Confident89.3Confident56 Ų5662.1 Ų62.130%0.29934%0.341SS..EExtended strand (participates in β ladder)trans-74.5139.3174.6-177-65.1000110.1L159 T160 L256N157-L159 PolarHBondContact O-N 3.39Å; N157-L159 WeakPolarHBondContact OD1-CB 3.42Å; N157-L159 VanDerWaalsContact OD1-CG 3.27Å; N157-L159 WeakPolarHBondContact OD1-CG 3.37Å; N157-L159 PolarHBondContact OD1-N 3.4Å; N157-T160 WeakPolarHBondContact O-CB 3.38Å; N157-T160 PolarHBondContact O-N 3.3Å; N157-T160 PolarHBondContact O-OG1 2.86Å; N157-L256 WeakPolarHBondContact CA-O 3.5Å; N157-L256 HydrophobicContact CB-CB 4.41Å
158E90.9Very high89.1Confident1 Ų164.2 Ų64.21%0.00536%0.356CS..THydrogen-bonded Turntrans-64.2-26.5-176.476.8-172.7111.700115T160 L220 N221 Y222 V255 L256 D257 G258E158-T160 PolarHBondContact O-N 2.87Å; E158-T160 VanDerWaalsContact O-N 3.12Å; E158-L220 HydrophobicContact CB-CB 4.04Å; E158-N221 WeakPolarHBondContact OE2-CA 3.35Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.14Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.22Å; E158-Y222 PolarHBondContact OE2-N 2.8Å; E158-V255 HydrophobicContact CB-CG1 3.81Å; E158-L256 PolarHBondContact N-O 2.92Å; E158-D257 VanDerWaalsContact OE1-CA 3.3Å; E158-D257 WeakPolarHBondContact OE1-CA 3.24Å; E158-G258 PolarHBondContact OE1-N 3.39Å
159L87.1Confident88.9Confident72 Ų7259.3 Ų59.338%0.37734%0.34SS..THydrogen-bonded Turntrans-69-6.1175.4-53178.4000112.2N157 P161 D260N157-L159 PolarHBondContact O-N 3.39Å; N157-L159 WeakPolarHBondContact OD1-CB 3.42Å; N157-L159 VanDerWaalsContact OD1-CG 3.27Å; N157-L159 WeakPolarHBondContact OD1-CG 3.37Å; N157-L159 PolarHBondContact OD1-N 3.4Å; L159-P161 WeakPolarHBondContact O-CD 3.4Å; L159-D260 HydrophobicContact CD2-CB 3.81Å
160T88.7Confident88.7Confident28 Ų2855.5 Ų55.517%0.17232%0.322CS..PPolyproline II helixtrans-61.2123.1178.9-58.30000110.6V156 N157 E158 T164 L216V156-T160 HydrophobicContact CG2-CG2 4.21Å; N157-T160 WeakPolarHBondContact O-CB 3.38Å; N157-T160 PolarHBondContact O-N 3.3Å; N157-T160 PolarHBondContact O-OG1 2.86Å; E158-T160 PolarHBondContact O-N 2.87Å; E158-T160 VanDerWaalsContact O-N 3.12Å; T160-T164 HydrophobicContact CG2-CG2 3.84Å; T160-L216 HydrophobicContact CG2-CD2 4.4Å; T160-L216 WeakPolarHBondContact O-CD2 3.25Å
161P90.1Very high88.3Confident90 Ų9049.7 Ų49.758%0.58430%0.303SS*.PPolyproline II helixtrans-62.6146177.6-22.933.5000112.6L159 T164L159-P161 WeakPolarHBondContact O-CD 3.4Å; P161-T164 WeakPolarHBondContact O-CB 3.29Å; P161-T164 PolarHBondContact O-N 2.99Å; P161-T164 PolarHBondContact O-OG1 2.83Å
162V88.6Confident87.7Confident80 Ų8049.2 Ų49.249%0.48531%0.31SS..THydrogen-bonded Turntrans-58.7139.6171.1177.40000110.2L216 R217 R219V162-L216 WeakPolarHBondContact CG1-O 3.28Å; V162-R217 WeakPolarHBondContact CG1-O 3.33Å; V162-R219 HydrophobicContact CG2-CB 4.15Å
163G86.9Confident86.9Confident53 Ų5355.4 Ų55.455%0.54634%0.344SS..THydrogen-bonded Turntrans94.6-4.5-175.700000114.2V215 L216G163-V215 VanDerWaalsContact C-CG1 3.45Å; G163-V215 WeakPolarHBondContact O-CG1 3.49Å; G163-L216 PolarHBondContact N-O 2.88Å
164T88.3Confident86.6Confident57 Ų5751.5 Ų51.535%0.3533%0.332SS..  trans-77.4135.8176.7-50.20000111T160 P161 I166 V215 L216T160-T164 HydrophobicContact CG2-CG2 3.84Å; P161-T164 WeakPolarHBondContact O-CB 3.29Å; P161-T164 PolarHBondContact O-N 2.99Å; P161-T164 PolarHBondContact O-OG1 2.83Å; T164-I166 PolarHBondContact O-N 2.82Å; T164-V215 WeakPolarHBondContact O-CA 3.47Å; T164-L216 PolarHBondContact O-N 2.88Å
165T88.9Confident86.3Confident68 Ų6851 Ų5142%0.41733%0.328SS..EExtended strand (participates in β ladder)trans-73.5119.5172.6-52.10000109.7T168 N213 V214T165-T168 HydrophobicContact CG2-CG2 3.6Å; T165-N213 HydrophobicContact CG2-CB 3.96Å; T165-V214 CarbonylContact C-O 3.56Å
166I87.7Confident86.2Confident30 Ų3048 Ų4815%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-96.9-22.1-177.859.3152.9000112.9V156 T164 F204 V214 L216 V253V156-I166 HydrophobicContact CB-CG2 4.25Å; V156-I166 HydrophobicContact CG2-CG2 3.74Å; T164-I166 PolarHBondContact O-N 2.82Å; I166-F204 HydrophobicContact CD1-CD1 3.47Å; I166-F204 VanDerWaalsContact CD1-CD1 3.47Å; I166-F204 HydrophobicContact CD1-CE1 3.39Å; I166-F204 HydrophobicContact CD1-CZ 4.4Å; I166-F204 HydrophobicContact CG1-CD1 4.42Å; I166-V214 HydrophobicContact CD1-CG1 4.01Å; I166-V214 HydrophobicContact CG1-CB 4.15Å; I166-V214 HydrophobicContact CG1-CG1 4.02Å; I166-V214 VanDerWaalsContact CG1-O 3.3Å; I166-V214 WeakPolarHBondContact CG1-O 3.26Å; I166-V214 PolarHBondContact N-O 2.98Å; I166-L216 HydrophobicContact CG2-CB 4.2Å; I166-V253 HydrophobicContact CD1-CG1 4.1Å; I166-V253 HydrophobicContact CD1-CG2 4.08Å
167F89.5Confident86Confident22 Ų2251 Ų5110%0.09633%0.329CS..EExtended strand (participates in β ladder)trans-149.5127.1-176.7-175.1-99.2000111.8Y152 A154 F170 N213 V214 L251Y152-F167 HydrophobicContact CD1-CE1 4.45Å; Y152-F167 HydrophobicContact CD1-CE2 4.43Å; Y152-F167 AromaticContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CE1-CZ 4.42Å; Y152-F167 AromaticContact CG-CZ 4Å; Y152-F167 HydrophobicContact CG-CZ 4Å; A154-F167 HydrophobicContact CB-CD2 4.01Å; F167-F170 HydrophobicContact CD1-CD2 4.03Å; F167-F170 AromaticContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CZ 4.13Å; F167-F170 AromaticContact CE1-CD1 3.9Å; F167-F170 HydrophobicContact CE1-CD1 3.9Å; F167-F170 AromaticContact CE1-CD2 3.7Å; F167-F170 HydrophobicContact CE1-CD2 3.7Å; F167-F170 AromaticContact CE1-CE1 3.71Å; F167-F170 HydrophobicContact CE1-CE1 3.71Å; F167-F170 AromaticContact CE1-CE2 3.5Å; F167-F170 HydrophobicContact CE1-CE2 3.5Å; F167-F170 VanDerWaalsContact CE1-CE2 3.5Å; F167-F170 AromaticContact CE1-CG 3.89Å; F167-F170 HydrophobicContact CE1-CG 3.89Å; F167-F170 AromaticContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CE1-CZ 3.49Å; F167-F170 VanDerWaalsContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CZ-CE1 4.31Å; F167-F170 HydrophobicContact CZ-CZ 4.36Å; F167-N213 WeakPolarHBondContact O-CA 3.44Å; F167-V214 HydrophobicContact CB-CB 4.12Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.28Å; F167-V214 PolarHBondContact N-O 3.01Å; F167-V214 PolarHBondContact O-N 2.79Å; F167-L251 HydrophobicContact CB-CD2 4.23Å; F167-L251 HydrophobicContact CD1-CD1 4.44Å; F167-L251 HydrophobicContact CD1-CD2 4.17Å; F167-L251 HydrophobicContact CD2-CD1 4.04Å; F167-L251 HydrophobicContact CE2-CD1 4.11Å; F167-L251 HydrophobicContact CG-CD1 4.19Å; F167-L251 HydrophobicContact CG-CD2 4.15Å; F167-L251 HydrophobicContact CZ-CD1 4.35Å
168T86.4Confident86.1Confident75 Ų7549.3 Ų49.346%0.4632%0.321SS..  trans-123.412.8177.159.30000112.4T165 F170 S171T165-T168 HydrophobicContact CG2-CG2 3.6Å; T168-F170 PolarHBondContact O-N 3.01Å; T168-F170 VanDerWaalsContact O-N 3.12Å; T168-S171 WeakPolarHBondContact O-CB 3.36Å; T168-S171 PolarHBondContact O-N 3.12Å; T168-S171 VanDerWaalsContact O-N 3.14Å; T168-S171 PolarHBondContact O-OG 2.74Å
169G82.8Confident86Confident18 Ų1853.2 Ų53.219%0.18634%0.34CS..THydrogen-bonded Turntrans-70.6-6-17000000115.2S171 N174G169-S171 VanDerWaalsContact C-N 3.3Å; G169-N174 WeakPolarHBondContact O-CB 2.97Å; G169-N174 PolarHBondContact O-ND2 2.94Å
170F83.8Confident86.2Confident6 Ų650.1 Ų50.13%0.02632%0.324CS..THydrogen-bonded Turntrans-84.1-2.8172.1-55.3-49.5000113.9F147 Y152 F167 T168 G175 Y189 G212 V214 I232 T249F147-F170 HydrophobicContact CD1-CD1 4.45Å; F147-F170 HydrophobicContact CD1-CE1 4.26Å; F147-F170 AromaticContact CE1-CD1 3.99Å; F147-F170 HydrophobicContact CE1-CD1 3.99Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CZ 4.5Å; Y152-F170 HydrophobicContact CD1-CE1 4.16Å; Y152-F170 AromaticContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CZ 4.37Å; Y152-F170 HydrophobicContact CE1-CD1 4.27Å; Y152-F170 HydrophobicContact CE1-CE1 4.1Å; Y152-F170 HydrophobicContact CE2-CD1 4.37Å; Y152-F170 AromaticContact CE2-CE1 3.69Å; Y152-F170 HydrophobicContact CE2-CE1 3.69Å; Y152-F170 AromaticContact CG-CE1 3.94Å; Y152-F170 HydrophobicContact CG-CE1 3.94Å; Y152-F170 AromaticContact CZ-CE1 3.87Å; F167-F170 HydrophobicContact CD1-CD2 4.03Å; F167-F170 AromaticContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CZ 4.13Å; F167-F170 AromaticContact CE1-CD1 3.9Å; F167-F170 HydrophobicContact CE1-CD1 3.9Å; F167-F170 AromaticContact CE1-CD2 3.7Å; F167-F170 HydrophobicContact CE1-CD2 3.7Å; F167-F170 AromaticContact CE1-CE1 3.71Å; F167-F170 HydrophobicContact CE1-CE1 3.71Å; F167-F170 AromaticContact CE1-CE2 3.5Å; F167-F170 HydrophobicContact CE1-CE2 3.5Å; F167-F170 VanDerWaalsContact CE1-CE2 3.5Å; F167-F170 AromaticContact CE1-CG 3.89Å; F167-F170 HydrophobicContact CE1-CG 3.89Å; F167-F170 AromaticContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CE1-CZ 3.49Å; F167-F170 VanDerWaalsContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CZ-CE1 4.31Å; F167-F170 HydrophobicContact CZ-CZ 4.36Å; T168-F170 PolarHBondContact O-N 3.01Å; T168-F170 VanDerWaalsContact O-N 3.12Å; F170-G175 WeakPolarHBondContact O-CA 3.16Å; F170-Y189 HydrophobicContact CB-CE1 4.35Å; F170-Y189 HydrophobicContact CB-CE2 4.32Å; F170-Y189 HydrophobicContact CG-CE1 4.3Å; F170-G212 VanDerWaalsContact CD2-O 3.28Å; F170-G212 WeakPolarHBondContact CD2-O 3.33Å; F170-V214 HydrophobicContact CE2-CG2 4.3Å; F170-I232 HydrophobicContact CE2-CB 4.46Å; F170-I232 HydrophobicContact CE2-CD1 4.4Å; F170-I232 HydrophobicContact CE2-CG1 4.11Å; F170-I232 HydrophobicContact CE2-CG2 3.85Å; F170-I232 HydrophobicContact CZ-CB 4.17Å; F170-I232 HydrophobicContact CZ-CG1 3.91Å; F170-I232 HydrophobicContact CZ-CG2 3.89Å; F170-T249 HydrophobicContact CE1-CG2 4.44Å
171S77.5Confident86Confident72 Ų7253 Ų5350%0.50334%0.339SS..SBendtrans-77145.5176.358.50000112.4T168 G169T168-S171 WeakPolarHBondContact O-CB 3.36Å; T168-S171 PolarHBondContact O-N 3.12Å; T168-S171 VanDerWaalsContact O-N 3.14Å; T168-S171 PolarHBondContact O-OG 2.74Å; G169-S171 VanDerWaalsContact C-N 3.3Å
172G77.4Confident85.8Confident67 Ų6750.3 Ų50.369%0.69133%0.327SS*.G310 helixtrans67.5-147.4-179.400000113.3N174G172-N174 PolarHBondContact O-N 3.38Å
173D76Confident85.7Confident141 Ų14149.2 Ų49.275%0.75432%0.322SS*.G310 helixtrans-76.916.3-175.7-61-13000113.9K148K148-D173 WeakPolarHBondContact CD-O 3.09Å; K148-D173 PolarHBondContact NZ-O 3.46Å
174N84.2Confident85.7Confident51 Ų5147.9 Ų47.927%0.27330%0.302SS..G310 helixtrans-113.2-9.3-176.1-160.558000113.8H149 Y152 G169 G172H149-N174 PolarHBondContact CD2-OD1 3.35Å; H149-N174 PolarHBondContact NE2-OD1 3.45Å; H149-N174 VanDerWaalsContact NE2-OD1 3.17Å; Y152-N174 PolarHBondContact OH-O 3.02Å; G169-N174 WeakPolarHBondContact O-CB 2.97Å; G169-N174 PolarHBondContact O-ND2 2.94Å; G172-N174 PolarHBondContact O-N 3.38Å
175G85.4Confident85.6Confident1 Ų146.1 Ų46.11%0.0130%0.295CS..SBendtrans-77.3-160.717300000113.4F170F170-G175 WeakPolarHBondContact O-CA 3.16Å
176A88.5Confident85.6Confident10 Ų1047 Ų478%0.08330%0.295CS..EExtended strand (participates in β ladder)trans-73.3144.3163.100000110.1P145 T146 F147 I187 Y189 A234P145-A176 HydrophobicContact CB-CB 4.38Å; T146-A176 CarbonylContact O-C 3.58Å; T146-A176 WeakPolarHBondContact O-CA 3.14Å; F147-A176 HydrophobicContact CD1-CB 3.88Å; F147-A176 HydrophobicContact CD2-CB 4.34Å; F147-A176 HydrophobicContact CE1-CB 3.9Å; F147-A176 HydrophobicContact CE2-CB 4.34Å; F147-A176 HydrophobicContact CG-CB 4.12Å; F147-A176 HydrophobicContact CZ-CB 4.14Å; A176-I187 HydrophobicContact CB-CD1 3.87Å; A176-I187 HydrophobicContact CB-CG2 4.35Å; A176-I187 WeakPolarHBondContact O-CD1 3.25Å; A176-Y189 HydrophobicContact CB-CE1 4.02Å; A176-Y189 PolarHBondContact N-OH 3.29Å; A176-Y189 PolarHBondContact O-OH 3.19Å; A176-A234 HydrophobicContact CB-CB 3.77Å
177T88.8Confident85.7Confident72 Ų7246.6 Ų46.644%0.44229%0.293SS..EExtended strand (participates in β ladder)trans-125.3138.3173.852.30000109.4T146T146-T177 PolarHBondContact N-O 3.17Å; T146-T177 PolarHBondContact O-N 3.43Å; T146-T177 PolarHBondContact OG1-O 3.14Å
178D91Very high85.7Confident22 Ų2247.1 Ų47.112%0.11830%0.295CS..  trans-122135.8173.2-160.9-36.4000107.2P145 D180 I187P145-D178 HydrophobicContact CB-CB 4.44Å; P145-D178 WeakPolarHBondContact CD-OD2 3.25Å; P145-D178 HydrophobicContact CG-CB 4.41Å; P145-D178 WeakPolarHBondContact CG-OD2 3.34Å; P145-D178 VanDerWaalsContact N-OD2 3.17Å; D178-D180 PolarHBondContact OD1-N 3.23Å; D178-D180 VanDerWaalsContact OD1-N 3.13Å; D178-I187 HydrophobicContact CB-CD1 4.12Å; D178-I187 HydrophobicContact CB-CG1 4.26Å
179I88.9Confident86Confident82 Ų8244 Ų4442%0.42128%0.275SS..  trans-90.9-13.5-173.562.3175.2000112.5D106 N143D106-I179 HydrophobicContact CB-CD1 4.04Å; D106-I179 HydrophobicContact CB-CG1 4.32Å; N143-I179 HydrophobicContact CB-CD1 4.36Å; N143-I179 HydrophobicContact CB-CG1 3.83Å
180D90.6Very high86.4Confident8 Ų845 Ų454%0.04328%0.277CS..SBendtrans-62.9160.9173.8-62.5-4.9000110.3N141 D142 N143 D178 N184 G185N141-D180 VanDerWaalsContact CA-OD2 3.3Å; N141-D180 WeakPolarHBondContact CA-OD2 3.34Å; N141-D180 PolarHBondContact OD1-OD2 3.1Å; D142-D180 PolarHBondContact N-OD2 2.98Å; N143-D180 WeakPolarHBondContact CB-OD1 3.42Å; N143-D180 PolarHBondContact N-OD1 3.44Å; N143-D180 PolarHBondContact N-OD2 2.98Å; N143-D180 PolarHBondContact ND2-OD1 3.23Å; D178-D180 PolarHBondContact OD1-N 3.23Å; D178-D180 VanDerWaalsContact OD1-N 3.13Å; D180-N184 HydrophobicContact CB-CB 3.63Å; D180-G185 WeakPolarHBondContact O-CA 3.36Å; D180-G185 PolarHBondContact O-N 3.34Å
181D85.4Confident86.7Confident88 Ų8846 Ų4647%0.47128%0.283SS..  trans-100.7161.5-177.1-168.819.7000113.5R105 D139 N184R105-D181 IonicContact CZ-OD2 2.84Å; R105-D181 IonicContact NH1-OD2 2.77Å; R105-D181 PolarHBondContact NH1-OD2 2.86Å; R105-D181 VanDerWaalsContact NH1-OD2 3.15Å; R105-D181 IonicContact NH2-OD2 2.8Å; R105-D181 PolarHBondContact NH2-OD2 2.76Å; D139-D181 HydrophobicContact CB-CB 4.43Å; D139-D181 WeakPolarHBondContact OD1-CB 3.24Å; D139-D181 PolarHBondContact OD1-N 2.82Å; D139-D181 PolarHBondContact OD2-N 2.68Å; D181-N184 PolarHBondContact O-N 3.04Å
182G85.1Confident87.3Confident33 Ų3346.2 Ų46.234%0.3428%0.276SS..THydrogen-bonded Turntrans62.6-136.3175.300000112.7N184 G185 Q186G182-N184 VanDerWaalsContact C-N 3.28Å; G182-N184 PolarHBondContact O-N 2.79Å; G182-G185 PolarHBondContact O-N 3.21Å; G182-Q186 WeakPolarHBondContact O-CG 3.35Å; G182-Q186 PolarHBondContact O-N 2.74Å
183P86.3Confident87.9Confident57 Ų5749 Ų4937%0.3727%0.266SS..THydrogen-bonded Turntrans-66.1-24.8178.8-20.533.2000114.5Q186 R237P183-Q186 PolarHBondContact O-N 2.89Å; P183-R237 WeakPolarHBondContact CB-O 3.25Å; P183-R237 CarbonylContact O-C 3.6Å; P183-R237 VanDerWaalsContact O-C 3.23Å; P183-R237 VanDerWaalsContact O-CA 3.3Å; P183-R237 WeakPolarHBondContact O-CA 3.34Å; P183-R237 VanDerWaalsContact O-CB 3.28Å; P183-R237 WeakPolarHBondContact O-CB 3.34Å; P183-R237 PolarHBondContact O-N 2.78Å; P183-R237 VanDerWaalsContact O-N 3.14Å
184N87.1Confident88.6Confident25 Ų2542.7 Ų42.713%0.13423%0.232CC..THydrogen-bonded Turntrans-68.3-42.2177.1-64.1-14.6000109.8D139 N141 D180 D181 G182 Q186 D236D139-N184 PolarHBondContact OD2-ND2 2.92Å; N141-N184 HydrophobicContact CB-CB 4.28Å; N141-N184 WeakPolarHBondContact OD1-CB 3.35Å; D180-N184 HydrophobicContact CB-CB 3.63Å; D181-N184 PolarHBondContact O-N 3.04Å; G182-N184 VanDerWaalsContact C-N 3.28Å; G182-N184 PolarHBondContact O-N 2.79Å; N184-Q186 VanDerWaalsContact C-N 3.28Å; N184-Q186 PolarHBondContact O-N 3.13Å; N184-D236 WeakPolarHBondContact O-CB 3.13Å
185G86Confident88.7Confident20 Ų2044.9 Ų44.921%0.20625%0.25CC..SBendtrans-71.6-9.8172.300000116.7D180 G182D180-G185 WeakPolarHBondContact O-CA 3.36Å; D180-G185 PolarHBondContact O-N 3.34Å; G182-G185 PolarHBondContact O-N 3.21Å
186Q89.1Confident88.7Confident87 Ų8753.4 Ų53.441%0.40729%0.289SS..  trans-89.3130.9-176.5-78.3177.618.800111.9G182 P183 N184 D236 R237G182-Q186 WeakPolarHBondContact O-CG 3.35Å; G182-Q186 PolarHBondContact O-N 2.74Å; P183-Q186 PolarHBondContact O-N 2.89Å; N184-Q186 VanDerWaalsContact C-N 3.28Å; N184-Q186 PolarHBondContact O-N 3.13Å; Q186-D236 CarbonylContact O-C 3.5Å; Q186-D236 WeakPolarHBondContact O-CA 3.2Å; Q186-R237 HydrophobicContact CB-CB 4.35Å; Q186-R237 HydrophobicContact CB-CG 4.37Å; Q186-R237 WeakPolarHBondContact O-CG 3.01Å; Q186-R237 PolarHBondContact O-N 2.91Å
187I89.8Confident88.7Confident22 Ų2253 Ų5311%0.11329%0.286CS..EExtended strand (participates in β ladder)trans-106.8136.3-172.2-61.1163.4000111.8P145 A176 D178 Y189 A234 N235P145-I187 HydrophobicContact CB-CD1 4.14Å; P145-I187 HydrophobicContact CB-CG1 4.21Å; P145-I187 HydrophobicContact CG-CG1 4.32Å; A176-I187 HydrophobicContact CB-CD1 3.87Å; A176-I187 HydrophobicContact CB-CG2 4.35Å; A176-I187 WeakPolarHBondContact O-CD1 3.25Å; D178-I187 HydrophobicContact CB-CD1 4.12Å; D178-I187 HydrophobicContact CB-CG1 4.26Å; I187-Y189 HydrophobicContact CG2-CD1 4.45Å; I187-Y189 HydrophobicContact CG2-CD2 4.44Å; I187-Y189 HydrophobicContact CG2-CE1 4.04Å; I187-Y189 HydrophobicContact CG2-CE2 4.02Å; I187-A234 HydrophobicContact CG2-CB 3.76Å; I187-N235 CarbonylContact C-O 3.59Å; I187-N235 WeakPolarHBondContact CA-O 3.41Å
188E89.8Confident88.5Confident32 Ų3252.7 Ų52.715%0.1529%0.285CS..EExtended strand (participates in β ladder)trans-113.3133166.958.9176.2-142.700110.3M209 A234 N235 R237 R244E188-M209 HydrophobicContact CB-CB 4.25Å; E188-A234 WeakPolarHBondContact O-CA 3.34Å; E188-N235 HydrophobicContact CG-CB 3.68Å; E188-N235 WeakPolarHBondContact CG-O 3.38Å; E188-N235 PolarHBondContact N-O 2.79Å; E188-N235 PolarHBondContact O-N 3.42Å; E188-N235 PolarHBondContact OE1-ND2 3.33Å; E188-R237 HydrophobicContact CB-CG 4.49Å; E188-R237 HydrophobicContact CG-CG 4.3Å; E188-R244 IonicContact OE1-CZ 2.75Å; E188-R244 IonicContact OE1-NH1 2.66Å; E188-R244 PolarHBondContact OE1-NH1 3.08Å; E188-R244 IonicContact OE2-CZ 2.71Å; E188-R244 IonicContact OE2-NH1 3.62Å; E188-R244 PolarHBondContact OE2-NH1 2.91Å; E188-R244 IonicContact OE2-NH2 3.06Å
189Y91.8Very high88.3Confident11 Ų1154.6 Ų54.64%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-102.1133.2177.7-61.1-81.6000110.8F147 F170 A176 I187 M209 I232 Q233 A234F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CZ-CD1 4.19Å; F147-Y189 AromaticContact CZ-CE1 3.91Å; F147-Y189 HydrophobicContact CZ-CE1 3.91Å; F170-Y189 HydrophobicContact CB-CE1 4.35Å; F170-Y189 HydrophobicContact CB-CE2 4.32Å; F170-Y189 HydrophobicContact CG-CE1 4.3Å; A176-Y189 HydrophobicContact CB-CE1 4.02Å; A176-Y189 PolarHBondContact N-OH 3.29Å; A176-Y189 PolarHBondContact O-OH 3.19Å; I187-Y189 HydrophobicContact CG2-CD1 4.45Å; I187-Y189 HydrophobicContact CG2-CD2 4.44Å; I187-Y189 HydrophobicContact CG2-CE1 4.04Å; I187-Y189 HydrophobicContact CG2-CE2 4.02Å; Y189-M209 WeakPolarHBondContact CD2-O 2.89Å; Y189-M209 PolarHBondContact N-O 2.93Å; Y189-I232 HydrophobicContact CD1-CG2 4.09Å; Y189-Q233 WeakPolarHBondContact CA-O 3.45Å; Y189-A234 HydrophobicContact CD1-CB 4.09Å; Y189-A234 HydrophobicContact CE1-CB 3.98Å
190V91.1Very high88.2Confident37 Ų3750.7 Ų50.722%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-137.7150.7174.4-64.90000110.7M209 Q233V190-M209 HydrophobicContact CG1-CE 4.43Å; V190-M209 HydrophobicContact CG1-CG 4.37Å; V190-M209 HydrophobicContact CG1-SD 4.27Å; V190-Q233 HydrophobicContact CG2-CB 3.95Å; V190-Q233 HydrophobicContact CG2-CG 4.37Å; V190-Q233 PolarHBondContact N-O 3.46Å; V190-Q233 PolarHBondContact O-N 3.42Å
191I90.7Very high88Confident28 Ų2853.1 Ų53.114%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-82.6121.5172.3-62.3177.2000108F204 I206 V230 I232I191-F204 HydrophobicContact CD1-CB 3.89Å; I191-F204 WeakPolarHBondContact CD1-O 3.14Å; I191-I206 HydrophobicContact CD1-CG1 4.08Å; I191-I206 HydrophobicContact CG1-CD1 3.75Å; I191-I206 HydrophobicContact CG1-CG1 3.84Å; I191-V230 HydrophobicContact CD1-CG1 4.04Å; I191-V230 HydrophobicContact CG1-CG1 4.05Å; I191-V230 HydrophobicContact CG2-CG1 3.75Å; I191-I232 HydrophobicContact CG1-CD1 4.06Å
192Q89.9Confident88Confident76 Ų7652.2 Ų52.236%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-86.6140173.6-172-179.84.200109.6N194 I231 Q233 T248Q192-N194 PolarHBondContact O-N 2.78Å; Q192-N194 VanDerWaalsContact O-N 3.15Å; Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.92Å; Q192-I231 PolarHBondContact N-O 3.05Å; Q192-Q233 HydrophobicContact CB-CB 4.28Å; Q192-T248 VanDerWaalsContact OE1-CG2 3.28Å
193Y90.4Very high88.2Confident126 Ų12651.1 Ų51.149%0.49427%0.272SS..PPolyproline II helixtrans-59.7119.4173.3177.4-98.3000110.4P195 P198 N201Y193-P195 HydrophobicContact CD1-CG 4.31Å; Y193-P195 HydrophobicContact CE1-CB 4.27Å; Y193-P195 HydrophobicContact CE1-CG 4.19Å; Y193-P195 WeakPolarHBondContact O-CD 3.25Å; Y193-P198 HydrophobicContact CE2-CB 4.08Å; Y193-N201 HydrophobicContact CD2-CB 4.3Å
194N90.2Very high88.6Confident8 Ų848.5 Ų48.54%0.04326%0.255CS..  trans-94.3113.4174.4-174.3-2.5000110Q192 E196 D197 Y229 I231Q192-N194 PolarHBondContact O-N 2.78Å; Q192-N194 VanDerWaalsContact O-N 3.15Å; N194-E196 PolarHBondContact O-N 2.87Å; N194-E196 WeakPolarHBondContact OD1-CB 3.32Å; N194-E196 PolarHBondContact OD1-N 3.47Å; N194-D197 HydrophobicContact CB-CB 4.42Å; N194-D197 CarbonylContact O-C 3.59Å; N194-D197 PolarHBondContact O-N 3.35Å; N194-Y229 PolarHBondContact ND2-O 3.48Å; N194-I231 HydrophobicContact CB-CD1 3.74Å; N194-I231 HydrophobicContact CB-CG1 4Å
195P86.9Confident88.7Confident98 Ų9851.4 Ų51.464%0.63627%0.268SS*.SBendtrans-64.2-28.1177.2-18.731.6000113.7Y193 D197Y193-P195 HydrophobicContact CD1-CG 4.31Å; Y193-P195 HydrophobicContact CE1-CB 4.27Å; Y193-P195 HydrophobicContact CE1-CG 4.19Å; Y193-P195 WeakPolarHBondContact O-CD 3.25Å; P195-D197 VanDerWaalsContact C-N 3.33Å
196E84.6Confident88.9Confident180 Ų18051.3 Ų51.384%0.84126%0.262SS*.SBendtrans-77-24.7178-60.1-174.516800111.8N194N194-E196 PolarHBondContact O-N 2.87Å; N194-E196 WeakPolarHBondContact OD1-CB 3.32Å; N194-E196 PolarHBondContact OD1-N 3.47Å
197D88.2Confident88.8Confident2 Ų250.6 Ų50.61%0.01127%0.265CS..  trans-13577176.4-168.1-20.6000111.3N194 P195 T199 S200 K225 Y228 Y229N194-D197 HydrophobicContact CB-CB 4.42Å; N194-D197 CarbonylContact O-C 3.59Å; N194-D197 PolarHBondContact O-N 3.35Å; P195-D197 VanDerWaalsContact C-N 3.33Å; D197-T199 PolarHBondContact O-N 3.29Å; D197-T199 PolarHBondContact OD1-N 2.71Å; D197-T199 PolarHBondContact OD1-OG1 2.79Å; D197-S200 WeakPolarHBondContact O-CB 3.38Å; D197-S200 PolarHBondContact O-N 2.87Å; D197-S200 PolarHBondContact O-OG 3.12Å; D197-S200 PolarHBondContact OD1-N 2.73Å; D197-S200 VanDerWaalsContact OD1-N 3.13Å; D197-K225 IonicContact OD1-NZ 3.57Å; D197-K225 PolarHBondContact OD1-NZ 3.38Å; D197-K225 WeakPolarHBondContact OD2-CE 3.39Å; D197-K225 IonicContact OD2-NZ 3.61Å; D197-K225 PolarHBondContact OD2-NZ 2.87Å; D197-Y228 WeakPolarHBondContact OD2-CA 3.38Å; D197-Y229 PolarHBondContact OD2-N 3.2Å; D197-Y229 VanDerWaalsContact OD2-N 3.09Å
198P86.1Confident88.7Confident65 Ų6554.9 Ų54.942%0.42229%0.288SS..THydrogen-bonded Turntrans-65.9-24.5-176.824.6-33.3000113Y193 S200Y193-P198 HydrophobicContact CE2-CB 4.08Å; P198-S200 VanDerWaalsContact C-N 3.32Å; P198-S200 PolarHBondContact O-N 3.14Å
199T86.4Confident88.6Confident62 Ų6258.2 Ų58.238%0.3830%0.304SS..THydrogen-bonded Turntrans-69.6-28.5178.546.30000112.8D197 N201 D202 T203 K225D197-T199 PolarHBondContact O-N 3.29Å; D197-T199 PolarHBondContact OD1-N 2.71Å; D197-T199 PolarHBondContact OD1-OG1 2.79Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact O-N 2.73Å; T199-D202 WeakPolarHBondContact O-CB 3.18Å; T199-D202 PolarHBondContact O-N 3.05Å; T199-D202 VanDerWaalsContact O-N 3.08Å; T199-T203 PolarHBondContact O-N 3.39Å; T199-T203 PolarHBondContact O-OG1 3.42Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å
200S87.1Confident88.3Confident0 Ų063.1 Ų63.10%033%0.331CS..Hα-helixtrans-55.3-43.6-178.163.80000113.8D197 P198 D202 T203 F204D197-S200 WeakPolarHBondContact O-CB 3.38Å; D197-S200 PolarHBondContact O-N 2.87Å; D197-S200 PolarHBondContact O-OG 3.12Å; D197-S200 PolarHBondContact OD1-N 2.73Å; D197-S200 VanDerWaalsContact OD1-N 3.13Å; P198-S200 VanDerWaalsContact C-N 3.32Å; P198-S200 PolarHBondContact O-N 3.14Å; S200-D202 PolarHBondContact O-N 3.24Å; S200-T203 PolarHBondContact O-N 3.17Å; S200-F204 WeakPolarHBondContact O-CD2 2.99Å; S200-F204 PolarHBondContact O-N 2.89Å
201N85.7Confident87.9Confident58 Ų5864 Ų6431%0.3134%0.337SS..Hα-helixtrans-65.2-26.5-179.9-176.646.2000113.3Y193 T199Y193-N201 HydrophobicContact CD2-CB 4.3Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact O-N 2.73Å
202D85.8Confident87.7Confident70 Ų7062.7 Ų62.737%0.37433%0.33SS..Hα-helixtrans-88.7-28.7179-98.315.3000112.2T199 S200 K218T199-D202 WeakPolarHBondContact O-CB 3.18Å; T199-D202 PolarHBondContact O-N 3.05Å; T199-D202 VanDerWaalsContact O-N 3.08Å; S200-D202 PolarHBondContact O-N 3.24Å; D202-K218 HydrophobicContact CB-CD 4.3Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CG 3.36Å; D202-K218 IonicContact OD2-NZ 3.54Å; D202-K218 PolarHBondContact OD2-NZ 3.13Å
203T90Very high87.7Confident9 Ų961 Ų616%0.05532%0.323CS..Hα-helixtrans-87.7-32-175.1-56.10000113T199 S200 L216 R217 K218 L220 Y228T199-T203 PolarHBondContact O-N 3.39Å; T199-T203 PolarHBondContact O-OG1 3.42Å; S200-T203 PolarHBondContact O-N 3.17Å; T203-L216 HydrophobicContact CG2-CD1 3.97Å; T203-R217 WeakPolarHBondContact O-CA 3.39Å; T203-R217 WeakPolarHBondContact O-CB 2.97Å; T203-R217 PolarHBondContact O-N 3.39Å; T203-K218 PolarHBondContact O-N 3.19Å; T203-L220 HydrophobicContact CG2-CD2 3.52Å; T203-Y228 HydrophobicContact CG2-CE1 4.27Å
204F93.1Very high87.7Confident2 Ų255 Ų551%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-120.3152.2-177.9-55.2-73.6000112.2I166 I191 S200 V214 V215 L216 L220 Y228 V230 V253I166-F204 HydrophobicContact CD1-CD1 3.47Å; I166-F204 VanDerWaalsContact CD1-CD1 3.47Å; I166-F204 HydrophobicContact CD1-CE1 3.39Å; I166-F204 HydrophobicContact CD1-CZ 4.4Å; I166-F204 HydrophobicContact CG1-CD1 4.42Å; I191-F204 HydrophobicContact CD1-CB 3.89Å; I191-F204 WeakPolarHBondContact CD1-O 3.14Å; S200-F204 WeakPolarHBondContact O-CD2 2.99Å; S200-F204 PolarHBondContact O-N 2.89Å; F204-V214 HydrophobicContact CB-CG1 3.94Å; F204-V214 HydrophobicContact CD1-CG1 4.33Å; F204-V214 HydrophobicContact CG-CG1 4.4Å; F204-V215 WeakPolarHBondContact CA-O 3.14Å; F204-L216 HydrophobicContact CD1-CD1 4.13Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; F204-L220 HydrophobicContact CZ-CD2 4.46Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.02Å; F204-Y228 AromaticContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CZ-CD2 4Å; F204-Y228 HydrophobicContact CZ-CG 4.02Å; F204-V230 HydrophobicContact CD2-CG2 3.43Å; F204-V230 VanDerWaalsContact CD2-CG2 3.43Å; F204-V230 HydrophobicContact CE2-CG2 3.84Å; F204-V230 HydrophobicContact CG-CG2 4.11Å; F204-V253 HydrophobicContact CE1-CG1 4.22Å; F204-V253 HydrophobicContact CZ-CB 4.13Å; F204-V253 HydrophobicContact CZ-CG1 3.92Å; F204-V253 HydrophobicContact CZ-CG2 4.34Å
205E90.7Very high87.7Confident87 Ų8755.7 Ų55.741%0.40730%0.304SS..EExtended strand (participates in β ladder)trans-142.8147179.4-173.9173.7171.100111P207 V215 R217E205-P207 WeakPolarHBondContact O-CD 3.47Å; E205-V215 PolarHBondContact N-O 3.12Å; E205-V215 PolarHBondContact O-N 2.77Å; E205-R217 HydrophobicContact CB-CB 4.27Å; E205-R217 WeakPolarHBondContact OE2-CD 3.2Å; E205-R217 IonicContact OE2-NE 3.83Å
206I90.2Very high88Confident17 Ų1751 Ų519%0.08727%0.274CS..  trans-109.394.4166.9-61.3170.7000107.6I191 L208 V214 I232I191-I206 HydrophobicContact CD1-CG1 4.08Å; I191-I206 HydrophobicContact CG1-CD1 3.75Å; I191-I206 HydrophobicContact CG1-CG1 3.84Å; I206-L208 VanDerWaalsContact C-N 3.33Å; I206-L208 PolarHBondContact O-N 3.17Å; I206-V214 HydrophobicContact CD1-CG2 4.38Å; I206-V214 HydrophobicContact CG1-CG2 4.05Å; I206-I232 HydrophobicContact CD1-CD1 3.95Å; I206-I232 HydrophobicContact CD1-CG2 4.45Å
207P86.2Confident88.2Confident73 Ų7348.6 Ų48.647%0.47426%0.257SS..SBendtrans-70.5-29.5-176.525.1-32.9000112.9E205 V215E205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-V215 HydrophobicContact CG-CB 4.4Å; P207-V215 HydrophobicContact CG-CG2 3.76Å
208L87.7Confident88.3Confident112 Ų11253 Ų5359%0.58628%0.276SS*.  trans-117.296.9179.3-68.1174.4000110.2I206 L210 T211 G212I206-L208 VanDerWaalsContact C-N 3.33Å; I206-L208 PolarHBondContact O-N 3.17Å; L208-L210 PolarHBondContact O-N 2.76Å; L208-L210 VanDerWaalsContact O-N 3.1Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.97Å; L208-T211 VanDerWaalsContact O-N 3.13Å; L208-T211 PolarHBondContact O-OG1 3Å; L208-G212 PolarHBondContact O-N 3.35Å
209M87.2Confident88.4Confident101 Ų10158.1 Ų58.150%0.49829%0.287SS..THydrogen-bonded Turntrans-59.2-25.9-174.6-60.6174.7-17600113.8E188 Y189 V190E188-M209 HydrophobicContact CB-CB 4.25Å; Y189-M209 WeakPolarHBondContact CD2-O 2.89Å; Y189-M209 PolarHBondContact N-O 2.93Å; V190-M209 HydrophobicContact CG1-CE 4.43Å; V190-M209 HydrophobicContact CG1-CG 4.37Å; V190-M209 HydrophobicContact CG1-SD 4.27Å
210L85.4Confident88.6Confident115 Ų11555.5 Ų55.560%0.60227%0.27SS*.THydrogen-bonded Turntrans-80.8-24.9-179.3-68.9169.1000113.7L208L208-L210 PolarHBondContact O-N 2.76Å; L208-L210 VanDerWaalsContact O-N 3.1Å
211T84.3Confident88.6Confident56 Ų5658 Ų5834%0.34428%0.284SS..THydrogen-bonded Turntrans-96-24.2179.863.60000112.2L208 N213L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.97Å; L208-T211 VanDerWaalsContact O-N 3.13Å; L208-T211 PolarHBondContact O-OG1 3Å; T211-N213 PolarHBondContact O-N 3.1Å; T211-N213 PolarHBondContact OG1-ND2 2.9Å
212G85Confident88.8Confident0 Ų056.6 Ų56.60%027%0.274CS..  trans71.510.6-177.900000114.2F170 L208 V214F170-G212 VanDerWaalsContact CD2-O 3.28Å; F170-G212 WeakPolarHBondContact CD2-O 3.33Å; L208-G212 PolarHBondContact O-N 3.35Å; G212-V214 PolarHBondContact O-N 2.92Å
213N89.9Confident88.8Confident41 Ų4154 Ų5422%0.21926%0.26CS..  trans-64.8122.5-178.6-67.9-16.9000110.7T165 F167 T211T165-N213 HydrophobicContact CG2-CB 3.96Å; F167-N213 WeakPolarHBondContact O-CA 3.44Å; T211-N213 PolarHBondContact O-N 3.1Å; T211-N213 PolarHBondContact OG1-ND2 2.9Å
214V91.1Very high88.6Confident0 Ų058.3 Ų58.30%028%0.283CS..EExtended strand (participates in β ladder)trans-90.6127.7179.3-172.60000109.2T165 I166 F167 F170 F204 I206 G212 I232 L251T165-V214 CarbonylContact C-O 3.56Å; I166-V214 HydrophobicContact CD1-CG1 4.01Å; I166-V214 HydrophobicContact CG1-CB 4.15Å; I166-V214 HydrophobicContact CG1-CG1 4.02Å; I166-V214 VanDerWaalsContact CG1-O 3.3Å; I166-V214 WeakPolarHBondContact CG1-O 3.26Å; I166-V214 PolarHBondContact N-O 2.98Å; F167-V214 HydrophobicContact CB-CB 4.12Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.28Å; F167-V214 PolarHBondContact N-O 3.01Å; F167-V214 PolarHBondContact O-N 2.79Å; F170-V214 HydrophobicContact CE2-CG2 4.3Å; F204-V214 HydrophobicContact CB-CG1 3.94Å; F204-V214 HydrophobicContact CD1-CG1 4.33Å; F204-V214 HydrophobicContact CG-CG1 4.4Å; I206-V214 HydrophobicContact CD1-CG2 4.38Å; I206-V214 HydrophobicContact CG1-CG2 4.05Å; G212-V214 PolarHBondContact O-N 2.92Å; V214-I232 HydrophobicContact CG2-CD1 4.2Å; V214-L251 HydrophobicContact CB-CD2 4.41Å; V214-L251 HydrophobicContact CG1-CD2 4.45Å; V214-L251 HydrophobicContact CG2-CD2 3.87Å
215V91.1Very high88.3Confident21 Ų2161.1 Ų61.113%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-119.4143.5-175.2-1800000109.9G163 T164 F204 E205 P207 R217G163-V215 VanDerWaalsContact C-CG1 3.45Å; G163-V215 WeakPolarHBondContact O-CG1 3.49Å; T164-V215 WeakPolarHBondContact O-CA 3.47Å; F204-V215 WeakPolarHBondContact CA-O 3.14Å; E205-V215 PolarHBondContact N-O 3.12Å; E205-V215 PolarHBondContact O-N 2.77Å; P207-V215 HydrophobicContact CG-CB 4.4Å; P207-V215 HydrophobicContact CG-CG2 3.76Å; V215-R217 PolarHBondContact O-N 3.34Å
216L93.1Very high88.2Confident1 Ų160.1 Ų60.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-74.7122.2175.2-172.766.7000110.8T160 V162 G163 T164 I166 T203 F204 K218 L220T160-L216 HydrophobicContact CG2-CD2 4.4Å; T160-L216 WeakPolarHBondContact O-CD2 3.25Å; V162-L216 WeakPolarHBondContact CG1-O 3.28Å; G163-L216 PolarHBondContact N-O 2.88Å; T164-L216 PolarHBondContact O-N 2.88Å; I166-L216 HydrophobicContact CG2-CB 4.2Å; T203-L216 HydrophobicContact CG2-CD1 3.97Å; F204-L216 HydrophobicContact CD1-CD1 4.13Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; L216-K218 WeakPolarHBondContact CD1-O 3.48Å; L216-K218 WeakPolarHBondContact CG-O 3.16Å; L216-L220 HydrophobicContact CD1-CD1 3.99Å; L216-L220 HydrophobicContact CD1-CD2 3.83Å; L216-L220 HydrophobicContact CD1-CG 3.77Å; L216-L220 HydrophobicContact CD2-CD1 4.25Å; L216-L220 HydrophobicContact CD2-CG 4.17Å
217R89Confident88.2Confident128 Ų12864.5 Ų64.548%0.48331%0.31SS..  trans-102-29.9-177.8-171.7-178.1-177.8-159.60.1113.6V162 T203 E205 V215V162-R217 WeakPolarHBondContact CG1-O 3.33Å; T203-R217 WeakPolarHBondContact O-CA 3.39Å; T203-R217 WeakPolarHBondContact O-CB 2.97Å; T203-R217 PolarHBondContact O-N 3.39Å; E205-R217 HydrophobicContact CB-CB 4.27Å; E205-R217 WeakPolarHBondContact OE2-CD 3.2Å; E205-R217 IonicContact OE2-NE 3.83Å; V215-R217 PolarHBondContact O-N 3.34Å
218K89.4Confident88.6Confident95 Ų9561.8 Ų61.841%0.41329%0.291SS..SBendtrans-125.2151.6174.9-71.1-178.8-178.2178.80110.3D202 T203 L216D202-K218 HydrophobicContact CB-CD 4.3Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CG 3.36Å; D202-K218 IonicContact OD2-NZ 3.54Å; D202-K218 PolarHBondContact OD2-NZ 3.13Å; T203-K218 PolarHBondContact O-N 3.19Å; L216-K218 WeakPolarHBondContact CD1-O 3.48Å; L216-K218 WeakPolarHBondContact CG-O 3.16Å
219R87.7Confident88.8Confident173 Ų17361 Ų6165%0.65328%0.281SS*.  trans-65.6140.5176.7-166.6167.1179.6146.6-2.3109.5V162V162-R219 HydrophobicContact CG2-CB 4.15Å
220L90.4Very high89Confident6 Ų656.2 Ų56.23%0.03126%0.257CS..  trans-87.2156177.5-59.8173.4000109.5V156 E158 T203 F204 L216 Y228 V255V156-L220 HydrophobicContact CB-CD1 4.31Å; V156-L220 HydrophobicContact CG1-CD1 3.42Å; V156-L220 VanDerWaalsContact CG1-CD1 3.42Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; E158-L220 HydrophobicContact CB-CB 4.04Å; T203-L220 HydrophobicContact CG2-CD2 3.52Å; F204-L220 HydrophobicContact CZ-CD2 4.46Å; L216-L220 HydrophobicContact CD1-CD1 3.99Å; L216-L220 HydrophobicContact CD1-CD2 3.83Å; L216-L220 HydrophobicContact CD1-CG 3.77Å; L216-L220 HydrophobicContact CD2-CD1 4.25Å; L216-L220 HydrophobicContact CD2-CG 4.17Å; L220-Y228 HydrophobicContact CD2-CE2 3.78Å; L220-V255 HydrophobicContact CB-CG1 4.26Å; L220-V255 HydrophobicContact CD1-CG1 4.3Å; L220-V255 HydrophobicContact CD1-CG2 4.24Å; L220-V255 HydrophobicContact CD2-CG2 4.47Å
221N87.7Confident89.3Confident52 Ų5252.2 Ų52.228%0.27824%0.236SC..  trans-146.1109.3173.9179.71.1000106.6E158 E223 D224 K225E158-N221 WeakPolarHBondContact OE2-CA 3.35Å; N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.37Å; N221-E223 PolarHBondContact OD1-N 3.26Å; N221-E223 PolarHBondContact OD1-OE2 2.87Å; N221-D224 HydrophobicContact CB-CB 4.28Å; N221-D224 PolarHBondContact ND2-OD2 3.11Å; N221-D224 PolarHBondContact O-N 2.75Å; N221-K225 PolarHBondContact O-N 3.24Å; N221-K225 VanDerWaalsContact O-N 3.11Å
222Y90.2Very high89.7Confident29 Ų2949.5 Ų49.511%0.11422%0.219CC..THydrogen-bonded Turntrans-63.1-37.6-175.4-178.5-91.8000111E158 D224 K225 T226 V255 D257 R311 N312E158-Y222 WeakPolarHBondContact OE1-CB 3.14Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.22Å; E158-Y222 PolarHBondContact OE2-N 2.8Å; Y222-D224 PolarHBondContact O-N 3.03Å; Y222-D224 VanDerWaalsContact O-N 3.17Å; Y222-K225 PolarHBondContact O-N 2.64Å; Y222-T226 HydrophobicContact CD1-CG2 4.17Å; Y222-T226 HydrophobicContact CD2-CG2 3.81Å; Y222-T226 HydrophobicContact CE1-CG2 3.88Å; Y222-T226 HydrophobicContact CE2-CG2 3.49Å; Y222-T226 VanDerWaalsContact CE2-CG2 3.49Å; Y222-T226 HydrophobicContact CG-CG2 4.12Å; Y222-T226 WeakPolarHBondContact O-CG2 3.05Å; Y222-V255 HydrophobicContact CD2-CB 4.13Å; Y222-V255 HydrophobicContact CD2-CG1 4.12Å; Y222-V255 VanDerWaalsContact CD2-O 3.29Å; Y222-V255 WeakPolarHBondContact CD2-O 3.16Å; Y222-V255 WeakPolarHBondContact CE2-O 3.27Å; Y222-D257 HydrophobicContact CD1-CB 3.59Å; Y222-D257 WeakPolarHBondContact CD1-OD2 3.33Å; Y222-D257 HydrophobicContact CD2-CB 3.84Å; Y222-D257 HydrophobicContact CE1-CB 3.74Å; Y222-D257 WeakPolarHBondContact CE1-OD2 3.41Å; Y222-D257 HydrophobicContact CE2-CB 3.98Å; Y222-D257 HydrophobicContact CG-CB 3.65Å; Y222-R311 HydrophobicContact CE1-CB 4.14Å; Y222-N312 HydrophobicContact CE1-CB 4.08Å; Y222-N312 WeakPolarHBondContact OH-CB 3.39Å; Y222-N312 PolarHBondContact OH-ND2 3Å
223E86.4Confident90Very high15 Ų1551.4 Ų51.47%0.0723%0.228CC..THydrogen-bonded Turntrans-62.6-27.1-179.5-79.550.5-109.600112.6N221 L261 R311N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.37Å; N221-E223 PolarHBondContact OD1-N 3.26Å; N221-E223 PolarHBondContact OD1-OE2 2.87Å; E223-L261 HydrophobicContact CG-CD1 3.91Å; E223-R311 PolarHBondContact O-NH1 3.33Å
224D84Confident90.1Very high101 Ų10149.5 Ų49.554%0.5422%0.218SC..THydrogen-bonded Turntrans-90.5-44.8178.3-71.3-19.6000112.1N221 Y222 R275N221-D224 HydrophobicContact CB-CB 4.28Å; N221-D224 PolarHBondContact ND2-OD2 3.11Å; N221-D224 PolarHBondContact O-N 2.75Å; Y222-D224 PolarHBondContact O-N 3.03Å; Y222-D224 VanDerWaalsContact O-N 3.17Å; D224-R275 IonicContact OD1-CZ 3.24Å; D224-R275 VanDerWaalsContact OD1-CZ 3.31Å; D224-R275 IonicContact OD1-NH1 3.57Å; D224-R275 PolarHBondContact OD1-NH1 3.02Å; D224-R275 IonicContact OD1-NH2 3.87Å; D224-R275 PolarHBondContact OD1-NH2 2.94Å
225K87Confident90.1Very high61 Ų6150 Ų5027%0.26522%0.221SC..  trans-157.2122-178.9-173.7162176.4166.60113.5D197 T199 N221 Y222 R227 Y228D197-K225 IonicContact OD1-NZ 3.57Å; D197-K225 PolarHBondContact OD1-NZ 3.38Å; D197-K225 WeakPolarHBondContact OD2-CE 3.39Å; D197-K225 IonicContact OD2-NZ 3.61Å; D197-K225 PolarHBondContact OD2-NZ 2.87Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å; N221-K225 PolarHBondContact O-N 3.24Å; N221-K225 VanDerWaalsContact O-N 3.11Å; Y222-K225 PolarHBondContact O-N 2.64Å; K225-R227 WeakPolarHBondContact CE-O 3.37Å; K225-Y228 HydrophobicContact CD-CD1 4.25Å; K225-Y228 HydrophobicContact CD-CE1 3.8Å; K225-Y228 HydrophobicContact CG-CE1 4.34Å; K225-Y228 HydrophobicContact CG-CE2 4.25Å
226T88.5Confident90.1Very high66 Ų6649 Ų4941%0.40522%0.215SC..SBendtrans-94.6-13.4-172.860.50000115.2Y222 V255Y222-T226 HydrophobicContact CD1-CG2 4.17Å; Y222-T226 HydrophobicContact CD2-CG2 3.81Å; Y222-T226 HydrophobicContact CE1-CG2 3.88Å; Y222-T226 HydrophobicContact CE2-CG2 3.49Å; Y222-T226 VanDerWaalsContact CE2-CG2 3.49Å; Y222-T226 HydrophobicContact CG-CG2 4.12Å; Y222-T226 WeakPolarHBondContact O-CG2 3.05Å; T226-V255 PolarHBondContact O-N 2.9Å
227R91.5Very high89.8Confident108 Ų10853.5 Ų53.541%0.40823%0.232SC..EExtended strand (participates in β ladder)trans-148.1139.2-176.1178.7172.4-70164.3-3.2111.9K225 Y229 T252 V253 D254K225-R227 WeakPolarHBondContact CE-O 3.37Å; R227-Y229 VanDerWaalsContact CD-CZ 3.46Å; R227-Y229 WeakPolarHBondContact CD-OH 3.23Å; R227-Y229 HydrophobicContact CG-CE1 4.38Å; R227-Y229 HydrophobicContact CG-CE2 4.12Å; R227-T252 HydrophobicContact CG-CG2 4.02Å; R227-V253 WeakPolarHBondContact CA-O 3.23Å; R227-D254 WeakPolarHBondContact CG-OD1 3.43Å; R227-D254 IonicContact CZ-OD1 2.82Å; R227-D254 IonicContact CZ-OD2 3.19Å; R227-D254 IonicContact NE-OD1 2.99Å; R227-D254 PolarHBondContact NE-OD1 3.49Å; R227-D254 IonicContact NE-OD2 2.76Å; R227-D254 IonicContact NH2-OD1 3.89Å; R227-D254 PolarHBondContact NH2-OD1 3.35Å; R227-D254 IonicContact NH2-OD2 3.87Å; R227-D254 PolarHBondContact NH2-OD2 3.38Å
228Y93.2Very high89.7Confident17 Ų1747.4 Ų47.47%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-123.3141.7175.9-66.1-93.4000112D197 T203 F204 L220 K225 T252 V253 V255D197-Y228 WeakPolarHBondContact OD2-CA 3.38Å; T203-Y228 HydrophobicContact CG2-CE1 4.27Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.02Å; F204-Y228 AromaticContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CZ-CD2 4Å; F204-Y228 HydrophobicContact CZ-CG 4.02Å; L220-Y228 HydrophobicContact CD2-CE2 3.78Å; K225-Y228 HydrophobicContact CD-CD1 4.25Å; K225-Y228 HydrophobicContact CD-CE1 3.8Å; K225-Y228 HydrophobicContact CG-CE1 4.34Å; K225-Y228 HydrophobicContact CG-CE2 4.25Å; Y228-T252 WeakPolarHBondContact O-CA 3.28Å; Y228-V253 PolarHBondContact N-O 3.17Å; Y228-V253 PolarHBondContact O-N 3.29Å; Y228-V255 HydrophobicContact CD2-CG2 3.95Å; Y228-V255 HydrophobicContact CE2-CG2 3.71Å
229Y92.5Very high89.3Confident96 Ų9651.3 Ų51.338%0.37623%0.229SC..EExtended strand (participates in β ladder)trans-112.595.5175.8-61.6-76.8000110.4N194 D197 R227 T250 T252N194-Y229 PolarHBondContact ND2-O 3.48Å; D197-Y229 PolarHBondContact OD2-N 3.2Å; D197-Y229 VanDerWaalsContact OD2-N 3.09Å; R227-Y229 VanDerWaalsContact CD-CZ 3.46Å; R227-Y229 WeakPolarHBondContact CD-OH 3.23Å; R227-Y229 HydrophobicContact CG-CE1 4.38Å; R227-Y229 HydrophobicContact CG-CE2 4.12Å; Y229-T250 HydrophobicContact CD1-CG2 4.29Å; Y229-T252 HydrophobicContact CD1-CG2 4.22Å; Y229-T252 HydrophobicContact CE1-CG2 3.96Å
230V92.2Very high89Confident0 Ų047.5 Ų47.50%022%0.221CC..EExtended strand (participates in β ladder)trans-93.3116.6-177.6-169.80000108.9I191 F204 I232 L251 V253I191-V230 HydrophobicContact CD1-CG1 4.04Å; I191-V230 HydrophobicContact CG1-CG1 4.05Å; I191-V230 HydrophobicContact CG2-CG1 3.75Å; F204-V230 HydrophobicContact CD2-CG2 3.43Å; F204-V230 VanDerWaalsContact CD2-CG2 3.43Å; F204-V230 HydrophobicContact CE2-CG2 3.84Å; F204-V230 HydrophobicContact CG-CG2 4.11Å; V230-I232 HydrophobicContact CG1-CD1 3.74Å; V230-I232 PolarHBondContact O-N 3.05Å; V230-L251 HydrophobicContact CB-CB 4.29Å; V230-L251 PolarHBondContact N-O 3.46Å; V230-L251 PolarHBondContact O-N 3.06Å; V230-V253 HydrophobicContact CG2-CG2 4.26Å
231I91.7Very high88.4Confident30 Ų3053.3 Ų53.315%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-84116.6174.7-59.2175.9000108Q192 N194 T248Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.92Å; Q192-I231 PolarHBondContact N-O 3.05Å; N194-I231 HydrophobicContact CB-CD1 3.74Å; N194-I231 HydrophobicContact CB-CG1 4Å; I231-T248 HydrophobicContact CG2-CG2 4.21Å
232I91.8Very high88.1Confident0 Ų058.4 Ų58.40%028%0.279CS..EExtended strand (participates in β ladder)trans-100.1121.1177.7-52.8-68.6000107.7F147 F170 Y189 I191 I206 V214 V230 T248 T249 L251F147-I232 HydrophobicContact CZ-CG2 4.21Å; F170-I232 HydrophobicContact CE2-CB 4.46Å; F170-I232 HydrophobicContact CE2-CD1 4.4Å; F170-I232 HydrophobicContact CE2-CG1 4.11Å; F170-I232 HydrophobicContact CE2-CG2 3.85Å; F170-I232 HydrophobicContact CZ-CB 4.17Å; F170-I232 HydrophobicContact CZ-CG1 3.91Å; F170-I232 HydrophobicContact CZ-CG2 3.89Å; Y189-I232 HydrophobicContact CD1-CG2 4.09Å; I191-I232 HydrophobicContact CG1-CD1 4.06Å; I206-I232 HydrophobicContact CD1-CD1 3.95Å; I206-I232 HydrophobicContact CD1-CG2 4.45Å; V214-I232 HydrophobicContact CG2-CD1 4.2Å; V230-I232 HydrophobicContact CG1-CD1 3.74Å; V230-I232 PolarHBondContact O-N 3.05Å; I232-T248 CarbonylContact O-C 3.57Å; I232-T248 VanDerWaalsContact O-CA 3.27Å; I232-T248 WeakPolarHBondContact O-CA 3.14Å; I232-T249 HydrophobicContact CB-CG2 4.07Å; I232-T249 PolarHBondContact N-O 3.34Å; I232-T249 PolarHBondContact O-N 2.86Å; I232-L251 HydrophobicContact CG1-CB 3.94Å
233Q91.8Very high87.8Confident40 Ų4062.4 Ų62.419%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-104.4122.6177.7-176.2-176-26.300108.9Y189 V190 Q192 N235 T247 T248Y189-Q233 WeakPolarHBondContact CA-O 3.45Å; V190-Q233 HydrophobicContact CG2-CB 3.95Å; V190-Q233 HydrophobicContact CG2-CG 4.37Å; V190-Q233 PolarHBondContact N-O 3.46Å; V190-Q233 PolarHBondContact O-N 3.42Å; Q192-Q233 HydrophobicContact CB-CB 4.28Å; Q233-N235 VanDerWaalsContact CG-OD1 3.29Å; Q233-N235 WeakPolarHBondContact CG-OD1 3.35Å; Q233-N235 PolarHBondContact NE2-OD1 3.48Å; Q233-T247 CarbonylContact C-O 3.57Å; Q233-T247 WeakPolarHBondContact CA-O 3.38Å; Q233-T248 HydrophobicContact CB-CG2 4.07Å; Q233-T248 HydrophobicContact CG-CG2 4.02Å
234A91.4Very high87.8Confident0 Ų065 Ų650%031%0.308CS..EExtended strand (participates in β ladder)trans-97.2123.2169.800000108.7P145 F147 A176 I187 E188 Y189 T246 T247P145-A234 HydrophobicContact CB-CB 4.28Å; F147-A234 HydrophobicContact CE1-CB 4.48Å; F147-A234 HydrophobicContact CE2-CB 3.63Å; F147-A234 HydrophobicContact CZ-CB 3.55Å; A176-A234 HydrophobicContact CB-CB 3.77Å; I187-A234 HydrophobicContact CG2-CB 3.76Å; E188-A234 WeakPolarHBondContact O-CA 3.34Å; Y189-A234 HydrophobicContact CD1-CB 4.09Å; Y189-A234 HydrophobicContact CE1-CB 3.98Å; A234-T246 CarbonylContact O-C 3.49Å; A234-T246 VanDerWaalsContact O-CA 3.24Å; A234-T246 WeakPolarHBondContact O-CA 3.37Å; A234-T247 PolarHBondContact N-O 2.81Å; A234-T247 PolarHBondContact O-N 2.92Å
235N90.8Very high88Confident12 Ų1264.7 Ų64.76%0.06430%0.299CS..EExtended strand (participates in β ladder)trans-112.9142.8173.5-41.7-47.8000109.2I187 E188 Q233 T246I187-N235 CarbonylContact C-O 3.59Å; I187-N235 WeakPolarHBondContact CA-O 3.41Å; E188-N235 HydrophobicContact CG-CB 3.68Å; E188-N235 WeakPolarHBondContact CG-O 3.38Å; E188-N235 PolarHBondContact N-O 2.79Å; E188-N235 PolarHBondContact O-N 3.42Å; E188-N235 PolarHBondContact OE1-ND2 3.33Å; Q233-N235 VanDerWaalsContact CG-OD1 3.29Å; Q233-N235 WeakPolarHBondContact CG-OD1 3.35Å; Q233-N235 PolarHBondContact NE2-OD1 3.48Å; N235-T246 HydrophobicContact CB-CG2 3.99Å; N235-T246 WeakPolarHBondContact OD1-CB 3.41Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.36Å
236D90.8Very high88.2Confident0 Ų064.9 Ų64.90%031%0.306CS..EExtended strand (participates in β ladder)trans-67170.7160.666.650000111.3N141 P145 N184 Q186 A238 R244 R245N141-D236 PolarHBondContact ND2-OD2 2.94Å; N141-D236 PolarHBondContact OD1-OD2 2.93Å; P145-D236 HydrophobicContact CG-CB 4.18Å; N184-D236 WeakPolarHBondContact O-CB 3.13Å; Q186-D236 CarbonylContact O-C 3.5Å; Q186-D236 WeakPolarHBondContact O-CA 3.2Å; D236-A238 VanDerWaalsContact OD1-CB 3.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.26Å; D236-A238 PolarHBondContact OD1-N 2.8Å; D236-R244 VanDerWaalsContact OD1-CA 3.25Å; D236-R244 WeakPolarHBondContact OD1-CA 3.47Å; D236-R244 WeakPolarHBondContact OD1-CB 3.37Å; D236-R244 WeakPolarHBondContact OD1-CG 3.17Å; D236-R245 PolarHBondContact N-O 3.31Å; D236-R245 VanDerWaalsContact N-O 3.11Å; D236-R245 WeakPolarHBondContact OD2-CA 3.09Å; D236-R245 VanDerWaalsContact OD2-CB 3.25Å; D236-R245 WeakPolarHBondContact OD2-CB 3.28Å; D236-R245 PolarHBondContact OD2-N 2.75Å
237R88.3Confident88.4Confident94 Ų9463.5 Ų63.536%0.35530%0.297SS..  trans-109.838.1176.4-63.9177.173.1-161.25.2112P183 Q186 E188 Q239P183-R237 WeakPolarHBondContact CB-O 3.25Å; P183-R237 CarbonylContact O-C 3.6Å; P183-R237 VanDerWaalsContact O-C 3.23Å; P183-R237 VanDerWaalsContact O-CA 3.3Å; P183-R237 WeakPolarHBondContact O-CA 3.34Å; P183-R237 VanDerWaalsContact O-CB 3.28Å; P183-R237 WeakPolarHBondContact O-CB 3.34Å; P183-R237 PolarHBondContact O-N 2.78Å; P183-R237 VanDerWaalsContact O-N 3.14Å; Q186-R237 HydrophobicContact CB-CB 4.35Å; Q186-R237 HydrophobicContact CB-CG 4.37Å; Q186-R237 WeakPolarHBondContact O-CG 3.01Å; Q186-R237 PolarHBondContact O-N 2.91Å; E188-R237 HydrophobicContact CB-CG 4.49Å; E188-R237 HydrophobicContact CG-CG 4.3Å; R237-Q239 PolarHBondContact O-N 3.03Å
238A85.5Confident88.4Confident1 Ų162.1 Ų62.11%0.00830%0.3CS..  trans-49.5138.5170.900000110.7N141 D236 N240 E243 R244N141-A238 HydrophobicContact CB-CB 4.32Å; D236-A238 VanDerWaalsContact OD1-CB 3.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.26Å; D236-A238 PolarHBondContact OD1-N 2.8Å; A238-N240 VanDerWaalsContact C-N 3.3Å; A238-N240 PolarHBondContact O-N 2.92Å; A238-E243 HydrophobicContact CB-CB 4.49Å; A238-R244 HydrophobicContact CB-CG 3.91Å; A238-R244 PolarHBondContact O-NE 2.81Å
239Q81.4Confident88.3Confident177 Ų17761.5 Ų61.583%0.82730%0.299SS*.SBendtrans-62.2-38.5-172.3-72.7-172.9-14.500112.3R237R237-Q239 PolarHBondContact O-N 3.03Å
240N81.7Confident88.2Confident92 Ų9259.5 Ų59.549%0.49230%0.296SS..SBendtrans-89.1121.2173-68.5-41.7000109.4A238 N242 E243 R244A238-N240 VanDerWaalsContact C-N 3.3Å; A238-N240 PolarHBondContact O-N 2.92Å; N240-N242 PolarHBondContact O-N 3.03Å; N240-E243 HydrophobicContact CB-CB 4.24Å; N240-E243 HydrophobicContact CB-CG 4.11Å; N240-E243 WeakPolarHBondContact CB-OE2 3.47Å; N240-E243 PolarHBondContact ND2-OE2 2.77Å; N240-E243 PolarHBondContact O-N 3.22Å; N240-R244 PolarHBondContact O-N 3.07Å
241L79Confident88.2Confident128 Ų12859.5 Ų59.567%0.6730%0.296SS*.THydrogen-bonded Turntrans-53.5-30177.3-75.2162.8000113.4E243L241-E243 VanDerWaalsContact C-N 3.31Å
242N80.6Confident88.3Confident160 Ų16059.2 Ų59.286%0.85630%0.296SS*.THydrogen-bonded Turntrans-77.5-20.3-177-43.1-11.8000112.8N240N240-N242 PolarHBondContact O-N 3.03Å
243E82.8Confident88.3Confident112 Ų11259.2 Ų59.252%0.52330%0.296SS..THydrogen-bonded Turntrans-96-7.8180-67.7173.9165.100111.3N141 A238 N240 L241 R245N141-E243 PolarHBondContact ND2-O 2.74Å; A238-E243 HydrophobicContact CB-CB 4.49Å; N240-E243 HydrophobicContact CB-CB 4.24Å; N240-E243 HydrophobicContact CB-CG 4.11Å; N240-E243 WeakPolarHBondContact CB-OE2 3.47Å; N240-E243 PolarHBondContact ND2-OE2 2.77Å; N240-E243 PolarHBondContact O-N 3.22Å; L241-E243 VanDerWaalsContact C-N 3.31Å; E243-R245 PolarHBondContact O-N 3.25Å
244R86.5Confident88.3Confident71 Ų7158.3 Ų58.327%0.26829%0.292SS..  trans-63.1128.5176.8-70.2-170.2176.6-161.7-9110.8E188 D236 A238 N240E188-R244 IonicContact OE1-CZ 2.75Å; E188-R244 IonicContact OE1-NH1 2.66Å; E188-R244 PolarHBondContact OE1-NH1 3.08Å; E188-R244 IonicContact OE2-CZ 2.71Å; E188-R244 IonicContact OE2-NH1 3.62Å; E188-R244 PolarHBondContact OE2-NH1 2.91Å; E188-R244 IonicContact OE2-NH2 3.06Å; D236-R244 VanDerWaalsContact OD1-CA 3.25Å; D236-R244 WeakPolarHBondContact OD1-CA 3.47Å; D236-R244 WeakPolarHBondContact OD1-CB 3.37Å; D236-R244 WeakPolarHBondContact OD1-CG 3.17Å; A238-R244 HydrophobicContact CB-CG 3.91Å; A238-R244 PolarHBondContact O-NE 2.81Å; N240-R244 PolarHBondContact O-N 3.07Å
245R89.8Confident88.4Confident93 Ų9358.6 Ų58.635%0.35129%0.294SS..  trans-102.5148.7173.7-64.5167.6169.8-122.17.1108.9N141 D142 N143 D236 E243N141-R245 PolarHBondContact O-NE 2.87Å; D142-R245 VanDerWaalsContact C-CZ 3.45Å; D142-R245 PolarHBondContact O-NH1 3.04Å; D142-R245 PolarHBondContact O-NH2 2.91Å; N143-R245 WeakPolarHBondContact O-CD 3.4Å; D236-R245 PolarHBondContact N-O 3.31Å; D236-R245 VanDerWaalsContact N-O 3.11Å; D236-R245 WeakPolarHBondContact OD2-CA 3.09Å; D236-R245 VanDerWaalsContact OD2-CB 3.25Å; D236-R245 WeakPolarHBondContact OD2-CB 3.28Å; D236-R245 PolarHBondContact OD2-N 2.75Å; E243-R245 PolarHBondContact O-N 3.25Å
246T90.6Very high88.3Confident66 Ų6661.8 Ų61.841%0.40531%0.311SS..EExtended strand (participates in β ladder)trans-141.8143.2-169.8680000109.5A234 N235A234-T246 CarbonylContact O-C 3.49Å; A234-T246 VanDerWaalsContact O-CA 3.24Å; A234-T246 WeakPolarHBondContact O-CA 3.37Å; N235-T246 HydrophobicContact CB-CG2 3.99Å; N235-T246 WeakPolarHBondContact OD1-CB 3.41Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.36Å
247T91.7Very high88.3Confident36 Ų3662.2 Ų62.222%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-132.3157.2168.255.10000110.4P145 Q233 A234P145-T247 VanDerWaalsContact O-CB 3.24Å; P145-T247 WeakPolarHBondContact O-CB 3.45Å; P145-T247 WeakPolarHBondContact O-CG2 3.42Å; P145-T247 PolarHBondContact O-OG1 2.98Å; Q233-T247 CarbonylContact C-O 3.57Å; Q233-T247 WeakPolarHBondContact CA-O 3.38Å; A234-T247 PolarHBondContact N-O 2.81Å; A234-T247 PolarHBondContact O-N 2.92Å
248T92.2Very high88.2Confident79 Ų7958 Ų5849%0.48530%0.298SS..EExtended strand (participates in β ladder)trans-126143.4-174.356.30000110.2Q192 I231 I232 Q233Q192-T248 VanDerWaalsContact OE1-CG2 3.28Å; I231-T248 HydrophobicContact CG2-CG2 4.21Å; I232-T248 CarbonylContact O-C 3.57Å; I232-T248 VanDerWaalsContact O-CA 3.27Å; I232-T248 WeakPolarHBondContact O-CA 3.14Å; Q233-T248 HydrophobicContact CB-CG2 4.07Å; Q233-T248 HydrophobicContact CG-CG2 4.02Å
249T91.3Very high88.3Confident5 Ų559.7 Ų59.73%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-131.7159.2167.6-172.90000109.2F147 E150 Y152 F170 I232F147-T249 HydrophobicContact CD1-CG2 3.7Å; F147-T249 HydrophobicContact CD2-CG2 3.81Å; F147-T249 HydrophobicContact CE1-CG2 3.54Å; F147-T249 HydrophobicContact CE2-CG2 3.67Å; F147-T249 HydrophobicContact CG-CG2 3.82Å; F147-T249 HydrophobicContact CZ-CG2 3.53Å; E150-T249 PolarHBondContact O-OG1 2.76Å; Y152-T249 HydrophobicContact CD2-CG2 3.79Å; Y152-T249 HydrophobicContact CE2-CG2 3.88Å; F170-T249 HydrophobicContact CE1-CG2 4.44Å; I232-T249 HydrophobicContact CB-CG2 4.07Å; I232-T249 PolarHBondContact N-O 3.34Å; I232-T249 PolarHBondContact O-N 2.86Å
250T91Very high88.5Confident53 Ų5353.5 Ų53.533%0.32528%0.28SS..EExtended strand (participates in β ladder)trans-102.4121.2176.9-51.90000109.4S151 Y152 Y229S151-T250 WeakPolarHBondContact CA-O 3.43Å; S151-T250 WeakPolarHBondContact CB-O 3.36Å; Y152-T250 PolarHBondContact N-O 3.32Å; Y229-T250 HydrophobicContact CD1-CG2 4.29Å
251L92.3Very high88.7Confident0 Ų051.6 Ų51.60%027%0.27CS..EExtended strand (participates in β ladder)trans-91.3112.3166.2174.165.2000108.4Y152 A154 F167 V214 V230 I232 V253Y152-L251 WeakPolarHBondContact O-CA 3.37Å; A154-L251 HydrophobicContact CB-CD1 4.23Å; F167-L251 HydrophobicContact CB-CD2 4.23Å; F167-L251 HydrophobicContact CD1-CD1 4.44Å; F167-L251 HydrophobicContact CD1-CD2 4.17Å; F167-L251 HydrophobicContact CD2-CD1 4.04Å; F167-L251 HydrophobicContact CE2-CD1 4.11Å; F167-L251 HydrophobicContact CG-CD1 4.19Å; F167-L251 HydrophobicContact CG-CD2 4.15Å; F167-L251 HydrophobicContact CZ-CD1 4.35Å; V214-L251 HydrophobicContact CB-CD2 4.41Å; V214-L251 HydrophobicContact CG1-CD2 4.45Å; V214-L251 HydrophobicContact CG2-CD2 3.87Å; V230-L251 HydrophobicContact CB-CB 4.29Å; V230-L251 PolarHBondContact N-O 3.46Å; V230-L251 PolarHBondContact O-N 3.06Å; I232-L251 HydrophobicContact CG1-CB 3.94Å; L251-V253 HydrophobicContact CD2-CG2 4.12Å; L251-V253 HydrophobicContact CG-CG2 3.89Å
252T92.9Very high89Confident25 Ų2545.7 Ų45.715%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-89.1121.2173.8-53.20000108.6Y152 Y153 A154 R227 Y228 Y229Y152-T252 PolarHBondContact O-N 2.94Å; Y153-T252 WeakPolarHBondContact CA-O 3.37Å; Y153-T252 HydrophobicContact CD2-CG2 4.32Å; Y153-T252 HydrophobicContact CE2-CG2 4.46Å; A154-T252 PolarHBondContact N-O 2.94Å; R227-T252 HydrophobicContact CG-CG2 4.02Å; Y228-T252 WeakPolarHBondContact O-CA 3.28Å; Y229-T252 HydrophobicContact CD1-CG2 4.22Å; Y229-T252 HydrophobicContact CE1-CG2 3.96Å
253V92.5Very high89.5Confident0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-113.2112.1179.4-175.30000109A154 V156 I166 F204 R227 Y228 V230 L251A154-V253 VanDerWaalsContact O-CA 3.32Å; A154-V253 WeakPolarHBondContact O-CA 3.09Å; V156-V253 HydrophobicContact CB-CG1 4.46Å; V156-V253 HydrophobicContact CG1-CG1 3.52Å; I166-V253 HydrophobicContact CD1-CG1 4.1Å; I166-V253 HydrophobicContact CD1-CG2 4.08Å; F204-V253 HydrophobicContact CE1-CG1 4.22Å; F204-V253 HydrophobicContact CZ-CB 4.13Å; F204-V253 HydrophobicContact CZ-CG1 3.92Å; F204-V253 HydrophobicContact CZ-CG2 4.34Å; R227-V253 WeakPolarHBondContact CA-O 3.23Å; Y228-V253 PolarHBondContact N-O 3.17Å; Y228-V253 PolarHBondContact O-N 3.29Å; V230-V253 HydrophobicContact CG2-CG2 4.26Å; L251-V253 HydrophobicContact CD2-CG2 4.12Å; L251-V253 HydrophobicContact CG-CG2 3.89Å
254D91.9Very high89.7Confident20 Ų2034.8 Ų34.811%0.10718%0.184CC..EExtended strand (participates in β ladder)trans-92.4129.6175.5-76.50000109.9Y153 A154 T155 V156 R227Y153-D254 HydrophobicContact CE2-CB 4.22Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.26Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.42Å; Y153-D254 WeakPolarHBondContact OH-CB 3.45Å; Y153-D254 VanDerWaalsContact OH-CG 3.28Å; Y153-D254 PolarHBondContact OH-OD2 2.81Å; A154-D254 PolarHBondContact O-N 3.25Å; T155-D254 CarbonylContact C-O 3.55Å; T155-D254 VanDerWaalsContact CA-O 3.28Å; T155-D254 WeakPolarHBondContact CA-O 3.42Å; T155-D254 HydrophobicContact CG2-CB 4.08Å; V156-D254 PolarHBondContact N-O 2.9Å; R227-D254 WeakPolarHBondContact CG-OD1 3.43Å; R227-D254 IonicContact CZ-OD1 2.82Å; R227-D254 IonicContact CZ-OD2 3.19Å; R227-D254 IonicContact NE-OD1 2.99Å; R227-D254 PolarHBondContact NE-OD1 3.49Å; R227-D254 IonicContact NE-OD2 2.76Å; R227-D254 IonicContact NH2-OD1 3.89Å; R227-D254 PolarHBondContact NH2-OD1 3.35Å; R227-D254 IonicContact NH2-OD2 3.87Å; R227-D254 PolarHBondContact NH2-OD2 3.38Å
255V91.9Very high89.9Confident6 Ų632 Ų324%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-86.3129.6176.5-1720000108.1V156 E158 L220 Y222 T226 Y228V156-V255 CarbonylContact O-C 3.5Å; V156-V255 VanDerWaalsContact O-CA 3.28Å; V156-V255 WeakPolarHBondContact O-CA 3.45Å; E158-V255 HydrophobicContact CB-CG1 3.81Å; L220-V255 HydrophobicContact CB-CG1 4.26Å; L220-V255 HydrophobicContact CD1-CG1 4.3Å; L220-V255 HydrophobicContact CD1-CG2 4.24Å; L220-V255 HydrophobicContact CD2-CG2 4.47Å; Y222-V255 HydrophobicContact CD2-CB 4.13Å; Y222-V255 HydrophobicContact CD2-CG1 4.12Å; Y222-V255 VanDerWaalsContact CD2-O 3.29Å; Y222-V255 WeakPolarHBondContact CD2-O 3.16Å; Y222-V255 WeakPolarHBondContact CE2-O 3.27Å; T226-V255 PolarHBondContact O-N 2.9Å; Y228-V255 HydrophobicContact CD2-CG2 3.95Å; Y228-V255 HydrophobicContact CE2-CG2 3.71Å
256L89.9Confident89.7Confident80 Ų8029.8 Ų29.842%0.41917%0.169SC..EExtended strand (participates in β ladder)trans-92.4128.5170.3-56.6175.4000108.5V156 N157 E158V156-L256 PolarHBondContact O-N 3.45Å; N157-L256 WeakPolarHBondContact CA-O 3.5Å; N157-L256 HydrophobicContact CB-CB 4.41Å; E158-L256 PolarHBondContact N-O 2.92Å
257D90.5Very high89.5Confident9 Ų929.8 Ų29.85%0.04817%0.171CC..PPolyproline II helixtrans-62.7130.8174.6-163.8-28.1000109.9E158 Y222 R311 N312E158-D257 VanDerWaalsContact OE1-CA 3.3Å; E158-D257 WeakPolarHBondContact OE1-CA 3.24Å; Y222-D257 HydrophobicContact CD1-CB 3.59Å; Y222-D257 WeakPolarHBondContact CD1-OD2 3.33Å; Y222-D257 HydrophobicContact CD2-CB 3.84Å; Y222-D257 HydrophobicContact CE1-CB 3.74Å; Y222-D257 WeakPolarHBondContact CE1-OD2 3.41Å; Y222-D257 HydrophobicContact CE2-CB 3.98Å; Y222-D257 HydrophobicContact CG-CB 3.65Å; D257-R311 PolarHBondContact OD2-N 3.31Å; D257-R311 VanDerWaalsContact OD2-N 3.09Å; D257-N312 WeakPolarHBondContact CB-O 3.12Å; D257-N312 WeakPolarHBondContact OD2-CA 3.37Å; D257-N312 PolarHBondContact OD2-N 2.91Å
258G86.4Confident88.9Confident4 Ų429.8 Ų29.84%0.04117%0.171CC..  trans-131.4144178.300000111E158 D260E158-G258 PolarHBondContact OE1-N 3.39Å; G258-D260 PolarHBondContact O-N 2.98Å
259D87.6Confident88Confident37 Ų3728.5 Ų28.520%0.19816%0.163CC..SBendtrans-60.892.4-177.1-179.352.6000112.9D310 I313 Q369 N371 H373D259-D310 WeakPolarHBondContact CA-OD2 3.16Å; D259-I313 HydrophobicContact CB-CD1 3.94Å; D259-Q369 PolarHBondContact OD1-NE2 3.05Å; D259-N371 PolarHBondContact OD2-ND2 2.73Å; D259-H373 IonicContact OD1-CD2 3.28Å; D259-H373 IonicContact OD2-CD2 2.75Å; D259-H373 PolarHBondContact OD2-CD2 2.8Å; D259-H373 IonicContact OD2-CG 2.63Å
260D84.6Confident87Confident48 Ų4833.5 Ų33.526%0.25719%0.19SC..  trans-126.6-6.3172.380.9-11.2000114.8L159 G258L159-D260 HydrophobicContact CD2-CB 3.81Å; G258-D260 PolarHBondContact O-N 2.98Å
261L87.3Confident85.7Confident52 Ų5233.7 Ų33.727%0.27219%0.19SC..SBendtrans-102.8157.2173.2-53.6178.9000111.9E223 Q309 D310 Q369 H373E223-L261 HydrophobicContact CG-CD1 3.91Å; L261-Q309 HydrophobicContact CB-CB 3.64Å; L261-Q309 HydrophobicContact CD1-CB 3.89Å; L261-Q309 HydrophobicContact CG-CB 4.41Å; L261-D310 VanDerWaalsContact CB-OD1 3.23Å; L261-D310 WeakPolarHBondContact CB-OD1 3.35Å; L261-D310 VanDerWaalsContact CG-OD1 3.25Å; L261-D310 WeakPolarHBondContact CG-OD1 3.26Å; L261-D310 PolarHBondContact N-OD1 2.94Å; L261-Q369 PolarHBondContact O-NE2 2.91Å; L261-Q369 PolarHBondContact O-OE1 2.59Å; L261-H373 VanDerWaalsContact C-CE1 3.47Å; L261-H373 PolarHBondContact O-CE1 2.81Å; L261-H373 PolarHBondContact O-ND1 3.21Å
262G85.2Confident84.6Confident4 Ų438.9 Ų38.94%0.04122%0.224CC..  trans-92.6176.8-18000000112.5Q309G262-Q309 WeakPolarHBondContact O-CB 3.48Å; G262-Q309 WeakPolarHBondContact O-CG 3.42Å; G262-Q309 PolarHBondContact O-N 2.95Å; G262-Q309 PolarHBondContact O-OE1 3.48Å; G262-Q309 VanDerWaalsContact O-OE1 3.1Å
263P90.2Very high83Confident6 Ų646 Ų464%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-71.1155.7168.731.8-30.4000110.9I307 I322 A367 Q369 L375 A377P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.43Å; P263-I322 HydrophobicContact CB-CD1 4.04Å; P263-I322 HydrophobicContact CB-CG1 4.23Å; P263-I322 HydrophobicContact CB-CG2 4.4Å; P263-A367 HydrophobicContact CB-CB 4.44Å; P263-A367 HydrophobicContact CG-CB 4.24Å; P263-A367 WeakPolarHBondContact CG-O 3.32Å; P263-Q369 HydrophobicContact CG-CG 4.45Å; P263-L375 WeakPolarHBondContact CD-O 3.3Å; P263-A377 HydrophobicContact CG-CB 4.48Å; P263-A377 VanDerWaalsContact O-CB 3.26Å; P263-A377 WeakPolarHBondContact O-CB 3.43Å
264M87.4Confident81.6Confident36 Ų3649.2 Ų49.218%0.17728%0.281CS..EExtended strand (participates in β ladder)trans-134.4127.1-179.4176-174.972.700110.6L266 C268 C277 A306 I307 Q309M264-L266 HydrophobicContact CE-CD2 4.07Å; M264-C268 HydrophobicContact CE-CB 4.05Å; M264-C268 HydrophobicContact CG-CB 4.27Å; M264-C268 HydrophobicContact SD-CB 3.8Å; M264-C277 VanDerWaalsContact CG-SG 3.57Å; M264-C277 PolarHBondContact SD-SG 2.98Å; M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.19Å; M264-A306 WeakPolarHBondContact O-CB 3.16Å; M264-I307 HydrophobicContact CE-CD1 4.15Å; M264-I307 HydrophobicContact CE-CG1 4.16Å; M264-I307 PolarHBondContact N-O 2.86Å; M264-I307 PolarHBondContact O-N 2.91Å; M264-Q309 HydrophobicContact CB-CG 3.58Å; M264-Q309 HydrophobicContact SD-CG 4.29Å
265F90.3Very high80.3Confident13 Ų1356.2 Ų56.26%0.05731%0.306CS..EExtended strand (participates in β ladder)trans-69.8143.1176.3-78.2-71.9000112.6L280 Y282 I304 Q305 A306 Y324 I365 A367 A377 A379F265-L280 HydrophobicContact CB-CD1 3.92Å; F265-Y282 HydrophobicContact CD1-CE2 4.15Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.4Å; F265-Y282 HydrophobicContact CG-CE2 4.49Å; F265-I304 HydrophobicContact CD1-CG2 4.42Å; F265-I304 HydrophobicContact CE1-CG2 3.97Å; F265-Q305 CarbonylContact C-O 3.56Å; F265-Q305 WeakPolarHBondContact CA-O 3.41Å; F265-A306 HydrophobicContact CD1-CB 3.95Å; F265-A306 HydrophobicContact CE1-CB 4.24Å; F265-A306 HydrophobicContact CG-CB 4.39Å; F265-Y324 HydrophobicContact CE1-CD1 4.08Å; F265-Y324 AromaticContact CE1-CE1 3.97Å; F265-Y324 HydrophobicContact CE1-CE1 3.97Å; F265-I365 HydrophobicContact CE1-CD1 3.93Å; F265-I365 HydrophobicContact CE1-CG1 4.45Å; F265-I365 HydrophobicContact CZ-CD1 4.04Å; F265-I365 HydrophobicContact CZ-CG1 4.05Å; F265-A367 HydrophobicContact CE1-CB 3.99Å; F265-A367 HydrophobicContact CE2-CB 3.8Å; F265-A367 HydrophobicContact CZ-CB 3.46Å; F265-A367 VanDerWaalsContact CZ-CB 3.46Å; F265-A377 HydrophobicContact CD2-CB 3.91Å; F265-A377 HydrophobicContact CE2-CB 4.01Å; F265-A379 HydrophobicContact CD2-CB 3.81Å; F265-A379 HydrophobicContact CE2-CB 3.93Å; F265-A379 HydrophobicContact CG-CB 4.19Å; F265-A379 HydrophobicContact CZ-CB 4.41Å
266L85.8Confident79.1Confident46 Ų4661.1 Ų61.124%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-109.1145.6178.3-63.5-179.8000111.1M264 Y282 Q305 I307M264-L266 HydrophobicContact CE-CD2 4.07Å; L266-Y282 PolarHBondContact O-OH 3.14Å; L266-Q305 HydrophobicContact CB-CB 4.38Å; L266-Q305 PolarHBondContact N-O 2.93Å; L266-I307 HydrophobicContact CD1-CD1 4.28Å; L266-I307 HydrophobicContact CD1-CG1 4.2Å; L266-I307 HydrophobicContact CD1-CG2 3.83Å; L266-I307 HydrophobicContact CD2-CD1 4.31Å; L266-I307 HydrophobicContact CD2-CG1 4.32Å; L266-I307 HydrophobicContact CG-CG1 4.33Å
267P85.8Confident78.3Confident67 Ų6758.4 Ų58.444%0.43532%0.319SS..SBendcis-77.9126.9-1.830.4-33.2000112.6V269 L280 P302P267-V269 PolarHBondContact O-N 2.78Å; P267-L280 VanDerWaalsContact O-CD1 3.27Å; P267-L280 WeakPolarHBondContact O-CD1 3.47Å; P267-L280 VanDerWaalsContact O-CD2 3.26Å; P267-L280 WeakPolarHBondContact O-CD2 3.32Å; P267-P302 VanDerWaalsContact CD-CG 3.48Å; P267-P302 HydrophobicContact CG-CB 4.42Å; P267-P302 HydrophobicContact CG-CG 4.13Å
268C79.3Confident77.2Confident35 Ų3564.7 Ų64.724%0.23634%0.343CS..  trans-73.1127.9174.4168.50000111M264 C277M264-C268 HydrophobicContact CE-CB 4.05Å; M264-C268 HydrophobicContact CG-CB 4.27Å; M264-C268 HydrophobicContact SD-CB 3.8Å; C268-C277 HydrophobicContact CB-CB 3.99Å; C268-C277 WeakPolarHBondContact CB-SG 3.19Å; C268-C277 WeakPolarHBondContact SG-CB 3.47Å; C268-C277 CovalentContact SG-SG 2.02Å; C268-C277 PolarHBondContact SG-SG 3.2Å
269V73.6Confident76.4Confident52 Ų5270 Ų7032%0.31538%0.376SS..  trans-110108.6166.8-179.10000108.8P267 V271 R278P267-V269 PolarHBondContact O-N 2.78Å; V269-V271 PolarHBondContact O-N 2.89Å; V269-R278 HydrophobicContact CB-CG 3.93Å; V269-R278 VanDerWaalsContact CB-NE 3.3Å; V269-R278 HydrophobicContact CG1-CG 4.49Å; V269-R278 PolarHBondContact O-N 2.96Å
270L69.8Low75.9Confident111 Ų11169.3 Ų69.358%0.58137%0.372SS*.BIsolated β-bridgetrans-56.8129.2-179.2-80.3137.3000111.5D276L270-D276 WeakPolarHBondContact CA-O 3.03Å
271V64.9Low75.9Confident56 Ų5671 Ų7134%0.33938%0.384SS..PPolyproline II helixtrans-72.4129.4170.8177.10000108V269 N273 T274 D276 R278V269-V271 PolarHBondContact O-N 2.89Å; V271-N273 PolarHBondContact O-N 3.35Å; V271-T274 VanDerWaalsContact CB-OG1 3.31Å; V271-T274 WeakPolarHBondContact CB-OG1 3.46Å; V271-T274 HydrophobicContact CG1-CG2 4.36Å; V271-T274 PolarHBondContact O-N 3.15Å; V271-T274 PolarHBondContact O-OG1 3.04Å; V271-D276 PolarHBondContact N-O 3.02Å; V271-R278 HydrophobicContact CG2-CB 4.08Å
272P69.2Low76.1Confident109 Ų10968.5 Ų68.571%0.70837%0.371SS*.THydrogen-bonded Turntrans-51.6132.8-176-26.733000112.8T274P272-T274 VanDerWaalsContact C-N 3.25Å; P272-T274 PolarHBondContact O-N 3.17Å
273N60Low76.4Confident176 Ų17674 Ų7494%0.94140%0.396SS*.THydrogen-bonded Turntrans6517.7-177.6-50.1-43.9000115.6V271V271-N273 PolarHBondContact O-N 3.35Å
274T62.2Low76.5Confident67 Ų6774.1 Ų74.141%0.41140%0.398SS..SBendtrans-132.7163.9173.575.90000110.5V271 P272 D276V271-T274 VanDerWaalsContact CB-OG1 3.31Å; V271-T274 WeakPolarHBondContact CB-OG1 3.46Å; V271-T274 HydrophobicContact CG1-CG2 4.36Å; V271-T274 PolarHBondContact O-N 3.15Å; V271-T274 PolarHBondContact O-OG1 3.04Å; P272-T274 VanDerWaalsContact C-N 3.25Å; P272-T274 PolarHBondContact O-N 3.17Å; T274-D276 VanDerWaalsContact C-N 3.28Å; T274-D276 PolarHBondContact OG1-N 3.39Å
275R64.4Low76.7Confident166 Ų16675.2 Ų75.263%0.62641%0.412SS*.SBendtrans-90.710.5167.4-76.3-173.8177.5167.54.5112.4D224D224-R275 IonicContact OD1-CZ 3.24Å; D224-R275 VanDerWaalsContact OD1-CZ 3.31Å; D224-R275 IonicContact OD1-NH1 3.57Å; D224-R275 PolarHBondContact OD1-NH1 3.02Å; D224-R275 IonicContact OD1-NH2 3.87Å; D224-R275 PolarHBondContact OD1-NH2 2.94Å
276D66.8Low76.7Confident110 Ų11074.7 Ų74.759%0.58841%0.41SS*.PPolyproline II helixtrans-96.3153.1-174.9-159.33.3000111.6L270 V271 T274L270-D276 WeakPolarHBondContact CA-O 3.03Å; V271-D276 PolarHBondContact N-O 3.02Å; T274-D276 VanDerWaalsContact C-N 3.28Å; T274-D276 PolarHBondContact OG1-N 3.39Å
277C72.4Confident76.8Confident23 Ų2373.9 Ų73.916%0.15541%0.407CS..BIsolated β-bridgetrans-98.4139.7-178.3-55.70000110.5M264 C268M264-C277 VanDerWaalsContact CG-SG 3.57Å; M264-C277 PolarHBondContact SD-SG 2.98Å; C268-C277 HydrophobicContact CB-CB 3.99Å; C268-C277 WeakPolarHBondContact CB-SG 3.19Å; C268-C277 WeakPolarHBondContact SG-CB 3.47Å; C268-C277 CovalentContact SG-SG 2.02Å; C268-C277 PolarHBondContact SG-SG 3.2Å
278R68.9Low76.8Confident141 Ų14171.1 Ų71.153%0.53239%0.389SS..PPolyproline II helixtrans-64.2142170.474.4-170.7-177.4-174.6-3109.6V269 V271 L280V269-R278 HydrophobicContact CB-CG 3.93Å; V269-R278 VanDerWaalsContact CB-NE 3.3Å; V269-R278 HydrophobicContact CG1-CG 4.49Å; V269-R278 PolarHBondContact O-N 2.96Å; V271-R278 HydrophobicContact CG2-CB 4.08Å; R278-L280 PolarHBondContact O-N 2.74Å
279P69.1Low77.1Confident116 Ų11673.7 Ų73.775%0.75340%0.399SS*.PPolyproline II helixtrans-53.8130.8174.5-24.132.4000111
280L77.2Confident77.7Confident22 Ų2276 Ų7612%0.11540%0.403CS..PPolyproline II helixtrans-90.6143.4177.9-69.6161.4000110.3F265 P267 R278 Y282 S380F265-L280 HydrophobicContact CB-CD1 3.92Å; P267-L280 VanDerWaalsContact O-CD1 3.27Å; P267-L280 WeakPolarHBondContact O-CD1 3.47Å; P267-L280 VanDerWaalsContact O-CD2 3.26Å; P267-L280 WeakPolarHBondContact O-CD2 3.32Å; R278-L280 PolarHBondContact O-N 2.74Å; L280-Y282 HydrophobicContact CB-CE2 4.35Å; L280-S380 PolarHBondContact O-N 3.14Å; L280-S380 VanDerWaalsContact O-N 3.1Å
281T84Confident78.6Confident82 Ų8273 Ų7350%0.50339%0.389SS..EExtended strand (participates in β ladder)trans-114.5110.4168.5-48.10000107.8S380 H382T281-S380 CarbonylContact C-O 3.51Å; T281-S380 VanDerWaalsContact CA-O 3.31Å; T281-S380 WeakPolarHBondContact CA-O 3.37Å; T281-H382 HydrophobicContact CG2-CB 4.46Å
282Y91.8Very high79.6Confident0 Ų071.9 Ų71.90%038%0.383CS..EExtended strand (participates in β ladder)trans-78.3144.8171-66-74.5000109.6F265 L266 L280 V300 P302 I304 I365 A379 S380 L381 H382F265-Y282 HydrophobicContact CD1-CE2 4.15Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.4Å; F265-Y282 HydrophobicContact CG-CE2 4.49Å; L266-Y282 PolarHBondContact O-OH 3.14Å; L280-Y282 HydrophobicContact CB-CE2 4.35Å; Y282-V300 HydrophobicContact CD1-CG1 4.16Å; Y282-V300 HydrophobicContact CG-CG1 4.28Å; Y282-P302 HydrophobicContact CD1-CG 3.96Å; Y282-P302 WeakPolarHBondContact CD1-O 3.49Å; Y282-P302 HydrophobicContact CE1-CG 3.82Å; Y282-P302 WeakPolarHBondContact CE1-O 3.35Å; Y282-I304 HydrophobicContact CD1-CG1 3.91Å; Y282-I304 HydrophobicContact CD2-CG1 4.29Å; Y282-I304 HydrophobicContact CE1-CB 4.46Å; Y282-I304 HydrophobicContact CE1-CG1 4.08Å; Y282-I304 HydrophobicContact CE2-CG1 4.45Å; Y282-I304 HydrophobicContact CG-CG1 4.01Å; Y282-I365 HydrophobicContact CD2-CD1 3.68Å; Y282-I365 HydrophobicContact CE2-CD1 3.76Å; Y282-A379 HydrophobicContact CD2-CB 3.9Å; Y282-A379 HydrophobicContact CE2-CB 3.59Å; Y282-S380 PolarHBondContact N-O 2.98Å; Y282-L381 CarbonylContact O-C 3.57Å; Y282-L381 WeakPolarHBondContact O-CA 3.13Å; Y282-H382 PolarHBondContact O-N 3.32Å
283Q91.7Very high80.5Confident121 Ų12175.3 Ų75.357%0.56539%0.389SS*.EExtended strand (participates in β ladder)trans-129.4140-179.1-66-176.7-28.900111T301 H382Q283-T301 PolarHBondContact N-O 2.55Å; Q283-T301 PolarHBondContact O-N 2.88Å; Q283-H382 CarbonylContact C-O 3.56Å; Q283-H382 VanDerWaalsContact CA-O 3.29Å; Q283-H382 WeakPolarHBondContact CA-O 3.49Å; Q283-H382 HydrophobicContact CG-CB 4.43Å
284A92.9Very high81.5Confident8 Ų872.8 Ų72.87%0.06637%0.372CS..EExtended strand (participates in β ladder)trans-137.5147.1170.600000109.4I298 V300 H382 I383 E384A284-I298 HydrophobicContact CB-CG2 3.89Å; A284-V300 HydrophobicContact CB-CG2 4.32Å; A284-H382 PolarHBondContact N-O 3.37Å; A284-I383 HydrophobicContact CB-CG1 4.39Å; A284-I383 HydrophobicContact CB-CG2 4.37Å; A284-I383 CarbonylContact O-C 3.53Å; A284-I383 VanDerWaalsContact O-CA 3.31Å; A284-I383 WeakPolarHBondContact O-CA 3.15Å; A284-E384 PolarHBondContact O-N 2.84Å
285A90.7Very high82.6Confident58 Ų5871.3 Ų71.348%0.47936%0.361SS..EExtended strand (participates in β ladder)trans-127.2129.4175.700000108.8E384 L386A285-E384 WeakPolarHBondContact CA-O 3.49Å; A285-L386 HydrophobicContact CB-CD1 4.03Å; A285-L386 HydrophobicContact CB-CD2 4.2Å; A285-L386 HydrophobicContact CB-CG 4.11Å
286I89.5Confident83.8Confident2 Ų266.2 Ų66.21%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-129.1123.4-173.1-59.4176.2000108.6L295 I298 F338 I383 E384 I385 L386I286-L295 HydrophobicContact CB-CD2 4.23Å; I286-L295 HydrophobicContact CD1-CD2 3.93Å; I286-L295 HydrophobicContact CG1-CD2 3.95Å; I286-L295 HydrophobicContact CG2-CD1 4.02Å; I286-L295 HydrophobicContact CG2-CD2 3.36Å; I286-L295 HydrophobicContact CG2-CG 4.35Å; I286-I298 HydrophobicContact CD1-CD1 3.68Å; I286-I298 HydrophobicContact CD1-CG1 3.99Å; I286-I298 HydrophobicContact CD1-CG2 3.96Å; I286-I298 HydrophobicContact CG1-CG2 4.18Å; I286-F338 HydrophobicContact CD1-CE1 3.58Å; I286-F338 HydrophobicContact CD1-CZ 4.06Å; I286-I383 HydrophobicContact CD1-CG2 3.62Å; I286-I383 HydrophobicContact CG1-CG2 4.07Å; I286-E384 PolarHBondContact N-O 3.19Å; I286-I385 HydrophobicContact CB-CD1 4.11Å; I286-I385 CarbonylContact O-C 3.58Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.38Å; I286-L386 PolarHBondContact O-N 2.78Å
287P88.3Confident84.9Confident30 Ų3064.5 Ų64.520%0.19534%0.341CS..EExtended strand (participates in β ladder)trans-64.3140.8171.7-14.527.8000111.2R290 E388P287-R290 HydrophobicContact CB-CG 3.83Å; P287-R290 HydrophobicContact CG-CG 4.24Å; P287-R290 WeakPolarHBondContact O-CG 3.5Å; P287-E388 HydrophobicContact CB-CG 4.37Å
288E86.3Confident85.7Confident8 Ų864 Ų644%0.03734%0.337CS..THydrogen-bonded Turntrans-64.3157-179.572.1170.6153.800113.4R290 V353 R355 I385 L386 E388 N390E288-R290 PolarHBondContact O-N 2.87Å; E288-V353 WeakPolarHBondContact CA-O 3.31Å; E288-R355 HydrophobicContact CB-CB 4.04Å; E288-R355 HydrophobicContact CG-CB 4.46Å; E288-R355 WeakPolarHBondContact OE2-CB 3.43Å; E288-R355 PolarHBondContact OE2-N 2.89Å; E288-I385 HydrophobicContact CB-CG2 3.83Å; E288-L386 PolarHBondContact N-O 2.98Å; E288-L386 VanDerWaalsContact N-O 3.11Å; E288-E388 HydrophobicContact CG-CB 4.02Å; E288-E388 HydrophobicContact CG-CG 4.04Å; E288-E388 PolarHBondContact OE1-N 3.23Å; E288-N390 PolarHBondContact OE1-ND2 2.76Å
289L85.5Confident86.8Confident89 Ų8964.5 Ų64.547%0.46635%0.349SS..THydrogen-bonded Turntrans588.3176.1-57.7175.8000115.9V353 N354L289-V353 PolarHBondContact N-O 2.86Å; L289-N354 HydrophobicContact CD2-CB 3.87Å
290R86.2Confident87.8Confident101 Ų10160 Ų6038%0.38132%0.319SS..  trans-63.8140.3173.3-71.5-73.7174.3-157.6-7.8111.9P287 E288 E294 L295 P352P287-R290 HydrophobicContact CB-CG 3.83Å; P287-R290 HydrophobicContact CG-CG 4.24Å; P287-R290 WeakPolarHBondContact O-CG 3.5Å; E288-R290 PolarHBondContact O-N 2.87Å; R290-E294 WeakPolarHBondContact CD-OE2 3.35Å; R290-E294 IonicContact CZ-OE2 3.79Å; R290-E294 IonicContact NH1-OE2 3.88Å; R290-E294 PolarHBondContact NH1-OE2 2.9Å; R290-L295 HydrophobicContact CB-CD1 4.42Å; R290-P352 WeakPolarHBondContact O-CB 3.39Å
291T88.2Confident88.3Confident48 Ų4863.8 Ų63.829%0.29434%0.344SS..  trans-76.2148.4177.962.50000110.8E293 E294 L295T291-E293 PolarHBondContact O-N 3.06Å; T291-E293 VanDerWaalsContact O-N 3.12Å; T291-E294 PolarHBondContact O-N 2.82Å; T291-E294 VanDerWaalsContact O-N 3.16Å; T291-E294 WeakPolarHBondContact OG1-CG 3.33Å; T291-E294 PolarHBondContact OG1-OE1 2.94Å; T291-L295 PolarHBondContact O-N 2.95Å
292P87.2Confident88.4Confident32 Ų3261.8 Ų61.821%0.20833%0.333CS..Hα-helixtrans-55.2-27.1174.3-29.437000114.3N296 L349 L350P292-N296 WeakPolarHBondContact O-CB 3.26Å; P292-N296 PolarHBondContact O-N 3.1Å; P292-N296 PolarHBondContact O-ND2 2.82Å; P292-L349 WeakPolarHBondContact CB-O 2.92Å; P292-L350 WeakPolarHBondContact CG-O 3.44Å
293E86.4Confident88.3Confident181 Ų18165.7 Ų65.785%0.84636%0.358SS*.Hα-helixtrans-72.3-32.7-178.7-67.6156.4-169.800112.2T291T291-E293 PolarHBondContact O-N 3.06Å; T291-E293 VanDerWaalsContact O-N 3.12Å
294E82.4Confident88.3Confident123 Ų12360.5 Ų60.558%0.57533%0.334SS*.Hα-helixtrans-82.5-35179.2-72.3171.3-154.900112.7R290 T291R290-E294 WeakPolarHBondContact CD-OE2 3.35Å; R290-E294 IonicContact CZ-OE2 3.79Å; R290-E294 IonicContact NH1-OE2 3.88Å; R290-E294 PolarHBondContact NH1-OE2 2.9Å; T291-E294 PolarHBondContact O-N 2.82Å; T291-E294 VanDerWaalsContact O-N 3.16Å; T291-E294 WeakPolarHBondContact OG1-CG 3.33Å; T291-E294 PolarHBondContact OG1-OE1 2.94Å
295L85.7Confident88.2Confident36 Ų3665.2 Ų65.219%0.18835%0.354CS..Hα-helixtrans-96.4-25.6-167.6-159.788.1000114I286 R290 T291 P297 I298 L349I286-L295 HydrophobicContact CB-CD2 4.23Å; I286-L295 HydrophobicContact CD1-CD2 3.93Å; I286-L295 HydrophobicContact CG1-CD2 3.95Å; I286-L295 HydrophobicContact CG2-CD1 4.02Å; I286-L295 HydrophobicContact CG2-CD2 3.36Å; I286-L295 HydrophobicContact CG2-CG 4.35Å; R290-L295 HydrophobicContact CB-CD1 4.42Å; T291-L295 PolarHBondContact O-N 2.95Å; L295-P297 CarbonylContact O-C 3.23Å; L295-P297 VanDerWaalsContact O-O 3.06Å; L295-I298 HydrophobicContact CD2-CD1 4.38Å; L295-I298 HydrophobicContact CD2-CG1 3.71Å; L295-I298 HydrophobicContact CG-CG1 4.4Å; L295-L349 HydrophobicContact CD2-CB 4.21Å; L295-L349 HydrophobicContact CD2-CD2 3.87Å
296N89.6Confident88.1Confident60 Ų6062.9 Ų62.932%0.32134%0.335SS..PPolyproline II helixtrans-77.9134.5-171.5-77.1-30.6000112.9P292 T348 L349P292-N296 WeakPolarHBondContact O-CB 3.26Å; P292-N296 PolarHBondContact O-N 3.1Å; P292-N296 PolarHBondContact O-ND2 2.82Å; N296-T348 WeakPolarHBondContact OD1-CA 3.41Å; N296-T348 WeakPolarHBondContact OD1-CB 3.41Å; N296-L349 PolarHBondContact ND2-O 3.37Å; N296-L349 PolarHBondContact OD1-N 2.92Å
297P88.9Confident88.1Confident73 Ų7366.4 Ų66.447%0.47435%0.353SS..SBendcis-81148.1-3.132.4-33.9000113.1L295 L299L295-P297 CarbonylContact O-C 3.23Å; L295-P297 VanDerWaalsContact O-O 3.06Å; P297-L299 PolarHBondContact O-N 3.03Å
298I90.1Very high88Confident12 Ų1265.3 Ų65.36%0.06235%0.346CS..BIsolated β-bridgetrans-66125.3178.1-63.7160.5000109.6A284 I286 L295 V300 F338 L347 L349A284-I298 HydrophobicContact CB-CG2 3.89Å; I286-I298 HydrophobicContact CD1-CD1 3.68Å; I286-I298 HydrophobicContact CD1-CG1 3.99Å; I286-I298 HydrophobicContact CD1-CG2 3.96Å; I286-I298 HydrophobicContact CG1-CG2 4.18Å; L295-I298 HydrophobicContact CD2-CD1 4.38Å; L295-I298 HydrophobicContact CD2-CG1 3.71Å; L295-I298 HydrophobicContact CG-CG1 4.4Å; I298-V300 PolarHBondContact O-N 3Å; I298-F338 HydrophobicContact CD1-CD1 3.66Å; I298-F338 HydrophobicContact CD1-CE1 3.67Å; I298-L347 HydrophobicContact CB-CB 4.27Å; I298-L347 HydrophobicContact CB-CD2 4.1Å; I298-L347 HydrophobicContact CB-CG 4.33Å; I298-L347 WeakPolarHBondContact CB-O 3.3Å; I298-L347 HydrophobicContact CD1-CD2 3.9Å; I298-L347 HydrophobicContact CD1-CG 3.89Å; I298-L347 HydrophobicContact CG2-CD2 4Å; I298-L347 PolarHBondContact N-O 3.04Å; I298-L349 HydrophobicContact CD1-CB 4.05Å
299L91Very high88Confident152 Ų15268.1 Ų68.180%0.79636%0.359SS*.  trans-75.3113177.5-67.2170.1000110.8P297P297-L299 PolarHBondContact O-N 3.03Å
300V90.8Very high88.2Confident21 Ų2164 Ų6413%0.12734%0.337CS..  trans-104.2134176.7-174.90000109.9Y282 A284 I298 P302 I304 L347 L381Y282-V300 HydrophobicContact CD1-CG1 4.16Å; Y282-V300 HydrophobicContact CG-CG1 4.28Å; A284-V300 HydrophobicContact CB-CG2 4.32Å; I298-V300 PolarHBondContact O-N 3Å; V300-P302 CarbonylContact C-O 3.57Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P302 VanDerWaalsContact O-C 3.24Å; V300-I304 HydrophobicContact CB-CD1 4.44Å; V300-I304 HydrophobicContact CB-CG1 4.33Å; V300-I304 HydrophobicContact CG1-CD1 4.09Å; V300-I304 HydrophobicContact CG1-CG1 3.89Å; V300-I304 HydrophobicContact CG2-CD1 4.24Å; V300-L347 HydrophobicContact CG2-CB 4.32Å; V300-L347 HydrophobicContact CG2-CD2 4.1Å; V300-L381 HydrophobicContact CG1-CD1 3.76Å; V300-L381 HydrophobicContact CG2-CD1 4.36Å
301T86.2Confident88Confident103 Ų10366.5 Ų66.563%0.63235%0.347SS*.BIsolated β-bridgetrans-117.5126178.6-500000110.9Q283Q283-T301 PolarHBondContact N-O 2.55Å; Q283-T301 PolarHBondContact O-N 2.88Å
302P88Confident87.9Confident40 Ų4067.5 Ų67.526%0.2635%0.35SS..SBendcis-63.8167.1-15.227.1-30.6000111.9P267 Y282 V300 I304P267-P302 VanDerWaalsContact CD-CG 3.48Å; P267-P302 HydrophobicContact CG-CB 4.42Å; P267-P302 HydrophobicContact CG-CG 4.13Å; Y282-P302 HydrophobicContact CD1-CG 3.96Å; Y282-P302 WeakPolarHBondContact CD1-O 3.49Å; Y282-P302 HydrophobicContact CE1-CG 3.82Å; Y282-P302 WeakPolarHBondContact CE1-O 3.35Å; V300-P302 CarbonylContact C-O 3.57Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P302 VanDerWaalsContact O-C 3.24Å; P302-I304 PolarHBondContact O-N 3.37Å
303P89.5Confident87.8Confident81 Ų8166.8 Ų66.853%0.52634%0.344SS..  trans-60.5137.6176.224.4-33.9000111Q305P303-Q305 PolarHBondContact O-N 3.49Å
304I90.8Very high87.6Confident13 Ų1363.3 Ų63.37%0.06733%0.328CS..  trans-72.7110.8-179.4-57.3171.2000108.6F265 Y282 V300 P302 Y324 M340 A345 I365 L381F265-I304 HydrophobicContact CD1-CG2 4.42Å; F265-I304 HydrophobicContact CE1-CG2 3.97Å; Y282-I304 HydrophobicContact CD1-CG1 3.91Å; Y282-I304 HydrophobicContact CD2-CG1 4.29Å; Y282-I304 HydrophobicContact CE1-CB 4.46Å; Y282-I304 HydrophobicContact CE1-CG1 4.08Å; Y282-I304 HydrophobicContact CE2-CG1 4.45Å; Y282-I304 HydrophobicContact CG-CG1 4.01Å; V300-I304 HydrophobicContact CB-CD1 4.44Å; V300-I304 HydrophobicContact CB-CG1 4.33Å; V300-I304 HydrophobicContact CG1-CD1 4.09Å; V300-I304 HydrophobicContact CG1-CG1 3.89Å; V300-I304 HydrophobicContact CG2-CD1 4.24Å; P302-I304 PolarHBondContact O-N 3.37Å; I304-Y324 HydrophobicContact CG2-CD1 4.32Å; I304-Y324 HydrophobicContact CG2-CE1 4.37Å; I304-M340 HydrophobicContact CD1-SD 4.37Å; I304-A345 HydrophobicContact CB-CB 3.92Å; I304-A345 HydrophobicContact CG2-CB 3.68Å; I304-I365 HydrophobicContact CD1-CD1 3.98Å; I304-I365 HydrophobicContact CG1-CD1 4.23Å; I304-I365 HydrophobicContact CG2-CD1 3.67Å; I304-L381 HydrophobicContact CD1-CD2 4.43Å
305Q90.1Very high87.8Confident106 Ų10660.4 Ų60.450%0.49532%0.32SS..EExtended strand (participates in β ladder)trans-143142.8177.2-66.7-178.5-900109F265 L266 P303F265-Q305 CarbonylContact C-O 3.56Å; F265-Q305 WeakPolarHBondContact CA-O 3.41Å; L266-Q305 HydrophobicContact CB-CB 4.38Å; L266-Q305 PolarHBondContact N-O 2.93Å; P303-Q305 PolarHBondContact O-N 3.49Å
306A89.9Confident87.5Confident9 Ų963.2 Ų63.27%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-132.6149.9169.800000109.6M264 F265 I322 Y324 A367M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.19Å; M264-A306 WeakPolarHBondContact O-CB 3.16Å; F265-A306 HydrophobicContact CD1-CB 3.95Å; F265-A306 HydrophobicContact CE1-CB 4.24Å; F265-A306 HydrophobicContact CG-CB 4.39Å; A306-I322 HydrophobicContact CB-CD1 4.26Å; A306-I322 HydrophobicContact CB-CG2 4.21Å; A306-I322 VanDerWaalsContact O-CD1 3.23Å; A306-I322 WeakPolarHBondContact O-CD1 3.45Å; A306-Y324 HydrophobicContact CB-CE1 3.78Å; A306-Y324 PolarHBondContact N-OH 2.85Å; A306-Y324 PolarHBondContact O-OH 3.24Å; A306-A367 HydrophobicContact CB-CB 4Å
307I88.2Confident87.3Confident77 Ų7765 Ų6540%0.39536%0.357SS..EExtended strand (participates in β ladder)trans-128.2149.7175.460.3168.7000109.7P263 M264 L266P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.43Å; M264-I307 HydrophobicContact CE-CD1 4.15Å; M264-I307 HydrophobicContact CE-CG1 4.16Å; M264-I307 PolarHBondContact N-O 2.86Å; M264-I307 PolarHBondContact O-N 2.91Å; L266-I307 HydrophobicContact CD1-CD1 4.28Å; L266-I307 HydrophobicContact CD1-CG1 4.2Å; L266-I307 HydrophobicContact CD1-CG2 3.83Å; L266-I307 HydrophobicContact CD2-CD1 4.31Å; L266-I307 HydrophobicContact CD2-CG1 4.32Å; L266-I307 HydrophobicContact CG-CG1 4.33Å
308D87.8Confident87Confident7 Ų766.3 Ų66.34%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-66.1132.6169.6173.318.4000109.2D310 R319D308-D310 VanDerWaalsContact C-N 3.31Å; D308-D310 PolarHBondContact OD1-N 2.86Å; D308-D310 VanDerWaalsContact OD1-N 3.14Å; D308-R319 PolarHBondContact O-NH2 3.29Å; D308-R319 IonicContact OD2-NE 3.71Å; D308-R319 PolarHBondContact OD2-NE 2.92Å
309Q86Confident86.8Confident67 Ų6771.5 Ų71.531%0.31338%0.379SS..SBendtrans-77.7-18.5-176-71.9-178.1-67.500112.8L261 G262 M264L261-Q309 HydrophobicContact CB-CB 3.64Å; L261-Q309 HydrophobicContact CD1-CB 3.89Å; L261-Q309 HydrophobicContact CG-CB 4.41Å; G262-Q309 WeakPolarHBondContact O-CB 3.48Å; G262-Q309 WeakPolarHBondContact O-CG 3.42Å; G262-Q309 PolarHBondContact O-N 2.95Å; G262-Q309 PolarHBondContact O-OE1 3.48Å; G262-Q309 VanDerWaalsContact O-OE1 3.1Å; M264-Q309 HydrophobicContact CB-CG 3.58Å; M264-Q309 HydrophobicContact SD-CG 4.29Å
310D88.4Confident86.5Confident1 Ų164.8 Ų64.81%0.00535%0.345CS..  trans-69.5138174.9-60-42.4000110.6D259 L261 D308 I313 R319D259-D310 WeakPolarHBondContact CA-OD2 3.16Å; L261-D310 VanDerWaalsContact CB-OD1 3.23Å; L261-D310 WeakPolarHBondContact CB-OD1 3.35Å; L261-D310 VanDerWaalsContact CG-OD1 3.25Å; L261-D310 WeakPolarHBondContact CG-OD1 3.26Å; L261-D310 PolarHBondContact N-OD1 2.94Å; D308-D310 VanDerWaalsContact C-N 3.31Å; D308-D310 PolarHBondContact OD1-N 2.86Å; D308-D310 VanDerWaalsContact OD1-N 3.14Å; D310-I313 HydrophobicContact CB-CD1 3.7Å; D310-I313 HydrophobicContact CB-CG1 3.93Å; D310-R319 PolarHBondContact O-NH2 3.15Å; D310-R319 VanDerWaalsContact O-NH2 3.16Å
311R83.5Confident86.4Confident154 Ų15465.2 Ų65.258%0.58135%0.353SS*.SBendtrans-86-35.7-164-73.5-177.8176.4160.79113.4Y222 E223 D257Y222-R311 HydrophobicContact CE1-CB 4.14Å; E223-R311 PolarHBondContact O-NH1 3.33Å; D257-R311 PolarHBondContact OD2-N 3.31Å; D257-R311 VanDerWaalsContact OD2-N 3.09Å
312N85.2Confident86.7Confident70 Ų7061.6 Ų61.637%0.37433%0.33SS..  trans-162.252.9-164.7-169.836.4000113.5Y222 D257 Q314Y222-N312 HydrophobicContact CE1-CB 4.08Å; Y222-N312 WeakPolarHBondContact OH-CB 3.39Å; Y222-N312 PolarHBondContact OH-ND2 3Å; D257-N312 WeakPolarHBondContact CB-O 3.12Å; D257-N312 WeakPolarHBondContact OD2-CA 3.37Å; D257-N312 PolarHBondContact OD2-N 2.91Å; N312-Q314 PolarHBondContact O-N 2.86Å; N312-Q314 PolarHBondContact OD1-NE2 3.01Å
313I85.8Confident86.9Confident16 Ų1662.2 Ų62.28%0.08233%0.331CS..  trans-59.6127.1168.1-61.6169.9000109.4D259 D310 D318D259-I313 HydrophobicContact CB-CD1 3.94Å; D310-I313 HydrophobicContact CB-CD1 3.7Å; D310-I313 HydrophobicContact CB-CG1 3.93Å; I313-D318 HydrophobicContact CG2-CB 4.11Å
314Q81.1Confident87.1Confident108 Ų10859.4 Ų59.451%0.50531%0.31SS..SBendtrans-124.3137.7-177.1-71.3-66.9-30.900111.4N312N312-Q314 PolarHBondContact O-N 2.86Å; N312-Q314 PolarHBondContact OD1-NE2 3.01Å
315P86.7Confident87.2Confident62 Ų6260.9 Ų60.940%0.40332%0.321SS..SBendcis-68.1162.6-3.829.6-36.3000112.9S317 D318P315-S317 WeakPolarHBondContact CG-OG 3.39Å; P315-S317 PolarHBondContact O-N 2.93Å; P315-D318 PolarHBondContact O-N 2.92Å
316P80.6Confident87.4Confident96 Ų9657.2 Ų57.262%0.62331%0.305SS*.G310 helixtrans-60.1-18-178.2-23.635.2000114.4D318 R319P316-D318 PolarHBondContact O-N 3.25Å; P316-R319 WeakPolarHBondContact O-CB 3.09Å; P316-R319 PolarHBondContact O-N 2.79Å
317S84.1Confident87.4Confident96 Ų9660.9 Ų60.967%0.67132%0.323SS*.G310 helixtrans-67.8-21.3174.255.60000114P315 R319P315-S317 WeakPolarHBondContact CG-OG 3.39Å; P315-S317 PolarHBondContact O-N 2.93Å; S317-R319 VanDerWaalsContact C-N 3.31Å
318D82.9Confident87.6Confident102 Ų10261.1 Ų61.155%0.54533%0.328SS..G310 helixtrans-90.9-4-178.1-668.7000111.1I313 P315 P316I313-D318 HydrophobicContact CG2-CB 4.11Å; P315-D318 PolarHBondContact O-N 2.92Å; P316-D318 PolarHBondContact O-N 3.25Å
319R85.4Confident87.7Confident120 Ų12061.4 Ų61.445%0.45333%0.332SS..SBendtrans-69.5123.2175.3-166.2177.4-166.8175.36.3109.7D308 D310 P316 S317D308-R319 PolarHBondContact O-NH2 3.29Å; D308-R319 IonicContact OD2-NE 3.71Å; D308-R319 PolarHBondContact OD2-NE 2.92Å; D310-R319 PolarHBondContact O-NH2 3.15Å; D310-R319 VanDerWaalsContact O-NH2 3.16Å; P316-R319 WeakPolarHBondContact O-CB 3.09Å; P316-R319 PolarHBondContact O-N 2.79Å; S317-R319 VanDerWaalsContact C-N 3.31Å
320P86.2Confident87.9Confident12 Ų1262.2 Ų62.28%0.07834%0.342CS..PPolyproline II helixtrans-66.4142.6-176.624.1-30.9000112.2Q369 D370 N371P320-Q369 HydrophobicContact CB-CB 3.91Å; P320-Q369 HydrophobicContact CB-CG 4Å; P320-Q369 HydrophobicContact CG-CB 4.36Å; P320-Q369 HydrophobicContact CG-CG 3.97Å; P320-D370 WeakPolarHBondContact CA-OD1 3.21Å; P320-N371 HydrophobicContact CB-CB 4.35Å
321G88.6Confident88Confident29 Ų2964 Ų6430%0.29935%0.353SS..PPolyproline II helixtrans-76.8158.8168.100000111.1Q369 D370G321-Q369 CarbonylContact O-C 3.56Å; G321-Q369 WeakPolarHBondContact O-CA 3.15Å; G321-D370 WeakPolarHBondContact CA-OD2 3.19Å; G321-D370 PolarHBondContact N-OD1 3.04Å; G321-D370 PolarHBondContact N-OD2 2.96Å; G321-D370 PolarHBondContact O-N 3.08Å
322I91.2Very high88.2Confident28 Ų2865.3 Ų65.314%0.14437%0.366CS..EExtended strand (participates in β ladder)trans-109129.5179.1-60.2169.8000109.9P263 A306 Y324 A367 E368P263-I322 HydrophobicContact CB-CD1 4.04Å; P263-I322 HydrophobicContact CB-CG1 4.23Å; P263-I322 HydrophobicContact CB-CG2 4.4Å; A306-I322 HydrophobicContact CB-CD1 4.26Å; A306-I322 HydrophobicContact CB-CG2 4.21Å; A306-I322 VanDerWaalsContact O-CD1 3.23Å; A306-I322 WeakPolarHBondContact O-CD1 3.45Å; I322-Y324 HydrophobicContact CB-CE2 4.48Å; I322-Y324 HydrophobicContact CG2-CE1 4.16Å; I322-Y324 HydrophobicContact CG2-CE2 4.04Å; I322-A367 HydrophobicContact CG2-CB 3.97Å; I322-E368 CarbonylContact C-O 3.58Å; I322-E368 WeakPolarHBondContact CA-O 3.45Å
323L92.8Very high88.4Confident53 Ų5364.8 Ų64.828%0.27736%0.363SS..EExtended strand (participates in β ladder)trans-106.9128.6176.3-62.2175.9000110.5P342 R343 A367 E368 D370L323-P342 CarbonylContact C-O 3.53Å; L323-P342 VanDerWaalsContact CA-O 3.29Å; L323-P342 WeakPolarHBondContact CA-O 3.32Å; L323-R343 HydrophobicContact CD2-CG 4.37Å; L323-A367 WeakPolarHBondContact O-CA 3.24Å; L323-E368 HydrophobicContact CB-CG 4.05Å; L323-E368 PolarHBondContact N-O 3.36Å; L323-E368 PolarHBondContact O-N 3.49Å; L323-D370 HydrophobicContact CD1-CB 4.02Å; L323-D370 HydrophobicContact CG-CB 4.15Å
324Y94.2Very high88.7Confident22 Ų2265.4 Ų65.49%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-102.6138177.9-56.9-89.1000110.4F265 I304 A306 I322 P342 A345 K366 A367F265-Y324 HydrophobicContact CE1-CD1 4.08Å; F265-Y324 AromaticContact CE1-CE1 3.97Å; F265-Y324 HydrophobicContact CE1-CE1 3.97Å; I304-Y324 HydrophobicContact CG2-CD1 4.32Å; I304-Y324 HydrophobicContact CG2-CE1 4.37Å; A306-Y324 HydrophobicContact CB-CE1 3.78Å; A306-Y324 PolarHBondContact N-OH 2.85Å; A306-Y324 PolarHBondContact O-OH 3.24Å; I322-Y324 HydrophobicContact CB-CE2 4.48Å; I322-Y324 HydrophobicContact CG2-CE1 4.16Å; I322-Y324 HydrophobicContact CG2-CE2 4.04Å; Y324-P342 PolarHBondContact N-O 3.45Å; Y324-P342 WeakPolarHBondContact O-CA 3.28Å; Y324-A345 HydrophobicContact CD1-CB 3.8Å; Y324-A345 HydrophobicContact CD2-CB 3.78Å; Y324-A345 HydrophobicContact CE1-CB 4.06Å; Y324-A345 HydrophobicContact CE2-CB 4.05Å; Y324-A345 HydrophobicContact CG-CB 3.64Å; Y324-K366 WeakPolarHBondContact CA-O 3.48Å; Y324-A367 HydrophobicContact CD1-CB 4.28Å; Y324-A367 HydrophobicContact CE1-CB 4.31Å
325S93.1Very high89.3Confident44 Ų4463.7 Ų63.731%0.30836%0.363SS..EExtended strand (participates in β ladder)trans-149.1154.6173.156.70000111.8M340 I365 K366S325-M340 VanDerWaalsContact CA-CE 3.41Å; S325-M340 VanDerWaalsContact N-CE 3.26Å; S325-M340 VanDerWaalsContact O-CE 3.32Å; S325-M340 WeakPolarHBondContact O-CE 3.41Å; S325-I365 CarbonylContact O-C 3.43Å; S325-I365 WeakPolarHBondContact O-CA 3.27Å; S325-K366 PolarHBondContact N-O 3.27Å; S325-K366 PolarHBondContact O-N 3.17Å
326I93.2Very high89.5Confident29 Ų2967 Ų6715%0.14937%0.368CS..EExtended strand (participates in β ladder)trans-88.2114.3170.3-52.6168.4000106.9Y334 M340 L347 L363 I365I326-Y334 HydrophobicContact CB-CE2 3.89Å; I326-Y334 HydrophobicContact CD1-CD2 4.39Å; I326-Y334 HydrophobicContact CD1-CE2 4.1Å; I326-Y334 HydrophobicContact CG2-CD2 4.16Å; I326-Y334 HydrophobicContact CG2-CE2 3.37Å; I326-M340 HydrophobicContact CD1-CB 4.04Å; I326-M340 HydrophobicContact CG1-CB 3.96Å; I326-M340 HydrophobicContact CG1-CE 3.99Å; I326-L347 HydrophobicContact CD1-CD1 4.37Å; I326-L363 HydrophobicContact CD1-CD1 4.24Å; I326-L363 HydrophobicContact CG2-CB 4.13Å; I326-L363 HydrophobicContact CG2-CD1 4.45Å; I326-I365 HydrophobicContact CG1-CG2 4.33Å
327L90.8Very high90.1Very high86 Ų8662.7 Ų62.745%0.4534%0.339SS..EExtended strand (participates in β ladder)trans-75.6-53.6-175.4179.768.2000111.7V364 K366 F378L327-V364 WeakPolarHBondContact CB-O 3.27Å; L327-V364 PolarHBondContact N-O 2.71Å; L327-K366 HydrophobicContact CB-CB 4.4Å; L327-F378 HydrophobicContact CD2-CD1 4.08Å; L327-F378 HydrophobicContact CD2-CE1 3.8Å
328V91.9Very high90.5Very high82 Ų8258.3 Ų58.350%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-151.8157.3-179.9-71.30000109.3V364V328-V364 HydrophobicContact CG2-CB 3.94Å; V328-V364 HydrophobicContact CG2-CG2 4Å; V328-V364 PolarHBondContact O-N 2.87Å
329G90.8Very high91Very high13 Ų1357.9 Ų57.913%0.13430%0.302CS..EExtended strand (participates in β ladder)trans-156.9156.7177.800000112.5P331 Y334 D362G329-P331 CarbonylContact C-O 3.41Å; G329-P331 CarbonylContact O-C 3.59Å; G329-Y334 VanDerWaalsContact N-CE1 3.34Å; G329-D362 CarbonylContact C-O 3.52Å; G329-D362 VanDerWaalsContact CA-O 3.23Å; G329-D362 WeakPolarHBondContact CA-O 3.32Å
330T89.8Confident91.4Very high84 Ų8452.8 Ų52.852%0.51528%0.284SS..EExtended strand (participates in β ladder)trans-118.4131.7169.756.50000109.7F361 D362T330-F361 WeakPolarHBondContact O-CA 3.26Å; T330-D362 PolarHBondContact N-O 3.3Å; T330-D362 PolarHBondContact O-N 2.83Å; T330-D362 WeakPolarHBondContact OG1-CB 3.3Å
331P90.4Very high91.8Very high38 Ų3856 Ų5625%0.24730%0.297CS..SBendcis-66.4162.4-433.1-41.4000113.5G329 D333 Y334 F361G329-P331 CarbonylContact C-O 3.41Å; G329-P331 CarbonylContact O-C 3.59Å; P331-D333 WeakPolarHBondContact CB-OD1 3.29Å; P331-D333 WeakPolarHBondContact CG-OD1 3.45Å; P331-D333 PolarHBondContact O-N 2.81Å; P331-Y334 WeakPolarHBondContact O-CD1 3.28Å; P331-Y334 PolarHBondContact O-N 2.81Å; P331-F361 VanDerWaalsContact CD-CD1 3.5Å; P331-F361 HydrophobicContact CG-CD1 3.91Å; P331-F361 HydrophobicContact CG-CE1 3.57Å; P331-F361 HydrophobicContact CG-CZ 4.3Å
332E87.7Confident92Very high181 Ų18157.3 Ų57.385%0.84630%0.301SS*.THydrogen-bonded Turntrans-65.1-19.8-174.5-70-170.9166.400113.6Y334 P335E332-Y334 VanDerWaalsContact C-N 3.31Å; E332-P335 WeakPolarHBondContact O-CD 3.46Å
333D90Very high91.9Very high59 Ų5965.2 Ų65.232%0.31633%0.329SS..THydrogen-bonded Turntrans-88.310.1179.167.8-30.6000113.8P331 P335 R336 H358P331-D333 WeakPolarHBondContact CB-OD1 3.29Å; P331-D333 WeakPolarHBondContact CG-OD1 3.45Å; P331-D333 PolarHBondContact O-N 2.81Å; D333-P335 WeakPolarHBondContact O-CD 3.5Å; D333-P335 VanDerWaalsContact O-N 3.08Å; D333-R336 VanDerWaalsContact O-CB 3.29Å; D333-R336 WeakPolarHBondContact O-CB 3.48Å; D333-R336 PolarHBondContact O-N 2.77Å; D333-H358 IonicContact OD1-NE2 3.15Å; D333-H358 IonicContact OD2-CE1 2.76Å; D333-H358 IonicContact OD2-NE2 2.92Å
334Y92.1Very high91.8Very high30 Ų3066 Ų6612%0.11834%0.336CS..G310 helixtrans-46.8-33.6171.780.6-92.8000115.5I326 G329 P331 E332 R336 F337 F338 L363I326-Y334 HydrophobicContact CB-CE2 3.89Å; I326-Y334 HydrophobicContact CD1-CD2 4.39Å; I326-Y334 HydrophobicContact CD1-CE2 4.1Å; I326-Y334 HydrophobicContact CG2-CD2 4.16Å; I326-Y334 HydrophobicContact CG2-CE2 3.37Å; G329-Y334 VanDerWaalsContact N-CE1 3.34Å; P331-Y334 WeakPolarHBondContact O-CD1 3.28Å; P331-Y334 PolarHBondContact O-N 2.81Å; E332-Y334 VanDerWaalsContact C-N 3.31Å; Y334-R336 PolarHBondContact O-N 2.72Å; Y334-R336 VanDerWaalsContact O-N 3.12Å; Y334-F337 PolarHBondContact O-N 2.75Å; Y334-F338 PolarHBondContact O-N 3.04Å; Y334-L363 HydrophobicContact CD1-CD2 4.08Å; Y334-L363 HydrophobicContact CD2-CD2 3.82Å; Y334-L363 HydrophobicContact CG-CD2 3.58Å
335P92Very high91.6Very high71 Ų7165.2 Ų65.246%0.46133%0.334SS..G310 helixtrans-65.6-16.1-179.9-20.334000113.3E332 D333 F337E332-P335 WeakPolarHBondContact O-CD 3.46Å; D333-P335 WeakPolarHBondContact O-CD 3.5Å; D333-P335 VanDerWaalsContact O-N 3.08Å; P335-F337 VanDerWaalsContact C-N 3.33Å
336R91.1Very high91.5Very high133 Ų13368 Ų6850%0.50234%0.342SS..G310 helixtrans-73.1-29.1173.1-162.317776.8164.58.2111.9D333 Y334 L350 E351D333-R336 VanDerWaalsContact O-CB 3.29Å; D333-R336 WeakPolarHBondContact O-CB 3.48Å; D333-R336 PolarHBondContact O-N 2.77Å; Y334-R336 PolarHBondContact O-N 2.72Å; Y334-R336 VanDerWaalsContact O-N 3.12Å; R336-L350 WeakPolarHBondContact O-CB 3.36Å; R336-E351 IonicContact CZ-OE2 2.87Å; R336-E351 IonicContact NE-OE2 2.73Å; R336-E351 PolarHBondContact NE-OE2 2.88Å; R336-E351 IonicContact NH2-OE2 2.94Å
337F92.8Very high91.5Very high4 Ų466.7 Ų66.72%0.01834%0.336CS..THydrogen-bonded Turntrans-103.4-38.7-174.7-57-74.9000112.7Y334 P335 L349 L350 E351 V353 H358 F361Y334-F337 PolarHBondContact O-N 2.75Å; P335-F337 VanDerWaalsContact C-N 3.33Å; F337-L349 CarbonylContact O-C 3.58Å; F337-L349 WeakPolarHBondContact O-CA 3.43Å; F337-L350 PolarHBondContact O-N 2.91Å; F337-E351 HydrophobicContact CD1-CB 4.1Å; F337-E351 HydrophobicContact CE1-CB 4.46Å; F337-V353 HydrophobicContact CB-CG2 4.11Å; F337-V353 HydrophobicContact CD1-CG2 3.64Å; F337-V353 HydrophobicContact CE1-CG2 4.25Å; F337-V353 HydrophobicContact CG-CG2 3.99Å; F337-H358 AromaticContact CE2-CE1 3.66Å; F337-H358 AromaticContact CE2-ND1 3.77Å; F337-H358 AromaticContact CZ-CE1 3.62Å; F337-H358 AromaticContact CZ-ND1 3.61Å; F337-F361 AromaticContact CD2-CE1 3.73Å; F337-F361 HydrophobicContact CD2-CE1 3.73Å; F337-F361 AromaticContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CE2-CE1 4.26Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.47Å; F337-F361 HydrophobicContact CG-CZ 4.21Å
338F94.3Very high91.7Very high4 Ų464.5 Ų64.52%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-122.2134.8-171.2-58.7-73.8000112.5I286 I298 Y334 L347 T348 L349 V353 F361 I383I286-F338 HydrophobicContact CD1-CE1 3.58Å; I286-F338 HydrophobicContact CD1-CZ 4.06Å; I298-F338 HydrophobicContact CD1-CD1 3.66Å; I298-F338 HydrophobicContact CD1-CE1 3.67Å; Y334-F338 PolarHBondContact O-N 3.04Å; F338-L347 HydrophobicContact CB-CD1 4.22Å; F338-L347 HydrophobicContact CD1-CD2 4.46Å; F338-L347 HydrophobicContact CD1-CG 4.49Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; F338-L349 HydrophobicContact CD1-CD1 4.23Å; F338-L349 HydrophobicContact CE1-CD1 3.71Å; F338-L349 HydrophobicContact CZ-CD1 4.17Å; F338-V353 HydrophobicContact CZ-CG2 4.28Å; F338-F361 HydrophobicContact CD2-CD1 4.09Å; F338-F361 HydrophobicContact CD2-CE1 4.38Å; F338-F361 HydrophobicContact CD2-CG 4.21Å; F338-F361 HydrophobicContact CE2-CB 4.2Å; F338-F361 AromaticContact CE2-CD1 3.69Å; F338-F361 HydrophobicContact CE2-CD1 3.69Å; F338-F361 AromaticContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CD2 3.49Å; F338-F361 VanDerWaalsContact CE2-CD2 3.49Å; F338-F361 AromaticContact CE2-CE1 3.89Å; F338-F361 HydrophobicContact CE2-CE1 3.89Å; F338-F361 AromaticContact CE2-CE2 3.7Å; F338-F361 HydrophobicContact CE2-CE2 3.7Å; F338-F361 AromaticContact CE2-CG 3.51Å; F338-F361 HydrophobicContact CE2-CG 3.51Å; F338-F361 AromaticContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CZ-CD2 4.01Å; F338-F361 HydrophobicContact CZ-CE2 4.22Å; F338-F361 HydrophobicContact CZ-CG 4.38Å; F338-I383 HydrophobicContact CD1-CD1 3.93Å; F338-I383 HydrophobicContact CD2-CD1 4.14Å; F338-I383 HydrophobicContact CE1-CD1 3.82Å; F338-I383 HydrophobicContact CE1-CG2 4.35Å; F338-I383 HydrophobicContact CE2-CD1 4.05Å; F338-I383 HydrophobicContact CG-CD1 4.09Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.06Å
339H93.5Very high91.7Very high94 Ų9460.7 Ų60.744%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-126.8138.5171178.3-90.2000109.6T348 L350H339-T348 PolarHBondContact N-O 3.33Å; H339-T348 PolarHBondContact O-N 2.88Å; H339-T348 PolarHBondContact O-OG1 3.4Å; H339-L350 HydrophobicContact CB-CD1 4.16Å; H339-L350 HydrophobicContact CB-CD2 4.17Å; H339-L350 HydrophobicContact CB-CG 4.22Å
340M93.9Very high91.8Very high12 Ų1264.2 Ų64.26%0.05932%0.318CS..EExtended strand (participates in β ladder)trans-114.4128176.4-172.9171.160.900109.7I304 S325 I326 E346 L347 I365I304-M340 HydrophobicContact CD1-SD 4.37Å; S325-M340 VanDerWaalsContact CA-CE 3.41Å; S325-M340 VanDerWaalsContact N-CE 3.26Å; S325-M340 VanDerWaalsContact O-CE 3.32Å; S325-M340 WeakPolarHBondContact O-CE 3.41Å; I326-M340 HydrophobicContact CD1-CB 4.04Å; I326-M340 HydrophobicContact CG1-CB 3.96Å; I326-M340 HydrophobicContact CG1-CE 3.99Å; M340-E346 WeakPolarHBondContact CA-O 3.33Å; M340-L347 HydrophobicContact CB-CD1 4.32Å; M340-I365 HydrophobicContact CE-CB 4.17Å; M340-I365 HydrophobicContact CE-CG2 3.92Å; M340-I365 HydrophobicContact SD-CG2 4.05Å
341H93.6Very high91.8Very high79 Ų7964.1 Ų64.137%0.36631%0.312SS..  trans-70.5129.6-179.4-171.8-95.9000111R343 T344 A345 E346H341-R343 VanDerWaalsContact C-N 3.28Å; H341-R343 PolarHBondContact O-N 2.9Å; H341-R343 VanDerWaalsContact O-N 3.16Å; H341-T344 WeakPolarHBondContact CB-OG1 2.78Å; H341-T344 VanDerWaalsContact CG-OG1 3.29Å; H341-T344 PolarHBondContact ND1-N 3.26Å; H341-T344 PolarHBondContact ND1-OG1 3Å; H341-A345 WeakPolarHBondContact O-CA 3.32Å; H341-A345 PolarHBondContact O-N 3.07Å; H341-E346 HydrophobicContact CB-CB 4.32Å; H341-E346 PolarHBondContact N-O 3.17Å
342P91.7Very high91.7Very high57 Ų5765.2 Ų65.237%0.3732%0.319SS..THydrogen-bonded Turntrans-69.7-18.7-165.625-35000114.8L323 Y324L323-P342 CarbonylContact C-O 3.53Å; L323-P342 VanDerWaalsContact CA-O 3.29Å; L323-P342 WeakPolarHBondContact CA-O 3.32Å; Y324-P342 PolarHBondContact N-O 3.45Å; Y324-P342 WeakPolarHBondContact O-CA 3.28Å
343R90.8Very high91.8Very high194 Ų19456.8 Ų56.873%0.73228%0.279SS*.THydrogen-bonded Turntrans-110.4-30.6-179-65.3-176.9-179.9-140.4-3.6114.3L323 H341L323-R343 HydrophobicContact CD2-CG 4.37Å; H341-R343 VanDerWaalsContact C-N 3.28Å; H341-R343 PolarHBondContact O-N 2.9Å; H341-R343 VanDerWaalsContact O-N 3.16Å
344T89.7Confident91.5Very high69 Ų6956 Ų5642%0.42328%0.275SS..THydrogen-bonded Turntrans-101.6-11-174.556.40000112.6H341 E346H341-T344 WeakPolarHBondContact CB-OG1 2.78Å; H341-T344 VanDerWaalsContact CG-OG1 3.29Å; H341-T344 PolarHBondContact ND1-N 3.26Å; H341-T344 PolarHBondContact ND1-OG1 3Å; T344-E346 PolarHBondContact O-N 3.4Å; T344-E346 VanDerWaalsContact O-N 3.15Å; T344-E346 PolarHBondContact OG1-OE2 2.73Å
345A89.7Confident91.2Very high6 Ų657.2 Ų57.25%0.0528%0.28CS..  trans57.917-172.700000114.5I304 Y324 H341 L347I304-A345 HydrophobicContact CB-CB 3.92Å; I304-A345 HydrophobicContact CG2-CB 3.68Å; Y324-A345 HydrophobicContact CD1-CB 3.8Å; Y324-A345 HydrophobicContact CD2-CB 3.78Å; Y324-A345 HydrophobicContact CE1-CB 4.06Å; Y324-A345 HydrophobicContact CE2-CB 4.05Å; Y324-A345 HydrophobicContact CG-CB 3.64Å; H341-A345 WeakPolarHBondContact O-CA 3.32Å; H341-A345 PolarHBondContact O-N 3.07Å; A345-L347 PolarHBondContact O-N 2.95Å
346E91.7Very high90.4Very high103 Ų10358 Ų5848%0.48128%0.28SS..  trans-70.5126.3177.2-71.5165.6153.500110.1M340 H341 T344M340-E346 WeakPolarHBondContact CA-O 3.33Å; H341-E346 HydrophobicContact CB-CB 4.32Å; H341-E346 PolarHBondContact N-O 3.17Å; T344-E346 PolarHBondContact O-N 3.4Å; T344-E346 VanDerWaalsContact O-N 3.15Å; T344-E346 PolarHBondContact OG1-OE2 2.73Å
347L93.8Very high90Very high2 Ų259.1 Ų59.11%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-93.2126.9178.8-171.873.6000109.5I298 V300 I326 F338 M340 A345 L381 I383I298-L347 HydrophobicContact CB-CB 4.27Å; I298-L347 HydrophobicContact CB-CD2 4.1Å; I298-L347 HydrophobicContact CB-CG 4.33Å; I298-L347 WeakPolarHBondContact CB-O 3.3Å; I298-L347 HydrophobicContact CD1-CD2 3.9Å; I298-L347 HydrophobicContact CD1-CG 3.89Å; I298-L347 HydrophobicContact CG2-CD2 4Å; I298-L347 PolarHBondContact N-O 3.04Å; V300-L347 HydrophobicContact CG2-CB 4.32Å; V300-L347 HydrophobicContact CG2-CD2 4.1Å; I326-L347 HydrophobicContact CD1-CD1 4.37Å; F338-L347 HydrophobicContact CB-CD1 4.22Å; F338-L347 HydrophobicContact CD1-CD2 4.46Å; F338-L347 HydrophobicContact CD1-CG 4.49Å; M340-L347 HydrophobicContact CB-CD1 4.32Å; A345-L347 PolarHBondContact O-N 2.95Å; L347-L381 HydrophobicContact CD1-CD2 4.31Å; L347-L381 HydrophobicContact CD2-CD2 3.93Å; L347-I383 HydrophobicContact CD2-CD1 3.89Å
348T93.6Very high89.6Confident39 Ų3960.6 Ų60.624%0.23930%0.296CS..EExtended strand (participates in β ladder)trans-122.5142.2178.3580000111.8N296 F338 H339N296-T348 WeakPolarHBondContact OD1-CA 3.41Å; N296-T348 WeakPolarHBondContact OD1-CB 3.41Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; H339-T348 PolarHBondContact N-O 3.33Å; H339-T348 PolarHBondContact O-N 2.88Å; H339-T348 PolarHBondContact O-OG1 3.4Å
349L93.6Very high89.2Confident3 Ų365.9 Ų65.92%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-81.6131.3168.8-167.870.6000109.8P292 L295 N296 I298 F337 F338 E351 V353P292-L349 WeakPolarHBondContact CB-O 2.92Å; L295-L349 HydrophobicContact CD2-CB 4.21Å; L295-L349 HydrophobicContact CD2-CD2 3.87Å; N296-L349 PolarHBondContact ND2-O 3.37Å; N296-L349 PolarHBondContact OD1-N 2.92Å; I298-L349 HydrophobicContact CD1-CB 4.05Å; F337-L349 CarbonylContact O-C 3.58Å; F337-L349 WeakPolarHBondContact O-CA 3.43Å; F338-L349 HydrophobicContact CD1-CD1 4.23Å; F338-L349 HydrophobicContact CE1-CD1 3.71Å; F338-L349 HydrophobicContact CZ-CD1 4.17Å; L349-E351 VanDerWaalsContact CD1-O 3.3Å; L349-E351 WeakPolarHBondContact CD1-O 3.41Å; L349-E351 WeakPolarHBondContact CG-O 3.18Å; L349-V353 HydrophobicContact CD1-CG2 4.02Å
350L91.3Very high89.1Confident87 Ų8766.5 Ų66.546%0.45532%0.322SS..SBendtrans-98.8-43.1177-61.9178000111.9P292 R336 F337 H339P292-L350 WeakPolarHBondContact CG-O 3.44Å; R336-L350 WeakPolarHBondContact O-CB 3.36Å; F337-L350 PolarHBondContact O-N 2.91Å; H339-L350 HydrophobicContact CB-CD1 4.16Å; H339-L350 HydrophobicContact CB-CD2 4.17Å; H339-L350 HydrophobicContact CB-CG 4.22Å
351E89.7Confident89.1Confident82 Ų8265.9 Ų65.938%0.38332%0.319SS..SBendtrans-130.2143.6-179.5-70.6-176.3-17800110R336 F337 L349 V353R336-E351 IonicContact CZ-OE2 2.87Å; R336-E351 IonicContact NE-OE2 2.73Å; R336-E351 PolarHBondContact NE-OE2 2.88Å; R336-E351 IonicContact NH2-OE2 2.94Å; F337-E351 HydrophobicContact CD1-CB 4.1Å; F337-E351 HydrophobicContact CE1-CB 4.46Å; L349-E351 VanDerWaalsContact CD1-O 3.3Å; L349-E351 WeakPolarHBondContact CD1-O 3.41Å; L349-E351 WeakPolarHBondContact CG-O 3.18Å; E351-V353 PolarHBondContact O-N 2.8Å
352P89.5Confident89Confident61 Ų6164.8 Ų64.840%0.39632%0.316SS..PPolyproline II helixtrans-55.8135.2172.4-21.731.6000111.2R290R290-P352 WeakPolarHBondContact O-CB 3.39Å
353V89.3Confident89.2Confident3 Ų362.2 Ų62.22%0.01830%0.299CS..PPolyproline II helixtrans-95.9129.1177179.80000108.9E288 L289 F337 F338 L349 E351 H358 F361 I385E288-V353 WeakPolarHBondContact CA-O 3.31Å; L289-V353 PolarHBondContact N-O 2.86Å; F337-V353 HydrophobicContact CB-CG2 4.11Å; F337-V353 HydrophobicContact CD1-CG2 3.64Å; F337-V353 HydrophobicContact CE1-CG2 4.25Å; F337-V353 HydrophobicContact CG-CG2 3.99Å; F338-V353 HydrophobicContact CZ-CG2 4.28Å; L349-V353 HydrophobicContact CD1-CG2 4.02Å; E351-V353 PolarHBondContact O-N 2.8Å; V353-H358 HydrophobicContact CG1-CB 4Å; V353-F361 HydrophobicContact CG1-CE2 3.91Å; V353-F361 HydrophobicContact CG1-CZ 4.33Å; V353-F361 HydrophobicContact CG2-CE2 4.29Å; V353-F361 HydrophobicContact CG2-CZ 4.47Å; V353-I385 HydrophobicContact CB-CD1 4.16Å; V353-I385 HydrophobicContact CG1-CD1 3.88Å; V353-I385 HydrophobicContact CG1-CG1 3.8Å; V353-I385 HydrophobicContact CG1-CG2 4.27Å; V353-I385 HydrophobicContact CG2-CD1 4.47Å
354N84.7Confident89.2Confident43 Ų4355 Ų5523%0.2328%0.277CS..PPolyproline II helixtrans-96.5126.1170.7176.3-40.5000108.5L289 D356 F357 H358L289-N354 HydrophobicContact CD2-CB 3.87Å; N354-D356 VanDerWaalsContact C-N 3.27Å; N354-D356 PolarHBondContact O-N 2.88Å; N354-D356 WeakPolarHBondContact OD1-CA 3.42Å; N354-D356 WeakPolarHBondContact OD1-CB 3.2Å; N354-D356 PolarHBondContact OD1-N 2.8Å; N354-D356 PolarHBondContact OD1-OD2 2.77Å; N354-F357 HydrophobicContact CB-CD2 3.96Å; N354-F357 PolarHBondContact O-N 2.77Å; N354-H358 PolarHBondContact O-N 2.75Å; N354-H358 VanDerWaalsContact O-N 3.14Å
355R84.4Confident89.4Confident55 Ų5551.8 Ų51.821%0.20826%0.256CS..THydrogen-bonded Turntrans-63.5-31.5-175.3-176.5-178.3172-114.68.9112.7E288 F357 H358 Q359 I385 D387 D432E288-R355 HydrophobicContact CB-CB 4.04Å; E288-R355 HydrophobicContact CG-CB 4.46Å; E288-R355 WeakPolarHBondContact OE2-CB 3.43Å; E288-R355 PolarHBondContact OE2-N 2.89Å; R355-F357 PolarHBondContact O-N 2.84Å; R355-F357 VanDerWaalsContact O-N 3.17Å; R355-H358 CarbonylContact O-C 3.59Å; R355-H358 PolarHBondContact O-N 3.19Å; R355-Q359 HydrophobicContact CG-CG 4.34Å; R355-Q359 WeakPolarHBondContact O-CG 3.31Å; R355-Q359 PolarHBondContact O-N 3.4Å; R355-I385 HydrophobicContact CB-CG2 3.97Å; R355-I385 HydrophobicContact CG-CG2 4.38Å; R355-D387 VanDerWaalsContact CD-CA 3.47Å; R355-D387 WeakPolarHBondContact CD-OD1 3.25Å; R355-D387 IonicContact CZ-OD1 3.87Å; R355-D387 VanDerWaalsContact CZ-OD1 3.24Å; R355-D387 IonicContact CZ-OD2 2.63Å; R355-D387 IonicContact NE-OD1 3.07Å; R355-D387 IonicContact NH1-OD1 3.52Å; R355-D387 PolarHBondContact NH1-OD1 3.29Å; R355-D387 IonicContact NH1-OD2 3.21Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 IonicContact NH2-OD2 3.89Å; R355-D432 PolarHBondContact NH1-O 2.9Å
356D76Confident89.5Confident89 Ų8953.5 Ų53.548%0.47626%0.263SS..THydrogen-bonded Turntrans-58.3-30.7179.4-63.6-28.1000112.5N354N354-D356 VanDerWaalsContact C-N 3.27Å; N354-D356 PolarHBondContact O-N 2.88Å; N354-D356 WeakPolarHBondContact OD1-CA 3.42Å; N354-D356 WeakPolarHBondContact OD1-CB 3.2Å; N354-D356 PolarHBondContact OD1-N 2.8Å; N354-D356 PolarHBondContact OD1-OD2 2.77Å
357F82Confident89.5Confident155 Ų15548.6 Ų48.668%0.6824%0.24SC*.THydrogen-bonded Turntrans-96.6-39.1178.8-61.4-82000111.8N354 R355N354-F357 HydrophobicContact CB-CD2 3.96Å; N354-F357 PolarHBondContact O-N 2.77Å; R355-F357 PolarHBondContact O-N 2.84Å; R355-F357 VanDerWaalsContact O-N 3.17Å
358H85.8Confident89.4Confident35 Ų3551.7 Ų51.716%0.16225%0.254CS..  trans-137.297-173.7-54.9115.4000111D333 F337 V353 N354 R355 F361 I385D333-H358 IonicContact OD1-NE2 3.15Å; D333-H358 IonicContact OD2-CE1 2.76Å; D333-H358 IonicContact OD2-NE2 2.92Å; F337-H358 AromaticContact CE2-CE1 3.66Å; F337-H358 AromaticContact CE2-ND1 3.77Å; F337-H358 AromaticContact CZ-CE1 3.62Å; F337-H358 AromaticContact CZ-ND1 3.61Å; V353-H358 HydrophobicContact CG1-CB 4Å; N354-H358 PolarHBondContact O-N 2.75Å; N354-H358 VanDerWaalsContact O-N 3.14Å; R355-H358 CarbonylContact O-C 3.59Å; R355-H358 PolarHBondContact O-N 3.19Å; H358-F361 HydrophobicContact CB-CE2 3.64Å; H358-F361 HydrophobicContact CB-CZ 3.57Å; H358-F361 AromaticContact CG-CZ 3.76Å; H358-I385 VanDerWaalsContact O-CG1 3.26Å; H358-I385 WeakPolarHBondContact O-CG1 3.41Å
359Q85.5Confident89.3Confident116 Ų11650 Ų5054%0.54224%0.244SC..SBendtrans-75.2-27.6177.7-65.3178.7-6.900112.9R355 I385R355-Q359 HydrophobicContact CG-CG 4.34Å; R355-Q359 WeakPolarHBondContact O-CG 3.31Å; R355-Q359 PolarHBondContact O-N 3.4Å; Q359-I385 PolarHBondContact O-N 3.2Å
360K90.2Very high89Confident106 Ų10654.2 Ų54.246%0.46127%0.266SS..EExtended strand (participates in β ladder)trans-157.8156-177.865.7179.9-169.4135.30112.6D362 I383K360-D362 IonicContact NZ-OD2 3.21Å; K360-D362 PolarHBondContact NZ-OD2 3.15Å; K360-I383 CarbonylContact C-O 3.46Å; K360-I383 WeakPolarHBondContact CA-O 3.18Å
361F94.1Very high88.7Confident0 Ų054 Ų540%027%0.265CS..EExtended strand (participates in β ladder)trans-123.2126.1169.7-62.3-103.7000110T330 P331 F337 F338 V353 H358 L363 I383 I385T330-F361 WeakPolarHBondContact O-CA 3.26Å; P331-F361 VanDerWaalsContact CD-CD1 3.5Å; P331-F361 HydrophobicContact CG-CD1 3.91Å; P331-F361 HydrophobicContact CG-CE1 3.57Å; P331-F361 HydrophobicContact CG-CZ 4.3Å; F337-F361 AromaticContact CD2-CE1 3.73Å; F337-F361 HydrophobicContact CD2-CE1 3.73Å; F337-F361 AromaticContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CE2-CE1 4.26Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.47Å; F337-F361 HydrophobicContact CG-CZ 4.21Å; F338-F361 HydrophobicContact CD2-CD1 4.09Å; F338-F361 HydrophobicContact CD2-CE1 4.38Å; F338-F361 HydrophobicContact CD2-CG 4.21Å; F338-F361 HydrophobicContact CE2-CB 4.2Å; F338-F361 AromaticContact CE2-CD1 3.69Å; F338-F361 HydrophobicContact CE2-CD1 3.69Å; F338-F361 AromaticContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CD2 3.49Å; F338-F361 VanDerWaalsContact CE2-CD2 3.49Å; F338-F361 AromaticContact CE2-CE1 3.89Å; F338-F361 HydrophobicContact CE2-CE1 3.89Å; F338-F361 AromaticContact CE2-CE2 3.7Å; F338-F361 HydrophobicContact CE2-CE2 3.7Å; F338-F361 AromaticContact CE2-CG 3.51Å; F338-F361 HydrophobicContact CE2-CG 3.51Å; F338-F361 AromaticContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CZ-CD2 4.01Å; F338-F361 HydrophobicContact CZ-CE2 4.22Å; F338-F361 HydrophobicContact CZ-CG 4.38Å; V353-F361 HydrophobicContact CG1-CE2 3.91Å; V353-F361 HydrophobicContact CG1-CZ 4.33Å; V353-F361 HydrophobicContact CG2-CE2 4.29Å; V353-F361 HydrophobicContact CG2-CZ 4.47Å; H358-F361 HydrophobicContact CB-CE2 3.64Å; H358-F361 HydrophobicContact CB-CZ 3.57Å; H358-F361 AromaticContact CG-CZ 3.76Å; F361-L363 HydrophobicContact CB-CD2 4.26Å; F361-L363 HydrophobicContact CB-CG 4.34Å; F361-I383 HydrophobicContact CB-CB 4.12Å; F361-I383 HydrophobicContact CB-CD1 4.38Å; F361-I383 HydrophobicContact CB-CG1 4.49Å; F361-I383 PolarHBondContact N-O 2.91Å; F361-I383 PolarHBondContact O-N 2.85Å; F361-I385 HydrophobicContact CD2-CD1 4.37Å; F361-I385 HydrophobicContact CD2-CG1 4.42Å; F361-I385 HydrophobicContact CE2-CD1 4.29Å; F361-I385 HydrophobicContact CE2-CG1 4.25Å
362D93Very high88.1Confident56 Ų5653 Ų5330%0.29928%0.278SS..EExtended strand (participates in β ladder)trans-108.8104175-77.4-57.2000107.8G329 T330 K360 H382G329-D362 CarbonylContact C-O 3.52Å; G329-D362 VanDerWaalsContact CA-O 3.23Å; G329-D362 WeakPolarHBondContact CA-O 3.32Å; T330-D362 PolarHBondContact N-O 3.3Å; T330-D362 PolarHBondContact O-N 2.83Å; T330-D362 WeakPolarHBondContact OG1-CB 3.3Å; K360-D362 IonicContact NZ-OD2 3.21Å; K360-D362 PolarHBondContact NZ-OD2 3.15Å; D362-H382 IonicContact OD1-CE1 3.04Å; D362-H382 PolarHBondContact OD1-CE1 2.63Å; D362-H382 IonicContact OD1-CG 3.95Å; D362-H382 IonicContact OD1-ND1 3.86Å; D362-H382 PolarHBondContact OD1-ND1 3.28Å
363L94.2Very high87.9Confident2 Ų251.6 Ų51.61%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-109.8150.4-175-51.3-177.2000110.9I326 Y334 F361 S380 L381 I383I326-L363 HydrophobicContact CD1-CD1 4.24Å; I326-L363 HydrophobicContact CG2-CB 4.13Å; I326-L363 HydrophobicContact CG2-CD1 4.45Å; Y334-L363 HydrophobicContact CD1-CD2 4.08Å; Y334-L363 HydrophobicContact CD2-CD2 3.82Å; Y334-L363 HydrophobicContact CG-CD2 3.58Å; F361-L363 HydrophobicContact CB-CD2 4.26Å; F361-L363 HydrophobicContact CB-CG 4.34Å; L363-S380 CarbonylContact O-C 3.56Å; L363-S380 WeakPolarHBondContact O-CA 3.23Å; L363-L381 HydrophobicContact CB-CB 4.21Å; L363-L381 HydrophobicContact CD1-CD2 4.14Å; L363-L381 PolarHBondContact N-O 2.81Å; L363-L381 PolarHBondContact O-N 3.07Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.5Å
364V92Very high87.6Confident44 Ų4456.6 Ų56.627%0.26730%0.299SS..EExtended strand (participates in β ladder)trans-114.8116.1171.5-178.40000108.1L327 V328 A379L327-V364 WeakPolarHBondContact CB-O 3.27Å; L327-V364 PolarHBondContact N-O 2.71Å; V328-V364 HydrophobicContact CG2-CB 3.94Å; V328-V364 HydrophobicContact CG2-CG2 4Å; V328-V364 PolarHBondContact O-N 2.87Å; V364-A379 CarbonylContact C-O 3.57Å; V364-A379 WeakPolarHBondContact CA-O 3.42Å
365I93.4Very high87.6Confident0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-96.1146.7177.961.2172.5000110.6F265 Y282 I304 S325 I326 M340 F378 A379 L381F265-I365 HydrophobicContact CE1-CD1 3.93Å; F265-I365 HydrophobicContact CE1-CG1 4.45Å; F265-I365 HydrophobicContact CZ-CD1 4.04Å; F265-I365 HydrophobicContact CZ-CG1 4.05Å; Y282-I365 HydrophobicContact CD2-CD1 3.68Å; Y282-I365 HydrophobicContact CE2-CD1 3.76Å; I304-I365 HydrophobicContact CD1-CD1 3.98Å; I304-I365 HydrophobicContact CG1-CD1 4.23Å; I304-I365 HydrophobicContact CG2-CD1 3.67Å; S325-I365 CarbonylContact O-C 3.43Å; S325-I365 WeakPolarHBondContact O-CA 3.27Å; I326-I365 HydrophobicContact CG1-CG2 4.33Å; M340-I365 HydrophobicContact CE-CB 4.17Å; M340-I365 HydrophobicContact CE-CG2 3.92Å; M340-I365 HydrophobicContact SD-CG2 4.05Å; I365-F378 WeakPolarHBondContact O-CA 3.46Å; I365-A379 HydrophobicContact CD1-CB 4.17Å; I365-A379 HydrophobicContact CG1-CB 3.86Å; I365-A379 WeakPolarHBondContact CG1-O 3.44Å; I365-A379 PolarHBondContact N-O 3.3Å; I365-A379 PolarHBondContact O-N 3.49Å; I365-L381 HydrophobicContact CG2-CB 4.31Å; I365-L381 HydrophobicContact CG2-CD2 4.35Å
366K92.3Very high87.9Confident42 Ų4258.8 Ų58.818%0.18332%0.316CS..EExtended strand (participates in β ladder)trans-122134.3-179.4-177.6-171.2-176.7-159.60109.6Y324 S325 L327 E368 P376 A377 F378Y324-K366 WeakPolarHBondContact CA-O 3.48Å; S325-K366 PolarHBondContact N-O 3.27Å; S325-K366 PolarHBondContact O-N 3.17Å; L327-K366 HydrophobicContact CB-CB 4.4Å; K366-E368 WeakPolarHBondContact CE-OE2 3.16Å; K366-E368 IonicContact NZ-OE2 3.99Å; K366-E368 PolarHBondContact NZ-OE2 2.83Å; K366-P376 HydrophobicContact CD-CB 4.47Å; K366-P376 VanDerWaalsContact CE-CB 3.41Å; K366-P376 HydrophobicContact CG-CB 4.22Å; K366-A377 CarbonylContact C-O 3.44Å; K366-A377 WeakPolarHBondContact CA-O 3.49Å; K366-F378 HydrophobicContact CB-CD1 4.04Å; K366-F378 HydrophobicContact CB-CE1 4.09Å; K366-F378 HydrophobicContact CD-CE1 3.95Å; K366-F378 HydrophobicContact CG-CD1 4Å; K366-F378 HydrophobicContact CG-CE1 3.66Å
367A91.5Very high88.4Confident0 Ų055.4 Ų55.40%030%0.301CS..EExtended strand (participates in β ladder)trans-111.5130166.400000109.4P263 F265 A306 I322 L323 Y324 P376 A377P263-A367 HydrophobicContact CB-CB 4.44Å; P263-A367 HydrophobicContact CG-CB 4.24Å; P263-A367 WeakPolarHBondContact CG-O 3.32Å; F265-A367 HydrophobicContact CE1-CB 3.99Å; F265-A367 HydrophobicContact CE2-CB 3.8Å; F265-A367 HydrophobicContact CZ-CB 3.46Å; F265-A367 VanDerWaalsContact CZ-CB 3.46Å; A306-A367 HydrophobicContact CB-CB 4Å; I322-A367 HydrophobicContact CG2-CB 3.97Å; L323-A367 WeakPolarHBondContact O-CA 3.24Å; Y324-A367 HydrophobicContact CD1-CB 4.28Å; Y324-A367 HydrophobicContact CE1-CB 4.31Å; A367-P376 WeakPolarHBondContact O-CA 3.39Å; A367-A377 PolarHBondContact N-O 2.95Å; A367-A377 PolarHBondContact O-N 2.79Å
368E91.4Very high88.8Confident67 Ų6753 Ų5331%0.31329%0.29SS..EExtended strand (participates in β ladder)trans-136.2152.9176.966.8-173.6179.300111I322 L323 K366 P376I322-E368 CarbonylContact C-O 3.58Å; I322-E368 WeakPolarHBondContact CA-O 3.45Å; L323-E368 HydrophobicContact CB-CG 4.05Å; L323-E368 PolarHBondContact N-O 3.36Å; L323-E368 PolarHBondContact O-N 3.49Å; K366-E368 WeakPolarHBondContact CE-OE2 3.16Å; K366-E368 IonicContact NZ-OE2 3.99Å; K366-E368 PolarHBondContact NZ-OE2 2.83Å; E368-P376 HydrophobicContact CB-CB 4.38Å
369Q91.2Very high89Confident4 Ų451.5 Ų51.52%0.01928%0.284CS..EExtended strand (participates in β ladder)trans-79.3141.9174.9-73.5157.9-67.500110.5D259 L261 P263 P320 G321 N371 G372 H373D259-Q369 PolarHBondContact OD1-NE2 3.05Å; L261-Q369 PolarHBondContact O-NE2 2.91Å; L261-Q369 PolarHBondContact O-OE1 2.59Å; P263-Q369 HydrophobicContact CG-CG 4.45Å; P320-Q369 HydrophobicContact CB-CB 3.91Å; P320-Q369 HydrophobicContact CB-CG 4Å; P320-Q369 HydrophobicContact CG-CB 4.36Å; P320-Q369 HydrophobicContact CG-CG 3.97Å; G321-Q369 CarbonylContact O-C 3.56Å; G321-Q369 WeakPolarHBondContact O-CA 3.15Å; Q369-N371 VanDerWaalsContact C-N 3.27Å; Q369-N371 VanDerWaalsContact CB-OD1 3.31Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.2Å; Q369-N371 PolarHBondContact O-N 3.14Å; Q369-G372 PolarHBondContact O-N 3.24Å; Q369-H373 HydrophobicContact CB-CB 3.96Å; Q369-H373 HydrophobicContact CG-CB 4.47Å; Q369-H373 PolarHBondContact OE1-ND1 2.87Å
370D87.3Confident89.2Confident92 Ų9248.7 Ų48.749%0.49228%0.277SS..THydrogen-bonded Turntrans-72-17.4-175.665.1-5.3000114.5P320 G321 L323 G372P320-D370 WeakPolarHBondContact CA-OD1 3.21Å; G321-D370 WeakPolarHBondContact CA-OD2 3.19Å; G321-D370 PolarHBondContact N-OD1 3.04Å; G321-D370 PolarHBondContact N-OD2 2.96Å; G321-D370 PolarHBondContact O-N 3.08Å; L323-D370 HydrophobicContact CD1-CB 4.02Å; L323-D370 HydrophobicContact CG-CB 4.15Å; D370-G372 PolarHBondContact O-N 2.94Å
371N85.2Confident89.4Confident81 Ų8143.7 Ų43.743%0.43326%0.255SS..THydrogen-bonded Turntrans-78.8-3.217370.6-6.2000113.5D259 P320 Q369 H373D259-N371 PolarHBondContact OD2-ND2 2.73Å; P320-N371 HydrophobicContact CB-CB 4.35Å; Q369-N371 VanDerWaalsContact C-N 3.27Å; Q369-N371 VanDerWaalsContact CB-OD1 3.31Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.2Å; Q369-N371 PolarHBondContact O-N 3.14Å; N371-H373 WeakPolarHBondContact OD1-CB 3.33Å; N371-H373 PolarHBondContact OD1-N 3.16Å; N371-H373 VanDerWaalsContact OD1-N 3.09Å
372G78.1Confident89.4Confident63 Ų6345.9 Ų45.965%0.64927%0.265SS*.  trans81.824.3178.200000114.7Q369 D370Q369-G372 PolarHBondContact O-N 3.24Å; D370-G372 PolarHBondContact O-N 2.94Å
373H83.6Confident89.4Confident31 Ų3143.2 Ų43.214%0.14425%0.251CS..  trans-54137.2173.6-168.4-108.4000111.5D259 L261 Q369 N371 L375D259-H373 IonicContact OD1-CD2 3.28Å; D259-H373 IonicContact OD2-CD2 2.75Å; D259-H373 PolarHBondContact OD2-CD2 2.8Å; D259-H373 IonicContact OD2-CG 2.63Å; L261-H373 VanDerWaalsContact C-CE1 3.47Å; L261-H373 PolarHBondContact O-CE1 2.81Å; L261-H373 PolarHBondContact O-ND1 3.21Å; Q369-H373 HydrophobicContact CB-CB 3.96Å; Q369-H373 HydrophobicContact CG-CB 4.47Å; Q369-H373 PolarHBondContact OE1-ND1 2.87Å; N371-H373 WeakPolarHBondContact OD1-CB 3.33Å; N371-H373 PolarHBondContact OD1-N 3.16Å; N371-H373 VanDerWaalsContact OD1-N 3.09Å; H373-L375 VanDerWaalsContact C-N 3.25Å; H373-L375 PolarHBondContact O-N 2.87Å
374P83.1Confident89.3Confident108 Ų10848.1 Ų48.170%0.70127%0.274SS*.SBendtrans-76.4-3.6-167.630-36.8000115.1P376P374-P376 WeakPolarHBondContact O-CD 3.42Å
375L85.8Confident89.2Confident95 Ų9546.3 Ų46.350%0.49726%0.263SS..  trans-107.988.7-174.9-61.8-179.1000111.5P263 H373P263-L375 WeakPolarHBondContact CD-O 3.3Å; H373-L375 VanDerWaalsContact C-N 3.25Å; H373-L375 PolarHBondContact O-N 2.87Å
376P89.4Confident88.7Confident48 Ų4849.8 Ų49.831%0.31228%0.281SS..  trans-82.5158.3172.933.7-35.9000112.5K366 A367 E368 P374 F378K366-P376 HydrophobicContact CD-CB 4.47Å; K366-P376 VanDerWaalsContact CE-CB 3.41Å; K366-P376 HydrophobicContact CG-CB 4.22Å; A367-P376 WeakPolarHBondContact O-CA 3.39Å; E368-P376 HydrophobicContact CB-CB 4.38Å; P374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F378 HydrophobicContact CB-CZ 4.24Å; P376-F378 HydrophobicContact CG-CE2 4.04Å; P376-F378 HydrophobicContact CG-CZ 3.76Å
377A88Confident88.1Confident18 Ų1850.5 Ų50.515%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-108151.3170.900000112P263 F265 K366 A367P263-A377 HydrophobicContact CG-CB 4.48Å; P263-A377 VanDerWaalsContact O-CB 3.26Å; P263-A377 WeakPolarHBondContact O-CB 3.43Å; F265-A377 HydrophobicContact CD2-CB 3.91Å; F265-A377 HydrophobicContact CE2-CB 4.01Å; K366-A377 CarbonylContact C-O 3.44Å; K366-A377 WeakPolarHBondContact CA-O 3.49Å; A367-A377 PolarHBondContact N-O 2.95Å; A367-A377 PolarHBondContact O-N 2.79Å
378F89.8Confident87.6Confident105 Ų10554.2 Ų54.246%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-128.8144.8-179.7-53.8-79.5000111.3L327 I365 K366 P376L327-F378 HydrophobicContact CD2-CD1 4.08Å; L327-F378 HydrophobicContact CD2-CE1 3.8Å; I365-F378 WeakPolarHBondContact O-CA 3.46Å; K366-F378 HydrophobicContact CB-CD1 4.04Å; K366-F378 HydrophobicContact CB-CE1 4.09Å; K366-F378 HydrophobicContact CD-CE1 3.95Å; K366-F378 HydrophobicContact CG-CD1 4Å; K366-F378 HydrophobicContact CG-CE1 3.66Å; P376-F378 HydrophobicContact CB-CZ 4.24Å; P376-F378 HydrophobicContact CG-CE2 4.04Å; P376-F378 HydrophobicContact CG-CZ 3.76Å
379A90.3Very high87Confident4 Ų454 Ų543%0.03331%0.305CS..EExtended strand (participates in β ladder)trans-143.3159171.800000110.8F265 Y282 V364 I365F265-A379 HydrophobicContact CD2-CB 3.81Å; F265-A379 HydrophobicContact CE2-CB 3.93Å; F265-A379 HydrophobicContact CG-CB 4.19Å; F265-A379 HydrophobicContact CZ-CB 4.41Å; Y282-A379 HydrophobicContact CD2-CB 3.9Å; Y282-A379 HydrophobicContact CE2-CB 3.59Å; V364-A379 CarbonylContact C-O 3.57Å; V364-A379 WeakPolarHBondContact CA-O 3.42Å; I365-A379 HydrophobicContact CD1-CB 4.17Å; I365-A379 HydrophobicContact CG1-CB 3.86Å; I365-A379 WeakPolarHBondContact CG1-O 3.44Å; I365-A379 PolarHBondContact N-O 3.3Å; I365-A379 PolarHBondContact O-N 3.49Å
380S90.3Very high86.4Confident56 Ų5656.2 Ų56.239%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-97.2141.2176.8-61.50000110.1L280 T281 Y282 L363L280-S380 PolarHBondContact O-N 3.14Å; L280-S380 VanDerWaalsContact O-N 3.1Å; T281-S380 CarbonylContact C-O 3.51Å; T281-S380 VanDerWaalsContact CA-O 3.31Å; T281-S380 WeakPolarHBondContact CA-O 3.37Å; Y282-S380 PolarHBondContact N-O 2.98Å; L363-S380 CarbonylContact O-C 3.56Å; L363-S380 WeakPolarHBondContact O-CA 3.23Å
381L93.5Very high86.1Confident1 Ų154.6 Ų54.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-123.9114.6175169.164.2000108.4Y282 V300 I304 L347 L363 I365 I383Y282-L381 CarbonylContact O-C 3.57Å; Y282-L381 WeakPolarHBondContact O-CA 3.13Å; V300-L381 HydrophobicContact CG1-CD1 3.76Å; V300-L381 HydrophobicContact CG2-CD1 4.36Å; I304-L381 HydrophobicContact CD1-CD2 4.43Å; L347-L381 HydrophobicContact CD1-CD2 4.31Å; L347-L381 HydrophobicContact CD2-CD2 3.93Å; L363-L381 HydrophobicContact CB-CB 4.21Å; L363-L381 HydrophobicContact CD1-CD2 4.14Å; L363-L381 PolarHBondContact N-O 2.81Å; L363-L381 PolarHBondContact O-N 3.07Å; I365-L381 HydrophobicContact CG2-CB 4.31Å; I365-L381 HydrophobicContact CG2-CD2 4.35Å; L381-I383 HydrophobicContact CD1-CG1 4.39Å; L381-I383 HydrophobicContact CD2-CD1 4.32Å; L381-I383 HydrophobicContact CD2-CG1 4.47Å; L381-I383 HydrophobicContact CG-CD1 4.46Å; L381-I383 HydrophobicContact CG-CG1 4.09Å
382H93.7Very high86.2Confident46 Ų4653.6 Ų53.621%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-100.8121.5177.5-171.573.7000109.6T281 Y282 Q283 A284 D362T281-H382 HydrophobicContact CG2-CB 4.46Å; Y282-H382 PolarHBondContact O-N 3.32Å; Q283-H382 CarbonylContact C-O 3.56Å; Q283-H382 VanDerWaalsContact CA-O 3.29Å; Q283-H382 WeakPolarHBondContact CA-O 3.49Å; Q283-H382 HydrophobicContact CG-CB 4.43Å; A284-H382 PolarHBondContact N-O 3.37Å; D362-H382 IonicContact OD1-CE1 3.04Å; D362-H382 PolarHBondContact OD1-CE1 2.63Å; D362-H382 IonicContact OD1-CG 3.95Å; D362-H382 IonicContact OD1-ND1 3.86Å; D362-H382 PolarHBondContact OD1-ND1 3.28Å
383I93.7Very high86.9Confident0 Ų050.7 Ų50.70%028%0.275CS..EExtended strand (participates in β ladder)trans-114.3117.2177.3-48.3176.5000107.6A284 I286 F338 L347 K360 F361 L363 L381 I385A284-I383 HydrophobicContact CB-CG1 4.39Å; A284-I383 HydrophobicContact CB-CG2 4.37Å; A284-I383 CarbonylContact O-C 3.53Å; A284-I383 VanDerWaalsContact O-CA 3.31Å; A284-I383 WeakPolarHBondContact O-CA 3.15Å; I286-I383 HydrophobicContact CD1-CG2 3.62Å; I286-I383 HydrophobicContact CG1-CG2 4.07Å; F338-I383 HydrophobicContact CD1-CD1 3.93Å; F338-I383 HydrophobicContact CD2-CD1 4.14Å; F338-I383 HydrophobicContact CE1-CD1 3.82Å; F338-I383 HydrophobicContact CE1-CG2 4.35Å; F338-I383 HydrophobicContact CE2-CD1 4.05Å; F338-I383 HydrophobicContact CG-CD1 4.09Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.06Å; L347-I383 HydrophobicContact CD2-CD1 3.89Å; K360-I383 CarbonylContact C-O 3.46Å; K360-I383 WeakPolarHBondContact CA-O 3.18Å; F361-I383 HydrophobicContact CB-CB 4.12Å; F361-I383 HydrophobicContact CB-CD1 4.38Å; F361-I383 HydrophobicContact CB-CG1 4.49Å; F361-I383 PolarHBondContact N-O 2.91Å; F361-I383 PolarHBondContact O-N 2.85Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.5Å; L381-I383 HydrophobicContact CD1-CG1 4.39Å; L381-I383 HydrophobicContact CD2-CD1 4.32Å; L381-I383 HydrophobicContact CD2-CG1 4.47Å; L381-I383 HydrophobicContact CG-CD1 4.46Å; L381-I383 HydrophobicContact CG-CG1 4.09Å; I383-I385 HydrophobicContact CG2-CD1 4.35Å
384E91.1Very high87.2Confident106 Ų10653.3 Ų53.350%0.49529%0.285SS..EExtended strand (participates in β ladder)trans-98.3134.6175.3-175171.7-160.200109.8A284 A285 I286 L386A284-E384 PolarHBondContact O-N 2.84Å; A285-E384 WeakPolarHBondContact CA-O 3.49Å; I286-E384 PolarHBondContact N-O 3.19Å; E384-L386 HydrophobicContact CG-CD2 4.47Å
385I89.9Confident87.6Confident5 Ų549.1 Ų49.13%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-96114.1174.9-52.4-57.3000108.2I286 E288 V353 R355 H358 Q359 F361 I383I286-I385 HydrophobicContact CB-CD1 4.11Å; I286-I385 CarbonylContact O-C 3.58Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.38Å; E288-I385 HydrophobicContact CB-CG2 3.83Å; V353-I385 HydrophobicContact CB-CD1 4.16Å; V353-I385 HydrophobicContact CG1-CD1 3.88Å; V353-I385 HydrophobicContact CG1-CG1 3.8Å; V353-I385 HydrophobicContact CG1-CG2 4.27Å; V353-I385 HydrophobicContact CG2-CD1 4.47Å; R355-I385 HydrophobicContact CB-CG2 3.97Å; R355-I385 HydrophobicContact CG-CG2 4.38Å; H358-I385 VanDerWaalsContact O-CG1 3.26Å; H358-I385 WeakPolarHBondContact O-CG1 3.41Å; Q359-I385 PolarHBondContact O-N 3.2Å; F361-I385 HydrophobicContact CD2-CD1 4.37Å; F361-I385 HydrophobicContact CD2-CG1 4.42Å; F361-I385 HydrophobicContact CE2-CD1 4.29Å; F361-I385 HydrophobicContact CE2-CG1 4.25Å; I383-I385 HydrophobicContact CG2-CD1 4.35Å
386L84.2Confident87.8Confident73 Ų7347.9 Ų47.938%0.38225%0.252SS..EExtended strand (participates in β ladder)trans-76.4138-178.8-56.2177.2000109.9A285 I286 E288 E384A285-L386 HydrophobicContact CB-CD1 4.03Å; A285-L386 HydrophobicContact CB-CD2 4.2Å; A285-L386 HydrophobicContact CB-CG 4.11Å; I286-L386 PolarHBondContact O-N 2.78Å; E288-L386 PolarHBondContact N-O 2.98Å; E288-L386 VanDerWaalsContact N-O 3.11Å; E384-L386 HydrophobicContact CG-CD2 4.47Å
387D79.8Confident87.9Confident57 Ų5750.4 Ų50.431%0.30526%0.261SS..  trans-72.2134.6176.2-164.436.6000111.5R355R355-D387 VanDerWaalsContact CD-CA 3.47Å; R355-D387 WeakPolarHBondContact CD-OD1 3.25Å; R355-D387 IonicContact CZ-OD1 3.87Å; R355-D387 VanDerWaalsContact CZ-OD1 3.24Å; R355-D387 IonicContact CZ-OD2 2.63Å; R355-D387 IonicContact NE-OD1 3.07Å; R355-D387 IonicContact NH1-OD1 3.52Å; R355-D387 PolarHBondContact NH1-OD1 3.29Å; R355-D387 IonicContact NH1-OD2 3.21Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 IonicContact NH2-OD2 3.89Å
388E80.3Confident87.9Confident78 Ų7854.8 Ų54.836%0.36429%0.288SS..  trans-114.4129170.4-69.2-76.215100107.3P287 E288 N390P287-E388 HydrophobicContact CB-CG 4.37Å; E288-E388 HydrophobicContact CG-CB 4.02Å; E288-E388 HydrophobicContact CG-CG 4.04Å; E288-E388 PolarHBondContact OE1-N 3.23Å; E388-N390 VanDerWaalsContact C-N 3.26Å; E388-N390 PolarHBondContact O-N 2.87Å; E388-N390 PolarHBondContact O-ND2 2.86Å
389N78.2Confident88.1Confident64 Ų6452.9 Ų52.934%0.34229%0.287SS..SBendtrans-66.983.2-178.8178.5-2.6000110.4D432 D485 V487N389-D432 WeakPolarHBondContact CA-OD2 3.46Å; N389-D432 PolarHBondContact OD1-OD2 2.76Å; N389-D485 PolarHBondContact ND2-OD1 3.4Å; N389-D485 VanDerWaalsContact ND2-OD1 3.15Å; N389-V487 WeakPolarHBondContact ND2-CG2 3.32Å
390N78.5Confident88.2Confident50 Ų5053.2 Ų53.227%0.26729%0.288SS..  trans-126.5-4.1-169.97440.6000112.9E288 E388 D432 Q488E288-N390 PolarHBondContact OE1-ND2 2.76Å; E388-N390 VanDerWaalsContact C-N 3.26Å; E388-N390 PolarHBondContact O-N 2.87Å; E388-N390 PolarHBondContact O-ND2 2.86Å; N390-D432 PolarHBondContact N-OD2 3.1Å; N390-Q488 PolarHBondContact O-NE2 3.24Å
391Q82.4Confident88.4Confident58 Ų5854.1 Ų54.127%0.27129%0.286SS..SBendtrans-100138.6171-59.1-60.7-6200110.5K431 D432 Q488Q391-K431 HydrophobicContact CB-CB 3.85Å; Q391-K431 HydrophobicContact CG-CB 3.85Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.42Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.47Å; Q391-D432 PolarHBondContact N-OD1 3.15Å; Q391-D432 VanDerWaalsContact N-OD1 3.14Å; Q391-D432 PolarHBondContact N-OD2 3.15Å; Q391-D432 VanDerWaalsContact N-OD2 3.08Å; Q391-Q488 PolarHBondContact O-NE2 2.92Å
392S87.3Confident88.4Confident59 Ų5954 Ų5441%0.41329%0.285SS..PPolyproline II helixtrans-86149178.758.70000111.6
393P91.2Very high88.4Confident2 Ų253.7 Ų53.71%0.01328%0.283CS..PPolyproline II helixtrans-67.9151.7-179.6-16.331.7000110.3L429 L441 A483 D485 S490P393-L429 CarbonylContact C-O 3.52Å; P393-L429 WeakPolarHBondContact CA-O 3.29Å; P393-L441 HydrophobicContact CB-CD1 3.85Å; P393-L441 HydrophobicContact CB-CD2 3.8Å; P393-L441 HydrophobicContact CB-CG 4.48Å; P393-L441 HydrophobicContact CG-CD2 3.59Å; P393-A483 HydrophobicContact CB-CB 4.16Å; P393-D485 WeakPolarHBondContact CD-OD2 3.48Å; P393-D485 HydrophobicContact CG-CB 3.88Å; P393-D485 VanDerWaalsContact CG-OD2 3.24Å; P393-D485 WeakPolarHBondContact CG-OD2 3.22Å; P393-S490 WeakPolarHBondContact O-CA 3.34Å; P393-S490 WeakPolarHBondContact O-CB 3.18Å
394Y90.2Very high88.4Confident87 Ų8754 Ų5434%0.34128%0.284SS..EExtended strand (participates in β ladder)trans-142.2146.6178.469.8-81.2000112.5A428 L429 K431Y394-A428 WeakPolarHBondContact O-CA 3.37Å; Y394-L429 WeakPolarHBondContact CD1-O 3.34Å; Y394-L429 HydrophobicContact CE1-CB 4.04Å; Y394-L429 PolarHBondContact N-O 3.12Å; Y394-L429 PolarHBondContact O-N 3.16Å; Y394-K431 HydrophobicContact CE1-CG 3.99Å
395F93Very high88.4Confident20 Ų2051.5 Ų51.59%0.08827%0.274CS..EExtended strand (participates in β ladder)trans-83.9141.8173.5-68.1-80000111M397 Y400 I426 A428 L443 I481 A483 S490 V493F395-M397 PolarHBondContact O-N 2.81Å; F395-Y400 HydrophobicContact CB-CE2 4.47Å; F395-Y400 HydrophobicContact CD1-CE2 4.11Å; F395-Y400 HydrophobicContact CG-CE2 4.49Å; F395-I426 HydrophobicContact CD1-CG2 4.06Å; F395-I426 HydrophobicContact CE1-CG2 3.84Å; F395-A428 HydrophobicContact CD1-CB 3.82Å; F395-A428 HydrophobicContact CE1-CB 3.77Å; F395-A428 HydrophobicContact CZ-CB 4.43Å; F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4.34Å; F395-I481 HydrophobicContact CE1-CG2 4.32Å; F395-I481 HydrophobicContact CZ-CB 4.44Å; F395-I481 HydrophobicContact CZ-CG2 3.82Å; F395-A483 HydrophobicContact CE2-CB 4.17Å; F395-A483 HydrophobicContact CZ-CB 3.83Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.2Å; F395-V493 HydrophobicContact CB-CG2 3.87Å; F395-V493 HydrophobicContact CD2-CB 3.99Å; F395-V493 HydrophobicContact CD2-CG2 3.53Å; F395-V493 HydrophobicContact CE2-CB 4.42Å; F395-V493 HydrophobicContact CE2-CG2 4.35Å; F395-V493 HydrophobicContact CG-CB 4.34Å; F395-V493 HydrophobicContact CG-CG2 3.91Å
396T88.6Confident88.6Confident68 Ų6851.9 Ų51.942%0.41728%0.275SS..SBendtrans-69.9-20.817854.70000113.9V427 L429T396-V427 HydrophobicContact CG2-CB 4.05Å; T396-V427 HydrophobicContact CG2-CG1 3.84Å; T396-V427 PolarHBondContact N-O 2.78Å; T396-V427 PolarHBondContact OG1-O 2.88Å; T396-L429 HydrophobicContact CG2-CD1 4.09Å; T396-L429 HydrophobicContact CG2-CG 4.39Å
397M90.9Very high88.8Confident102 Ų10252 Ų5250%0.50228%0.283SS..SBendtrans-124.3144.6-180-65.3-67.6-71.200110.8F395 S399 Y400F395-M397 PolarHBondContact O-N 2.81Å; M397-S399 VanDerWaalsContact C-N 3.33Å; M397-S399 PolarHBondContact O-N 2.99Å; M397-Y400 HydrophobicContact CB-CD1 4.35Å; M397-Y400 HydrophobicContact CB-CE1 3.78Å; M397-Y400 HydrophobicContact CB-CE2 4.34Å; M397-Y400 HydrophobicContact CG-CE1 4Å
398P89.4Confident89.3Confident109 Ų10950.1 Ų50.171%0.70828%0.275SS*.SBendtrans-76.8-18.5-178.731.4-36.5000113.9V493P398-V493 WeakPolarHBondContact O-CG1 3.31Å
399S92.5Very high89.8Confident65 Ų6551.1 Ų51.146%0.45529%0.288SS..EExtended strand (participates in β ladder)trans-159.7155.3173.560.90000110.1M397 V494M397-S399 VanDerWaalsContact C-N 3.33Å; M397-S399 PolarHBondContact O-N 2.99Å; S399-V494 CarbonylContact C-O 3.57Å; S399-V494 VanDerWaalsContact CA-O 3.26Å; S399-V494 WeakPolarHBondContact CA-O 3.45Å; S399-V494 WeakPolarHBondContact CB-O 3.26Å
400Y93.7Very high90.4Very high12 Ų1252.1 Ų52.15%0.04730%0.296CS..EExtended strand (participates in β ladder)trans-120.7136178.2-63.9-84.4000110.9F395 M397 L424 R425 I426 V427 V493 V494 V495 N496F395-Y400 HydrophobicContact CB-CE2 4.47Å; F395-Y400 HydrophobicContact CD1-CE2 4.11Å; F395-Y400 HydrophobicContact CG-CE2 4.49Å; M397-Y400 HydrophobicContact CB-CD1 4.35Å; M397-Y400 HydrophobicContact CB-CE1 3.78Å; M397-Y400 HydrophobicContact CB-CE2 4.34Å; M397-Y400 HydrophobicContact CG-CE1 4Å; Y400-L424 HydrophobicContact CD1-CD1 4.18Å; Y400-R425 WeakPolarHBondContact CE1-O 3.39Å; Y400-I426 HydrophobicContact CD1-CG1 4.21Å; Y400-I426 HydrophobicContact CD2-CG1 4.46Å; Y400-I426 HydrophobicContact CE1-CB 4.48Å; Y400-I426 HydrophobicContact CE1-CG1 4.27Å; Y400-I426 HydrophobicContact CE2-CG2 4.07Å; Y400-I426 HydrophobicContact CG-CG1 4.31Å; Y400-V427 PolarHBondContact OH-N 2.72Å; Y400-V427 PolarHBondContact OH-O 3.33Å; Y400-V493 HydrophobicContact CD2-CG1 3.68Å; Y400-V493 HydrophobicContact CE2-CG1 3.83Å; Y400-V494 PolarHBondContact N-O 2.82Å; Y400-V495 HydrophobicContact CD2-CG2 4.25Å; Y400-V495 WeakPolarHBondContact O-CA 3.17Å; Y400-N496 PolarHBondContact O-N 3.21Å
401Q93.5Very high90.9Very high74 Ų7452.1 Ų52.135%0.34631%0.308SS..EExtended strand (participates in β ladder)trans-115.5124.5177-177.266.445.700109.7Y403 N496Q401-Y403 HydrophobicContact CG-CE2 3.99Å; Q401-N496 CarbonylContact C-O 3.55Å; Q401-N496 WeakPolarHBondContact CA-O 3.39Å; Q401-N496 PolarHBondContact NE2-O 3.23Å; Q401-N496 VanDerWaalsContact NE2-O 3.12Å
402G93.7Very high91.2Very high0 Ų050.7 Ų50.70%031%0.306CS..EExtended strand (participates in β ladder)trans-120158179.900000113.4S415 N496 I497 R498G402-S415 CarbonylContact C-O 3.58Å; G402-S415 VanDerWaalsContact CA-O 3.28Å; G402-S415 WeakPolarHBondContact CA-O 3.3Å; G402-N496 PolarHBondContact N-O 3.11Å; G402-I497 WeakPolarHBondContact O-CA 3.48Å; G402-R498 PolarHBondContact O-N 2.96Å
403Y94.2Very high91.5Very high39 Ų3951.1 Ų51.115%0.15331%0.306CS..EExtended strand (participates in β ladder)trans-134.3138.7175-57.4-84.3000109.7Q401 S415 L418 R498Q401-Y403 HydrophobicContact CG-CE2 3.99Å; Y403-S415 PolarHBondContact N-O 2.98Å; Y403-S415 PolarHBondContact O-N 3.42Å; Y403-L418 HydrophobicContact CD1-CD2 3.95Å; Y403-L418 HydrophobicContact CD1-CG 4.18Å; Y403-L418 HydrophobicContact CE1-CD2 3.69Å; Y403-L418 HydrophobicContact CE1-CG 3.83Å; Y403-L418 HydrophobicContact CE2-CG 4.19Å; Y403-R498 WeakPolarHBondContact CA-O 3.33Å; Y403-R498 HydrophobicContact CD1-CB 3.94Å; Y403-R498 HydrophobicContact CE1-CB 4.12Å
404I93.8Very high91.6Very high5 Ų551 Ų513%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-139.5141.5174.3-162.8-178.7000109.5A408 I414 L465 V469 I497 R498 V499 M500I404-A408 HydrophobicContact CD1-CB 4.09Å; I404-A408 HydrophobicContact CG1-CB 3.93Å; I404-I414 HydrophobicContact CB-CD1 3.88Å; I404-I414 HydrophobicContact CD1-CD1 3.64Å; I404-I414 HydrophobicContact CG1-CD1 4.06Å; I404-I414 HydrophobicContact CG2-CD1 4.44Å; I404-L465 HydrophobicContact CD1-CB 3.95Å; I404-L465 HydrophobicContact CD1-CD1 3.67Å; I404-L465 HydrophobicContact CD1-CD2 3.72Å; I404-L465 HydrophobicContact CD1-CG 3.97Å; I404-V469 HydrophobicContact CG2-CG2 4.09Å; I404-I497 HydrophobicContact CG2-CG2 4.04Å; I404-R498 PolarHBondContact N-O 3.45Å; I404-R498 VanDerWaalsContact N-O 3.1Å; I404-V499 HydrophobicContact CG2-CG2 4.25Å; I404-V499 CarbonylContact O-C 3.52Å; I404-V499 WeakPolarHBondContact O-CA 3.28Å; I404-M500 PolarHBondContact O-N 2.9Å
405L91.9Very high91.7Very high55 Ų5547.5 Ų47.529%0.28829%0.294SS..EExtended strand (participates in β ladder)trans-77136.7170.5-163.667.4000109.1S407 A408 L420 M500L405-S407 VanDerWaalsContact C-N 3.26Å; L405-S407 WeakPolarHBondContact CD2-OG 3.42Å; L405-S407 PolarHBondContact O-N 2.74Å; L405-A408 HydrophobicContact CB-CB 4.48Å; L405-A408 WeakPolarHBondContact O-CB 3.37Å; L405-A408 PolarHBondContact O-N 2.88Å; L405-L420 HydrophobicContact CB-CD1 3.82Å; L405-L420 HydrophobicContact CD1-CD1 4.38Å; L405-M500 HydrophobicContact CD1-CB 3.97Å
406E92.5Very high91.5Very high12 Ų1250.6 Ų50.66%0.05631%0.309CS..THydrogen-bonded Turntrans-58-40177.1-174.1175.5-174.500112.8A408 V469 D470 R471 V499 M500E406-A408 PolarHBondContact O-N 3.16Å; E406-V469 VanDerWaalsContact CG-O 3.27Å; E406-V469 WeakPolarHBondContact CG-O 3.45Å; E406-D470 WeakPolarHBondContact OE1-CA 3.31Å; E406-R471 HydrophobicContact CG-CB 4.33Å; E406-R471 PolarHBondContact OE1-N 3.03Å; E406-R471 WeakPolarHBondContact OE2-CB 3.45Å; E406-V499 HydrophobicContact CB-CG1 3.81Å; E406-V499 HydrophobicContact CG-CG1 4.34Å; E406-M500 PolarHBondContact N-O 2.91Å
407S88.3Confident91.4Very high77 Ų7749.2 Ų49.254%0.53830%0.302SS..THydrogen-bonded Turntrans-73.710.4175.778.90000114L405L405-S407 VanDerWaalsContact C-N 3.26Å; L405-S407 WeakPolarHBondContact CD2-OG 3.42Å; L405-S407 PolarHBondContact O-N 2.74Å
408A90.3Very high91.1Very high16 Ų1648.8 Ų48.813%0.13230%0.301CS..PPolyproline II helixtrans-71.7133.8179.600000111.1I404 L405 E406 A412I404-A408 HydrophobicContact CD1-CB 4.09Å; I404-A408 HydrophobicContact CG1-CB 3.93Å; L405-A408 HydrophobicContact CB-CB 4.48Å; L405-A408 WeakPolarHBondContact O-CB 3.37Å; L405-A408 PolarHBondContact O-N 2.88Å; E406-A408 PolarHBondContact O-N 3.16Å; A408-A412 HydrophobicContact CB-CB 3.95Å
409P91.7Very high90.8Very high100 Ų10050 Ų5065%0.64930%0.301SS*.PPolyproline II helixtrans-71.3154.5176.530.4-35000111.6G411 A412P409-G411 PolarHBondContact O-N 2.83Å; P409-A412 VanDerWaalsContact O-CB 3.25Å; P409-A412 WeakPolarHBondContact O-CB 3.38Å; P409-A412 PolarHBondContact O-N 3.29Å
410V90.1Very high90.5Very high84 Ų8449.6 Ų49.651%0.50929%0.294SS..THydrogen-bonded Turntrans-53131.4169.3173.30000110L466V410-L466 WeakPolarHBondContact CG1-O 3.14Å; V410-L466 WeakPolarHBondContact CG2-O 3.45Å
411G88.9Confident90Very high51 Ų5154 Ų5453%0.52632%0.322SS..THydrogen-bonded Turntrans98.7-8.2-173.600000114.4P409 L465P409-G411 PolarHBondContact O-N 2.83Å; G411-L465 WeakPolarHBondContact CA-O 3.44Å; G411-L465 PolarHBondContact N-O 3.34Å
412A89.9Confident89.8Confident27 Ų2753.2 Ų53.222%0.22332%0.322CS..PPolyproline II helixtrans-62.8139.8174.700000112.1A408 P409 T464 L465A408-A412 HydrophobicContact CB-CB 3.95Å; P409-A412 VanDerWaalsContact O-CB 3.25Å; P409-A412 WeakPolarHBondContact O-CB 3.38Å; P409-A412 PolarHBondContact O-N 3.29Å; A412-T464 WeakPolarHBondContact O-CA 3.23Å; A412-L465 PolarHBondContact O-N 3.1Å
413T92.3Very high89.7Confident68 Ų6855.5 Ų55.542%0.41734%0.337SS..BIsolated β-bridgetrans-80.8135.317550.90000111.3S415 L463 T464T413-S415 PolarHBondContact O-N 3.07Å; T413-L463 WeakPolarHBondContact CA-O 3.37Å; T413-T464 HydrophobicContact CG2-CG2 3.86Å
414I93.6Very high89.7Confident1 Ų153.8 Ų53.81%0.00533%0.331CS..PPolyproline II helixtrans-63.3135.7173.1-53.5-57.4000109.4I404 P423 L424 F452 L463 I497I404-I414 HydrophobicContact CB-CD1 3.88Å; I404-I414 HydrophobicContact CD1-CD1 3.64Å; I404-I414 HydrophobicContact CG1-CD1 4.06Å; I404-I414 HydrophobicContact CG2-CD1 4.44Å; I414-P423 WeakPolarHBondContact O-CA 3.46Å; I414-L424 HydrophobicContact CG2-CB 4.48Å; I414-L424 HydrophobicContact CG2-CD2 4.23Å; I414-L424 WeakPolarHBondContact O-CB 3.21Å; I414-L424 PolarHBondContact O-N 3.23Å; I414-F452 HydrophobicContact CD1-CD1 3.98Å; I414-F452 HydrophobicContact CD1-CE1 3.72Å; I414-F452 HydrophobicContact CG1-CD1 4.37Å; I414-L463 HydrophobicContact CB-CB 4.09Å; I414-L463 HydrophobicContact CG1-CB 3.67Å; I414-L463 PolarHBondContact N-O 2.99Å; I414-I497 HydrophobicContact CD1-CD1 4.29Å; I414-I497 HydrophobicContact CD1-CG2 4.34Å; I414-I497 HydrophobicContact CG1-CD1 4.13Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.35Å; I414-I497 HydrophobicContact CG2-CG2 4.27Å
415S92.7Very high89.6Confident12 Ų1259.1 Ų59.18%0.08435%0.35CS..BIsolated β-bridgetrans-95.3144.5-177.7-66.80000112.1G402 Y403 T413 S417 T422G402-S415 CarbonylContact C-O 3.58Å; G402-S415 VanDerWaalsContact CA-O 3.28Å; G402-S415 WeakPolarHBondContact CA-O 3.3Å; Y403-S415 PolarHBondContact N-O 2.98Å; Y403-S415 PolarHBondContact O-N 3.42Å; T413-S415 PolarHBondContact O-N 3.07Å; S415-S417 VanDerWaalsContact C-N 3.34Å; S415-T422 CarbonylContact C-O 3.14Å; S415-T422 VanDerWaalsContact CA-O 3.26Å; S415-T422 WeakPolarHBondContact CA-O 3.48Å
416E90Very high89.6Confident86 Ų8656.5 Ų56.540%0.40234%0.337SS..SBendtrans-76.1-25.4173.5-167.9175.7-173.200111.9T422 L424 R425E416-T422 PolarHBondContact N-O 2.9Å; E416-L424 HydrophobicContact CB-CB 4.49Å; E416-L424 HydrophobicContact CB-CD1 4.25Å; E416-L424 HydrophobicContact CG-CD1 4.13Å; E416-R425 IonicContact OE2-CZ 3.4Å; E416-R425 IonicContact OE2-NH1 3.91Å; E416-R425 PolarHBondContact OE2-NH1 3.44Å; E416-R425 IonicContact OE2-NH2 3.09Å
417S86.6Confident89.6Confident38 Ų3857.1 Ų57.127%0.26634%0.342SS..SBendtrans-114.3146.2-172.6-174.90000112.5S415 N419 L420S415-S417 VanDerWaalsContact C-N 3.34Å; S417-N419 PolarHBondContact O-N 2.8Å; S417-N419 PolarHBondContact OG-N 2.8Å; S417-L420 PolarHBondContact O-N 2.92Å
418L83.8Confident89.6Confident94 Ų9453.7 Ų53.749%0.49232%0.318SS..THydrogen-bonded Turntrans-56.5-25.9171.8-79.3145.9000113.8Y403 L420 M500Y403-L418 HydrophobicContact CD1-CD2 3.95Å; Y403-L418 HydrophobicContact CD1-CG 4.18Å; Y403-L418 HydrophobicContact CE1-CD2 3.69Å; Y403-L418 HydrophobicContact CE1-CG 3.83Å; Y403-L418 HydrophobicContact CE2-CG 4.19Å; L418-L420 PolarHBondContact O-N 2.65Å; L418-M500 WeakPolarHBondContact O-CE 3.46Å
419N84Confident89.6Confident133 Ų13353.9 Ų53.971%0.71132%0.317SS*.THydrogen-bonded Turntrans-82.31.3176.6-63.9-25.3000112.8S417 T421S417-N419 PolarHBondContact O-N 2.8Å; S417-N419 PolarHBondContact OG-N 2.8Å; N419-T421 HydrophobicContact CB-CG2 4.03Å; N419-T421 PolarHBondContact O-N 2.91Å; N419-T421 VanDerWaalsContact O-N 3.17Å
420L84.4Confident89.4Confident57 Ų5749.5 Ų49.530%0.29829%0.287SS..SBendtrans56.129.2179.6-53.8175.5000114.4L405 S417 L418 M500L405-L420 HydrophobicContact CB-CD1 3.82Å; L405-L420 HydrophobicContact CD1-CD1 4.38Å; S417-L420 PolarHBondContact O-N 2.92Å; L418-L420 PolarHBondContact O-N 2.65Å; L420-M500 HydrophobicContact CD1-SD 4.05Å; L420-M500 HydrophobicContact CD2-SD 3.77Å; L420-M500 HydrophobicContact CG-SD 3.91Å
421T84.2Confident89.1Confident104 Ų10451.3 Ų51.364%0.63829%0.289SS*.  trans-91.7-26.7-174.252.20000114.6N419N419-T421 HydrophobicContact CB-CG2 4.03Å; N419-T421 PolarHBondContact O-N 2.91Å; N419-T421 VanDerWaalsContact O-N 3.17Å
422T89.6Confident88.8Confident58 Ų5849.3 Ų49.336%0.35627%0.266SS..SBendtrans-130.3131.8-171.3500000110.6S415 E416S415-T422 CarbonylContact C-O 3.14Å; S415-T422 VanDerWaalsContact CA-O 3.26Å; S415-T422 WeakPolarHBondContact CA-O 3.48Å; E416-T422 PolarHBondContact N-O 2.9Å
423P92Very high88.4Confident48 Ų4851.1 Ų51.131%0.31227%0.271SS..BIsolated β-bridgetrans-71.7146.1-179.831.2-35.6000111.1I414 R425 Y462I414-P423 WeakPolarHBondContact O-CA 3.46Å; P423-R425 PolarHBondContact O-N 2.89Å; P423-Y462 HydrophobicContact CB-CD1 3.88Å; P423-Y462 HydrophobicContact CB-CE1 4.05Å; P423-Y462 HydrophobicContact CG-CD1 4.21Å; P423-Y462 HydrophobicContact CG-CE1 3.85Å
424L92.9Very high87.7Confident3 Ų352.7 Ų52.72%0.01627%0.274CS..PPolyproline II helixtrans-67.3117.4174.5179.762000109.8Y400 I414 E416 Y462 L463Y400-L424 HydrophobicContact CD1-CD1 4.18Å; I414-L424 HydrophobicContact CG2-CB 4.48Å; I414-L424 HydrophobicContact CG2-CD2 4.23Å; I414-L424 WeakPolarHBondContact O-CB 3.21Å; I414-L424 PolarHBondContact O-N 3.23Å; E416-L424 HydrophobicContact CB-CB 4.49Å; E416-L424 HydrophobicContact CB-CD1 4.25Å; E416-L424 HydrophobicContact CG-CD1 4.13Å; L424-Y462 WeakPolarHBondContact O-CD1 3.41Å; L424-L463 HydrophobicContact CD2-CD1 4.28Å
425R92.3Very high87Confident117 Ų11757.1 Ų57.144%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-95.5116.9-179.7-66.5-170.6-49.9-60.4-6.5109.7Y400 E416 P423 T460 Y462Y400-R425 WeakPolarHBondContact CE1-O 3.39Å; E416-R425 IonicContact OE2-CZ 3.4Å; E416-R425 IonicContact OE2-NH1 3.91Å; E416-R425 PolarHBondContact OE2-NH1 3.44Å; E416-R425 IonicContact OE2-NH2 3.09Å; P423-R425 PolarHBondContact O-N 2.89Å; R425-T460 HydrophobicContact CB-CG2 3.56Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; R425-Y462 HydrophobicContact CG-CE1 3.91Å
426I92.6Very high86.4Confident0 Ų062 Ų620%033%0.327CS..EExtended strand (participates in β ladder)trans-103.6120.9172.6-60177000107.3F395 Y400 L443 R461 L463 I481F395-I426 HydrophobicContact CD1-CG2 4.06Å; F395-I426 HydrophobicContact CE1-CG2 3.84Å; Y400-I426 HydrophobicContact CD1-CG1 4.21Å; Y400-I426 HydrophobicContact CD2-CG1 4.46Å; Y400-I426 HydrophobicContact CE1-CB 4.48Å; Y400-I426 HydrophobicContact CE1-CG1 4.27Å; Y400-I426 HydrophobicContact CE2-CG2 4.07Å; Y400-I426 HydrophobicContact CG-CG1 4.31Å; I426-L443 HydrophobicContact CG2-CD2 4.04Å; I426-R461 HydrophobicContact CB-CB 4.18Å; I426-R461 PolarHBondContact N-O 3.26Å; I426-R461 WeakPolarHBondContact O-CB 3.36Å; I426-R461 PolarHBondContact O-N 3.12Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CD2 4.37Å; I426-L463 HydrophobicContact CD1-CG 3.69Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å
427V91.2Very high86Confident26 Ų2663.4 Ų63.416%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-123.5116.7-180-177.90000108.3T396 Y400 L429 I459 T460T396-V427 HydrophobicContact CG2-CB 4.05Å; T396-V427 HydrophobicContact CG2-CG1 3.84Å; T396-V427 PolarHBondContact N-O 2.78Å; T396-V427 PolarHBondContact OG1-O 2.88Å; Y400-V427 PolarHBondContact OH-N 2.72Å; Y400-V427 PolarHBondContact OH-O 3.33Å; V427-L429 HydrophobicContact CG1-CD2 4.07Å; V427-L429 HydrophobicContact CG1-CG 4.08Å; V427-I459 HydrophobicContact CG1-CG2 4.12Å; V427-T460 HydrophobicContact CG2-CG2 4.26Å
428A89.6Confident85.8Confident5 Ų563.7 Ų63.74%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-113.4132.3170.100000107.9Y394 F395 L441 A483Y394-A428 WeakPolarHBondContact O-CA 3.37Å; F395-A428 HydrophobicContact CD1-CB 3.82Å; F395-A428 HydrophobicContact CE1-CB 3.77Å; F395-A428 HydrophobicContact CZ-CB 4.43Å; A428-L441 HydrophobicContact CB-CD1 3.72Å; A428-A483 HydrophobicContact CB-CB 4.07Å
429L89.2Confident85.8Confident20 Ų2059.9 Ų59.911%0.10531%0.311CS..EExtended strand (participates in β ladder)trans-122.1160.4-179.5-62.2176.1000109.2P393 Y394 T396 V427 D435 I459P393-L429 CarbonylContact C-O 3.52Å; P393-L429 WeakPolarHBondContact CA-O 3.29Å; Y394-L429 WeakPolarHBondContact CD1-O 3.34Å; Y394-L429 HydrophobicContact CE1-CB 4.04Å; Y394-L429 PolarHBondContact N-O 3.12Å; Y394-L429 PolarHBondContact O-N 3.16Å; T396-L429 HydrophobicContact CG2-CD1 4.09Å; T396-L429 HydrophobicContact CG2-CG 4.39Å; V427-L429 HydrophobicContact CG1-CD2 4.07Å; V427-L429 HydrophobicContact CG1-CG 4.08Å; L429-D435 HydrophobicContact CD1-CB 4.5Å; L429-I459 HydrophobicContact CD2-CG2 3.96Å
430D88.6Confident85.8Confident7 Ų760.9 Ų60.94%0.03731%0.311CS..  trans-129.4140.6174.8-160.8-40.3000107.7D432 P439D430-D432 PolarHBondContact OD1-N 3.45Å; D430-P439 HydrophobicContact CB-CB 3.75Å; D430-P439 HydrophobicContact CB-CG 4.46Å
431K83.3Confident86.1Confident123 Ų12358.3 Ų58.354%0.53530%0.298SS..SBendtrans-83.1-16-178.7-71.4-176.7-177.3171.90113.2Q391 Y394 I433Q391-K431 HydrophobicContact CB-CB 3.85Å; Q391-K431 HydrophobicContact CG-CB 3.85Å; Y394-K431 HydrophobicContact CE1-CG 3.99Å; K431-I433 PolarHBondContact O-N 3Å
432D82.2Confident86.3Confident8 Ų859 Ų594%0.04329%0.293CS..SBendtrans-66-31.3175.6-64.8-25.1000110.4R355 N389 N390 Q391 D430R355-D432 PolarHBondContact NH1-O 2.9Å; N389-D432 WeakPolarHBondContact CA-OD2 3.46Å; N389-D432 PolarHBondContact OD1-OD2 2.76Å; N390-D432 PolarHBondContact N-OD2 3.1Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.42Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.47Å; Q391-D432 PolarHBondContact N-OD1 3.15Å; Q391-D432 VanDerWaalsContact N-OD1 3.14Å; Q391-D432 PolarHBondContact N-OD2 3.15Å; Q391-D432 VanDerWaalsContact N-OD2 3.08Å; D430-D432 PolarHBondContact OD1-N 3.45Å
433I81.1Confident86.3Confident65 Ų6557.2 Ų57.233%0.33328%0.282SS..SBendtrans-107.6145177.8-66.1167.8000110.6K431 D435 K437 P439K431-I433 PolarHBondContact O-N 3Å; I433-D435 PolarHBondContact O-N 2.75Å; I433-K437 HydrophobicContact CG2-CB 3.71Å; I433-P439 HydrophobicContact CD1-CB 4.28Å
434E78.1Confident86.2Confident101 Ų10160 Ų6047%0.47229%0.289SS..  trans-59.4133.7174.4-65.9171.2152.200111.6T436 K437E434-T436 PolarHBondContact O-N 3.36Å; E434-K437 PolarHBondContact O-N 3.1Å; E434-K437 WeakPolarHBondContact OE2-CE 3.45Å; E434-K437 IonicContact OE2-NZ 2.65Å; E434-K437 PolarHBondContact OE2-NZ 2.71Å
435D79Confident86.1Confident95 Ų9560.9 Ų60.951%0.50829%0.294SS..THydrogen-bonded Turntrans-50.2-14.4-178.8-68-26.4000116.2L429 I433L429-D435 HydrophobicContact CD1-CB 4.5Å; I433-D435 PolarHBondContact O-N 2.75Å
436T79.6Confident85.9Confident114 Ų11461.2 Ų61.270%0.69931%0.305SS*.THydrogen-bonded Turntrans-91.4-8.5179.464.40000114.2E434 I459E434-T436 PolarHBondContact O-N 3.36Å; T436-I459 WeakPolarHBondContact O-CD1 3.29Å
437K82Confident85.6Confident116 Ų11665.7 Ų65.750%0.50433%0.328SS..SBendtrans-107.6152177.9-67.4174.6-177.9145.20109.3I433 E434 P439I433-K437 HydrophobicContact CG2-CB 3.71Å; E434-K437 PolarHBondContact O-N 3.1Å; E434-K437 WeakPolarHBondContact OE2-CE 3.45Å; E434-K437 IonicContact OE2-NZ 2.65Å; E434-K437 PolarHBondContact OE2-NZ 2.71Å; K437-P439 VanDerWaalsContact O-CD 3.27Å; K437-P439 WeakPolarHBondContact O-CD 3.48Å
438D82.6Confident85.6Confident44 Ų4467.4 Ų67.424%0.23533%0.332CS..  trans-71.8120.4174.3-174.6-4.9000108.2E440 G458 I459 R461D438-E440 PolarHBondContact O-N 2.77Å; D438-E440 PolarHBondContact OD1-N 2.85Å; D438-G458 VanDerWaalsContact CG-C 3.5Å; D438-G458 VanDerWaalsContact OD2-C 3.29Å; D438-G458 VanDerWaalsContact OD2-CA 3.28Å; D438-G458 WeakPolarHBondContact OD2-CA 3.31Å; D438-G458 PolarHBondContact OD2-N 2.95Å; D438-I459 HydrophobicContact CB-CG1 4.33Å; D438-R461 IonicContact OD1-NH2 2.84Å; D438-R461 PolarHBondContact OD1-NH2 2.8Å; D438-R461 IonicContact OD2-NH2 3.86Å
439P82.9Confident85.5Confident13 Ų1371.4 Ų71.48%0.08436%0.357CS..  trans-71.72174.727.6-32.1000113.4D430 I433 K437 L441D430-P439 HydrophobicContact CB-CB 3.75Å; D430-P439 HydrophobicContact CB-CG 4.46Å; I433-P439 HydrophobicContact CD1-CB 4.28Å; K437-P439 VanDerWaalsContact O-CD 3.27Å; K437-P439 WeakPolarHBondContact O-CD 3.48Å; P439-L441 HydrophobicContact CB-CD1 4.14Å; P439-L441 HydrophobicContact CB-CD2 4.23Å; P439-L441 HydrophobicContact CB-CG 3.82Å; P439-L441 HydrophobicContact CG-CD1 3.59Å; P439-L441 HydrophobicContact CG-CG 3.67Å; P439-L441 PolarHBondContact O-N 2.77Å; P439-L441 VanDerWaalsContact O-N 3.17Å
440E85.5Confident85.3Confident155 Ų15573.7 Ų73.772%0.72437%0.374SS*.  trans57.629.9178-63.1-171.7177.600113.7D438D438-E440 PolarHBondContact O-N 2.77Å; D438-E440 PolarHBondContact OD1-N 2.85Å
441L88.9Confident85.3Confident3 Ų374.1 Ų74.12%0.01638%0.377CS..PPolyproline II helixtrans-65.5138.9-177.3-59.3169.6000112.5P393 A428 P439 L443 A483 F484 D485P393-L441 HydrophobicContact CB-CD1 3.85Å; P393-L441 HydrophobicContact CB-CD2 3.8Å; P393-L441 HydrophobicContact CB-CG 4.48Å; P393-L441 HydrophobicContact CG-CD2 3.59Å; A428-L441 HydrophobicContact CB-CD1 3.72Å; P439-L441 HydrophobicContact CB-CD1 4.14Å; P439-L441 HydrophobicContact CB-CD2 4.23Å; P439-L441 HydrophobicContact CB-CG 3.82Å; P439-L441 HydrophobicContact CG-CD1 3.59Å; P439-L441 HydrophobicContact CG-CG 3.67Å; P439-L441 PolarHBondContact O-N 2.77Å; P439-L441 VanDerWaalsContact O-N 3.17Å; L441-L443 HydrophobicContact CB-CD1 4.27Å; L441-A483 HydrophobicContact CB-CB 4.48Å; L441-A483 HydrophobicContact CD1-CB 4.28Å; L441-F484 WeakPolarHBondContact CA-O 3Å; L441-D485 HydrophobicContact CD2-CB 3.61Å
442H88.9Confident85.8Confident117 Ų11768.3 Ų68.354%0.54235%0.351SS..EExtended strand (participates in β ladder)trans-89.5116.3168.6-69.1-54.7000110.2F444 F484H442-F444 HydrophobicContact CB-CE2 4.08Å; H442-F444 HydrophobicContact CB-CZ 4.27Å; H442-F484 PolarHBondContact N-O 2.82Å; H442-F484 PolarHBondContact O-N 2.86Å
443L90.7Very high86.3Confident22 Ų2270.4 Ų70.412%0.11537%0.365CS..EExtended strand (participates in β ladder)trans-94.1129.5177.4-74.879.8000110.5F395 I426 L441 V454 R461 I481 T482 A483F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4.34Å; I426-L443 HydrophobicContact CG2-CD2 4.04Å; L441-L443 HydrophobicContact CB-CD1 4.27Å; L443-V454 HydrophobicContact CB-CG1 3.83Å; L443-V454 HydrophobicContact CD2-CG2 4.19Å; L443-R461 HydrophobicContact CD1-CG 3.92Å; L443-R461 HydrophobicContact CD2-CB 4.33Å; L443-R461 HydrophobicContact CD2-CG 4.04Å; L443-I481 HydrophobicContact CB-CG2 4.27Å; L443-I481 HydrophobicContact CD2-CG2 4.07Å; L443-I481 HydrophobicContact CG-CG2 4.47Å; L443-T482 CarbonylContact C-O 3.05Å; L443-T482 VanDerWaalsContact CA-O 3.3Å; L443-T482 WeakPolarHBondContact CA-O 3.18Å; L443-A483 HydrophobicContact CG-CB 4.39Å
444F89.8Confident86.8Confident106 Ų10668.2 Ų68.247%0.46535%0.354SS..EExtended strand (participates in β ladder)trans-110.5133177.6-65.1-77.4000110.5H442 I481 T482 F484H442-F444 HydrophobicContact CB-CE2 4.08Å; H442-F444 HydrophobicContact CB-CZ 4.27Å; F444-I481 VanDerWaalsContact O-CA 3.29Å; F444-I481 WeakPolarHBondContact O-CA 3.49Å; F444-T482 PolarHBondContact N-O 2.8Å; F444-T482 PolarHBondContact O-N 2.83Å; F444-F484 HydrophobicContact CD2-CB 4.25Å; F444-F484 HydrophobicContact CE2-CB 3.83Å; F444-F484 HydrophobicContact CE2-CD1 4.25Å; F444-F484 HydrophobicContact CE2-CG 4.35Å
445L90.9Very high87.4Confident21 Ų2165.3 Ų65.311%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-97.4124.2170-6974.3000107.2D447 T449 F452 V454 L463 F479 I481L445-D447 VanDerWaalsContact C-N 3.29Å; L445-D447 PolarHBondContact O-N 3.32Å; L445-T449 HydrophobicContact CB-CG2 3.9Å; L445-T449 VanDerWaalsContact O-CG2 3.27Å; L445-T449 WeakPolarHBondContact O-CG2 3.49Å; L445-F452 HydrophobicContact CD2-CB 4.17Å; L445-V454 HydrophobicContact CD1-CB 4.12Å; L445-V454 HydrophobicContact CD1-CG1 3.73Å; L445-L463 HydrophobicContact CD2-CD2 4.18Å; L445-F479 HydrophobicContact CB-CD2 4.41Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.23Å; L445-F479 HydrophobicContact CD2-CE2 3.52Å; L445-F479 HydrophobicContact CD2-CZ 3.99Å; L445-F479 HydrophobicContact CG-CD2 4.33Å; L445-F479 HydrophobicContact CG-CE2 3.88Å; L445-I481 HydrophobicContact CG-CD1 4.4Å; L445-I481 HydrophobicContact CG-CG1 4.22Å
446N86.9Confident87.7Confident125 Ų12565.4 Ų65.467%0.66835%0.349SS*.SBendtrans-68.3-32-178.9-175.141.4000112.4L480N446-L480 HydrophobicContact CB-CB 4.23Å; N446-L480 PolarHBondContact N-O 2.92Å
447D87.4Confident88Confident93 Ų9365 Ų6550%0.49735%0.347SS..SBendtrans-141.8164.5-176.4-129.7-24.2000111.3L445 T449 F479L445-D447 VanDerWaalsContact C-N 3.29Å; L445-D447 PolarHBondContact O-N 3.32Å; D447-T449 VanDerWaalsContact C-N 3.26Å; D447-T449 PolarHBondContact O-N 3.31Å; D447-F479 HydrophobicContact CB-CB 4.12Å
448Y90.2Very high88.1Confident63 Ų6361 Ų6125%0.24734%0.338CS..  trans57.728.3179.9-52-71.6000115.8S450 V451 F452 Q474 Y477 F479Y448-S450 PolarHBondContact O-N 2.66Å; Y448-V451 PolarHBondContact O-N 2.94Å; Y448-F452 PolarHBondContact O-N 2.82Å; Y448-Q474 PolarHBondContact OH-NE2 3.15Å; Y448-Y477 AromaticContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CE1 4.07Å; Y448-Y477 HydrophobicContact CD2-CD1 4.29Å; Y448-Y477 AromaticContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CE1 4.02Å; Y448-Y477 HydrophobicContact CE2-CD1 4.26Å; Y448-Y477 HydrophobicContact CG-CD1 4.04Å; Y448-Y477 AromaticContact CZ-CD1 3.97Å; Y448-F479 HydrophobicContact CD2-CB 3.97Å; Y448-F479 AromaticContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CG 4.22Å; Y448-F479 HydrophobicContact CE2-CB 4.44Å
449T86.9Confident88.3Confident89 Ų8961.6 Ų61.655%0.54634%0.341SS..THydrogen-bonded Turntrans-62.7-19.2176.852.40000114.1L445 D447L445-T449 HydrophobicContact CB-CG2 3.9Å; L445-T449 VanDerWaalsContact O-CG2 3.27Å; L445-T449 WeakPolarHBondContact O-CG2 3.49Å; D447-T449 VanDerWaalsContact C-N 3.26Å; D447-T449 PolarHBondContact O-N 3.31Å
450S86.3Confident88.7Confident67 Ų6762.9 Ų62.947%0.46935%0.349SS..THydrogen-bonded Turntrans-79.7-20.9172.2590000113.3Y448 Q467Y448-S450 PolarHBondContact O-N 2.66Å; S450-Q467 VanDerWaalsContact O-CD 3.31Å; S450-Q467 VanDerWaalsContact O-CG 3.31Å; S450-Q467 WeakPolarHBondContact O-CG 3.46Å
451V89Confident88.9Confident16 Ų1655.9 Ų55.910%0.09732%0.315CS..THydrogen-bonded Turntrans-101.5-42-174.8-173.80000111.1Y448 L465 L466 V469Y448-V451 PolarHBondContact O-N 2.94Å; V451-L465 HydrophobicContact CG1-CD1 4.31Å; V451-L466 WeakPolarHBondContact O-CB 3.46Å; V451-L466 PolarHBondContact O-N 3.46Å; V451-V469 HydrophobicContact CG1-CG1 3.79Å
452F93.5Very high89.2Confident1 Ų159.3 Ų59.30%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-122.5149.7-179.4-54.9-72.9000111.5I414 L445 Y448 T464 L465 V469 Y477 F479 I497I414-F452 HydrophobicContact CD1-CD1 3.98Å; I414-F452 HydrophobicContact CD1-CE1 3.72Å; I414-F452 HydrophobicContact CG1-CD1 4.37Å; L445-F452 HydrophobicContact CD2-CB 4.17Å; Y448-F452 PolarHBondContact O-N 2.82Å; F452-T464 WeakPolarHBondContact CA-O 3.38Å; F452-L465 HydrophobicContact CD1-CD1 4.03Å; F452-L465 HydrophobicContact CE1-CD1 3.62Å; F452-L465 HydrophobicContact CZ-CD1 4.44Å; F452-V469 HydrophobicContact CZ-CG1 4.36Å; F452-Y477 HydrophobicContact CE2-CD1 4.02Å; F452-Y477 HydrophobicContact CE2-CD2 4.12Å; F452-Y477 AromaticContact CE2-CG 3.72Å; F452-Y477 HydrophobicContact CE2-CG 3.72Å; F452-Y477 AromaticContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CE2 4.44Å; F452-Y477 HydrophobicContact CZ-CG 4.05Å; F452-F479 AromaticContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CZ 4.29Å; F452-F479 HydrophobicContact CE2-CE1 4.25Å; F452-I497 HydrophobicContact CD1-CD1 3.91Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.71Å; F452-I497 HydrophobicContact CE1-CG2 4.48Å; F452-I497 HydrophobicContact CE2-CD1 3.92Å; F452-I497 HydrophobicContact CG-CD1 4.1Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.29Å
453T92.5Very high89.4Confident53 Ų5353.8 Ų53.833%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-135.7158.7170-167.10000111L463 T464 L466T453-L463 CarbonylContact O-C 3.57Å; T453-L463 WeakPolarHBondContact O-CA 3.3Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 2.89Å; T453-T464 PolarHBondContact O-N 2.98Å; T453-L466 HydrophobicContact CG2-CD1 4.12Å; T453-L466 HydrophobicContact CG2-CD2 3.77Å; T453-L466 HydrophobicContact CG2-CG 3.78Å
454V92.1Very high89.5Confident18 Ų1854 Ų5411%0.10931%0.306CS..EExtended strand (participates in β ladder)trans-112.5137.2178.266.90000109.4L443 L445 R461 Y462 L463L443-V454 HydrophobicContact CB-CG1 3.83Å; L443-V454 HydrophobicContact CD2-CG2 4.19Å; L445-V454 HydrophobicContact CD1-CB 4.12Å; L445-V454 HydrophobicContact CD1-CG1 3.73Å; V454-R461 HydrophobicContact CG2-CB 3.77Å; V454-R461 HydrophobicContact CG2-CG 4.47Å; V454-Y462 WeakPolarHBondContact CA-O 3.33Å; V454-L463 HydrophobicContact CB-CD2 4.03Å; V454-L463 HydrophobicContact CG2-CD2 4.44Å
455T89.8Confident89.6Confident40 Ų4049 Ų4925%0.24528%0.284CS..  trans-57.7136.9174.852.70000110.5R461 Y462T455-R461 WeakPolarHBondContact O-CD 3.35Å; T455-R461 PolarHBondContact O-NE 3.22Å; T455-R461 WeakPolarHBondContact OG1-CA 3.23Å; T455-Y462 HydrophobicContact CG2-CD2 4.48Å; T455-Y462 PolarHBondContact N-O 3.25Å; T455-Y462 PolarHBondContact OG1-N 2.86Å
456P85.2Confident89.6Confident97 Ų9751.7 Ų51.763%0.6330%0.298SS*.SBendtrans-80.8-21.6-17229.3-35.1000115.2R461P456-R461 PolarHBondContact O-NE 3.12Å; P456-R461 PolarHBondContact O-NH2 3.48Å
457T85.9Confident89.7Confident107 Ų10750.5 Ų50.566%0.65629%0.288SS*.SBendtrans-133.7156.9-169.4580000113.5R461T457-R461 VanDerWaalsContact C-CZ 3.49Å; T457-R461 PolarHBondContact O-NH1 3.36Å
458G85.1Confident89.8Confident30 Ų3050.8 Ų50.831%0.30930%0.295SS..SBendtrans114.4179.1-173.700000114.6D438 R461D438-G458 VanDerWaalsContact CG-C 3.5Å; D438-G458 VanDerWaalsContact OD2-C 3.29Å; D438-G458 VanDerWaalsContact OD2-CA 3.28Å; D438-G458 WeakPolarHBondContact OD2-CA 3.31Å; D438-G458 PolarHBondContact OD2-N 2.95Å; G458-R461 VanDerWaalsContact CA-NH1 3.3Å; G458-R461 PolarHBondContact O-NH1 2.63Å; G458-R461 PolarHBondContact O-NH2 2.97Å
459I86.4Confident89.8Confident57 Ų5748.1 Ų48.129%0.29229%0.285SS..SBendtrans-87.7-35.1166.3-63.3167.1000110V427 L429 T436 D438V427-I459 HydrophobicContact CG1-CG2 4.12Å; L429-I459 HydrophobicContact CD2-CG2 3.96Å; T436-I459 WeakPolarHBondContact O-CD1 3.29Å; D438-I459 HydrophobicContact CB-CG1 4.33Å
460T89.9Confident90Very high41 Ų4146.8 Ų46.825%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-98.7119.9175-53.10000110.1R425 V427 Y462R425-T460 HydrophobicContact CB-CG2 3.56Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; V427-T460 HydrophobicContact CG2-CG2 4.26Å; T460-Y462 HydrophobicContact CG2-CE1 3.94Å; T460-Y462 HydrophobicContact CG2-CE2 4.12Å
461R91.7Very high90.3Very high7 Ų744.3 Ų44.33%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-95146.4175.3-59.3-86.7174.5-74.8-4.7109.7I426 D438 L443 V454 T455 P456 T457 G458I426-R461 HydrophobicContact CB-CB 4.18Å; I426-R461 PolarHBondContact N-O 3.26Å; I426-R461 WeakPolarHBondContact O-CB 3.36Å; I426-R461 PolarHBondContact O-N 3.12Å; D438-R461 IonicContact OD1-NH2 2.84Å; D438-R461 PolarHBondContact OD1-NH2 2.8Å; D438-R461 IonicContact OD2-NH2 3.86Å; L443-R461 HydrophobicContact CD1-CG 3.92Å; L443-R461 HydrophobicContact CD2-CB 4.33Å; L443-R461 HydrophobicContact CD2-CG 4.04Å; V454-R461 HydrophobicContact CG2-CB 3.77Å; V454-R461 HydrophobicContact CG2-CG 4.47Å; T455-R461 WeakPolarHBondContact O-CD 3.35Å; T455-R461 PolarHBondContact O-NE 3.22Å; T455-R461 WeakPolarHBondContact OG1-CA 3.23Å; P456-R461 PolarHBondContact O-NE 3.12Å; P456-R461 PolarHBondContact O-NH2 3.48Å; T457-R461 VanDerWaalsContact C-CZ 3.49Å; T457-R461 PolarHBondContact O-NH1 3.36Å; G458-R461 VanDerWaalsContact CA-NH1 3.3Å; G458-R461 PolarHBondContact O-NH1 2.63Å; G458-R461 PolarHBondContact O-NH2 2.97Å
462Y93.6Very high90.3Very high75 Ų7546.5 Ų46.529%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-125.1142179.1-57.9-81.6000110.7P423 L424 R425 V454 T455 T460P423-Y462 HydrophobicContact CB-CD1 3.88Å; P423-Y462 HydrophobicContact CB-CE1 4.05Å; P423-Y462 HydrophobicContact CG-CD1 4.21Å; P423-Y462 HydrophobicContact CG-CE1 3.85Å; L424-Y462 WeakPolarHBondContact O-CD1 3.41Å; R425-Y462 HydrophobicContact CG-CE1 3.91Å; V454-Y462 WeakPolarHBondContact CA-O 3.33Å; T455-Y462 HydrophobicContact CG2-CD2 4.48Å; T455-Y462 PolarHBondContact N-O 3.25Å; T455-Y462 PolarHBondContact OG1-N 2.86Å; T460-Y462 HydrophobicContact CG2-CE1 3.94Å; T460-Y462 HydrophobicContact CG2-CE2 4.12Å
463L93.6Very high90.1Very high1 Ų154.3 Ų54.31%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-87.3134.1170.4-72.5172.3000110.5T413 I414 L424 I426 L445 T453 V454 F479 I481 V495 I497T413-L463 WeakPolarHBondContact CA-O 3.37Å; I414-L463 HydrophobicContact CB-CB 4.09Å; I414-L463 HydrophobicContact CG1-CB 3.67Å; I414-L463 PolarHBondContact N-O 2.99Å; L424-L463 HydrophobicContact CD2-CD1 4.28Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CD2 4.37Å; I426-L463 HydrophobicContact CD1-CG 3.69Å; L445-L463 HydrophobicContact CD2-CD2 4.18Å; T453-L463 CarbonylContact O-C 3.57Å; T453-L463 WeakPolarHBondContact O-CA 3.3Å; V454-L463 HydrophobicContact CB-CD2 4.03Å; V454-L463 HydrophobicContact CG2-CD2 4.44Å; L463-F479 HydrophobicContact CD1-CZ 4.25Å; L463-I481 HydrophobicContact CD1-CD1 4.46Å; L463-I481 HydrophobicContact CD2-CD1 4.36Å; L463-V495 HydrophobicContact CD1-CG1 3.87Å; L463-I497 HydrophobicContact CD1-CD1 4.34Å
464T92.5Very high90Very high28 Ų2854.8 Ų54.817%0.17230%0.299CS..EExtended strand (participates in β ladder)trans-126.7151.9176.255.60000111.6A412 T413 F452 T453A412-T464 WeakPolarHBondContact O-CA 3.23Å; T413-T464 HydrophobicContact CG2-CG2 3.86Å; F452-T464 WeakPolarHBondContact CA-O 3.38Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 2.89Å; T453-T464 PolarHBondContact O-N 2.98Å
465L93.3Very high89.9Confident1 Ų159.3 Ų59.31%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-80.1128.3178.7-166.272.4000111.3I404 G411 A412 V451 F452 Q467 V469I404-L465 HydrophobicContact CD1-CB 3.95Å; I404-L465 HydrophobicContact CD1-CD1 3.67Å; I404-L465 HydrophobicContact CD1-CD2 3.72Å; I404-L465 HydrophobicContact CD1-CG 3.97Å; G411-L465 WeakPolarHBondContact CA-O 3.44Å; G411-L465 PolarHBondContact N-O 3.34Å; A412-L465 PolarHBondContact O-N 3.1Å; V451-L465 HydrophobicContact CG1-CD1 4.31Å; F452-L465 HydrophobicContact CD1-CD1 4.03Å; F452-L465 HydrophobicContact CE1-CD1 3.62Å; F452-L465 HydrophobicContact CZ-CD1 4.44Å; L465-Q467 WeakPolarHBondContact CD1-O 3.39Å; L465-Q467 WeakPolarHBondContact CD2-O 3.36Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; L465-V469 HydrophobicContact CD1-CG1 3.73Å
466L89.7Confident90Very high77 Ų7761.1 Ų61.140%0.40333%0.331SS..SBendtrans-100.9-32174.4-74.2-177.7000113.3V410 V451 T453V410-L466 WeakPolarHBondContact CG1-O 3.14Å; V410-L466 WeakPolarHBondContact CG2-O 3.45Å; V451-L466 WeakPolarHBondContact O-CB 3.46Å; V451-L466 PolarHBondContact O-N 3.46Å; T453-L466 HydrophobicContact CG2-CD1 4.12Å; T453-L466 HydrophobicContact CG2-CD2 3.77Å; T453-L466 HydrophobicContact CG2-CG 3.78Å
467Q89.2Confident90.4Very high99 Ų9957.3 Ų57.346%0.46330%0.304SS..SBendtrans-127.9142.8177.6-73.5-179-5.200109.8S450 L465 V469S450-Q467 VanDerWaalsContact O-CD 3.31Å; S450-Q467 VanDerWaalsContact O-CG 3.31Å; S450-Q467 WeakPolarHBondContact O-CG 3.46Å; L465-Q467 WeakPolarHBondContact CD1-O 3.39Å; L465-Q467 WeakPolarHBondContact CD2-O 3.36Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; Q467-V469 PolarHBondContact O-N 2.62Å
468P89.2Confident90.7Very high100 Ų10056 Ų5665%0.64930%0.296SS*.  trans-56.3138.1173.526-32.3000109.4
469V91.1Very high91.1Very high7 Ų755 Ų554%0.04228%0.283CS..  trans-99.3147.7174.9-68.60000108.3I404 E406 V451 F452 L465 Q467 Y477 V499I404-V469 HydrophobicContact CG2-CG2 4.09Å; E406-V469 VanDerWaalsContact CG-O 3.27Å; E406-V469 WeakPolarHBondContact CG-O 3.45Å; V451-V469 HydrophobicContact CG1-CG1 3.79Å; F452-V469 HydrophobicContact CZ-CG1 4.36Å; L465-V469 HydrophobicContact CD1-CG1 3.73Å; Q467-V469 PolarHBondContact O-N 2.62Å; V469-Y477 HydrophobicContact CB-CE2 4.33Å; V469-Y477 HydrophobicContact CG1-CE2 3.92Å; V469-V499 HydrophobicContact CB-CG2 4.4Å; V469-V499 HydrophobicContact CG2-CG1 4Å; V469-V499 HydrophobicContact CG2-CG2 4.23Å
470D90.7Very high91.4Very high60 Ų6055.2 Ų55.232%0.32128%0.284SS..  trans-122124.6175.3178.6-32000107.5E406 E472 E473 Q474E406-D470 WeakPolarHBondContact OE1-CA 3.31Å; D470-E472 WeakPolarHBondContact OD1-CA 3.46Å; D470-E472 WeakPolarHBondContact OD1-CB 3.4Å; D470-E472 PolarHBondContact OD1-N 3.16Å; D470-E473 HydrophobicContact CB-CB 4.24Å; D470-E473 HydrophobicContact CB-CG 4.25Å; D470-E473 PolarHBondContact OD1-N 2.87Å; D470-E473 VanDerWaalsContact OD1-N 3.14Å; D470-Q474 PolarHBondContact O-N 2.94Å
471R91.5Very high91.5Very high16 Ų1653.4 Ų53.46%0.0627%0.273CS..THydrogen-bonded Turntrans-77-34.3-174.1-169.9-156.277.9112.31.9111E406 E473 Q474 Q475 V499 D501 A536 E538E406-R471 HydrophobicContact CG-CB 4.33Å; E406-R471 PolarHBondContact OE1-N 3.03Å; E406-R471 WeakPolarHBondContact OE2-CB 3.45Å; R471-E473 VanDerWaalsContact C-N 3.25Å; R471-E473 PolarHBondContact O-N 2.8Å; R471-Q474 CarbonylContact O-C 3.59Å; R471-Q474 PolarHBondContact O-N 3.42Å; R471-Q475 HydrophobicContact CG-CG 4.19Å; R471-Q475 WeakPolarHBondContact O-CG 3.31Å; R471-Q475 PolarHBondContact O-N 3.05Å; R471-V499 HydrophobicContact CB-CB 4.31Å; R471-V499 HydrophobicContact CB-CG1 3.82Å; R471-V499 HydrophobicContact CG-CB 4.18Å; R471-V499 HydrophobicContact CG-CG1 4.15Å; R471-D501 IonicContact CZ-OD1 3.72Å; R471-D501 VanDerWaalsContact CZ-OD1 3.28Å; R471-D501 IonicContact NE-OD1 3.47Å; R471-D501 PolarHBondContact NE-OD1 2.84Å; R471-D501 IonicContact NH1-OD1 3.83Å; R471-D501 IonicContact NH2-OD1 3.96Å; R471-A536 PolarHBondContact NH2-O 3.34Å; R471-E538 IonicContact NH1-OE2 3.85Å; R471-E538 PolarHBondContact NH1-OE2 3.23Å
472E90.5Very high91.6Very high61 Ų6154.6 Ų54.629%0.28528%0.281SS..THydrogen-bonded Turntrans-67.1-31.1177.9-8262.5-104.100111.1D470 N505 A536D470-E472 WeakPolarHBondContact OD1-CA 3.46Å; D470-E472 WeakPolarHBondContact OD1-CB 3.4Å; D470-E472 PolarHBondContact OD1-N 3.16Å; E472-N505 PolarHBondContact OE2-ND2 3.37Å; E472-A536 HydrophobicContact CG-CB 3.59Å
473E87.9Confident91.5Very high165 Ų16551 Ų5177%0.77127%0.267SS*.THydrogen-bonded Turntrans-75.2-50168.5-69.6-166.2164.100112.4D470 R471D470-E473 HydrophobicContact CB-CB 4.24Å; D470-E473 HydrophobicContact CB-CG 4.25Å; D470-E473 PolarHBondContact OD1-N 2.87Å; D470-E473 VanDerWaalsContact OD1-N 3.14Å; R471-E473 VanDerWaalsContact C-N 3.25Å; R471-E473 PolarHBondContact O-N 2.8Å
474Q90.3Very high91.3Very high63 Ų6353.5 Ų53.529%0.29428%0.278SS..  trans-151113.4-177-171.2172.7-20.300114.1Y448 D470 R471 T476 Y477Y448-Q474 PolarHBondContact OH-NE2 3.15Å; D470-Q474 PolarHBondContact O-N 2.94Å; R471-Q474 CarbonylContact O-C 3.59Å; R471-Q474 PolarHBondContact O-N 3.42Å; Q474-T476 PolarHBondContact NE2-O 2.68Å; Q474-Y477 VanDerWaalsContact CD-CE1 3.47Å; Q474-Y477 HydrophobicContact CG-CE1 4.2Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact NE2-CD1 3.35Å
475Q90Very high91.1Very high114 Ų11453.7 Ų53.753%0.53328%0.278SS..SBendtrans-77.3-28-175.9-59.1-176-9.500114.8R471 V499R471-Q475 HydrophobicContact CG-CG 4.19Å; R471-Q475 WeakPolarHBondContact O-CG 3.31Å; R471-Q475 PolarHBondContact O-N 3.05Å; Q475-V499 PolarHBondContact O-N 3.2Å
476T92.3Very high90.5Very high78 Ų7855.9 Ų55.948%0.47930%0.301SS..EExtended strand (participates in β ladder)trans-141136.7-173.757.40000112.3Q474 I497Q474-T476 PolarHBondContact NE2-O 2.68Å; T476-I497 WeakPolarHBondContact CA-O 3.36Å
477Y93.3Very high90.1Very high17 Ų1757 Ų577%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-114.6124.5172.9-63.8-90.4000109.6Y448 F452 V469 Q474 N496 I497 V499Y448-Y477 AromaticContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CE1 4.07Å; Y448-Y477 HydrophobicContact CD2-CD1 4.29Å; Y448-Y477 AromaticContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CE1 4.02Å; Y448-Y477 HydrophobicContact CE2-CD1 4.26Å; Y448-Y477 HydrophobicContact CG-CD1 4.04Å; Y448-Y477 AromaticContact CZ-CD1 3.97Å; F452-Y477 HydrophobicContact CE2-CD1 4.02Å; F452-Y477 HydrophobicContact CE2-CD2 4.12Å; F452-Y477 AromaticContact CE2-CG 3.72Å; F452-Y477 HydrophobicContact CE2-CG 3.72Å; F452-Y477 AromaticContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CE2 4.44Å; F452-Y477 HydrophobicContact CZ-CG 4.05Å; V469-Y477 HydrophobicContact CB-CE2 4.33Å; V469-Y477 HydrophobicContact CG1-CE2 3.92Å; Q474-Y477 VanDerWaalsContact CD-CE1 3.47Å; Q474-Y477 HydrophobicContact CG-CE1 4.2Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact NE2-CD1 3.35Å; Y477-N496 CarbonylContact O-C 3.6Å; Y477-N496 WeakPolarHBondContact O-CA 3.22Å; Y477-I497 PolarHBondContact N-O 3.31Å; Y477-I497 PolarHBondContact O-N 2.92Å; Y477-V499 HydrophobicContact CD2-CG2 4.05Å; Y477-V499 HydrophobicContact CE2-CG2 3.74Å
478T92.7Very high89.8Confident79 Ų7955.2 Ų55.249%0.48530%0.302SS..EExtended strand (participates in β ladder)trans-127.6119.2-179.761.30000109.4V495 N496T478-V495 WeakPolarHBondContact CA-O 3.47Å; T478-N496 WeakPolarHBondContact CB-OD1 3.31Å; T478-N496 HydrophobicContact CG2-CB 4.43Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.41Å
479F93.3Very high89.8Confident10 Ų1056.4 Ų56.44%0.04430%0.299CS..EExtended strand (participates in β ladder)trans-147.6171.5-179.157.4-88.6000111.7L445 D447 Y448 F452 L463 I481 V495 I497L445-F479 HydrophobicContact CB-CD2 4.41Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.23Å; L445-F479 HydrophobicContact CD2-CE2 3.52Å; L445-F479 HydrophobicContact CD2-CZ 3.99Å; L445-F479 HydrophobicContact CG-CD2 4.33Å; L445-F479 HydrophobicContact CG-CE2 3.88Å; D447-F479 HydrophobicContact CB-CB 4.12Å; Y448-F479 HydrophobicContact CD2-CB 3.97Å; Y448-F479 AromaticContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CG 4.22Å; Y448-F479 HydrophobicContact CE2-CB 4.44Å; F452-F479 AromaticContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CZ 4.29Å; F452-F479 HydrophobicContact CE2-CE1 4.25Å; L463-F479 HydrophobicContact CD1-CZ 4.25Å; F479-I481 HydrophobicContact CD2-CG1 4.07Å; F479-I481 HydrophobicContact CE2-CD1 3.9Å; F479-I481 HydrophobicContact CE2-CG1 3.79Å; F479-V495 HydrophobicContact CD2-CB 4.41Å; F479-V495 HydrophobicContact CE1-CG1 4.47Å; F479-V495 HydrophobicContact CE2-CB 4.04Å; F479-V495 HydrophobicContact CE2-CG1 4.38Å; F479-V495 HydrophobicContact CE2-CG2 4.47Å; F479-V495 HydrophobicContact CZ-CB 4.12Å; F479-V495 HydrophobicContact CZ-CG1 4.02Å; F479-V495 PolarHBondContact N-O 3.42Å; F479-V495 PolarHBondContact O-N 2.85Å; F479-I497 HydrophobicContact CE1-CD1 3.8Å; F479-I497 HydrophobicContact CE1-CG1 4.36Å; F479-I497 HydrophobicContact CZ-CD1 4.03Å
480L93.2Very high89.7Confident61 Ų6156.3 Ų56.332%0.31930%0.299SS..EExtended strand (participates in β ladder)trans-104.5143.9179.2-65.3171.9000110.9N446 P492 V493 V494N446-L480 HydrophobicContact CB-CB 4.23Å; N446-L480 PolarHBondContact N-O 2.92Å; L480-P492 HydrophobicContact CB-CB 4.34Å; L480-P492 HydrophobicContact CD1-CB 4.29Å; L480-P492 HydrophobicContact CD2-CB 4.35Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.28Å; L480-V494 HydrophobicContact CD2-CB 4.27Å; L480-V494 HydrophobicContact CD2-CG2 3.52Å
481I92.3Very high89.7Confident2 Ų261.3 Ų61.31%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-118.8135.5170.2-56.5-174.8000109.4F395 I426 L443 F444 L445 L463 F479 V493 V495F395-I481 HydrophobicContact CE1-CG2 4.32Å; F395-I481 HydrophobicContact CZ-CB 4.44Å; F395-I481 HydrophobicContact CZ-CG2 3.82Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å; L443-I481 HydrophobicContact CB-CG2 4.27Å; L443-I481 HydrophobicContact CD2-CG2 4.07Å; L443-I481 HydrophobicContact CG-CG2 4.47Å; F444-I481 VanDerWaalsContact O-CA 3.29Å; F444-I481 WeakPolarHBondContact O-CA 3.49Å; L445-I481 HydrophobicContact CG-CD1 4.4Å; L445-I481 HydrophobicContact CG-CG1 4.22Å; L463-I481 HydrophobicContact CD1-CD1 4.46Å; L463-I481 HydrophobicContact CD2-CD1 4.36Å; F479-I481 HydrophobicContact CD2-CG1 4.07Å; F479-I481 HydrophobicContact CE2-CD1 3.9Å; F479-I481 HydrophobicContact CE2-CG1 3.79Å; I481-V493 PolarHBondContact N-O 3.34Å; I481-V493 PolarHBondContact O-N 3.5Å; I481-V495 HydrophobicContact CB-CG2 4.5Å; I481-V495 HydrophobicContact CD1-CB 4.42Å; I481-V495 HydrophobicContact CD1-CG2 3.47Å; I481-V495 VanDerWaalsContact CD1-CG2 3.47Å; I481-V495 HydrophobicContact CG1-CG2 3.72Å
482T92.7Very high89.7Confident32 Ų3263.7 Ų63.720%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-120.5150.4170.951.40000110.1L443 F444 P492L443-T482 CarbonylContact C-O 3.05Å; L443-T482 VanDerWaalsContact CA-O 3.3Å; L443-T482 WeakPolarHBondContact CA-O 3.18Å; F444-T482 PolarHBondContact N-O 2.8Å; F444-T482 PolarHBondContact O-N 2.83Å; T482-P492 HydrophobicContact CG2-CB 3.68Å
483A91.9Very high89.8Confident0 Ų061.4 Ų61.40%033%0.328CS..EExtended strand (participates in β ladder)trans-112.9142.4173.400000109.9P393 F395 A428 L441 L443 E489 S490P393-A483 HydrophobicContact CB-CB 4.16Å; F395-A483 HydrophobicContact CE2-CB 4.17Å; F395-A483 HydrophobicContact CZ-CB 3.83Å; A428-A483 HydrophobicContact CB-CB 4.07Å; L441-A483 HydrophobicContact CB-CB 4.48Å; L441-A483 HydrophobicContact CD1-CB 4.28Å; L443-A483 HydrophobicContact CG-CB 4.39Å; A483-E489 WeakPolarHBondContact O-CA 3.38Å; A483-S490 PolarHBondContact N-OG 2.86Å; A483-S490 PolarHBondContact O-N 3.34Å; A483-S490 PolarHBondContact O-OG 3.44Å
484F90.7Very high90Very high53 Ų5356.4 Ų56.423%0.23231%0.309CS..EExtended strand (participates in β ladder)trans-133.5130.7-177.3-179.9-118.5000110.5L441 H442 F444 G486 Q488 E489L441-F484 WeakPolarHBondContact CA-O 3Å; H442-F484 PolarHBondContact N-O 2.82Å; H442-F484 PolarHBondContact O-N 2.86Å; F444-F484 HydrophobicContact CD2-CB 4.25Å; F444-F484 HydrophobicContact CE2-CB 3.83Å; F444-F484 HydrophobicContact CE2-CD1 4.25Å; F444-F484 HydrophobicContact CE2-CG 4.35Å; F484-G486 VanDerWaalsContact CZ-O 3.23Å; F484-G486 WeakPolarHBondContact CZ-O 3.43Å; F484-Q488 WeakPolarHBondContact CD2-O 3.41Å; F484-E489 HydrophobicContact CB-CG 4.44Å; F484-E489 HydrophobicContact CD2-CG 3.55Å; F484-E489 HydrophobicContact CE2-CG 4.23Å; F484-E489 HydrophobicContact CG-CG 4.38Å
485D87.4Confident90.2Very high32 Ų3253.4 Ų53.417%0.17130%0.295CS..  trans-95-9.3178.960.148.6000114.2N389 P393 L441 V487 Q488N389-D485 PolarHBondContact ND2-OD1 3.4Å; N389-D485 VanDerWaalsContact ND2-OD1 3.15Å; P393-D485 WeakPolarHBondContact CD-OD2 3.48Å; P393-D485 HydrophobicContact CG-CB 3.88Å; P393-D485 VanDerWaalsContact CG-OD2 3.24Å; P393-D485 WeakPolarHBondContact CG-OD2 3.22Å; L441-D485 HydrophobicContact CD2-CB 3.61Å; D485-V487 WeakPolarHBondContact OD1-CA 3.41Å; D485-V487 PolarHBondContact OD1-N 2.82Å; D485-Q488 PolarHBondContact N-O 2.74Å; D485-Q488 PolarHBondContact OD1-N 2.87Å; D485-Q488 WeakPolarHBondContact OD2-CB 3.15Å; D485-Q488 PolarHBondContact OD2-N 3.36Å
486G81Confident90.3Very high48 Ų4850.5 Ų50.550%0.49528%0.283SS..SBendtrans115.8-23.3-173.400000114.2F484F484-G486 VanDerWaalsContact CZ-O 3.23Å; F484-G486 WeakPolarHBondContact CZ-O 3.43Å
487V81.7Confident90.4Very high101 Ų10146.9 Ų46.961%0.61226%0.26SS*.SBendtrans-124-47-180-174.80000110.5N389 D485N389-V487 WeakPolarHBondContact ND2-CG2 3.32Å; D485-V487 WeakPolarHBondContact OD1-CA 3.41Å; D485-V487 PolarHBondContact OD1-N 2.82Å
488Q82.8Confident90.4Very high61 Ų6151.9 Ų51.929%0.28528%0.279SS..  trans-120.9153.3-174.6-56.5-17392.900113.1N390 Q391 F484 D485N390-Q488 PolarHBondContact O-NE2 3.24Å; Q391-Q488 PolarHBondContact O-NE2 2.92Å; F484-Q488 WeakPolarHBondContact CD2-O 3.41Å; D485-Q488 PolarHBondContact N-O 2.74Å; D485-Q488 PolarHBondContact OD1-N 2.87Å; D485-Q488 WeakPolarHBondContact OD2-CB 3.15Å; D485-Q488 PolarHBondContact OD2-N 3.36Å
489E88.1Confident90.3Very high124 Ų12448.3 Ų48.358%0.57926%0.258SS*.BIsolated β-bridgetrans-111.8143.5177.7-71.2-175.7-178.200110.9A483 F484A483-E489 WeakPolarHBondContact O-CA 3.38Å; F484-E489 HydrophobicContact CB-CG 4.44Å; F484-E489 HydrophobicContact CD2-CG 3.55Å; F484-E489 HydrophobicContact CE2-CG 4.23Å; F484-E489 HydrophobicContact CG-CG 4.38Å
490S90.1Very high90.2Very high6 Ų650.3 Ų50.34%0.04227%0.267CS..PPolyproline II helixtrans-74.4157.9173.273.30000112.4P393 F395 A483P393-S490 WeakPolarHBondContact O-CA 3.34Å; P393-S490 WeakPolarHBondContact O-CB 3.18Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.2Å; A483-S490 PolarHBondContact N-OG 2.86Å; A483-S490 PolarHBondContact O-N 3.34Å; A483-S490 PolarHBondContact O-OG 3.44Å
491E89.4Confident90Very high165 Ų16548.9 Ų48.977%0.77126%0.26SS*.PPolyproline II helixtrans-58.2134.6163.5-70.5-64.9143.900111.6
492P91.8Very high89.8Confident66 Ų6649.6 Ų49.643%0.42927%0.266SS..PPolyproline II helixtrans-69.1136-176.426.6-33.5000112L480 T482L480-P492 HydrophobicContact CB-CB 4.34Å; L480-P492 HydrophobicContact CD1-CB 4.29Å; L480-P492 HydrophobicContact CD2-CB 4.35Å; T482-P492 HydrophobicContact CG2-CB 3.68Å
493V92.4Very high89.7Confident13 Ų1348.7 Ų48.78%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-114.1137.7-179.8168.20000111.6F395 P398 Y400 L480 I481F395-V493 HydrophobicContact CB-CG2 3.87Å; F395-V493 HydrophobicContact CD2-CB 3.99Å; F395-V493 HydrophobicContact CD2-CG2 3.53Å; F395-V493 HydrophobicContact CE2-CB 4.42Å; F395-V493 HydrophobicContact CE2-CG2 4.35Å; F395-V493 HydrophobicContact CG-CB 4.34Å; F395-V493 HydrophobicContact CG-CG2 3.91Å; P398-V493 WeakPolarHBondContact O-CG1 3.31Å; Y400-V493 HydrophobicContact CD2-CG1 3.68Å; Y400-V493 HydrophobicContact CE2-CG1 3.83Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.28Å; I481-V493 PolarHBondContact N-O 3.34Å; I481-V493 PolarHBondContact O-N 3.5Å
494V93.1Very high89.5Confident60 Ų6052 Ų5236%0.36428%0.278SS..EExtended strand (participates in β ladder)trans-78.5131.3179.6-177.50000111.1S399 Y400 L480 N496S399-V494 CarbonylContact C-O 3.57Å; S399-V494 VanDerWaalsContact CA-O 3.26Å; S399-V494 WeakPolarHBondContact CA-O 3.45Å; S399-V494 WeakPolarHBondContact CB-O 3.26Å; Y400-V494 PolarHBondContact N-O 2.82Å; L480-V494 HydrophobicContact CD2-CB 4.27Å; L480-V494 HydrophobicContact CD2-CG2 3.52Å; V494-N496 WeakPolarHBondContact CG1-OD1 3.29Å
495V93.6Very high89.5Confident0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-117.4123.4171-175.60000109.7Y400 L463 T478 F479 I481 I497Y400-V495 HydrophobicContact CD2-CG2 4.25Å; Y400-V495 WeakPolarHBondContact O-CA 3.17Å; L463-V495 HydrophobicContact CD1-CG1 3.87Å; T478-V495 WeakPolarHBondContact CA-O 3.47Å; F479-V495 HydrophobicContact CD2-CB 4.41Å; F479-V495 HydrophobicContact CE1-CG1 4.47Å; F479-V495 HydrophobicContact CE2-CB 4.04Å; F479-V495 HydrophobicContact CE2-CG1 4.38Å; F479-V495 HydrophobicContact CE2-CG2 4.47Å; F479-V495 HydrophobicContact CZ-CB 4.12Å; F479-V495 HydrophobicContact CZ-CG1 4.02Å; F479-V495 PolarHBondContact N-O 3.42Å; F479-V495 PolarHBondContact O-N 2.85Å; I481-V495 HydrophobicContact CB-CG2 4.5Å; I481-V495 HydrophobicContact CD1-CB 4.42Å; I481-V495 HydrophobicContact CD1-CG2 3.47Å; I481-V495 VanDerWaalsContact CD1-CG2 3.47Å; I481-V495 HydrophobicContact CG1-CG2 3.72Å; V495-I497 HydrophobicContact CG1-CG1 4.16Å
496N93.4Very high89.6Confident53 Ų5352.7 Ų52.728%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-114.6118.4178.9-70.3-21.1000109.6Y400 Q401 G402 Y477 T478 V494Y400-N496 PolarHBondContact O-N 3.21Å; Q401-N496 CarbonylContact C-O 3.55Å; Q401-N496 WeakPolarHBondContact CA-O 3.39Å; Q401-N496 PolarHBondContact NE2-O 3.23Å; Q401-N496 VanDerWaalsContact NE2-O 3.12Å; G402-N496 PolarHBondContact N-O 3.11Å; Y477-N496 CarbonylContact O-C 3.6Å; Y477-N496 WeakPolarHBondContact O-CA 3.22Å; T478-N496 WeakPolarHBondContact CB-OD1 3.31Å; T478-N496 HydrophobicContact CG2-CB 4.43Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.41Å; V494-N496 WeakPolarHBondContact CG1-OD1 3.29Å
497I93Very high90.2Very high1 Ų150.4 Ų50.41%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-112124.7177.9-55.5177.5000108.6G402 I404 I414 F452 L463 T476 Y477 F479 V495G402-I497 WeakPolarHBondContact O-CA 3.48Å; I404-I497 HydrophobicContact CG2-CG2 4.04Å; I414-I497 HydrophobicContact CD1-CD1 4.29Å; I414-I497 HydrophobicContact CD1-CG2 4.34Å; I414-I497 HydrophobicContact CG1-CD1 4.13Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.35Å; I414-I497 HydrophobicContact CG2-CG2 4.27Å; F452-I497 HydrophobicContact CD1-CD1 3.91Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.71Å; F452-I497 HydrophobicContact CE1-CG2 4.48Å; F452-I497 HydrophobicContact CE2-CD1 3.92Å; F452-I497 HydrophobicContact CG-CD1 4.1Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.29Å; L463-I497 HydrophobicContact CD1-CD1 4.34Å; T476-I497 WeakPolarHBondContact CA-O 3.36Å; Y477-I497 PolarHBondContact N-O 3.31Å; Y477-I497 PolarHBondContact O-N 2.92Å; F479-I497 HydrophobicContact CE1-CD1 3.8Å; F479-I497 HydrophobicContact CE1-CG1 4.36Å; F479-I497 HydrophobicContact CZ-CD1 4.03Å; V495-I497 HydrophobicContact CG1-CG1 4.16Å
498R92.8Very high90.6Very high122 Ų12249.3 Ų49.346%0.4626%0.256SS..EExtended strand (participates in β ladder)trans-102129.1173.4-176.4175.1179.3171.7-0.5110.2G402 Y403 I404G402-R498 PolarHBondContact O-N 2.96Å; Y403-R498 WeakPolarHBondContact CA-O 3.33Å; Y403-R498 HydrophobicContact CD1-CB 3.94Å; Y403-R498 HydrophobicContact CE1-CB 4.12Å; I404-R498 PolarHBondContact N-O 3.45Å; I404-R498 VanDerWaalsContact N-O 3.1Å
499V92.4Very high91Very high5 Ų547.5 Ų47.53%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-82.9131.4173.3-170.30000108.8I404 E406 V469 R471 Q475 Y477I404-V499 HydrophobicContact CG2-CG2 4.25Å; I404-V499 CarbonylContact O-C 3.52Å; I404-V499 WeakPolarHBondContact O-CA 3.28Å; E406-V499 HydrophobicContact CB-CG1 3.81Å; E406-V499 HydrophobicContact CG-CG1 4.34Å; V469-V499 HydrophobicContact CB-CG2 4.4Å; V469-V499 HydrophobicContact CG2-CG1 4Å; V469-V499 HydrophobicContact CG2-CG2 4.23Å; R471-V499 HydrophobicContact CB-CB 4.31Å; R471-V499 HydrophobicContact CB-CG1 3.82Å; R471-V499 HydrophobicContact CG-CB 4.18Å; R471-V499 HydrophobicContact CG-CG1 4.15Å; Q475-V499 PolarHBondContact O-N 3.2Å; Y477-V499 HydrophobicContact CD2-CG2 4.05Å; Y477-V499 HydrophobicContact CE2-CG2 3.74Å
500M89.9Confident91Very high51 Ų5145.9 Ų45.925%0.25125%0.247SC..EExtended strand (participates in β ladder)trans-97.6133.2178.3-64.8-177.458.600110I404 L405 E406 L418 L420I404-M500 PolarHBondContact O-N 2.9Å; L405-M500 HydrophobicContact CD1-CB 3.97Å; E406-M500 PolarHBondContact N-O 2.91Å; L418-M500 WeakPolarHBondContact O-CE 3.46Å; L420-M500 HydrophobicContact CD1-SD 4.05Å; L420-M500 HydrophobicContact CD2-SD 3.77Å; L420-M500 HydrophobicContact CG-SD 3.91Å
501D89.6Confident91Very high32 Ų3250.9 Ų50.917%0.17127%0.27CS..PPolyproline II helixtrans-58.1136.1178.7-172.988.6000112.6R471 E538 N541R471-D501 IonicContact CZ-OD1 3.72Å; R471-D501 VanDerWaalsContact CZ-OD1 3.28Å; R471-D501 IonicContact NE-OD1 3.47Å; R471-D501 PolarHBondContact NE-OD1 2.84Å; R471-D501 IonicContact NH1-OD1 3.83Å; R471-D501 IonicContact NH2-OD1 3.96Å; D501-E538 HydrophobicContact CB-CB 4.11Å; D501-E538 WeakPolarHBondContact OD1-CB 3.34Å; D501-E538 PolarHBondContact OD1-N 2.89Å; D501-N541 PolarHBondContact OD2-ND2 3.11Å
502A87.5Confident90.8Very high16 Ų1650 Ų5013%0.13227%0.269CS..  trans-121.9147.7167.500000108.2D504A502-D504 PolarHBondContact O-N 3.18Å
503N90.7Very high90.7Very high13 Ų1348.8 Ų48.87%0.0726%0.262CS..SBendtrans-74.775.2177.1-16354.3000110.2D537 N541 D587 A589 E593 R595N503-D537 WeakPolarHBondContact CA-OD2 3.44Å; N503-D537 PolarHBondContact OD1-OD2 2.76Å; N503-D537 VanDerWaalsContact OD1-OD2 3.04Å; N503-N541 HydrophobicContact CB-CB 4.11Å; N503-N541 WeakPolarHBondContact OD1-CA 3.11Å; N503-N541 WeakPolarHBondContact OD1-CB 3.34Å; N503-N541 PolarHBondContact OD1-O 2.78Å; N503-D587 PolarHBondContact ND2-OD2 2.85Å; N503-A589 HydrophobicContact CB-CB 4.39Å; N503-E593 PolarHBondContact ND2-O 3.23Å; N503-R595 PolarHBondContact O-NE 3.25Å; N503-R595 PolarHBondContact O-NH2 2.67Å
504D88Confident90.6Very high70 Ų7050.1 Ų50.137%0.37427%0.266SS..  trans-113.6-12.6-174.289.8-29.7000114.9A502 D537 R595A502-D504 PolarHBondContact O-N 3.18Å; D504-D537 PolarHBondContact N-OD2 2.78Å; D504-R595 VanDerWaalsContact C-NH1 3.27Å; D504-R595 PolarHBondContact O-NH1 2.81Å
505N90.1Very high90.3Very high54 Ų5452.8 Ų52.829%0.28928%0.278SS..SBendtrans-84.8169.9163.8-68-82.6000110.7E472 D535 D537 R595E472-N505 PolarHBondContact OE2-ND2 3.37Å; N505-D535 WeakPolarHBondContact CB-OD1 3.1Å; N505-D537 VanDerWaalsContact CB-OD1 3.26Å; N505-D537 WeakPolarHBondContact CB-OD1 3.27Å; N505-D537 PolarHBondContact N-OD1 2.97Å; N505-D537 PolarHBondContact N-OD2 3.28Å; N505-D537 VanDerWaalsContact N-OD2 3.14Å; N505-D537 PolarHBondContact ND2-OD1 3.38Å; N505-R595 WeakPolarHBondContact O-CD 3.4Å; N505-R595 PolarHBondContact O-NH1 2.84Å
506T90Very high89.9Confident46 Ų4653.8 Ų53.828%0.28228%0.284SS..  trans-134.7138177-62.30000106.3T508 R595T506-T508 VanDerWaalsContact O-CG2 3.25Å; T506-T508 WeakPolarHBondContact O-CG2 3.39Å; T506-T508 PolarHBondContact O-N 2.84Å; T506-R595 HydrophobicContact CG2-CB 3.99Å; T506-R595 WeakPolarHBondContact OG1-CD 3.25Å
507P93.7Very high89.4Confident0 Ų057.4 Ų57.40%030%0.295CS..  trans-58.3117.9178-20.328.1000108.5A533 D535 I544 A585 D587 S597P507-A533 HydrophobicContact CB-CB 4.42Å; P507-D535 HydrophobicContact CB-CB 4.4Å; P507-D535 WeakPolarHBondContact CD-OD2 3.26Å; P507-D535 HydrophobicContact CG-CB 4.4Å; P507-D535 WeakPolarHBondContact CG-OD2 3.32Å; P507-I544 HydrophobicContact CB-CD1 4.14Å; P507-I544 HydrophobicContact CB-CG1 4.07Å; P507-I544 HydrophobicContact CB-CG2 4.19Å; P507-I544 HydrophobicContact CG-CG1 4.39Å; P507-A585 HydrophobicContact CB-CB 4.01Å; P507-D587 HydrophobicContact CG-CB 3.96Å; P507-S597 WeakPolarHBondContact O-CB 3.38Å; P507-S597 PolarHBondContact O-OG 3.44Å
508T90.8Very high88.9Confident78 Ų7857.4 Ų57.448%0.47930%0.295SS..BIsolated β-bridgetrans-119.4135.1-174.550.90000111.8T506 A533 V534T506-T508 VanDerWaalsContact O-CG2 3.25Å; T506-T508 WeakPolarHBondContact O-CG2 3.39Å; T506-T508 PolarHBondContact O-N 2.84Å; T508-A533 CarbonylContact O-C 3.52Å; T508-A533 WeakPolarHBondContact O-CA 3.31Å; T508-V534 PolarHBondContact N-O 2.83Å; T508-V534 PolarHBondContact O-N 3.5Å; T508-V534 PolarHBondContact OG1-O 2.73Å
509F91.2Very high88.3Confident23 Ų2355.7 Ų55.710%0.10129%0.289CS..  trans-83.1139.4169.7-63.7-79.9000109.9E511 L531 A533 Y546 V583 A585 S597 C599F509-E511 WeakPolarHBondContact CB-O 3.41Å; F509-E511 PolarHBondContact O-N 3.43Å; F509-L531 HydrophobicContact CE1-CB 4.1Å; F509-A533 HydrophobicContact CD1-CB 3.92Å; F509-A533 HydrophobicContact CE1-CB 3.88Å; F509-A533 HydrophobicContact CG-CB 4.33Å; F509-A533 HydrophobicContact CZ-CB 4.26Å; F509-Y546 HydrophobicContact CE1-CD1 4.17Å; F509-Y546 AromaticContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CZ-CD1 4.18Å; F509-Y546 HydrophobicContact CZ-CE1 4.14Å; F509-V583 HydrophobicContact CZ-CG1 4.33Å; F509-A585 HydrophobicContact CE1-CB 4.19Å; F509-A585 HydrophobicContact CE2-CB 3.58Å; F509-A585 HydrophobicContact CZ-CB 3.37Å; F509-S597 WeakPolarHBondContact CD2-OG 3.16Å; F509-C599 HydrophobicContact CB-CB 4.14Å; F509-C599 HydrophobicContact CD1-CB 4.45Å; F509-C599 HydrophobicContact CD2-CB 3.66Å; F509-C599 HydrophobicContact CE2-CB 4.12Å; F509-C599 HydrophobicContact CG-CB 3.83Å
510P87.7Confident87.6Confident90 Ų9057.8 Ų57.858%0.58430%0.302SS*.SBendtrans-58.4-35.7175.3-2632.7000113.6Y514 T532P510-Y514 WeakPolarHBondContact CD-OH 3.45Å; P510-T532 WeakPolarHBondContact CD-O 2.91Å
511E88.9Confident86.8Confident110 Ų11060.5 Ų60.551%0.51432%0.318SS..SBendtrans-119.8143.8178.9-60-71.1170.300110.6F509 S513 Y514F509-E511 WeakPolarHBondContact CB-O 3.41Å; F509-E511 PolarHBondContact O-N 3.43Å; E511-S513 VanDerWaalsContact C-N 3.26Å; E511-S513 PolarHBondContact O-N 2.83Å; E511-Y514 HydrophobicContact CB-CD1 4.29Å; E511-Y514 HydrophobicContact CB-CE1 3.74Å; E511-Y514 HydrophobicContact CB-CE2 4.03Å; E511-Y514 HydrophobicContact CG-CD1 4.48Å; E511-Y514 HydrophobicContact CG-CE1 3.83Å; E511-Y514 PolarHBondContact N-OH 2.98Å
512I85.8Confident86.2Confident147 Ų14761.1 Ų61.175%0.75432%0.32SS*.SBendtrans-71.1-25.4175.257.2169.1000112.3C599 T600I512-C599 WeakPolarHBondContact O-CA 2.98Å; I512-T600 PolarHBondContact O-N 3.25Å; I512-T600 VanDerWaalsContact O-N 3.08Å
513S90.6Very high85.9Confident40 Ų4063.6 Ų63.628%0.2834%0.336SS..EExtended strand (participates in β ladder)trans-151.5148.8177.658.40000112.4E511 T600E511-S513 VanDerWaalsContact C-N 3.26Å; E511-S513 PolarHBondContact O-N 2.83Å; S513-T600 CarbonylContact C-O 3.53Å; S513-T600 WeakPolarHBondContact CA-O 3.3Å; S513-T600 VanDerWaalsContact CB-O 3.26Å; S513-T600 WeakPolarHBondContact CB-O 2.95Å; S513-T600 WeakPolarHBondContact CB-OG1 3.37Å
514Y89.9Confident85.5Confident42 Ų4266.3 Ų66.317%0.16536%0.355CS..EExtended strand (participates in β ladder)trans-122.5130.7177.6-62.9-88.6000109.9P510 E511 I529 L531 T600 V601 Y602P510-Y514 WeakPolarHBondContact CD-OH 3.45Å; E511-Y514 HydrophobicContact CB-CD1 4.29Å; E511-Y514 HydrophobicContact CB-CE1 3.74Å; E511-Y514 HydrophobicContact CB-CE2 4.03Å; E511-Y514 HydrophobicContact CG-CD1 4.48Å; E511-Y514 HydrophobicContact CG-CE1 3.83Å; E511-Y514 PolarHBondContact N-OH 2.98Å; Y514-I529 HydrophobicContact CD1-CD1 3.94Å; Y514-I529 HydrophobicContact CG-CD1 3.87Å; Y514-L531 HydrophobicContact CD2-CD2 3.56Å; Y514-L531 HydrophobicContact CE2-CD2 3.6Å; Y514-L531 HydrophobicContact CG-CD2 4.21Å; Y514-T600 PolarHBondContact N-O 3.23Å; Y514-V601 HydrophobicContact CD2-CG2 4.47Å; Y514-V601 CarbonylContact O-C 3.45Å; Y514-V601 WeakPolarHBondContact O-CA 3.32Å; Y514-Y602 PolarHBondContact O-N 3.04Å
515D86.2Confident85.1Confident116 Ų11665.3 Ų65.362%0.6236%0.361SS*.EExtended strand (participates in β ladder)trans-98.9123173.2-65.6-53.7000109.8Y602D515-Y602 WeakPolarHBondContact OD1-CB 3.49Å
516V86.1Confident84.7Confident21 Ų2165.9 Ų65.913%0.12736%0.364CS..EExtended strand (participates in β ladder)trans-129.5131.5-177-172.10000110V518 V528 I529 V601 Y602 I603 E604V516-V518 HydrophobicContact CG1-CG2 4.18Å; V516-V528 HydrophobicContact CB-CG1 4.36Å; V516-V528 HydrophobicContact CG1-CG1 3.73Å; V516-I529 HydrophobicContact CG2-CB 4.03Å; V516-I529 HydrophobicContact CG2-CD1 3.65Å; V516-I529 HydrophobicContact CG2-CG1 4.38Å; V516-I529 HydrophobicContact CG2-CG2 4.33Å; V516-V601 HydrophobicContact CG2-CG1 4.01Å; V516-Y602 PolarHBondContact N-O 2.88Å; V516-I603 VanDerWaalsContact O-CA 3.29Å; V516-I603 WeakPolarHBondContact O-CA 3.45Å; V516-E604 PolarHBondContact O-N 2.82Å
517Y82.1Confident84.4Confident129 Ų12967.4 Ų67.451%0.50638%0.376SS..EExtended strand (participates in β ladder)trans-99.9126.8172.6-56.6-75.2000109.7E604 L606Y517-E604 WeakPolarHBondContact CA-O 3.26Å; Y517-E604 HydrophobicContact CD1-CB 3.96Å; Y517-E604 HydrophobicContact CD1-CG 4.47Å; Y517-E604 HydrophobicContact CE1-CB 4.19Å; Y517-L606 HydrophobicContact CD1-CD1 3.55Å; Y517-L606 HydrophobicContact CD1-CG 3.98Å; Y517-L606 HydrophobicContact CE1-CD1 4.31Å; Y517-L606 HydrophobicContact CG-CD1 3.83Å
518V82.6Confident84.1Confident1 Ų168.3 Ų68.31%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-117.2140.7-179.5-178.60000107.6V516 M522 V528 I567 L573 I603 E604 V605 L606V516-V518 HydrophobicContact CG1-CG2 4.18Å; V518-M522 HydrophobicContact CB-SD 4.12Å; V518-M522 HydrophobicContact CG1-CB 4.49Å; V518-M522 HydrophobicContact CG1-CE 4.06Å; V518-M522 HydrophobicContact CG1-CG 4.43Å; V518-M522 HydrophobicContact CG1-SD 3.36Å; V518-M522 WeakPolarHBondContact CG1-SD 3.18Å; V518-V528 HydrophobicContact CG2-CG1 3.79Å; V518-V528 HydrophobicContact CG2-CG2 4.32Å; V518-I567 HydrophobicContact CG1-CD1 4.21Å; V518-L573 HydrophobicContact CB-CD1 4.41Å; V518-L573 HydrophobicContact CG1-CD1 3.25Å; V518-I603 HydrophobicContact CB-CG2 4.01Å; V518-I603 HydrophobicContact CG2-CG2 3.44Å; V518-I603 VanDerWaalsContact CG2-CG2 3.44Å; V518-E604 PolarHBondContact N-O 2.84Å; V518-V605 CarbonylContact O-C 3.49Å; V518-V605 WeakPolarHBondContact O-CA 3.26Å; V518-L606 PolarHBondContact O-N 2.88Å
519Y80.3Confident83.9Confident85 Ų8566 Ų6633%0.33337%0.367SS..EExtended strand (participates in β ladder)trans-103.8148.1-175.6-57.9-83.5000110.9D521 M522 L606Y519-D521 WeakPolarHBondContact CB-OD1 3.43Å; Y519-D521 PolarHBondContact O-N 2.8Å; Y519-D521 VanDerWaalsContact O-N 3.17Å; Y519-M522 PolarHBondContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact O-CB 3.31Å; Y519-M522 WeakPolarHBondContact O-CB 3.41Å; Y519-M522 WeakPolarHBondContact O-CG 3.18Å; Y519-M522 PolarHBondContact O-N 2.93Å; Y519-L606 WeakPolarHBondContact CA-O 3.34Å; Y519-L606 HydrophobicContact CD1-CB 3.98Å; Y519-L606 HydrophobicContact CE1-CB 3.94Å; Y519-L606 HydrophobicContact CE1-CD1 4.49Å
520T77.3Confident83.9Confident50 Ų5070.6 Ų70.631%0.30739%0.388SS..THydrogen-bonded Turntrans-67.2-11.7-17848.60000115.6L573 V575 V605 L606T520-L573 WeakPolarHBondContact CG2-O 3.34Å; T520-V575 HydrophobicContact CG2-CB 4.27Å; T520-V575 HydrophobicContact CG2-CG2 3.35Å; T520-V605 HydrophobicContact CG2-CG1 3.44Å; T520-V605 VanDerWaalsContact CG2-CG1 3.44Å; T520-L606 PolarHBondContact N-O 2.95Å
521D72.8Confident84Confident108 Ų10866.3 Ų66.358%0.57836%0.36SS*.THydrogen-bonded Turntrans-902.4172.760.7-20.1000113.5Y519Y519-D521 WeakPolarHBondContact CB-OD1 3.43Å; Y519-D521 PolarHBondContact O-N 2.8Å; Y519-D521 VanDerWaalsContact O-N 3.17Å
522M78.4Confident84Confident45 Ų4564.7 Ų64.722%0.22236%0.358CS..PPolyproline II helixtrans-70.9137.6173.1-67.1-178.86300111.6V518 Y519 D526 I567V518-M522 HydrophobicContact CB-SD 4.12Å; V518-M522 HydrophobicContact CG1-CB 4.49Å; V518-M522 HydrophobicContact CG1-CE 4.06Å; V518-M522 HydrophobicContact CG1-CG 4.43Å; V518-M522 HydrophobicContact CG1-SD 3.36Å; V518-M522 WeakPolarHBondContact CG1-SD 3.18Å; Y519-M522 PolarHBondContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact O-CB 3.31Å; Y519-M522 WeakPolarHBondContact O-CB 3.41Å; Y519-M522 WeakPolarHBondContact O-CG 3.18Å; Y519-M522 PolarHBondContact O-N 2.93Å; M522-D526 WeakPolarHBondContact CA-OD2 3.16Å; M522-D526 HydrophobicContact CB-CB 4.46Å; M522-D526 HydrophobicContact CE-CB 3.78Å; M522-I567 HydrophobicContact CB-CD1 3.69Å; M522-I567 HydrophobicContact CE-CD1 4.13Å
523S80.5Confident84.2Confident68 Ų6858.2 Ų58.248%0.47633%0.326SS..PPolyproline II helixtrans-91152-177.7-640000111.8G525 D526S523-G525 PolarHBondContact O-N 2.91Å; S523-D526 PolarHBondContact N-OD2 3.03Å; S523-D526 VanDerWaalsContact O-CB 3.29Å; S523-D526 WeakPolarHBondContact O-CB 3.49Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 3.49Å
524P82.2Confident84.1Confident70 Ų7060.6 Ų60.646%0.45534%0.339SS..THydrogen-bonded Turntrans-54.9130171.5-24.333.2000111.5
525G80.3Confident84.2Confident49 Ų4959.7 Ų59.751%0.50534%0.337SS..THydrogen-bonded Turntrans96.2-12.7-173.300000115S523 I567S523-G525 PolarHBondContact O-N 2.91Å; G525-I567 PolarHBondContact N-O 3.44Å
526D81.7Confident84.4Confident66 Ų6656.4 Ų56.435%0.35333%0.326SS..  trans-61.9139.8173.5-72.7-12.1000110.5M522 S523 V528 S566 I567M522-D526 WeakPolarHBondContact CA-OD2 3.16Å; M522-D526 HydrophobicContact CB-CB 4.46Å; M522-D526 HydrophobicContact CE-CB 3.78Å; S523-D526 PolarHBondContact N-OD2 3.03Å; S523-D526 VanDerWaalsContact O-CB 3.29Å; S523-D526 WeakPolarHBondContact O-CB 3.49Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 3.49Å; D526-V528 PolarHBondContact O-N 3.21Å; D526-S566 WeakPolarHBondContact O-CA 3.16Å; D526-S566 WeakPolarHBondContact O-CB 3.38Å; D526-I567 HydrophobicContact CB-CD1 4.4Å; D526-I567 PolarHBondContact O-N 3.14Å; D526-I567 VanDerWaalsContact O-N 3.16Å
527S83.6Confident84.7Confident77 Ų7756 Ų5654%0.53832%0.323SS..EExtended strand (participates in β ladder)trans-71.3126.6178.3530000110.4
528V86.5Confident85Confident20 Ų2054.6 Ų54.612%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-89-57.9175.3175.50000109.5V516 V518 D526 F556 V565 I567 I603V516-V528 HydrophobicContact CB-CG1 4.36Å; V516-V528 HydrophobicContact CG1-CG1 3.73Å; V518-V528 HydrophobicContact CG2-CG1 3.79Å; V518-V528 HydrophobicContact CG2-CG2 4.32Å; D526-V528 PolarHBondContact O-N 3.21Å; V528-F556 HydrophobicContact CG2-CD1 3.91Å; V528-F556 HydrophobicContact CG2-CE1 3.77Å; V528-V565 HydrophobicContact CB-CG1 4.36Å; V528-V565 PolarHBondContact N-O 3.1Å; V528-I567 HydrophobicContact CG2-CG1 3.88Å; V528-I603 HydrophobicContact CG1-CD1 3.88Å; V528-I603 HydrophobicContact CG1-CG1 4.4Å
529I87.7Confident85.2Confident30 Ų3057.2 Ų57.215%0.15435%0.349CS..EExtended strand (participates in β ladder)trans-155.1146.2179.9-173.7164.4000108.7Y514 V516 L531 V565 V601Y514-I529 HydrophobicContact CD1-CD1 3.94Å; Y514-I529 HydrophobicContact CG-CD1 3.87Å; V516-I529 HydrophobicContact CG2-CB 4.03Å; V516-I529 HydrophobicContact CG2-CD1 3.65Å; V516-I529 HydrophobicContact CG2-CG1 4.38Å; V516-I529 HydrophobicContact CG2-CG2 4.33Å; I529-L531 HydrophobicContact CD1-CD2 4.26Å; I529-L531 HydrophobicContact CG1-CD2 4.46Å; I529-V565 HydrophobicContact CG2-CB 3.92Å; I529-V565 HydrophobicContact CG2-CG2 4.09Å; I529-V565 PolarHBondContact N-O 3.36Å; I529-V565 WeakPolarHBondContact O-CA 3.39Å; I529-V565 WeakPolarHBondContact O-CB 3.36Å; I529-V565 PolarHBondContact O-N 3.4Å; I529-V601 HydrophobicContact CG2-CG1 4.1Å
530Q89.7Confident85.5Confident118 Ų11856.3 Ų56.355%0.55135%0.354SS*.EExtended strand (participates in β ladder)trans-103.2115168-173.1170.66.900108.5T562 L564Q530-T562 PolarHBondContact NE2-O 2.83Å; Q530-L564 HydrophobicContact CB-CD1 3.89Å; Q530-L564 HydrophobicContact CG-CD1 4.34Å
531L90.3Very high86.1Confident1 Ų155.1 Ų55.11%0.00535%0.346CS..  trans-85.6136.4174.5-64.1172.9000109.4F509 Y514 I529 I558 G563 V565 V583 V601F509-L531 HydrophobicContact CE1-CB 4.1Å; Y514-L531 HydrophobicContact CD2-CD2 3.56Å; Y514-L531 HydrophobicContact CE2-CD2 3.6Å; Y514-L531 HydrophobicContact CG-CD2 4.21Å; I529-L531 HydrophobicContact CD1-CD2 4.26Å; I529-L531 HydrophobicContact CG1-CD2 4.46Å; L531-I558 HydrophobicContact CD1-CD1 4.17Å; L531-G563 PolarHBondContact N-O 3.06Å; L531-G563 WeakPolarHBondContact O-CA 3.41Å; L531-V565 HydrophobicContact CD1-CG2 4.13Å; L531-V565 HydrophobicContact CG-CG2 4.45Å; L531-V583 HydrophobicContact CD1-CB 3.87Å; L531-V583 HydrophobicContact CD1-CG1 3.74Å; L531-V583 HydrophobicContact CD1-CG2 3.75Å; L531-V601 HydrophobicContact CD1-CG2 3.99Å; L531-V601 HydrophobicContact CD2-CG2 4.02Å; L531-V601 HydrophobicContact CG-CG2 4.49Å
532T88.8Confident86.7Confident76 Ų7650.8 Ų50.847%0.46633%0.327SS..  trans-130.3106.6176.155.40000108.2P510P510-T532 WeakPolarHBondContact CD-O 2.91Å
533A90.1Very high87.3Confident10 Ų1053.7 Ų53.78%0.08334%0.34CS..  trans-85.8155.1162.300000109.4P507 T508 F509 I544 Y546 A585P507-A533 HydrophobicContact CB-CB 4.42Å; T508-A533 CarbonylContact O-C 3.52Å; T508-A533 WeakPolarHBondContact O-CA 3.31Å; F509-A533 HydrophobicContact CD1-CB 3.92Å; F509-A533 HydrophobicContact CE1-CB 3.88Å; F509-A533 HydrophobicContact CG-CB 4.33Å; F509-A533 HydrophobicContact CZ-CB 4.26Å; A533-I544 VanDerWaalsContact C-CD1 3.45Å; A533-I544 HydrophobicContact CB-CD1 3.92Å; A533-I544 HydrophobicContact CB-CG2 4.29Å; A533-I544 WeakPolarHBondContact O-CD1 3.48Å; A533-Y546 HydrophobicContact CB-CE1 3.95Å; A533-Y546 PolarHBondContact N-OH 2.98Å; A533-A585 HydrophobicContact CB-CB 3.65Å
534V89.2Confident87.8Confident91 Ų9151.8 Ų51.855%0.55233%0.325SS*.BIsolated β-bridgetrans-121.6134.4177.9-1740000108.4T508T508-V534 PolarHBondContact N-O 2.83Å; T508-V534 PolarHBondContact O-N 3.5Å; T508-V534 PolarHBondContact OG1-O 2.73Å
535D92.4Very high88.3Confident22 Ų2248.9 Ų48.912%0.11831%0.306CS..  trans-134.8131.8173-159.2-36.7000106.9N505 P507 D537 I544N505-D535 WeakPolarHBondContact CB-OD1 3.1Å; P507-D535 HydrophobicContact CB-CB 4.4Å; P507-D535 WeakPolarHBondContact CD-OD2 3.26Å; P507-D535 HydrophobicContact CG-CB 4.4Å; P507-D535 WeakPolarHBondContact CG-OD2 3.32Å; D535-D537 PolarHBondContact OD1-N 3.31Å; D535-I544 HydrophobicContact CB-CD1 3.92Å; D535-I544 HydrophobicContact CB-CG1 3.95Å
536A89.9Confident88.9Confident48 Ų4847.4 Ų47.440%0.39729%0.285SS..  trans-94.2-12.2-17200000112.8R471 E472R471-A536 PolarHBondContact NH2-O 3.34Å; E472-A536 HydrophobicContact CG-CB 3.59Å
537D92.6Very high89.4Confident11 Ų1149.5 Ų49.56%0.05929%0.293CS..SBendtrans-66.6162.7-178.7-63.5-18.7000112.2N503 D504 N505 D535 N541 G542N503-D537 WeakPolarHBondContact CA-OD2 3.44Å; N503-D537 PolarHBondContact OD1-OD2 2.76Å; N503-D537 VanDerWaalsContact OD1-OD2 3.04Å; D504-D537 PolarHBondContact N-OD2 2.78Å; N505-D537 VanDerWaalsContact CB-OD1 3.26Å; N505-D537 WeakPolarHBondContact CB-OD1 3.27Å; N505-D537 PolarHBondContact N-OD1 2.97Å; N505-D537 PolarHBondContact N-OD2 3.28Å; N505-D537 VanDerWaalsContact N-OD2 3.14Å; N505-D537 PolarHBondContact ND2-OD1 3.38Å; D535-D537 PolarHBondContact OD1-N 3.31Å; D537-N541 HydrophobicContact CB-CB 3.45Å; D537-N541 VanDerWaalsContact CB-CB 3.45Å; D537-G542 VanDerWaalsContact O-CA 3.24Å; D537-G542 WeakPolarHBondContact O-CA 3.39Å; D537-G542 PolarHBondContact O-N 2.91Å
538E87.3Confident89.8Confident101 Ų10147.6 Ų47.647%0.47228%0.276SS..  trans-88.6145.4-179.1-163.4175.8175.500114R471 D501 S540 N541R471-E538 IonicContact NH1-OE2 3.85Å; R471-E538 PolarHBondContact NH1-OE2 3.23Å; D501-E538 HydrophobicContact CB-CB 4.11Å; D501-E538 WeakPolarHBondContact OD1-CB 3.34Å; D501-E538 PolarHBondContact OD1-N 2.89Å; E538-S540 PolarHBondContact O-N 3.19Å; E538-N541 WeakPolarHBondContact O-CB 3.12Å; E538-N541 PolarHBondContact O-N 2.02Å; E538-N541 VanDerWaalsContact O-N 3.17Å
539G87.3Confident89.9Confident56 Ų5650.8 Ų50.858%0.57729%0.292SS*.THydrogen-bonded Turntrans63.3-128167.900000112N541 G542 E543G539-N541 PolarHBondContact O-N 3.1Å; G539-G542 PolarHBondContact O-N 3.01Å; G539-E543 WeakPolarHBondContact O-CB 3.17Å; G539-E543 PolarHBondContact O-N 3.29Å
540S87.7Confident89.9Confident65 Ų6553.9 Ų53.946%0.45531%0.312SS..THydrogen-bonded Turntrans-69.6-19.7-178.8-62.40000113.6E538 N588 A589E538-S540 PolarHBondContact O-N 3.19Å; S540-N588 CarbonylContact O-C 3.56Å; S540-N588 VanDerWaalsContact O-CA 3.29Å; S540-N588 WeakPolarHBondContact O-CA 3.32Å; S540-N588 WeakPolarHBondContact O-CB 3.23Å; S540-N588 PolarHBondContact O-N 2.99Å; S540-A589 PolarHBondContact O-N 2.78Å; S540-A589 VanDerWaalsContact O-N 3.1Å
541N88.3Confident89.5Confident25 Ų2549.5 Ų49.513%0.13430%0.298CS..THydrogen-bonded Turntrans-72.8-39.4175.3-66.7-11000110.5D501 N503 D537 E538 G539 D587 A589D501-N541 PolarHBondContact OD2-ND2 3.11Å; N503-N541 HydrophobicContact CB-CB 4.11Å; N503-N541 WeakPolarHBondContact OD1-CA 3.11Å; N503-N541 WeakPolarHBondContact OD1-CB 3.34Å; N503-N541 PolarHBondContact OD1-O 2.78Å; D537-N541 HydrophobicContact CB-CB 3.45Å; D537-N541 VanDerWaalsContact CB-CB 3.45Å; E538-N541 WeakPolarHBondContact O-CB 3.12Å; E538-N541 PolarHBondContact O-N 2.02Å; E538-N541 VanDerWaalsContact O-N 3.17Å; G539-N541 PolarHBondContact O-N 3.1Å; N541-D587 WeakPolarHBondContact O-CB 3.31Å; N541-A589 WeakPolarHBondContact OD1-CB 3.47Å
542G86.3Confident88.5Confident18 Ų1849.7 Ų49.719%0.18630%0.301CS..THydrogen-bonded Turntrans-89.5-6.4173.800000116.1D537 G539 I544D537-G542 VanDerWaalsContact O-CA 3.24Å; D537-G542 WeakPolarHBondContact O-CA 3.39Å; D537-G542 PolarHBondContact O-N 2.91Å; G539-G542 PolarHBondContact O-N 3.01Å; G542-I544 PolarHBondContact O-N 3.42Å
543E90.3Very high88Confident105 Ų10554 Ų5449%0.49131%0.314SS..  trans-80.6107.2-176.5-170.8-174.3-162.100111.6G539 D587 N588G539-E543 WeakPolarHBondContact O-CB 3.17Å; G539-E543 PolarHBondContact O-N 3.29Å; E543-D587 CarbonylContact O-C 3.5Å; E543-D587 WeakPolarHBondContact O-CA 3.46Å; E543-N588 HydrophobicContact CB-CB 4.32Å; E543-N588 WeakPolarHBondContact CG-ND2 3.45Å; E543-N588 PolarHBondContact O-N 2.87Å; E543-N588 VanDerWaalsContact O-N 3.08Å; E543-N588 PolarHBondContact OE2-ND2 2.96Å
544I91.7Very high87.5Confident29 Ų2956.1 Ų56.115%0.14934%0.336CS..  trans-86.9138.6-172.7-52.2173.8000112.1P507 A533 D535 G542 Y546 A585P507-I544 HydrophobicContact CB-CD1 4.14Å; P507-I544 HydrophobicContact CB-CG1 4.07Å; P507-I544 HydrophobicContact CB-CG2 4.19Å; P507-I544 HydrophobicContact CG-CG1 4.39Å; A533-I544 VanDerWaalsContact C-CD1 3.45Å; A533-I544 HydrophobicContact CB-CD1 3.92Å; A533-I544 HydrophobicContact CB-CG2 4.29Å; A533-I544 WeakPolarHBondContact O-CD1 3.48Å; D535-I544 HydrophobicContact CB-CD1 3.92Å; D535-I544 HydrophobicContact CB-CG1 3.95Å; G542-I544 PolarHBondContact O-N 3.42Å; I544-Y546 HydrophobicContact CG2-CE1 4.11Å; I544-Y546 HydrophobicContact CG2-CE2 4.02Å; I544-A585 HydrophobicContact CG2-CB 3.74Å
545S92.9Very high87.3Confident9 Ų953.3 Ų53.36%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-122.3134.5169.8600000112.2K560 A585 S586S545-K560 WeakPolarHBondContact CA-O 3.26Å; S545-A585 WeakPolarHBondContact O-CA 3.5Å; S545-S586 PolarHBondContact N-O 3.32Å; S545-S586 PolarHBondContact O-N 3.31Å; S545-S586 PolarHBondContact OG-O 3.37Å; S545-S586 PolarHBondContact OG-OG 2.88Å; S545-S586 VanDerWaalsContact OG-OG 3.08Å
546Y93.4Very high87.1Confident17 Ų1752.7 Ų52.77%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-104.1139.5-176.8-58.4-87000112.7F509 A533 I544 I558 K560 G563 Q584 A585F509-Y546 HydrophobicContact CE1-CD1 4.17Å; F509-Y546 AromaticContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CZ-CD1 4.18Å; F509-Y546 HydrophobicContact CZ-CE1 4.14Å; A533-Y546 HydrophobicContact CB-CE1 3.95Å; A533-Y546 PolarHBondContact N-OH 2.98Å; I544-Y546 HydrophobicContact CG2-CE1 4.11Å; I544-Y546 HydrophobicContact CG2-CE2 4.02Å; Y546-I558 HydrophobicContact CG-CD1 4.41Å; Y546-K560 PolarHBondContact N-O 2.8Å; Y546-K560 WeakPolarHBondContact O-CA 3.42Å; Y546-G563 VanDerWaalsContact CD2-CA 3.48Å; Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; Y546-A585 HydrophobicContact CD1-CB 4.1Å; Y546-A585 HydrophobicContact CE1-CB 4.03Å
547E92.5Very high87.1Confident111 Ų11153.6 Ų53.652%0.51931%0.314SS..EExtended strand (participates in β ladder)trans-144.7137.6176.7-176.2169.4-178.700111.5V583 Q584E547-V583 CarbonylContact O-C 3.58Å; E547-V583 WeakPolarHBondContact O-CA 3.4Å; E547-Q584 PolarHBondContact N-O 3.09Å; E547-Q584 PolarHBondContact O-N 2.81Å
548I90.6Very high87.1Confident36 Ų3654.5 Ų54.519%0.18532%0.319CS..EExtended strand (participates in β ladder)trans-84114.1168.9-66.8159000107.8I558 L581 V583I548-I558 HydrophobicContact CB-CG2 4.39Å; I548-I558 HydrophobicContact CD1-CB 3.72Å; I548-I558 HydrophobicContact CD1-CG2 3.82Å; I548-I558 HydrophobicContact CG1-CB 3.87Å; I548-I558 HydrophobicContact CG1-CG2 3.63Å; I548-L581 HydrophobicContact CD1-CD2 4.08Å; I548-L581 HydrophobicContact CG1-CD2 4.43Å; I548-V583 HydrophobicContact CG1-CG2 4.06Å
549L89.6Confident87.3Confident88 Ų8853 Ų5346%0.46131%0.314SS..EExtended strand (participates in β ladder)trans-77.3-46.6177.9-69.9178.4000112T582 Q584 I598L549-T582 HydrophobicContact CD1-CG2 4.49Å; L549-T582 PolarHBondContact N-O 3.45Å; L549-Q584 HydrophobicContact CD1-CB 3.88Å; L549-Q584 HydrophobicContact CD2-CB 4.46Å; L549-Q584 HydrophobicContact CG-CB 3.94Å; L549-I598 HydrophobicContact CD1-CG2 3.99Å
550V87.1Confident87.4Confident95 Ų9556.6 Ų56.658%0.57631%0.314SS*.EExtended strand (participates in β ladder)trans-155.8166.1-177.1930000111.6G552 L581 T582V550-G552 PolarHBondContact O-N 3.36Å; V550-L581 WeakPolarHBondContact O-CA 3.48Å; V550-T582 PolarHBondContact O-N 3.2Å
551G80.6Confident87.4Confident25 Ų2558.6 Ų58.626%0.25832%0.324SS..SBendtrans94-18.9170.100000115.6K553 A580G551-K553 VanDerWaalsContact C-N 3.3Å; G551-K553 PolarHBondContact O-N 3.27Å; G551-A580 WeakPolarHBondContact CA-O 3.46Å
552G71Confident87.3Confident6 Ų660.3 Ų60.36%0.06234%0.335CS..  trans-69.7-18.8-179.400000115.3V550 G554 D555V550-G552 PolarHBondContact O-N 3.36Å; G552-G554 PolarHBondContact O-N 2.87Å; G552-D555 PolarHBondContact O-N 2.86Å
553K77.3Confident87.4Confident167 Ų16759.4 Ų59.473%0.72633%0.326SS*.THydrogen-bonded Turntrans49.29.9-174.4-70.7-178.7-176.7165.10116.3G551 D555 Y579G551-K553 VanDerWaalsContact C-N 3.3Å; G551-K553 PolarHBondContact O-N 3.27Å; K553-D555 VanDerWaalsContact C-N 3.31Å; K553-Y579 HydrophobicContact CB-CE1 4.41Å; K553-Y579 HydrophobicContact CD-CE1 4.19Å
554G79Confident87.4Confident53 Ų5357.1 Ų57.155%0.54632%0.317SS..THydrogen-bonded Turntrans86.5-3.2-170.200000114G552 A568G552-G554 PolarHBondContact O-N 2.87Å; G554-A568 WeakPolarHBondContact O-CB 3.37Å
555D85.3Confident87.4Confident33 Ų3355.7 Ų55.718%0.17631%0.31CS..THydrogen-bonded Turntrans-81-18-177.4-61.6-37.1000113.3G552 K553 A568 V571 Y579G552-D555 PolarHBondContact O-N 2.86Å; K553-D555 VanDerWaalsContact C-N 3.31Å; D555-A568 WeakPolarHBondContact O-CB 3.43Å; D555-A568 PolarHBondContact O-N 3.16Å; D555-V571 HydrophobicContact CB-CG1 3.88Å; D555-V571 VanDerWaalsContact OD1-CG1 3.29Å; D555-V571 WeakPolarHBondContact OD1-CG1 3.29Å; D555-Y579 HydrophobicContact CB-CE1 4.02Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.17Å; D555-Y579 PolarHBondContact OD2-OH 2.84Å; D555-Y579 VanDerWaalsContact OD2-OH 3.06Å
556F89.4Confident87.1Confident8 Ų856.3 Ų56.34%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-132.7144178.7-57.8-78.8000110.8V528 V565 S566 I567 L573 Y579 L581 I603V528-F556 HydrophobicContact CG2-CD1 3.91Å; V528-F556 HydrophobicContact CG2-CE1 3.77Å; F556-V565 HydrophobicContact CB-CG1 4.14Å; F556-V565 HydrophobicContact CD1-CG1 4.45Å; F556-S566 WeakPolarHBondContact CA-O 3.18Å; F556-I567 HydrophobicContact CD1-CG1 4.48Å; F556-I567 HydrophobicContact CE1-CG1 4.12Å; F556-L573 HydrophobicContact CZ-CD2 4.17Å; F556-Y579 HydrophobicContact CD2-CD1 4.27Å; F556-Y579 HydrophobicContact CD2-CG 4.38Å; F556-Y579 AromaticContact CE2-CD1 3.72Å; F556-Y579 HydrophobicContact CE2-CD1 3.72Å; F556-Y579 AromaticContact CE2-CD2 3.63Å; F556-Y579 HydrophobicContact CE2-CD2 3.63Å; F556-Y579 AromaticContact CE2-CE1 3.95Å; F556-Y579 HydrophobicContact CE2-CE1 3.95Å; F556-Y579 AromaticContact CE2-CE2 3.88Å; F556-Y579 HydrophobicContact CE2-CE2 3.88Å; F556-Y579 AromaticContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CZ-CD2 4.07Å; F556-Y579 HydrophobicContact CZ-CE2 4.22Å; F556-Y579 HydrophobicContact CZ-CG 4.42Å; F556-L581 HydrophobicContact CB-CD2 3.73Å; F556-L581 HydrophobicContact CD2-CD1 4.16Å; F556-L581 HydrophobicContact CD2-CD2 4.14Å; F556-L581 HydrophobicContact CG-CD2 4.09Å; F556-I603 HydrophobicContact CD1-CD1 4.07Å; F556-I603 HydrophobicContact CD2-CD1 4.14Å; F556-I603 HydrophobicContact CE1-CD1 3.75Å; F556-I603 HydrophobicContact CE2-CD1 3.83Å; F556-I603 HydrophobicContact CG-CD1 4.26Å; F556-I603 HydrophobicContact CZ-CD1 3.62Å; F556-I603 HydrophobicContact CZ-CG2 4.14Å
557V89.7Confident86.8Confident67 Ų6755.6 Ų55.641%0.40631%0.311SS..EExtended strand (participates in β ladder)trans-123.8146174.1-680000109.5V565 S566 A568V557-V565 WeakPolarHBondContact O-CA 3.33Å; V557-S566 PolarHBondContact N-O 2.87Å; V557-S566 PolarHBondContact O-N 2.62Å; V557-A568 HydrophobicContact CG1-CB 4.09Å
558I91.5Very high86.4Confident31 Ų3150.6 Ų50.616%0.15929%0.289CS..EExtended strand (participates in β ladder)trans-112.9138.6174.3-165.4163.6000110.2L531 Y546 I548 L564 V565 V583L531-I558 HydrophobicContact CD1-CD1 4.17Å; Y546-I558 HydrophobicContact CG-CD1 4.41Å; I548-I558 HydrophobicContact CB-CG2 4.39Å; I548-I558 HydrophobicContact CD1-CB 3.72Å; I548-I558 HydrophobicContact CD1-CG2 3.82Å; I548-I558 HydrophobicContact CG1-CB 3.87Å; I548-I558 HydrophobicContact CG1-CG2 3.63Å; I558-L564 WeakPolarHBondContact CA-O 3.43Å; I558-V565 HydrophobicContact CB-CG2 4.31Å; I558-V565 HydrophobicContact CD1-CG2 3.8Å; I558-V565 HydrophobicContact CG1-CG2 3.96Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.39Å
559N91.5Very high86Confident70 Ų7054.3 Ų54.337%0.37432%0.315SS..  trans-77.5122.1169.6-175.1-59.1000110.1T561 T562 G563 L564N559-T561 PolarHBondContact O-N 2.82Å; N559-T561 VanDerWaalsContact O-N 3.17Å; N559-T561 PolarHBondContact OD1-N 2.98Å; N559-T561 PolarHBondContact OD1-OG1 2.89Å; N559-T562 VanDerWaalsContact CB-OG1 3.22Å; N559-T562 WeakPolarHBondContact CB-OG1 3.26Å; N559-T562 PolarHBondContact O-N 2.91Å; N559-T562 PolarHBondContact OD1-N 2.82Å; N559-T562 PolarHBondContact OD1-OG1 2.92Å; N559-G563 PolarHBondContact O-N 3.11Å; N559-L564 HydrophobicContact CB-CB 4.41Å; N559-L564 PolarHBondContact N-O 2.89Å
560K89.8Confident85.5Confident130 Ų13053.8 Ų53.857%0.56533%0.331SS*.THydrogen-bonded Turntrans-58.9-29.4-176-172.7170.6-178.3174.60114.2S545 Y546S545-K560 WeakPolarHBondContact CA-O 3.26Å; Y546-K560 PolarHBondContact N-O 2.8Å; Y546-K560 WeakPolarHBondContact O-CA 3.42Å
561T87.2Confident85.2Confident108 Ų10850.5 Ų50.566%0.66331%0.311SS*.THydrogen-bonded Turntrans-99.5-34.4-177.338.20000113.9N559N559-T561 PolarHBondContact O-N 2.82Å; N559-T561 VanDerWaalsContact O-N 3.17Å; N559-T561 PolarHBondContact OD1-N 2.98Å; N559-T561 PolarHBondContact OD1-OG1 2.89Å
562T87.1Confident84.9Confident60 Ų6058 Ų5837%0.36834%0.339SS..THydrogen-bonded Turntrans-101.1-9.9-173.9670000114.3Q530 N559 L564Q530-T562 PolarHBondContact NE2-O 2.83Å; N559-T562 VanDerWaalsContact CB-OG1 3.22Å; N559-T562 WeakPolarHBondContact CB-OG1 3.26Å; N559-T562 PolarHBondContact O-N 2.91Å; N559-T562 PolarHBondContact OD1-N 2.82Å; N559-T562 PolarHBondContact OD1-OG1 2.92Å; T562-L564 PolarHBondContact O-N 3.23Å; T562-L564 VanDerWaalsContact O-N 3.16Å; T562-L564 WeakPolarHBondContact OG1-CB 3.12Å; T562-L564 PolarHBondContact OG1-N 3.48Å
563G88.3Confident85.2Confident0 Ų058.6 Ų58.60%034%0.341CS..  trans66.89.9-175.700000114.1L531 Y546 N559 V565L531-G563 PolarHBondContact N-O 3.06Å; L531-G563 WeakPolarHBondContact O-CA 3.41Å; Y546-G563 VanDerWaalsContact CD2-CA 3.48Å; N559-G563 PolarHBondContact O-N 3.11Å; G563-V565 PolarHBondContact O-N 3.31Å
564L91.1Very high85.3Confident56 Ų5655.5 Ų55.529%0.29333%0.332SS..EExtended strand (participates in β ladder)trans-74.1117.4180-175.368.2000110.5Q530 I558 N559 T562Q530-L564 HydrophobicContact CB-CD1 3.89Å; Q530-L564 HydrophobicContact CG-CD1 4.34Å; I558-L564 WeakPolarHBondContact CA-O 3.43Å; N559-L564 HydrophobicContact CB-CB 4.41Å; N559-L564 PolarHBondContact N-O 2.89Å; T562-L564 PolarHBondContact O-N 3.23Å; T562-L564 VanDerWaalsContact O-N 3.16Å; T562-L564 WeakPolarHBondContact OG1-CB 3.12Å; T562-L564 PolarHBondContact OG1-N 3.48Å
565V89.9Confident85.1Confident0 Ų056.9 Ų56.90%033%0.33CS..EExtended strand (participates in β ladder)trans-90.3124.5170.2-1770000108.7V528 I529 L531 F556 V557 I558 G563 L581V528-V565 HydrophobicContact CB-CG1 4.36Å; V528-V565 PolarHBondContact N-O 3.1Å; I529-V565 HydrophobicContact CG2-CB 3.92Å; I529-V565 HydrophobicContact CG2-CG2 4.09Å; I529-V565 PolarHBondContact N-O 3.36Å; I529-V565 WeakPolarHBondContact O-CA 3.39Å; I529-V565 WeakPolarHBondContact O-CB 3.36Å; I529-V565 PolarHBondContact O-N 3.4Å; L531-V565 HydrophobicContact CD1-CG2 4.13Å; L531-V565 HydrophobicContact CG-CG2 4.45Å; F556-V565 HydrophobicContact CB-CG1 4.14Å; F556-V565 HydrophobicContact CD1-CG1 4.45Å; V557-V565 WeakPolarHBondContact O-CA 3.33Å; I558-V565 HydrophobicContact CB-CG2 4.31Å; I558-V565 HydrophobicContact CD1-CG2 3.8Å; I558-V565 HydrophobicContact CG1-CG2 3.96Å; G563-V565 PolarHBondContact O-N 3.31Å; V565-L581 HydrophobicContact CG1-CD2 4.36Å
566S87.9Confident84.8Confident22 Ų2258 Ų5815%0.15435%0.349CS..EExtended strand (participates in β ladder)trans-131.2160.317760.20000111.7D526 F556 V557 A568D526-S566 WeakPolarHBondContact O-CA 3.16Å; D526-S566 WeakPolarHBondContact O-CB 3.38Å; F556-S566 WeakPolarHBondContact CA-O 3.18Å; V557-S566 PolarHBondContact N-O 2.87Å; V557-S566 PolarHBondContact O-N 2.62Å; S566-A568 PolarHBondContact O-N 2.66Å
567I86.6Confident84.5Confident2 Ų260.8 Ų60.81%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-65.9129175.5-59.2168.1000108.6V518 M522 G525 D526 V528 F556 V571 L573V518-I567 HydrophobicContact CG1-CD1 4.21Å; M522-I567 HydrophobicContact CB-CD1 3.69Å; M522-I567 HydrophobicContact CE-CD1 4.13Å; G525-I567 PolarHBondContact N-O 3.44Å; D526-I567 HydrophobicContact CB-CD1 4.4Å; D526-I567 PolarHBondContact O-N 3.14Å; D526-I567 VanDerWaalsContact O-N 3.16Å; V528-I567 HydrophobicContact CG2-CG1 3.88Å; F556-I567 HydrophobicContact CD1-CG1 4.48Å; F556-I567 HydrophobicContact CE1-CG1 4.12Å; I567-V571 HydrophobicContact CG2-CB 4.3Å; I567-L573 HydrophobicContact CD1-CD1 3.67Å; I567-L573 HydrophobicContact CG1-CD1 4.37Å
568A85.2Confident84.3Confident6 Ų662.3 Ų62.35%0.0537%0.371CS..PPolyproline II helixtrans-63.4145-179.300000111.5G554 D555 V557 S566 G570 V571G554-A568 WeakPolarHBondContact O-CB 3.37Å; D555-A568 WeakPolarHBondContact O-CB 3.43Å; D555-A568 PolarHBondContact O-N 3.16Å; V557-A568 HydrophobicContact CG1-CB 4.09Å; S566-A568 PolarHBondContact O-N 2.66Å; A568-G570 PolarHBondContact O-N 3.38Å; A568-V571 HydrophobicContact CB-CG2 4Å; A568-V571 PolarHBondContact O-N 2.86Å
569P80.7Confident84Confident113 Ų11361.4 Ų61.473%0.73437%0.366SS*.THydrogen-bonded Turntrans-57.1129.2176.7-25.134.2000112.8
570G78.9Confident83.9Confident78 Ų7860.2 Ų60.280%0.80437%0.366SS*.THydrogen-bonded Turntrans88.412.9174.300000115.6A568A568-G570 PolarHBondContact O-N 3.38Å
571V80.4Confident84Confident26 Ų2654.1 Ų54.116%0.15834%0.339CS..  trans-102.7135-177.7176.70000110.8D555 I567 A568D555-V571 HydrophobicContact CB-CG1 3.88Å; D555-V571 VanDerWaalsContact OD1-CG1 3.29Å; D555-V571 WeakPolarHBondContact OD1-CG1 3.29Å; I567-V571 HydrophobicContact CG2-CB 4.3Å; A568-V571 HydrophobicContact CB-CG2 4Å; A568-V571 PolarHBondContact O-N 2.86Å
572E74.7Confident84.2Confident181 Ų18150.4 Ų50.485%0.84632%0.317SS*.  trans-108.3125.7170.3-83.7-176.5162.500109.6
573L77.8Confident84.4Confident19 Ų1947.6 Ų47.610%0.09930%0.299CS..  trans-82.2136.8179.9-62.1172.8000111.1V518 T520 F556 I567 V605V518-L573 HydrophobicContact CB-CD1 4.41Å; V518-L573 HydrophobicContact CG1-CD1 3.25Å; T520-L573 WeakPolarHBondContact CG2-O 3.34Å; F556-L573 HydrophobicContact CZ-CD2 4.17Å; I567-L573 HydrophobicContact CD1-CD1 3.67Å; I567-L573 HydrophobicContact CG1-CD1 4.37Å; L573-V605 HydrophobicContact CB-CG1 4.04Å; L573-V605 HydrophobicContact CB-CG2 4.43Å
574I79.1Confident84.6Confident103 Ų10349 Ų4953%0.52831%0.306SS..  trans-105.7127.5-179.6-55.9177.7000109.3G576 Q577 V605I574-G576 PolarHBondContact O-N 3.23Å; I574-Q577 HydrophobicContact CB-CG 4.11Å; I574-Q577 WeakPolarHBondContact O-CB 3.48Å; I574-Q577 PolarHBondContact O-N 3.39Å; I574-Q577 VanDerWaalsContact O-N 3.14Å; I574-V605 WeakPolarHBondContact O-CB 3.31Å
575V75.4Confident84.7Confident82 Ų8246.4 Ų46.450%0.49729%0.292SS..THydrogen-bonded Turntrans-50.9130.7176.2-178.50000110.6T520T520-V575 HydrophobicContact CG2-CB 4.27Å; T520-V575 HydrophobicContact CG2-CG2 3.35Å
576G78.1Confident84.8Confident56 Ų5647.1 Ų47.158%0.57730%0.297SS*.THydrogen-bonded Turntrans83.41.2177.200000115.4I574 V605I574-G576 PolarHBondContact O-N 3.23Å; G576-V605 PolarHBondContact N-O 3.44Å
577Q83.3Confident85.1Confident67 Ų6746 Ų4631%0.31329%0.29SS..  trans-72.9146.1165-79.8-173.4-1400111.1I574 Y579 V605I574-Q577 HydrophobicContact CB-CG 4.11Å; I574-Q577 WeakPolarHBondContact O-CB 3.48Å; I574-Q577 PolarHBondContact O-N 3.39Å; I574-Q577 VanDerWaalsContact O-N 3.14Å; Q577-Y579 HydrophobicContact CB-CE2 4.17Å; Q577-Y579 PolarHBondContact OE1-OH 2.93Å; Q577-V605 PolarHBondContact O-N 3.25Å
578T85.3Confident85.3Confident98 Ų9848.2 Ų48.260%0.60130%0.301SS*.EExtended strand (participates in β ladder)trans-124.8144.1173.557.40000111.4I603 E604T578-I603 CarbonylContact C-O 3.53Å; T578-I603 WeakPolarHBondContact CA-O 3.48Å; T578-E604 HydrophobicContact CG2-CB 4.34Å; T578-E604 HydrophobicContact CG2-CG 4.26Å
579Y86.9Confident85.5Confident12 Ų1247.9 Ų47.95%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-124.1150.2175.7-57.7-98.6000110.1K553 D555 F556 Q577 Y602 I603 V605K553-Y579 HydrophobicContact CB-CE1 4.41Å; K553-Y579 HydrophobicContact CD-CE1 4.19Å; D555-Y579 HydrophobicContact CB-CE1 4.02Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.17Å; D555-Y579 PolarHBondContact OD2-OH 2.84Å; D555-Y579 VanDerWaalsContact OD2-OH 3.06Å; F556-Y579 HydrophobicContact CD2-CD1 4.27Å; F556-Y579 HydrophobicContact CD2-CG 4.38Å; F556-Y579 AromaticContact CE2-CD1 3.72Å; F556-Y579 HydrophobicContact CE2-CD1 3.72Å; F556-Y579 AromaticContact CE2-CD2 3.63Å; F556-Y579 HydrophobicContact CE2-CD2 3.63Å; F556-Y579 AromaticContact CE2-CE1 3.95Å; F556-Y579 HydrophobicContact CE2-CE1 3.95Å; F556-Y579 AromaticContact CE2-CE2 3.88Å; F556-Y579 HydrophobicContact CE2-CE2 3.88Å; F556-Y579 AromaticContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CZ-CD2 4.07Å; F556-Y579 HydrophobicContact CZ-CE2 4.22Å; F556-Y579 HydrophobicContact CZ-CG 4.42Å; Q577-Y579 HydrophobicContact CB-CE2 4.17Å; Q577-Y579 PolarHBondContact OE1-OH 2.93Å; Y579-Y602 CarbonylContact O-C 3.59Å; Y579-Y602 WeakPolarHBondContact O-CA 3.37Å; Y579-I603 HydrophobicContact CD2-CB 4.4Å; Y579-I603 PolarHBondContact N-O 3.17Å; Y579-I603 PolarHBondContact O-N 3.03Å; Y579-V605 HydrophobicContact CE2-CG2 4.46Å
580A89.5Confident85.9Confident46 Ų4646 Ų4638%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-133.291.6173.500000107.7G551 V601 Y602G551-A580 WeakPolarHBondContact CA-O 3.46Å; A580-V601 CarbonylContact C-O 3.57Å; A580-V601 WeakPolarHBondContact CA-O 3.46Å; A580-Y602 HydrophobicContact CB-CD1 3.88Å; A580-Y602 HydrophobicContact CB-CE1 3.83Å
581L90.5Very high86.2Confident1 Ų148 Ų481%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-84.7125.1-176.6-66.380.9000109.3I548 V550 F556 V565 V583 T600 V601 I603I548-L581 HydrophobicContact CD1-CD2 4.08Å; I548-L581 HydrophobicContact CG1-CD2 4.43Å; V550-L581 WeakPolarHBondContact O-CA 3.48Å; F556-L581 HydrophobicContact CB-CD2 3.73Å; F556-L581 HydrophobicContact CD2-CD1 4.16Å; F556-L581 HydrophobicContact CD2-CD2 4.14Å; F556-L581 HydrophobicContact CG-CD2 4.09Å; V565-L581 HydrophobicContact CG1-CD2 4.36Å; L581-V583 HydrophobicContact CB-CG2 4.43Å; L581-T600 CarbonylContact O-C 3.54Å; L581-T600 VanDerWaalsContact O-CA 3.24Å; L581-T600 WeakPolarHBondContact O-CA 3.45Å; L581-V601 HydrophobicContact CB-CB 4.31Å; L581-V601 PolarHBondContact N-O 2.8Å; L581-V601 PolarHBondContact O-N 2.88Å; L581-I603 HydrophobicContact CD1-CD1 3.4Å; L581-I603 VanDerWaalsContact CD1-CD1 3.4Å; L581-I603 HydrophobicContact CD1-CG1 3.93Å
582T90.9Very high86.5Confident31 Ų3151.7 Ų51.719%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-93.2113169-50.10000108.5L549 V550 I598 C599 T600L549-T582 HydrophobicContact CD1-CG2 4.49Å; L549-T582 PolarHBondContact N-O 3.45Å; V550-T582 PolarHBondContact O-N 3.2Å; T582-I598 HydrophobicContact CG2-CB 4.32Å; T582-I598 HydrophobicContact CG2-CD1 4.42Å; T582-C599 WeakPolarHBondContact CA-O 3.06Å; T582-T600 HydrophobicContact CG2-CG2 4.5Å
583V91.7Very high87Confident0 Ų048.6 Ų48.60%030%0.304CS..EExtended strand (participates in β ladder)trans-107.5135.3-179.6-178.90000109.2F509 L531 E547 I548 I558 L581 I598 C599F509-V583 HydrophobicContact CZ-CG1 4.33Å; L531-V583 HydrophobicContact CD1-CB 3.87Å; L531-V583 HydrophobicContact CD1-CG1 3.74Å; L531-V583 HydrophobicContact CD1-CG2 3.75Å; E547-V583 CarbonylContact O-C 3.58Å; E547-V583 WeakPolarHBondContact O-CA 3.4Å; I548-V583 HydrophobicContact CG1-CG2 4.06Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.39Å; L581-V583 HydrophobicContact CB-CG2 4.43Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.14Å; V583-C599 PolarHBondContact N-O 2.83Å; V583-C599 PolarHBondContact O-N 2.98Å
584Q93Very high87.5Confident31 Ų3152.8 Ų52.815%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-105.5135.5173.8-174.2178.517.400110Y546 E547 L549 H596 S597 I598Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; E547-Q584 PolarHBondContact N-O 3.09Å; E547-Q584 PolarHBondContact O-N 2.81Å; L549-Q584 HydrophobicContact CD1-CB 3.88Å; L549-Q584 HydrophobicContact CD2-CB 4.46Å; L549-Q584 HydrophobicContact CG-CB 3.94Å; Q584-H596 HydrophobicContact CG-CB 4.07Å; Q584-H596 PolarHBondContact NE2-CD2 3.09Å; Q584-S597 WeakPolarHBondContact CA-O 3.36Å; Q584-I598 HydrophobicContact CB-CG2 3.98Å; Q584-I598 HydrophobicContact CG-CG2 4.09Å
585A93.3Very high88.1Confident0 Ų052.2 Ų52.20%031%0.31CS..EExtended strand (participates in β ladder)trans-108.4123.8162.100000108P507 F509 A533 I544 S545 Y546 H596 S597P507-A585 HydrophobicContact CB-CB 4.01Å; F509-A585 HydrophobicContact CE1-CB 4.19Å; F509-A585 HydrophobicContact CE2-CB 3.58Å; F509-A585 HydrophobicContact CZ-CB 3.37Å; A533-A585 HydrophobicContact CB-CB 3.65Å; I544-A585 HydrophobicContact CG2-CB 3.74Å; S545-A585 WeakPolarHBondContact O-CA 3.5Å; Y546-A585 HydrophobicContact CD1-CB 4.1Å; Y546-A585 HydrophobicContact CE1-CB 4.03Å; A585-H596 CarbonylContact O-C 3.6Å; A585-H596 WeakPolarHBondContact O-CA 3.23Å; A585-H596 VanDerWaalsContact O-CB 3.29Å; A585-H596 WeakPolarHBondContact O-CB 3.33Å; A585-S597 PolarHBondContact N-O 2.94Å; A585-S597 PolarHBondContact O-N 3.4Å
586S92.8Very high89Confident15 Ų1553.3 Ų53.311%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-127.1140176.258.80000111S545 R595S545-S586 PolarHBondContact N-O 3.32Å; S545-S586 PolarHBondContact O-N 3.31Å; S545-S586 PolarHBondContact OG-O 3.37Å; S545-S586 PolarHBondContact OG-OG 2.88Å; S545-S586 VanDerWaalsContact OG-OG 3.08Å; S586-R595 WeakPolarHBondContact CA-O 3.42Å
587D94Very high89.7Confident0 Ų051.8 Ų51.80%029%0.29CS..  trans-67.3170.9171.366.647.6000111.2N503 P507 N541 E543 A589 R594 R595N503-D587 PolarHBondContact ND2-OD2 2.85Å; P507-D587 HydrophobicContact CG-CB 3.96Å; N541-D587 WeakPolarHBondContact O-CB 3.31Å; E543-D587 CarbonylContact O-C 3.5Å; E543-D587 WeakPolarHBondContact O-CA 3.46Å; D587-A589 WeakPolarHBondContact OD1-CB 3.48Å; D587-A589 PolarHBondContact OD1-N 3.2Å; D587-R594 WeakPolarHBondContact O-CD 3.37Å; D587-R594 PolarHBondContact O-NE 2.84Å; D587-R594 VanDerWaalsContact O-NE 3.14Å; D587-R594 VanDerWaalsContact OD1-CA 3.29Å; D587-R594 WeakPolarHBondContact OD1-CA 3.48Å; D587-R594 WeakPolarHBondContact OD1-CG 3.42Å; D587-R595 PolarHBondContact N-O 2.87Å; D587-R595 VanDerWaalsContact N-O 3.11Å; D587-R595 PolarHBondContact OD1-N 2.87Å; D587-R595 WeakPolarHBondContact OD2-CA 3.44Å; D587-R595 VanDerWaalsContact OD2-CB 3.28Å; D587-R595 WeakPolarHBondContact OD2-CB 3.44Å; D587-R595 PolarHBondContact OD2-N 3.12Å
588N90.6Very high90.2Very high47 Ų4753.5 Ų53.525%0.25130%0.3SS..  trans-101.416.1177.4-76.2-25.4000112.8S540 E543S540-N588 CarbonylContact O-C 3.56Å; S540-N588 VanDerWaalsContact O-CA 3.29Å; S540-N588 WeakPolarHBondContact O-CA 3.32Å; S540-N588 WeakPolarHBondContact O-CB 3.23Å; S540-N588 PolarHBondContact O-N 2.99Å; E543-N588 HydrophobicContact CB-CB 4.32Å; E543-N588 WeakPolarHBondContact CG-ND2 3.45Å; E543-N588 PolarHBondContact O-N 2.87Å; E543-N588 VanDerWaalsContact O-N 3.08Å; E543-N588 PolarHBondContact OE2-ND2 2.96Å
589A89.2Confident90.5Very high0 Ų048.9 Ų48.90%027%0.272CS..SBendtrans-58.3162176.400000110.9N503 S540 N541 D587 E593 R594N503-A589 HydrophobicContact CB-CB 4.39Å; S540-A589 PolarHBondContact O-N 2.78Å; S540-A589 VanDerWaalsContact O-N 3.1Å; N541-A589 WeakPolarHBondContact OD1-CB 3.47Å; D587-A589 WeakPolarHBondContact OD1-CB 3.48Å; D587-A589 PolarHBondContact OD1-N 3.2Å; A589-E593 HydrophobicContact CB-CB 4.49Å; A589-R594 PolarHBondContact O-NE 3.17Å; A589-R594 PolarHBondContact O-NH2 3.3Å
590P88Confident90.7Very high74 Ų7450.1 Ų50.148%0.48128%0.281SS..  trans-50.7145.9175.1-26.335.1000111.1A592 E593 R594P590-A592 PolarHBondContact O-N 2.83Å; P590-E593 PolarHBondContact O-N 2.82Å; P590-R594 PolarHBondContact O-N 3.26Å
591P86.4Confident90.7Very high120 Ų12047.9 Ų47.978%0.77926%0.263SS*.THydrogen-bonded Turntrans-55.9-21.1-171-27.233.8000115.9
592A85.5Confident90.6Very high103 Ų10353 Ų5385%0.85128%0.282SS*.THydrogen-bonded Turntrans-78.7-25.5177.100000113.5P590P590-A592 PolarHBondContact O-N 2.83Å
593E85.1Confident90.5Very high115 Ų11551.6 Ų51.654%0.53727%0.274SS..THydrogen-bonded Turntrans-111.4-8.6-175-67.7177.9-17000112.7N503 A589 P590 R595N503-E593 PolarHBondContact ND2-O 3.23Å; A589-E593 HydrophobicContact CB-CB 4.49Å; P590-E593 PolarHBondContact O-N 2.82Å; E593-R595 PolarHBondContact O-N 2.72Å
594R90Very high90.1Very high107 Ų10755.4 Ų55.440%0.40429%0.292SS..  trans-57.6127.2-178179.8167.2-58.7176.10.9113.7D587 A589 P590D587-R594 WeakPolarHBondContact O-CD 3.37Å; D587-R594 PolarHBondContact O-NE 2.84Å; D587-R594 VanDerWaalsContact O-NE 3.14Å; D587-R594 VanDerWaalsContact OD1-CA 3.29Å; D587-R594 WeakPolarHBondContact OD1-CA 3.48Å; D587-R594 WeakPolarHBondContact OD1-CG 3.42Å; A589-R594 PolarHBondContact O-NE 3.17Å; A589-R594 PolarHBondContact O-NH2 3.3Å; P590-R594 PolarHBondContact O-N 3.26Å
595R91.7Very high89.6Confident92 Ų9254 Ų5435%0.34729%0.285SS..  trans-112157.8176.9-61.5170.7173.5-143.710.6110.8N503 D504 N505 T506 S586 D587 E593N503-R595 PolarHBondContact O-NE 3.25Å; N503-R595 PolarHBondContact O-NH2 2.67Å; D504-R595 VanDerWaalsContact C-NH1 3.27Å; D504-R595 PolarHBondContact O-NH1 2.81Å; N505-R595 WeakPolarHBondContact O-CD 3.4Å; N505-R595 PolarHBondContact O-NH1 2.84Å; T506-R595 HydrophobicContact CG2-CB 3.99Å; T506-R595 WeakPolarHBondContact OG1-CD 3.25Å; S586-R595 WeakPolarHBondContact CA-O 3.42Å; D587-R595 PolarHBondContact N-O 2.87Å; D587-R595 VanDerWaalsContact N-O 3.11Å; D587-R595 PolarHBondContact OD1-N 2.87Å; D587-R595 WeakPolarHBondContact OD2-CA 3.44Å; D587-R595 VanDerWaalsContact OD2-CB 3.28Å; D587-R595 WeakPolarHBondContact OD2-CB 3.44Å; D587-R595 PolarHBondContact OD2-N 3.12Å; E593-R595 PolarHBondContact O-N 2.72Å
596H93Very high88.7Confident105 Ų10556.3 Ų56.349%0.48630%0.297SS..EExtended strand (participates in β ladder)trans-157.4152.7-177.359.4-88.3000112.7Q584 A585Q584-H596 HydrophobicContact CG-CB 4.07Å; Q584-H596 PolarHBondContact NE2-CD2 3.09Å; A585-H596 CarbonylContact O-C 3.6Å; A585-H596 WeakPolarHBondContact O-CA 3.23Å; A585-H596 VanDerWaalsContact O-CB 3.29Å; A585-H596 WeakPolarHBondContact O-CB 3.33Å
597S93.7Very high87.7Confident24 Ų2459.2 Ų59.217%0.16832%0.316CS..EExtended strand (participates in β ladder)trans-126.516616774.50000111.5P507 F509 Q584 A585P507-S597 WeakPolarHBondContact O-CB 3.38Å; P507-S597 PolarHBondContact O-OG 3.44Å; F509-S597 WeakPolarHBondContact CD2-OG 3.16Å; Q584-S597 WeakPolarHBondContact CA-O 3.36Å; A585-S597 PolarHBondContact N-O 2.94Å; A585-S597 PolarHBondContact O-N 3.4Å
598I92.8Very high86Confident102 Ų10263.7 Ų63.752%0.52335%0.345SS..EExtended strand (participates in β ladder)trans-129.4145.6177.857.9172.3000110.7L549 T582 V583 Q584L549-I598 HydrophobicContact CD1-CG2 3.99Å; T582-I598 HydrophobicContact CG2-CB 4.32Å; T582-I598 HydrophobicContact CG2-CD1 4.42Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.14Å; Q584-I598 HydrophobicContact CB-CG2 3.98Å; Q584-I598 HydrophobicContact CG-CG2 4.09Å
599C92.2Very high84.1Confident2 Ų268.1 Ų68.11%0.01437%0.369CS..EExtended strand (participates in β ladder)trans-131.8164169.670.10000110.7F509 I512 T582 V583F509-C599 HydrophobicContact CB-CB 4.14Å; F509-C599 HydrophobicContact CD1-CB 4.45Å; F509-C599 HydrophobicContact CD2-CB 3.66Å; F509-C599 HydrophobicContact CE2-CB 4.12Å; F509-C599 HydrophobicContact CG-CB 3.83Å; I512-C599 WeakPolarHBondContact O-CA 2.98Å; T582-C599 WeakPolarHBondContact CA-O 3.06Å; V583-C599 PolarHBondContact N-O 2.83Å; V583-C599 PolarHBondContact O-N 2.98Å
600T91Very high81.9Confident37 Ų3773.4 Ų73.423%0.22740%0.397CS..EExtended strand (participates in β ladder)trans-117.4123.7178.747.90000112.5I512 S513 Y514 L581 T582I512-T600 PolarHBondContact O-N 3.25Å; I512-T600 VanDerWaalsContact O-N 3.08Å; S513-T600 CarbonylContact C-O 3.53Å; S513-T600 WeakPolarHBondContact CA-O 3.3Å; S513-T600 VanDerWaalsContact CB-O 3.26Å; S513-T600 WeakPolarHBondContact CB-O 2.95Å; S513-T600 WeakPolarHBondContact CB-OG1 3.37Å; Y514-T600 PolarHBondContact N-O 3.23Å; L581-T600 CarbonylContact O-C 3.54Å; L581-T600 VanDerWaalsContact O-CA 3.24Å; L581-T600 WeakPolarHBondContact O-CA 3.45Å; T582-T600 HydrophobicContact CG2-CG2 4.5Å
601V90.2Very high80.3Confident0 Ų078.3 Ų78.30%041%0.413CS..EExtended strand (participates in β ladder)trans-101.7113.7176.1-174.10000109.1Y514 V516 I529 L531 A580 L581 I603Y514-V601 HydrophobicContact CD2-CG2 4.47Å; Y514-V601 CarbonylContact O-C 3.45Å; Y514-V601 WeakPolarHBondContact O-CA 3.32Å; V516-V601 HydrophobicContact CG2-CG1 4.01Å; I529-V601 HydrophobicContact CG2-CG1 4.1Å; L531-V601 HydrophobicContact CD1-CG2 3.99Å; L531-V601 HydrophobicContact CD2-CG2 4.02Å; L531-V601 HydrophobicContact CG-CG2 4.49Å; A580-V601 CarbonylContact C-O 3.57Å; A580-V601 WeakPolarHBondContact CA-O 3.46Å; L581-V601 HydrophobicContact CB-CB 4.31Å; L581-V601 PolarHBondContact N-O 2.8Å; L581-V601 PolarHBondContact O-N 2.88Å; V601-I603 HydrophobicContact CG1-CD1 4.44Å; V601-I603 HydrophobicContact CG1-CG1 3.95Å
602Y88.5Confident78.9Confident107 Ų10775.6 Ų75.642%0.4240%0.397SS..EExtended strand (participates in β ladder)trans-87.9123.3172.1-63.3-73.4000109.4Y514 D515 V516 Y579 A580Y514-Y602 PolarHBondContact O-N 3.04Å; D515-Y602 WeakPolarHBondContact OD1-CB 3.49Å; V516-Y602 PolarHBondContact N-O 2.88Å; Y579-Y602 CarbonylContact O-C 3.59Å; Y579-Y602 WeakPolarHBondContact O-CA 3.37Å; A580-Y602 HydrophobicContact CB-CD1 3.88Å; A580-Y602 HydrophobicContact CB-CE1 3.83Å
603I87Confident78.3Confident2 Ų274 Ų741%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-117.7124.1179.3-55.7177.1000109V516 V518 V528 F556 T578 Y579 L581 V601V516-I603 VanDerWaalsContact O-CA 3.29Å; V516-I603 WeakPolarHBondContact O-CA 3.45Å; V518-I603 HydrophobicContact CB-CG2 4.01Å; V518-I603 HydrophobicContact CG2-CG2 3.44Å; V518-I603 VanDerWaalsContact CG2-CG2 3.44Å; V528-I603 HydrophobicContact CG1-CD1 3.88Å; V528-I603 HydrophobicContact CG1-CG1 4.4Å; F556-I603 HydrophobicContact CD1-CD1 4.07Å; F556-I603 HydrophobicContact CD2-CD1 4.14Å; F556-I603 HydrophobicContact CE1-CD1 3.75Å; F556-I603 HydrophobicContact CE2-CD1 3.83Å; F556-I603 HydrophobicContact CG-CD1 4.26Å; F556-I603 HydrophobicContact CZ-CD1 3.62Å; F556-I603 HydrophobicContact CZ-CG2 4.14Å; T578-I603 CarbonylContact C-O 3.53Å; T578-I603 WeakPolarHBondContact CA-O 3.48Å; Y579-I603 HydrophobicContact CD2-CB 4.4Å; Y579-I603 PolarHBondContact N-O 3.17Å; Y579-I603 PolarHBondContact O-N 3.03Å; L581-I603 HydrophobicContact CD1-CD1 3.4Å; L581-I603 VanDerWaalsContact CD1-CD1 3.4Å; L581-I603 HydrophobicContact CD1-CG1 3.93Å; V601-I603 HydrophobicContact CG1-CD1 4.44Å; V601-I603 HydrophobicContact CG1-CG1 3.95Å
604E83.7Confident78Confident81 Ų8168.6 Ų68.638%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-115.1134.5172.2-178.4174.9-174.900111.1V516 Y517 V518 T578 L606V516-E604 PolarHBondContact O-N 2.82Å; Y517-E604 WeakPolarHBondContact CA-O 3.26Å; Y517-E604 HydrophobicContact CD1-CB 3.96Å; Y517-E604 HydrophobicContact CD1-CG 4.47Å; Y517-E604 HydrophobicContact CE1-CB 4.19Å; V518-E604 PolarHBondContact N-O 2.84Å; T578-E604 HydrophobicContact CG2-CB 4.34Å; T578-E604 HydrophobicContact CG2-CG 4.26Å; E604-L606 HydrophobicContact CG-CD2 4.2Å
605V82.7Confident77.6Confident1 Ų171.7 Ų71.71%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-96.3112-177.2-174.30000112V518 T520 L573 I574 G576 Q577 Y579V518-V605 CarbonylContact O-C 3.49Å; V518-V605 WeakPolarHBondContact O-CA 3.26Å; T520-V605 HydrophobicContact CG2-CG1 3.44Å; T520-V605 VanDerWaalsContact CG2-CG1 3.44Å; L573-V605 HydrophobicContact CB-CG1 4.04Å; L573-V605 HydrophobicContact CB-CG2 4.43Å; I574-V605 WeakPolarHBondContact O-CB 3.31Å; G576-V605 PolarHBondContact N-O 3.44Å; Q577-V605 PolarHBondContact O-N 3.25Å; Y579-V605 HydrophobicContact CE2-CG2 4.46Å
606L75.2Confident77.3Confident49 Ų4967.5 Ų67.526%0.25735%0.349SS..EExtended strand (participates in β ladder)trans-106.9157.7-175-64.9-175.9000114.4Y517 V518 Y519 T520 E604Y517-L606 HydrophobicContact CD1-CD1 3.55Å; Y517-L606 HydrophobicContact CD1-CG 3.98Å; Y517-L606 HydrophobicContact CE1-CD1 4.31Å; Y517-L606 HydrophobicContact CG-CD1 3.83Å; V518-L606 PolarHBondContact O-N 2.88Å; Y519-L606 WeakPolarHBondContact CA-O 3.34Å; Y519-L606 HydrophobicContact CD1-CB 3.98Å; Y519-L606 HydrophobicContact CE1-CB 3.94Å; Y519-L606 HydrophobicContact CE1-CD1 4.49Å; T520-L606 PolarHBondContact N-O 2.95Å; E604-L606 HydrophobicContact CG-CD2 4.2Å
607P71.2Confident76.9Confident76 Ų7666.3 Ų66.349%0.49435%0.35SS..  trans-78.2162.3169.232.3-33.9000113
608P59.1Low76.5Confident93 Ų9370.4 Ų70.460%0.60437%0.367SS*.  trans-65.9138.5-177-18.831.4000114.3
609N50Low76Confident141 Ų14171.5 Ų71.575%0.75437%0.373SS*.  trans-113.5143.9-177-17614.1000113.9
610N43.1Very low75.8Confident111 Ų11177.5 Ų77.559%0.59440%0.403SS*.  trans-150.684.2-173.817633000114.9
611Q53.6Low75.8Confident177 Ų17777 Ų7783%0.82740%0.396SS*.  trans-167.8129.2154.2-62.4-162-77.500107.9
612S58.1Low75.8Confident62 Ų6281.2 Ų81.243%0.43443%0.426SS..  trans-147.4135-170.3-52.70000115.3
613P72.7Confident75.9Confident71 Ų7177.3 Ų77.346%0.46141%0.413SS..  trans-71.3164.6174.230-35.3000113R615P613-R615 PolarHBondContact O-N 2.79Å
614P79.4Confident76.1Confident0 Ų084.5 Ų84.50%045%0.446CS..  trans-55.4128.817619.6-31000110.2D642 I648 D692 S699P614-D642 HydrophobicContact CB-CB 4.15Å; P614-I648 HydrophobicContact CB-CD1 4.15Å; P614-I648 HydrophobicContact CB-CG1 4.4Å; P614-D692 HydrophobicContact CG-CB 4.36Å; P614-S699 WeakPolarHBondContact O-CB 3.35Å; P614-S699 PolarHBondContact O-OG 3.01Å
615R81.5Confident76.6Confident172 Ų17280.8 Ų80.865%0.64943%0.429SS*.BIsolated β-bridgetrans-109.1124.2-170.7-166.1174.3-176.4-92.91.8110.2P613 T641P613-R615 PolarHBondContact O-N 2.79Å; R615-T641 PolarHBondContact N-O 2.78Å; R615-T641 PolarHBondContact O-N 2.87Å; R615-T641 PolarHBondContact O-OG1 2.72Å
616F85.8Confident77Confident4 Ų482.4 Ų82.42%0.01844%0.441CS..  trans-68.5134.1162-70.5-80.7000109.1Q618 Y621 L638 A640 Y650 A690 A701F616-Q618 WeakPolarHBondContact CB-O 3.37Å; F616-Q618 PolarHBondContact O-N 2.81Å; F616-Q618 VanDerWaalsContact O-N 3.13Å; F616-Y621 HydrophobicContact CB-CE2 4.43Å; F616-Y621 HydrophobicContact CD1-CE2 4.1Å; F616-L638 HydrophobicContact CE1-CB 4.3Å; F616-A640 HydrophobicContact CD1-CB 3.9Å; F616-A640 HydrophobicContact CE1-CB 3.92Å; F616-A640 HydrophobicContact CG-CB 4.24Å; F616-A640 HydrophobicContact CZ-CB 4.28Å; F616-Y650 HydrophobicContact CE1-CD1 4.33Å; F616-Y650 AromaticContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CZ-CD1 4.32Å; F616-Y650 HydrophobicContact CZ-CE1 4.22Å; F616-A690 HydrophobicContact CD2-CB 4.47Å; F616-A690 HydrophobicContact CE1-CB 4.2Å; F616-A690 HydrophobicContact CE2-CB 3.53Å; F616-A690 HydrophobicContact CZ-CB 3.37Å; F616-A701 HydrophobicContact CB-CB 4.2Å; F616-A701 HydrophobicContact CD1-CB 3.97Å; F616-A701 HydrophobicContact CD2-CB 3.49Å; F616-A701 VanDerWaalsContact CD2-CB 3.49Å; F616-A701 HydrophobicContact CE1-CB 4.16Å; F616-A701 HydrophobicContact CE2-CB 3.69Å; F616-A701 HydrophobicContact CG-CB 3.63Å; F616-A701 HydrophobicContact CZ-CB 4.02Å
617P83.2Confident77.8Confident80 Ų8080.7 Ų80.752%0.51943%0.431SS..SBendtrans-53.6-31.1172.7-26.432.5000112.8Q639P617-Q639 WeakPolarHBondContact CD-O 3.41Å
618Q84.7Confident78.7Confident110 Ų11080.5 Ų80.551%0.51444%0.436SS..  trans-131.1135.4177.7-63.1175.6-19.300109.3F616 M620 Y621F616-Q618 WeakPolarHBondContact CB-O 3.37Å; F616-Q618 PolarHBondContact O-N 2.81Å; F616-Q618 VanDerWaalsContact O-N 3.13Å; Q618-M620 VanDerWaalsContact C-N 3.27Å; Q618-Y621 HydrophobicContact CB-CD1 4.45Å; Q618-Y621 HydrophobicContact CB-CE1 4.01Å; Q618-Y621 HydrophobicContact CB-CE2 4.25Å; Q618-Y621 HydrophobicContact CG-CE1 4.46Å; Q618-Y621 VanDerWaalsContact O-CE2 3.24Å; Q618-Y621 WeakPolarHBondContact O-CE2 3.27Å
619L83.4Confident80.3Confident125 Ų12579.5 Ų79.565%0.65442%0.424SS*.SBendtrans-75.8-21.6175.9-64.2172.8000112.1A701 T702L619-A701 CarbonylContact O-C 3.48Å; L619-A701 WeakPolarHBondContact O-CA 3.2Å; L619-T702 PolarHBondContact O-N 3.15Å
620M88.5Confident82.2Confident129 Ų12982.8 Ų82.864%0.63543%0.426SS*.EExtended strand (participates in β ladder)trans-134.7129.2178.6-64.917968.500109.5Q618 T702Q618-M620 VanDerWaalsContact C-N 3.27Å; M620-T702 CarbonylContact C-O 3.59Å; M620-T702 VanDerWaalsContact CA-O 3.24Å; M620-T702 WeakPolarHBondContact CA-O 3.3Å
621Y90Very high84.6Confident25 Ų2582.3 Ų82.310%0.09842%0.422CS..EExtended strand (participates in β ladder)trans-109.9126.5170.2-63.7-90.1000107.4F616 Q618 L638 A701 T702 V703 N704F616-Y621 HydrophobicContact CB-CE2 4.43Å; F616-Y621 HydrophobicContact CD1-CE2 4.1Å; Q618-Y621 HydrophobicContact CB-CD1 4.45Å; Q618-Y621 HydrophobicContact CB-CE1 4.01Å; Q618-Y621 HydrophobicContact CB-CE2 4.25Å; Q618-Y621 HydrophobicContact CG-CE1 4.46Å; Q618-Y621 VanDerWaalsContact O-CE2 3.24Å; Q618-Y621 WeakPolarHBondContact O-CE2 3.27Å; Y621-L638 HydrophobicContact CD1-CD2 4.44Å; Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.43Å; Y621-L638 HydrophobicContact CE2-CD2 3.65Å; Y621-L638 HydrophobicContact CG-CD2 4.07Å; Y621-A701 HydrophobicContact CD2-CB 4.2Å; Y621-A701 HydrophobicContact CE2-CB 3.98Å; Y621-T702 PolarHBondContact N-O 2.84Å; Y621-V703 HydrophobicContact CD2-CG2 4.26Å; Y621-V703 CarbonylContact O-C 3.52Å; Y621-V703 WeakPolarHBondContact O-CA 3.47Å; Y621-N704 PolarHBondContact O-N 2.67Å
622S90.1Very high86.3Confident90 Ų9076.3 Ų76.363%0.62941%0.408SS*.EExtended strand (participates in β ladder)trans-117.7130.6175.4-159.70000108.9N704S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.5Å
623L90.9Very high87.8Confident25 Ų2574.5 Ų74.513%0.13140%0.397CS..EExtended strand (participates in β ladder)trans-141.3151.9175.463.4161.6000110.9V625 L635 L636 V703 N704 I705 V706L623-V625 HydrophobicContact CD1-CG2 3.71Å; L623-V625 HydrophobicContact CG-CG2 4.17Å; L623-L635 HydrophobicContact CD1-CB 3.82Å; L623-L636 HydrophobicContact CD1-CD1 4.15Å; L623-L636 HydrophobicContact CD1-CG 4Å; L623-L636 HydrophobicContact CD2-CD1 3.45Å; L623-L636 VanDerWaalsContact CD2-CD1 3.45Å; L623-L636 HydrophobicContact CD2-CG 4.19Å; L623-L636 HydrophobicContact CG-CD1 4.34Å; L623-V703 HydrophobicContact CD2-CG1 3.61Å; L623-N704 PolarHBondContact N-O 2.88Å; L623-I705 HydrophobicContact CD2-CB 4.48Å; L623-I705 HydrophobicContact CD2-CG1 3.74Å; L623-I705 HydrophobicContact CG-CG1 4.24Å; L623-V706 PolarHBondContact O-N 3.36Å
624E92Very high88.7Confident152 Ų15276.9 Ų76.971%0.7141%0.405SS*.EExtended strand (participates in β ladder)trans-103.3128.7173.6-76.9176.9-170.200109.1V706 T708E624-V706 CarbonylContact C-O 3.57Å; E624-V706 WeakPolarHBondContact CA-O 3.46Å; E624-V706 HydrophobicContact CG-CB 4.32Å; E624-T708 HydrophobicContact CB-CG2 3.65Å; E624-T708 HydrophobicContact CG-CG2 3.92Å
625V92.9Very high89.2Confident3 Ų378.2 Ų78.22%0.01841%0.411CS..EExtended strand (participates in β ladder)trans-128.6120.5-179.3-176.90000108.7L623 M629 L635 L676 I705 V706 V707 T708L623-V625 HydrophobicContact CD1-CG2 3.71Å; L623-V625 HydrophobicContact CG-CG2 4.17Å; V625-M629 HydrophobicContact CG1-CB 3.8Å; V625-M629 HydrophobicContact CG1-CE 4.19Å; V625-M629 HydrophobicContact CG1-CG 3.99Å; V625-L635 HydrophobicContact CG1-CD2 3.91Å; V625-L635 HydrophobicContact CG2-CD1 4.35Å; V625-L635 HydrophobicContact CG2-CD2 3.9Å; V625-L676 HydrophobicContact CB-CD1 4.25Å; V625-L676 HydrophobicContact CG1-CD1 3.62Å; V625-I705 HydrophobicContact CB-CG2 4.11Å; V625-I705 HydrophobicContact CG2-CG2 3.71Å; V625-V706 PolarHBondContact N-O 2.8Å; V625-V707 CarbonylContact O-C 3.52Å; V625-V707 VanDerWaalsContact O-CA 3.25Å; V625-V707 WeakPolarHBondContact O-CA 3.46Å; V625-T708 PolarHBondContact O-N 3.32Å
626S92.3Very high89.6Confident36 Ų3671.9 Ų71.925%0.25239%0.39SS..EExtended strand (participates in β ladder)trans-60.3138.2173.5175.40000111.3A628 M629 T708 V710S626-A628 PolarHBondContact O-N 3.33Å; S626-A628 PolarHBondContact OG-N 3.45Å; S626-M629 WeakPolarHBondContact O-CB 3.28Å; S626-M629 PolarHBondContact O-N 3.33Å; S626-T708 WeakPolarHBondContact CA-O 3.28Å; S626-T708 WeakPolarHBondContact CA-OG1 3.44Å; S626-T708 PolarHBondContact N-OG1 2.78Å; S626-V710 VanDerWaalsContact OG-CG2 3.25Å; S626-V710 WeakPolarHBondContact OG-CG2 3.44Å
627E92.3Very high89.8Confident13 Ų1375.5 Ų75.56%0.06141%0.41CS..THydrogen-bonded Turntrans-63.8-27.9174.977-164.9128.500112.9M629 L676 R678 V707 T708 V710E627-M629 PolarHBondContact O-N 2.71Å; E627-M629 VanDerWaalsContact O-N 3.08Å; E627-L676 HydrophobicContact CB-CB 4.16Å; E627-R678 HydrophobicContact CB-CB 4.42Å; E627-R678 WeakPolarHBondContact OE2-CB 3.44Å; E627-R678 PolarHBondContact OE2-N 3.11Å; E627-V707 HydrophobicContact CB-CG1 3.76Å; E627-T708 PolarHBondContact N-O 3.13Å; E627-T708 VanDerWaalsContact N-O 3.13Å; E627-V710 HydrophobicContact CG-CB 4.01Å; E627-V710 HydrophobicContact CG-CG2 4.02Å; E627-V710 PolarHBondContact OE1-N 3.19Å
628A89.7Confident90.1Very high72 Ų7271.8 Ų71.860%0.59539%0.385SS*.THydrogen-bonded Turntrans-71.64.917100000113.4S626 R630 V710S626-A628 PolarHBondContact O-N 3.33Å; S626-A628 PolarHBondContact OG-N 3.45Å; A628-R630 PolarHBondContact O-N 2.62Å; A628-V710 HydrophobicContact CB-CG1 4.42Å; A628-V710 HydrophobicContact CB-CG2 3.91Å
629M92.2Very high90.1Very high71 Ų7172 Ų7235%0.3539%0.387SS..PPolyproline II helixtrans-60.1131.7176.9-173.963.568.100110.8V625 S626 E627 I631 A633 L635 L672V625-M629 HydrophobicContact CG1-CB 3.8Å; V625-M629 HydrophobicContact CG1-CE 4.19Å; V625-M629 HydrophobicContact CG1-CG 3.99Å; S626-M629 WeakPolarHBondContact O-CB 3.28Å; S626-M629 PolarHBondContact O-N 3.33Å; E627-M629 PolarHBondContact O-N 2.71Å; E627-M629 VanDerWaalsContact O-N 3.08Å; M629-I631 PolarHBondContact O-N 3.02Å; M629-A633 HydrophobicContact CG-CB 3.75Å; M629-A633 HydrophobicContact SD-CB 3.64Å; M629-L635 HydrophobicContact CG-CD2 4.48Å; M629-L672 HydrophobicContact CB-CD2 3.98Å; M629-L672 HydrophobicContact CG-CD2 3.95Å
630R90.7Very high90.1Very high211 Ų21166.5 Ų66.580%0.79636%0.359SS*.PPolyproline II helixtrans-69134-179.1-170.7177.6177.8-176.70.2111A628 G632 A633A628-R630 PolarHBondContact O-N 2.62Å; R630-G632 PolarHBondContact O-N 3.01Å; R630-A633 VanDerWaalsContact O-CB 3.24Å; R630-A633 WeakPolarHBondContact O-CB 3.35Å; R630-A633 PolarHBondContact O-N 3.34Å; R630-A633 VanDerWaalsContact O-N 3.1Å
631I92Very high89.7Confident100 Ų10064.9 Ų64.951%0.51336%0.356SS..THydrogen-bonded Turntrans-52.2133.1171.1-57.4170.9000110.3M629 G673 A675M629-I631 PolarHBondContact O-N 3.02Å; I631-G673 WeakPolarHBondContact CG2-O 3.38Å; I631-A675 HydrophobicContact CD1-CB 4.25Å; I631-A675 HydrophobicContact CG1-CB 4.38Å
632G89.2Confident89.2Confident51 Ų5164.7 Ų64.753%0.52636%0.357SS..THydrogen-bonded Turntrans91-2.6-17700000114.6R630 L672R630-G632 PolarHBondContact O-N 3.01Å; G632-L672 WeakPolarHBondContact CA-O 3.17Å; G632-L672 PolarHBondContact N-O 3.47Å
633A89.8Confident88.4Confident25 Ų2568.7 Ų68.721%0.20736%0.359CS..  trans-61.8139.8173.400000111.2M629 R630 S671 L672M629-A633 HydrophobicContact CG-CB 3.75Å; M629-A633 HydrophobicContact SD-CB 3.64Å; R630-A633 VanDerWaalsContact O-CB 3.24Å; R630-A633 WeakPolarHBondContact O-CB 3.35Å; R630-A633 PolarHBondContact O-N 3.34Å; R630-A633 VanDerWaalsContact O-N 3.1Å; A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.29Å; A633-S671 WeakPolarHBondContact O-CB 3.32Å; A633-L672 PolarHBondContact O-N 2.8Å
634I91.7Very high87.5Confident121 Ų12172.8 Ų72.862%0.62138%0.377SS*.EExtended strand (participates in β ladder)trans-83.4124.1174.1-63.2168.9000107.9I669I634-I669 HydrophobicContact CB-CG2 4.42Å; I634-I669 HydrophobicContact CD1-CG2 4.32Å; I634-I669 HydrophobicContact CG1-CG2 4.01Å; I634-I669 HydrophobicContact CG2-CG2 3.69Å
635L90.5Very high86.5Confident27 Ų2768.5 Ų68.514%0.14137%0.374CS..EExtended strand (participates in β ladder)trans-97-48.7-176.4-55.9-179.1000111.5L623 V625 M629 F661 L670 L672 I705L623-L635 HydrophobicContact CD1-CB 3.82Å; V625-L635 HydrophobicContact CG1-CD2 3.91Å; V625-L635 HydrophobicContact CG2-CD1 4.35Å; V625-L635 HydrophobicContact CG2-CD2 3.9Å; M629-L635 HydrophobicContact CG-CD2 4.48Å; L635-F661 HydrophobicContact CD1-CD1 3.65Å; L635-F661 HydrophobicContact CD1-CE1 3.62Å; L635-L670 PolarHBondContact N-O 2.76Å; L635-L672 HydrophobicContact CD1-CB 4.44Å; L635-I705 HydrophobicContact CD1-CD1 4.42Å
636L90.8Very high85.9Confident40 Ų4071.6 Ų71.621%0.20939%0.39CS..EExtended strand (participates in β ladder)trans-144.6155.7-178.5-84.9172.8000111.7L623 L670 V703L623-L636 HydrophobicContact CD1-CD1 4.15Å; L623-L636 HydrophobicContact CD1-CG 4Å; L623-L636 HydrophobicContact CD2-CD1 3.45Å; L623-L636 VanDerWaalsContact CD2-CD1 3.45Å; L623-L636 HydrophobicContact CD2-CG 4.19Å; L623-L636 HydrophobicContact CG-CD1 4.34Å; L636-L670 HydrophobicContact CB-CB 4.23Å; L636-L670 PolarHBondContact N-O 2.93Å; L636-L670 PolarHBondContact O-N 3.22Å; L636-V703 HydrophobicContact CD1-CG1 3.68Å; L636-V703 HydrophobicContact CD1-CG2 4.43Å
637N89.6Confident85.5Confident80 Ų8075.1 Ų75.143%0.42841%0.412SS..EExtended strand (participates in β ladder)trans-118.698.7168.2-175.4-0.9000108.6Q639 T667N637-Q639 PolarHBondContact ND2-NE2 3.19Å; N637-Q639 PolarHBondContact O-N 3.06Å; N637-T667 PolarHBondContact OD1-O 2.82Å
638L88.1Confident85.2Confident1 Ų176 Ų761%0.00542%0.417CS..  trans-78.1114.7179.7-66.3170.5000109.4F616 Y621 Y650 L663 G668 V688 V703F616-L638 HydrophobicContact CE1-CB 4.3Å; Y621-L638 HydrophobicContact CD1-CD2 4.44Å; Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.43Å; Y621-L638 HydrophobicContact CE2-CD2 3.65Å; Y621-L638 HydrophobicContact CG-CD2 4.07Å; L638-Y650 HydrophobicContact CB-CD1 4.41Å; L638-Y650 HydrophobicContact CB-CE1 4.31Å; L638-Y650 PolarHBondContact O-OH 2.84Å; L638-L663 HydrophobicContact CD1-CD1 4.1Å; L638-G668 WeakPolarHBondContact CB-O 3.21Å; L638-G668 PolarHBondContact N-O 3.29Å; L638-V688 HydrophobicContact CD1-CB 4.15Å; L638-V688 HydrophobicContact CD1-CG1 3.78Å; L638-V688 HydrophobicContact CD1-CG2 4.05Å; L638-V703 HydrophobicContact CD1-CG2 4.21Å; L638-V703 HydrophobicContact CD2-CG2 4Å
639Q84.8Confident85.1Confident116 Ų11676.2 Ų76.254%0.54241%0.411SS..  trans-120.989.9178.6-63.2-174.214.500109.6P617 N637P617-Q639 WeakPolarHBondContact CD-O 3.41Å; N637-Q639 PolarHBondContact ND2-NE2 3.19Å; N637-Q639 PolarHBondContact O-N 3.06Å
640A84.6Confident85Confident9 Ų973.7 Ų73.77%0.07440%0.398CS..  trans-72.6145.3163.100000109.5F616 I648 Y650 A690F616-A640 HydrophobicContact CD1-CB 3.9Å; F616-A640 HydrophobicContact CE1-CB 3.92Å; F616-A640 HydrophobicContact CG-CB 4.24Å; F616-A640 HydrophobicContact CZ-CB 4.28Å; A640-I648 HydrophobicContact CB-CD1 4.08Å; A640-I648 HydrophobicContact CB-CG2 4.4Å; A640-I648 WeakPolarHBondContact O-CD1 3.34Å; A640-Y650 HydrophobicContact CB-CE1 3.99Å; A640-Y650 PolarHBondContact N-OH 2.77Å; A640-A690 HydrophobicContact CB-CB 3.66Å
641T80.1Confident85Confident94 Ų9465.9 Ų65.958%0.57738%0.379SS*.BIsolated β-bridgetrans-116.7128174.954.70000109.7R615R615-T641 PolarHBondContact N-O 2.78Å; R615-T641 PolarHBondContact O-N 2.87Å; R615-T641 PolarHBondContact O-OG1 2.72Å
642D79.6Confident85Confident22 Ų2263.3 Ų63.312%0.11837%0.366CS..  trans-94.2138.9170.8-176.454.4000110.4P614 E644 G645 D646 I648P614-D642 HydrophobicContact CB-CB 4.15Å; D642-E644 PolarHBondContact OD2-N 3.08Å; D642-G645 PolarHBondContact OD2-N 2.69Å; D642-D646 PolarHBondContact OD2-N 2.84Å; D642-I648 HydrophobicContact CB-CD1 4.1Å; D642-I648 HydrophobicContact CB-CG1 4.4Å
643R72.7Confident85Confident174 Ų17467 Ų6766%0.65737%0.369SS*.SBendtrans-74.3-32-175.4-179-179.2178.4171.3-1.6111.3
644E72.2Confident85Confident110 Ų11070.9 Ų70.951%0.51439%0.386SS..SBendtrans-85.1-19.6178.9-7066.9-151.500112.3D642D642-E644 PolarHBondContact OD2-N 3.08Å
645G71.3Confident84.8Confident63 Ų6366.1 Ų66.165%0.64937%0.367SS*.  trans90.324.3175.100000113.9D642D642-G645 PolarHBondContact OD2-N 2.69Å
646D79.5Confident84.8Confident67 Ų6765.8 Ų65.836%0.35837%0.365SS..PPolyproline II helixtrans-69.6151.6179.9-73.3-30.2000112.3D642 I648 D692D642-D646 PolarHBondContact OD2-N 2.84Å; D646-I648 PolarHBondContact O-N 3.25Å; D646-D692 HydrophobicContact CB-CB 4.08Å
647P83.4Confident84.6Confident111 Ų11169.5 Ų69.572%0.72139%0.392SS*.PPolyproline II helixtrans-66.5125.1178.1-17.630.6000112
648I86Confident84.5Confident31 Ų3171.4 Ų71.416%0.15940%0.398CS..PPolyproline II helixtrans-97.8132.1-176.4-57.1170.3000110.4P614 A640 D642 D646 Y650 A690 S691P614-I648 HydrophobicContact CB-CD1 4.15Å; P614-I648 HydrophobicContact CB-CG1 4.4Å; A640-I648 HydrophobicContact CB-CD1 4.08Å; A640-I648 HydrophobicContact CB-CG2 4.4Å; A640-I648 WeakPolarHBondContact O-CD1 3.34Å; D642-I648 HydrophobicContact CB-CD1 4.1Å; D642-I648 HydrophobicContact CB-CG1 4.4Å; D646-I648 PolarHBondContact O-N 3.25Å; I648-Y650 HydrophobicContact CB-CE2 4.47Å; I648-Y650 HydrophobicContact CG2-CE1 4.08Å; I648-Y650 HydrophobicContact CG2-CE2 4.02Å; I648-A690 HydrophobicContact CG2-CB 3.69Å; I648-S691 CarbonylContact C-O 3.57Å; I648-S691 WeakPolarHBondContact CA-O 3.26Å
649T88.2Confident84.5Confident77 Ų7780.9 Ų80.947%0.47243%0.434SS..EExtended strand (participates in β ladder)trans-106.7138169580000111.2E665 A690 S691T649-E665 WeakPolarHBondContact CA-O 3.42Å; T649-A690 WeakPolarHBondContact O-CA 3.29Å; T649-S691 PolarHBondContact N-O 2.61Å; T649-S691 PolarHBondContact O-N 3.2Å; T649-S691 PolarHBondContact OG1-O 3.03Å
650Y91.4Very high84.9Confident17 Ų1775.5 Ų75.57%0.06741%0.409CS..EExtended strand (participates in β ladder)trans-109.5136.5-179.8-60.4-85.8000111.8F616 L638 A640 I648 E665 T689 A690F616-Y650 HydrophobicContact CE1-CD1 4.33Å; F616-Y650 AromaticContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CZ-CD1 4.32Å; F616-Y650 HydrophobicContact CZ-CE1 4.22Å; L638-Y650 HydrophobicContact CB-CD1 4.41Å; L638-Y650 HydrophobicContact CB-CE1 4.31Å; L638-Y650 PolarHBondContact O-OH 2.84Å; A640-Y650 HydrophobicContact CB-CE1 3.99Å; A640-Y650 PolarHBondContact N-OH 2.77Å; I648-Y650 HydrophobicContact CB-CE2 4.47Å; I648-Y650 HydrophobicContact CG2-CE1 4.08Å; I648-Y650 HydrophobicContact CG2-CE2 4.02Å; Y650-E665 PolarHBondContact N-O 3.44Å; Y650-E665 WeakPolarHBondContact O-CA 3.48Å; Y650-T689 WeakPolarHBondContact CA-O 3.47Å; Y650-A690 HydrophobicContact CD1-CB 4.15Å; Y650-A690 HydrophobicContact CE1-CB 3.99Å
651A90.7Very high85.3Confident48 Ų4875.4 Ų75.440%0.39741%0.407SS..EExtended strand (participates in β ladder)trans-145.9144.4174.500000112.1E653 V688 T689A651-E653 PolarHBondContact O-N 3.5Å; A651-V688 CarbonylContact O-C 3.54Å; A651-V688 WeakPolarHBondContact O-CA 3.41Å; A651-V688 VanDerWaalsContact O-CG1 3.31Å; A651-V688 WeakPolarHBondContact O-CG1 3.48Å; A651-T689 PolarHBondContact N-O 3.22Å; A651-T689 VanDerWaalsContact N-O 3.09Å; A651-T689 PolarHBondContact O-N 3.41Å; A651-T689 PolarHBondContact O-OG1 3.34Å
652I91.2Very high85.9Confident46 Ų4675.3 Ų75.324%0.23640%0.403CS..EExtended strand (participates in β ladder)trans-80.4109.4166.6-56.1173.1000106.8N654 D656 F661 L663 L670 L686 V688I652-N654 WeakPolarHBondContact CG2-O 3.15Å; I652-D656 HydrophobicContact CG2-CB 4.34Å; I652-F661 HydrophobicContact CD1-CB 4.23Å; I652-L663 HydrophobicContact CD1-CB 3.95Å; I652-L663 HydrophobicContact CG1-CB 3.9Å; I652-L663 HydrophobicContact CG1-CD2 3.79Å; I652-L670 HydrophobicContact CD1-CD1 4.04Å; I652-L686 HydrophobicContact CD1-CD1 4.33Å; I652-L686 HydrophobicContact CG2-CB 4.42Å; I652-L686 HydrophobicContact CG2-CD2 4.47Å; I652-V688 HydrophobicContact CG1-CG1 4.37Å
653E88.8Confident86.5Confident128 Ų12875.6 Ų75.660%0.59840%0.404SS*.EExtended strand (participates in β ladder)trans-76.2-43.9178.2-178-178.9-170.200111A651 I687 T689A651-E653 PolarHBondContact O-N 3.5Å; E653-I687 HydrophobicContact CB-CB 4.49Å; E653-I687 HydrophobicContact CB-CG2 4.29Å; E653-I687 PolarHBondContact N-O 3.21Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.44Å; E653-T689 HydrophobicContact CB-CG2 4.12Å; E653-T689 WeakPolarHBondContact OE2-CG2 3.41Å
654N89.6Confident87.4Confident107 Ų10769.4 Ų69.457%0.57239%0.388SS*.EExtended strand (participates in β ladder)trans-152.7168-176.7-154-6.1000111.5I652 L686 I687I652-N654 WeakPolarHBondContact CG2-O 3.15Å; N654-L686 WeakPolarHBondContact O-CA 3.47Å; N654-I687 HydrophobicContact CB-CB 4.3Å; N654-I687 HydrophobicContact CB-CD1 4.25Å; N654-I687 HydrophobicContact CB-CG1 4.45Å; N654-I687 PolarHBondContact N-O 2.89Å; N654-I687 PolarHBondContact O-N 3.14Å
655G87.9Confident88.2Confident20 Ų2071 Ų7121%0.20640%0.395CS..SBendtrans99.3-8.8174.400000116.2I685 L686G655-I685 VanDerWaalsContact CA-O 3.25Å; G655-I685 WeakPolarHBondContact CA-O 3.29Å; G655-L686 WeakPolarHBondContact O-CD2 3.28Å
656D90.3Very high88.9Confident21 Ų2173.5 Ų73.511%0.11240%0.398CS..  trans-128.271.8177-174.112.9000112.7I652 Q658 R659 V660 F661 L686I652-D656 HydrophobicContact CG2-CB 4.34Å; D656-Q658 VanDerWaalsContact C-N 3.3Å; D656-Q658 PolarHBondContact O-N 3.03Å; D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 WeakPolarHBondContact OD1-CA 3.49Å; D656-R659 PolarHBondContact OD1-N 3.3Å; D656-R659 VanDerWaalsContact OD2-CA 3.32Å; D656-R659 WeakPolarHBondContact OD2-CA 3.17Å; D656-V660 VanDerWaalsContact CG-N 3.3Å; D656-V660 PolarHBondContact OD1-N 3.13Å; D656-V660 PolarHBondContact OD2-N 3.21Å; D656-F661 HydrophobicContact CB-CD2 4.34Å; D656-F661 PolarHBondContact OD2-N 3.31Å; D656-L686 HydrophobicContact CB-CD2 3.72Å
657P85.9Confident89.2Confident118 Ų11873.4 Ų73.477%0.76640%0.4SS*.THydrogen-bonded Turntrans-67.4-30.1-177.427-34.2000113R659P657-R659 VanDerWaalsContact C-N 3.34Å
658Q87.3Confident89.5Confident120 Ų12068.1 Ų68.156%0.56137%0.366SS*.THydrogen-bonded Turntrans-88.8-1.5-176.9-65.9-176.54.100113.3D656 V660 K674D656-Q658 VanDerWaalsContact C-N 3.3Å; D656-Q658 PolarHBondContact O-N 3.03Å; Q658-V660 HydrophobicContact CB-CG2 3.89Å; Q658-K674 PolarHBondContact O-NZ 3.08Å
659R89.6Confident89.8Confident200 Ų20069.2 Ų69.276%0.75537%0.371SS*.  trans53.752.6-175.1-58.3-174.7-179.2-171-1.8111.3D656 P657D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 WeakPolarHBondContact OD1-CA 3.49Å; D656-R659 PolarHBondContact OD1-N 3.3Å; D656-R659 VanDerWaalsContact OD2-CA 3.32Å; D656-R659 WeakPolarHBondContact OD2-CA 3.17Å; P657-R659 VanDerWaalsContact C-N 3.34Å
660V91.7Very high90.1Very high3 Ų365.6 Ų65.62%0.01835%0.349CS..  trans-75.3-34.8176.51800000110.2D656 Q658 L672 G673 K674 L676 Y684D656-V660 VanDerWaalsContact CG-N 3.3Å; D656-V660 PolarHBondContact OD1-N 3.13Å; D656-V660 PolarHBondContact OD2-N 3.21Å; Q658-V660 HydrophobicContact CB-CG2 3.89Å; V660-L672 HydrophobicContact CG1-CD1 4Å; V660-G673 CarbonylContact O-C 3.55Å; V660-G673 WeakPolarHBondContact O-CA 3.5Å; V660-G673 PolarHBondContact O-N 3.26Å; V660-K674 HydrophobicContact CG1-CB 4.49Å; V660-K674 PolarHBondContact O-N 3.2Å; V660-K674 VanDerWaalsContact O-N 3.12Å; V660-L676 HydrophobicContact CG1-CD2 3.59Å; V660-Y684 HydrophobicContact CG2-CE1 4.19Å
661F94Very high90.2Very high7 Ų766.1 Ų66.13%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-107.7143.9-177.1-54.2-79.2000111.7L635 I652 D656 L670 S671 L672 L676 Y684 L686 I705L635-F661 HydrophobicContact CD1-CD1 3.65Å; L635-F661 HydrophobicContact CD1-CE1 3.62Å; I652-F661 HydrophobicContact CD1-CB 4.23Å; D656-F661 HydrophobicContact CB-CD2 4.34Å; D656-F661 PolarHBondContact OD2-N 3.31Å; F661-L670 HydrophobicContact CB-CD1 3.91Å; F661-S671 WeakPolarHBondContact CA-O 3.2Å; F661-L672 HydrophobicContact CD1-CD1 4.13Å; F661-L672 HydrophobicContact CE1-CD1 3.88Å; F661-L676 HydrophobicContact CE1-CD2 4.45Å; F661-L676 HydrophobicContact CZ-CD2 4.12Å; F661-Y684 AromaticContact CE2-CD1 3.68Å; F661-Y684 HydrophobicContact CE2-CD1 3.68Å; F661-Y684 AromaticContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CE1 4.16Å; F661-Y684 HydrophobicContact CE2-CE2 4.25Å; F661-Y684 AromaticContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CE2-CG 3.47Å; F661-Y684 VanDerWaalsContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CZ-CD1 4.46Å; F661-Y684 AromaticContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CE2 4.16Å; F661-Y684 AromaticContact CZ-CG 3.89Å; F661-Y684 HydrophobicContact CZ-CG 3.89Å; F661-L686 HydrophobicContact CB-CD1 4.38Å; F661-L686 HydrophobicContact CD2-CD1 3.88Å; F661-L686 HydrophobicContact CD2-CD2 4.06Å; F661-L686 HydrophobicContact CE2-CD1 4.42Å; F661-L686 HydrophobicContact CE2-CD2 4.36Å; F661-L686 HydrophobicContact CG-CD1 4.11Å; F661-I705 HydrophobicContact CD1-CD1 3.85Å; F661-I705 HydrophobicContact CD2-CD1 4.32Å; F661-I705 HydrophobicContact CE1-CD1 3.41Å; F661-I705 VanDerWaalsContact CE1-CD1 3.41Å; F661-I705 HydrophobicContact CE1-CG2 4.47Å; F661-I705 HydrophobicContact CE2-CD1 3.94Å; F661-I705 HydrophobicContact CG-CD1 4.29Å; F661-I705 HydrophobicContact CZ-CD1 3.46Å; F661-I705 VanDerWaalsContact CZ-CD1 3.46Å; F661-I705 HydrophobicContact CZ-CG2 4.28Å
662N92.1Very high90.3Very high91 Ų9163.9 Ų63.949%0.48734%0.336SS..EExtended strand (participates in β ladder)trans-112.6117174.1-70.7-35000109.2S671 G673N662-S671 PolarHBondContact N-O 3.42Å; N662-S671 PolarHBondContact O-N 2.97Å; N662-S671 PolarHBondContact O-OG 2.93Å; N662-S671 VanDerWaalsContact O-OG 3.1Å; N662-G673 WeakPolarHBondContact ND2-CA 3.46Å
663L92.9Very high90.2Very high29 Ų2962.8 Ų62.815%0.15234%0.336CS..EExtended strand (participates in β ladder)trans-104.3126.5173.4-178.864.9000110.1L638 I652 E665 I669 L670 V688L638-L663 HydrophobicContact CD1-CD1 4.1Å; I652-L663 HydrophobicContact CD1-CB 3.95Å; I652-L663 HydrophobicContact CG1-CB 3.9Å; I652-L663 HydrophobicContact CG1-CD2 3.79Å; L663-E665 PolarHBondContact O-N 2.99Å; L663-I669 WeakPolarHBondContact CA-O 3.4Å; L663-L670 HydrophobicContact CB-CD1 4.06Å; L663-L670 HydrophobicContact CD1-CB 4.13Å; L663-L670 HydrophobicContact CD1-CD1 4.23Å; L663-V688 HydrophobicContact CD2-CG1 3.27Å
664S91.8Very high90.4Very high44 Ų4461.7 Ų61.731%0.30833%0.33SS..  trans-77.3117.4174.71770000111.1T666 T667 G668 I669S664-T666 PolarHBondContact O-N 2.99Å; S664-T666 VanDerWaalsContact O-N 3.15Å; S664-T667 WeakPolarHBondContact CB-OG1 3.37Å; S664-T667 PolarHBondContact O-N 2.73Å; S664-T667 PolarHBondContact OG-OG1 2.92Å; S664-G668 PolarHBondContact O-N 2.65Å; S664-I669 PolarHBondContact N-O 3.5Å
665E88.8Confident90.4Very high142 Ų14260 Ų6066%0.66433%0.33SS*.THydrogen-bonded Turntrans-56.9-31-176.8-65.3178.2-171.200114.2T649 Y650 L663T649-E665 WeakPolarHBondContact CA-O 3.42Å; Y650-E665 PolarHBondContact N-O 3.44Å; Y650-E665 WeakPolarHBondContact O-CA 3.48Å; L663-E665 PolarHBondContact O-N 2.99Å
666T85.2Confident90.6Very high116 Ų11659.6 Ų59.671%0.71232%0.323SS*.THydrogen-bonded Turntrans-101.1-25.6-174.653.60000114.3S664S664-T666 PolarHBondContact O-N 2.99Å; S664-T666 VanDerWaalsContact O-N 3.15Å
667T87.3Confident90.7Very high66 Ų6662 Ų6241%0.40534%0.336SS..THydrogen-bonded Turntrans-109.1-15.2-174.764.30000113.5N637 S664 I669N637-T667 PolarHBondContact OD1-O 2.82Å; S664-T667 WeakPolarHBondContact CB-OG1 3.37Å; S664-T667 PolarHBondContact O-N 2.73Å; S664-T667 PolarHBondContact OG-OG1 2.92Å; T667-I669 PolarHBondContact O-N 3.23Å; T667-I669 WeakPolarHBondContact OG1-CG1 3.18Å
668G88.7Confident91Very high0 Ų058 Ų580%031%0.306CS..  trans70.910-17600000114.1L638 S664 L670L638-G668 WeakPolarHBondContact CB-O 3.21Å; L638-G668 PolarHBondContact N-O 3.29Å; S664-G668 PolarHBondContact O-N 2.65Å; G668-L670 PolarHBondContact O-N 3.37Å
669I93.1Very high91.2Very high54 Ų5455.1 Ų55.128%0.27729%0.292SS..EExtended strand (participates in β ladder)trans-75.7116.8178.9-62.7174.1000109.7I634 L663 S664 T667I634-I669 HydrophobicContact CB-CG2 4.42Å; I634-I669 HydrophobicContact CD1-CG2 4.32Å; I634-I669 HydrophobicContact CG1-CG2 4.01Å; I634-I669 HydrophobicContact CG2-CG2 3.69Å; L663-I669 WeakPolarHBondContact CA-O 3.4Å; S664-I669 PolarHBondContact N-O 3.5Å; T667-I669 PolarHBondContact O-N 3.23Å; T667-I669 WeakPolarHBondContact OG1-CG1 3.18Å
670L93.4Very high91.2Very high1 Ų149.7 Ų49.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-92.6124.2172.4-173.269.7000109.2L635 L636 I652 F661 L663 G668 L686 V703 I705L635-L670 PolarHBondContact N-O 2.76Å; L636-L670 HydrophobicContact CB-CB 4.23Å; L636-L670 PolarHBondContact N-O 2.93Å; L636-L670 PolarHBondContact O-N 3.22Å; I652-L670 HydrophobicContact CD1-CD1 4.04Å; F661-L670 HydrophobicContact CB-CD1 3.91Å; L663-L670 HydrophobicContact CB-CD1 4.06Å; L663-L670 HydrophobicContact CD1-CB 4.13Å; L663-L670 HydrophobicContact CD1-CD1 4.23Å; G668-L670 PolarHBondContact O-N 3.37Å; L670-L686 HydrophobicContact CD1-CD1 4.26Å; L670-L686 HydrophobicContact CD2-CD1 4.1Å; L670-V703 HydrophobicContact CD2-CG1 4.11Å; L670-I705 HydrophobicContact CD2-CD1 4.12Å
671S93.3Very high91.1Very high27 Ų2751.4 Ų51.419%0.18930%0.295CS..EExtended strand (participates in β ladder)trans-132.4155.4-176.960.70000111.9A633 F661 N662 G673A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.29Å; A633-S671 WeakPolarHBondContact O-CB 3.32Å; F661-S671 WeakPolarHBondContact CA-O 3.2Å; N662-S671 PolarHBondContact N-O 3.42Å; N662-S671 PolarHBondContact O-N 2.97Å; N662-S671 PolarHBondContact O-OG 2.93Å; N662-S671 VanDerWaalsContact O-OG 3.1Å; S671-G673 PolarHBondContact O-N 2.87Å
672L93.5Very high90.8Very high1 Ų155.7 Ų55.71%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-79.4117.3179.1-172.563.7000110.7M629 G632 A633 L635 V660 F661 K674 L676M629-L672 HydrophobicContact CB-CD2 3.98Å; M629-L672 HydrophobicContact CG-CD2 3.95Å; G632-L672 WeakPolarHBondContact CA-O 3.17Å; G632-L672 PolarHBondContact N-O 3.47Å; A633-L672 PolarHBondContact O-N 2.8Å; L635-L672 HydrophobicContact CD1-CB 4.44Å; V660-L672 HydrophobicContact CG1-CD1 4Å; F661-L672 HydrophobicContact CD1-CD1 4.13Å; F661-L672 HydrophobicContact CE1-CD1 3.88Å; L672-K674 WeakPolarHBondContact CD1-O 3.11Å; L672-K674 WeakPolarHBondContact CG-O 3.2Å; L672-L676 HydrophobicContact CD1-CD1 4.04Å; L672-L676 HydrophobicContact CD1-CD2 3.84Å; L672-L676 HydrophobicContact CD1-CG 3.73Å; L672-L676 HydrophobicContact CD2-CD1 4.28Å; L672-L676 HydrophobicContact CD2-CG 4.2Å
673G89.9Confident90.8Very high23 Ų2358.1 Ų58.124%0.23732%0.321CS..  trans-93.2-29.1-17800000114.8I631 V660 N662 S671I631-G673 WeakPolarHBondContact CG2-O 3.38Å; V660-G673 CarbonylContact O-C 3.55Å; V660-G673 WeakPolarHBondContact O-CA 3.5Å; V660-G673 PolarHBondContact O-N 3.26Å; N662-G673 WeakPolarHBondContact ND2-CA 3.46Å; S671-G673 PolarHBondContact O-N 2.87Å
674K91.9Very high90.8Very high106 Ų10657.6 Ų57.646%0.46132%0.317SS..SBendtrans-132.2160176.4-67179.5-178.5171.20110.5Q658 V660 L672Q658-K674 PolarHBondContact O-NZ 3.08Å; V660-K674 HydrophobicContact CG1-CB 4.49Å; V660-K674 PolarHBondContact O-N 3.2Å; V660-K674 VanDerWaalsContact O-N 3.12Å; L672-K674 WeakPolarHBondContact CD1-O 3.11Å; L672-K674 WeakPolarHBondContact CG-O 3.2Å
675A90.8Very high90.8Very high70 Ų7059.1 Ų59.158%0.57932%0.321SS*.  trans-60.6144.6172.400000109.9I631I631-A675 HydrophobicContact CD1-CB 4.25Å; I631-A675 HydrophobicContact CG1-CB 4.38Å
676L91.8Very high91Very high12 Ų1252.4 Ų52.46%0.06329%0.29CS..  trans-88.8150.3172.6-64.9172.2000108.6V625 E627 V660 F661 L672 Y684 V707V625-L676 HydrophobicContact CB-CD1 4.25Å; V625-L676 HydrophobicContact CG1-CD1 3.62Å; E627-L676 HydrophobicContact CB-CB 4.16Å; V660-L676 HydrophobicContact CG1-CD2 3.59Å; F661-L676 HydrophobicContact CE1-CD2 4.45Å; F661-L676 HydrophobicContact CZ-CD2 4.12Å; L672-L676 HydrophobicContact CD1-CD1 4.04Å; L672-L676 HydrophobicContact CD1-CD2 3.84Å; L672-L676 HydrophobicContact CD1-CG 3.73Å; L672-L676 HydrophobicContact CD2-CD1 4.28Å; L672-L676 HydrophobicContact CD2-CG 4.2Å; L676-Y684 HydrophobicContact CD2-CE2 3.87Å; L676-V707 HydrophobicContact CB-CG1 4.32Å; L676-V707 HydrophobicContact CD1-CG1 4.36Å; L676-V707 HydrophobicContact CD1-CG2 4.32Å; L676-V707 HydrophobicContact CD2-CG2 4.49Å
677D91.4Very high91.3Very high71 Ų7149.7 Ų49.738%0.3827%0.27SS..  trans-141.4105.4174.6164.51.6000104.5E679 S680 T681D677-E679 VanDerWaalsContact C-N 3.33Å; D677-E679 PolarHBondContact OD1-N 2.81Å; D677-S680 PolarHBondContact O-N 2.68Å; D677-S680 PolarHBondContact OD1-N 2.91Å; D677-S680 VanDerWaalsContact OD1-N 3.13Å; D677-S680 WeakPolarHBondContact OD2-CB 3.2Å; D677-S680 PolarHBondContact OD2-OG 2.9Å; D677-T681 PolarHBondContact O-N 3.48Å
678R92.4Very high91.5Very high35 Ų3546.6 Ų46.613%0.13225%0.251CS..THydrogen-bonded Turntrans-69.3-35.9-173.1-170-160.26475.9-1110.8E627 S680 T681 D682 V707 D709 P744 D745E627-R678 HydrophobicContact CB-CB 4.42Å; E627-R678 WeakPolarHBondContact OE2-CB 3.44Å; E627-R678 PolarHBondContact OE2-N 3.11Å; R678-S680 PolarHBondContact O-N 3.44Å; R678-T681 CarbonylContact O-C 3.55Å; R678-T681 VanDerWaalsContact O-C 3.25Å; R678-T681 PolarHBondContact O-N 3.28Å; R678-T681 VanDerWaalsContact O-N 3.12Å; R678-D682 HydrophobicContact CG-CB 4.03Å; R678-D682 PolarHBondContact O-N 3.44Å; R678-V707 HydrophobicContact CB-CB 4.39Å; R678-V707 HydrophobicContact CB-CG1 3.8Å; R678-V707 HydrophobicContact CG-CB 4.07Å; R678-V707 HydrophobicContact CG-CG1 3.99Å; R678-D709 IonicContact CZ-OD1 3.28Å; R678-D709 IonicContact NE-OD1 3.42Å; R678-D709 PolarHBondContact NE-OD1 2.97Å; R678-D709 IonicContact NH2-OD1 3.21Å; R678-D709 PolarHBondContact NH2-OD1 3.46Å; R678-P744 PolarHBondContact NH2-O 2.82Å; R678-P744 VanDerWaalsContact NH2-O 3.11Å; R678-D745 VanDerWaalsContact NH2-C 3.27Å
679E92.1Very high91.6Very high59 Ų5947.9 Ų47.928%0.27626%0.259SS..THydrogen-bonded Turntrans-61.4-30.8179.4-71.358.8-108.100111D677 P744D677-E679 VanDerWaalsContact C-N 3.33Å; D677-E679 PolarHBondContact OD1-N 2.81Å; E679-P744 HydrophobicContact CG-CB 3.79Å; E679-P744 HydrophobicContact CG-CG 4.12Å
680S88.4Confident91.3Very high87 Ų8745.3 Ų45.361%0.60825%0.246SC*.THydrogen-bonded Turntrans-79.7-44.7171-72.80000113.5D677 R678D677-S680 PolarHBondContact O-N 2.68Å; D677-S680 PolarHBondContact OD1-N 2.91Å; D677-S680 VanDerWaalsContact OD1-N 3.13Å; D677-S680 WeakPolarHBondContact OD2-CB 3.2Å; D677-S680 PolarHBondContact OD2-OG 2.9Å; R678-S680 PolarHBondContact O-N 3.44Å
681T89.4Confident91Very high38 Ų3846.3 Ų46.323%0.23325%0.253CS..  trans-152.2109.7-179.6-540000111.3D677 R678 Y684D677-T681 PolarHBondContact O-N 3.48Å; R678-T681 CarbonylContact O-C 3.55Å; R678-T681 VanDerWaalsContact O-C 3.25Å; R678-T681 PolarHBondContact O-N 3.28Å; R678-T681 VanDerWaalsContact O-N 3.12Å; T681-Y684 HydrophobicContact CG2-CD1 4.28Å; T681-Y684 HydrophobicContact CG2-CD2 4.35Å; T681-Y684 HydrophobicContact CG2-CE1 3.81Å; T681-Y684 HydrophobicContact CG2-CE2 3.88Å
682D89.8Confident90.5Very high98 Ų9846.3 Ų46.352%0.52425%0.251SS..SBendtrans-83.9-20.3-174.366.4-18.4000114.4R678 V707R678-D682 HydrophobicContact CG-CB 4.03Å; R678-D682 PolarHBondContact O-N 3.44Å; D682-V707 WeakPolarHBondContact O-CB 3.39Å; D682-V707 PolarHBondContact O-N 3.27Å
683R92.1Very high89.7Confident142 Ų14249.5 Ų49.554%0.53628%0.284SS..EExtended strand (participates in β ladder)trans-148.4134.1-176.6-172.817564176.8-0.9112.6I685 N704 I705R683-I685 HydrophobicContact CG-CG1 4.3Å; R683-N704 WeakPolarHBondContact CD-OD1 2.92Å; R683-N704 WeakPolarHBondContact CG-OD1 3.43Å; R683-I705 WeakPolarHBondContact CA-O 3.37Å
684Y91.5Very high88.9Confident17 Ų1756.5 Ų56.57%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-114.7124171.4-63-92.9000110.5V660 F661 L676 T681 I705 V707V660-Y684 HydrophobicContact CG2-CE1 4.19Å; F661-Y684 AromaticContact CE2-CD1 3.68Å; F661-Y684 HydrophobicContact CE2-CD1 3.68Å; F661-Y684 AromaticContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CE1 4.16Å; F661-Y684 HydrophobicContact CE2-CE2 4.25Å; F661-Y684 AromaticContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CE2-CG 3.47Å; F661-Y684 VanDerWaalsContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CZ-CD1 4.46Å; F661-Y684 AromaticContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CE2 4.16Å; F661-Y684 AromaticContact CZ-CG 3.89Å; F661-Y684 HydrophobicContact CZ-CG 3.89Å; L676-Y684 HydrophobicContact CD2-CE2 3.87Å; T681-Y684 HydrophobicContact CG2-CD1 4.28Å; T681-Y684 HydrophobicContact CG2-CD2 4.35Å; T681-Y684 HydrophobicContact CG2-CE1 3.81Å; T681-Y684 HydrophobicContact CG2-CE2 3.88Å; Y684-I705 PolarHBondContact N-O 2.94Å; Y684-I705 PolarHBondContact O-N 2.64Å; Y684-V707 HydrophobicContact CD2-CG2 4.05Å; Y684-V707 HydrophobicContact CE2-CG2 4Å
685I92.4Very high87.8Confident77 Ų7757.1 Ų57.140%0.39532%0.318SS..EExtended strand (participates in β ladder)trans-108.592.3174.9-57.4176.3000107.5G655 R683 T702G655-I685 VanDerWaalsContact CA-O 3.25Å; G655-I685 WeakPolarHBondContact CA-O 3.29Å; R683-I685 HydrophobicContact CG-CG1 4.3Å; I685-T702 HydrophobicContact CG2-CG2 3.48Å; I685-T702 VanDerWaalsContact CG2-CG2 3.48Å
686L93.1Very high86.7Confident0 Ų061 Ų610%033%0.329CS..EExtended strand (participates in β ladder)trans-83.1129.4-179.5-48.5-177.9000109.6I652 N654 G655 D656 F661 L670 V688 T702 V703 I705I652-L686 HydrophobicContact CD1-CD1 4.33Å; I652-L686 HydrophobicContact CG2-CB 4.42Å; I652-L686 HydrophobicContact CG2-CD2 4.47Å; N654-L686 WeakPolarHBondContact O-CA 3.47Å; G655-L686 WeakPolarHBondContact O-CD2 3.28Å; D656-L686 HydrophobicContact CB-CD2 3.72Å; F661-L686 HydrophobicContact CB-CD1 4.38Å; F661-L686 HydrophobicContact CD2-CD1 3.88Å; F661-L686 HydrophobicContact CD2-CD2 4.06Å; F661-L686 HydrophobicContact CE2-CD1 4.42Å; F661-L686 HydrophobicContact CE2-CD2 4.36Å; F661-L686 HydrophobicContact CG-CD1 4.11Å; L670-L686 HydrophobicContact CD1-CD1 4.26Å; L670-L686 HydrophobicContact CD2-CD1 4.1Å; L686-V688 HydrophobicContact CB-CG2 4.35Å; L686-T702 CarbonylContact O-C 3.57Å; L686-T702 WeakPolarHBondContact O-CA 3.38Å; L686-V703 HydrophobicContact CB-CB 4.19Å; L686-V703 PolarHBondContact N-O 3.36Å; L686-V703 PolarHBondContact O-N 2.97Å; L686-I705 HydrophobicContact CD1-CD1 3.69Å; L686-I705 HydrophobicContact CG-CD1 4.3Å
687I91.1Very high85.9Confident59 Ų5960.6 Ų60.630%0.30333%0.328SS..EExtended strand (participates in β ladder)trans-95.1112.8167.9-58.5179.9000106.5E653 N654 T700E653-I687 HydrophobicContact CB-CB 4.49Å; E653-I687 HydrophobicContact CB-CG2 4.29Å; E653-I687 PolarHBondContact N-O 3.21Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.44Å; N654-I687 HydrophobicContact CB-CB 4.3Å; N654-I687 HydrophobicContact CB-CD1 4.25Å; N654-I687 HydrophobicContact CB-CG1 4.45Å; N654-I687 PolarHBondContact N-O 2.89Å; N654-I687 PolarHBondContact O-N 3.14Å; I687-T700 HydrophobicContact CG2-CG2 4.33Å
688V92.1Very high85.4Confident1 Ų160.8 Ų60.81%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-110132.9-177.3-138.60000108.8L638 A651 I652 L663 L686 T700 A701 V703L638-V688 HydrophobicContact CD1-CB 4.15Å; L638-V688 HydrophobicContact CD1-CG1 3.78Å; L638-V688 HydrophobicContact CD1-CG2 4.05Å; A651-V688 CarbonylContact O-C 3.54Å; A651-V688 WeakPolarHBondContact O-CA 3.41Å; A651-V688 VanDerWaalsContact O-CG1 3.31Å; A651-V688 WeakPolarHBondContact O-CG1 3.48Å; I652-V688 HydrophobicContact CG1-CG1 4.37Å; L663-V688 HydrophobicContact CD2-CG1 3.27Å; L686-V688 HydrophobicContact CB-CG2 4.35Å; V688-T700 CarbonylContact O-C 3.5Å; V688-T700 WeakPolarHBondContact O-CA 3.48Å; V688-A701 PolarHBondContact N-O 2.93Å; V688-A701 PolarHBondContact O-N 2.84Å; V688-V703 HydrophobicContact CG2-CB 4.07Å; V688-V703 HydrophobicContact CG2-CG2 3.4Å; V688-V703 VanDerWaalsContact CG2-CG2 3.4Å
689T89.5Confident85Confident28 Ų2860 Ų6017%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-107.5139.4178.8500000109.7Y650 A651 E653 S699 T700Y650-T689 WeakPolarHBondContact CA-O 3.47Å; A651-T689 PolarHBondContact N-O 3.22Å; A651-T689 VanDerWaalsContact N-O 3.09Å; A651-T689 PolarHBondContact O-N 3.41Å; A651-T689 PolarHBondContact O-OG1 3.34Å; E653-T689 HydrophobicContact CB-CG2 4.12Å; E653-T689 WeakPolarHBondContact OE2-CG2 3.41Å; T689-S699 CarbonylContact C-O 3.48Å; T689-S699 WeakPolarHBondContact CA-O 3.42Å; T689-T700 HydrophobicContact CG2-CG2 3.74Å
690A88.3Confident84.9Confident0 Ų061 Ų610%034%0.342CS..EExtended strand (participates in β ladder)trans-111.8127163.500000108.1F616 A640 I648 T649 Y650 T698 S699F616-A690 HydrophobicContact CD2-CB 4.47Å; F616-A690 HydrophobicContact CE1-CB 4.2Å; F616-A690 HydrophobicContact CE2-CB 3.53Å; F616-A690 HydrophobicContact CZ-CB 3.37Å; A640-A690 HydrophobicContact CB-CB 3.66Å; I648-A690 HydrophobicContact CG2-CB 3.69Å; T649-A690 WeakPolarHBondContact O-CA 3.29Å; Y650-A690 HydrophobicContact CD1-CB 4.15Å; Y650-A690 HydrophobicContact CE1-CB 3.99Å; A690-T698 WeakPolarHBondContact O-CA 3.37Å; A690-S699 PolarHBondContact N-O 3.37Å; A690-S699 PolarHBondContact O-N 2.96Å
691S87.2Confident84.9Confident21 Ų2156.8 Ų56.815%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-126.5134.2-179.2-175.60000111.4I648 T649 G693I648-S691 CarbonylContact C-O 3.57Å; I648-S691 WeakPolarHBondContact CA-O 3.26Å; T649-S691 PolarHBondContact N-O 2.61Å; T649-S691 PolarHBondContact O-N 3.2Å; T649-S691 PolarHBondContact OG1-O 3.03Å; S691-G693 PolarHBondContact O-N 3.46Å; S691-G693 PolarHBondContact OG-N 2.8Å; S691-G693 VanDerWaalsContact OG-N 3.13Å
692D82.4Confident85Confident28 Ų2857.1 Ų57.115%0.1531%0.314CS..  trans-800.3168.968.8-1.2000113.1P614 D646 R694 G697P614-D692 HydrophobicContact CG-CB 4.36Å; D646-D692 HydrophobicContact CB-CB 4.08Å; D692-R694 WeakPolarHBondContact OD1-CB 3.24Å; D692-R694 PolarHBondContact OD1-N 3.09Å; D692-G697 PolarHBondContact N-O 3.21Å; D692-G697 WeakPolarHBondContact OD1-CA 3.37Å
693G76.3Confident85.1Confident67 Ų6752.4 Ų52.469%0.69129%0.289SS*.SBendtrans92.6-2.1-176.200000115.6S691S691-G693 PolarHBondContact O-N 3.46Å; S691-G693 PolarHBondContact OG-N 2.8Å; S691-G693 VanDerWaalsContact OG-N 3.13Å
694R73.6Confident85.1Confident170 Ų17047.1 Ų47.164%0.64227%0.271SS*.SBendtrans-97152.8175-68.2178.8163.6-175.91112.2D692 D696 G697D692-R694 WeakPolarHBondContact OD1-CB 3.24Å; D692-R694 PolarHBondContact OD1-N 3.09Å; R694-D696 VanDerWaalsContact C-N 3.26Å; R694-D696 PolarHBondContact O-N 2.9Å; R694-G697 PolarHBondContact O-N 2.85Å
695P68.6Low85.2Confident119 Ų11946.3 Ų46.377%0.77327%0.268SS*.THydrogen-bonded Turntrans-59.6-35.9-179.6-2131.5000113.6
696D68.2Low85.2Confident151 Ų15145 Ų4581%0.80726%0.264SS*.THydrogen-bonded Turntrans-99.92.5-176.5-45.5-29.9000112.2R694R694-D696 VanDerWaalsContact C-N 3.26Å; R694-D696 PolarHBondContact O-N 2.9Å
697G73.2Confident85.1Confident4 Ų445.2 Ų45.24%0.04127%0.265CS..  trans-103.938.8-174.300000113D692 R694D692-G697 PolarHBondContact N-O 3.21Å; D692-G697 WeakPolarHBondContact OD1-CA 3.37Å; R694-G697 PolarHBondContact O-N 2.85Å
698T82.3Confident85.1Confident75 Ų7544.6 Ų44.646%0.4626%0.264SS..EExtended strand (participates in β ladder)trans-109.813717754.40000111A690A690-T698 WeakPolarHBondContact O-CA 3.37Å
699S84.3Confident85.2Confident20 Ų2046.1 Ų46.114%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-122.2149.7165.462.20000110.1P614 T689 A690P614-S699 WeakPolarHBondContact O-CB 3.35Å; P614-S699 PolarHBondContact O-OG 3.01Å; T689-S699 CarbonylContact C-O 3.48Å; T689-S699 WeakPolarHBondContact CA-O 3.42Å; A690-S699 PolarHBondContact N-O 3.37Å; A690-S699 PolarHBondContact O-N 2.96Å
700T88.2Confident85.2Confident78 Ų7847 Ų4748%0.47928%0.277SS..EExtended strand (participates in β ladder)trans-111.6141.4178.148.60000109.4I687 V688 T689I687-T700 HydrophobicContact CG2-CG2 4.33Å; V688-T700 CarbonylContact O-C 3.5Å; V688-T700 WeakPolarHBondContact O-CA 3.48Å; T689-T700 HydrophobicContact CG2-CG2 3.74Å
701A89.3Confident85.4Confident0 Ų048.4 Ų48.40%029%0.285CS..EExtended strand (participates in β ladder)trans-127.8144.1164.700000108.7F616 L619 Y621 V688F616-A701 HydrophobicContact CB-CB 4.2Å; F616-A701 HydrophobicContact CD1-CB 3.97Å; F616-A701 HydrophobicContact CD2-CB 3.49Å; F616-A701 VanDerWaalsContact CD2-CB 3.49Å; F616-A701 HydrophobicContact CE1-CB 4.16Å; F616-A701 HydrophobicContact CE2-CB 3.69Å; F616-A701 HydrophobicContact CG-CB 3.63Å; F616-A701 HydrophobicContact CZ-CB 4.02Å; L619-A701 CarbonylContact O-C 3.48Å; L619-A701 WeakPolarHBondContact O-CA 3.2Å; Y621-A701 HydrophobicContact CD2-CB 4.2Å; Y621-A701 HydrophobicContact CE2-CB 3.98Å; V688-A701 PolarHBondContact N-O 2.93Å; V688-A701 PolarHBondContact O-N 2.84Å
702T90.7Very high85.6Confident44 Ų4451.2 Ų51.227%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-96.6123.6175.6-24.20000108.8L619 M620 Y621 I685 L686L619-T702 PolarHBondContact O-N 3.15Å; M620-T702 CarbonylContact C-O 3.59Å; M620-T702 VanDerWaalsContact CA-O 3.24Å; M620-T702 WeakPolarHBondContact CA-O 3.3Å; Y621-T702 PolarHBondContact N-O 2.84Å; I685-T702 HydrophobicContact CG2-CG2 3.48Å; I685-T702 VanDerWaalsContact CG2-CG2 3.48Å; L686-T702 CarbonylContact O-C 3.57Å; L686-T702 WeakPolarHBondContact O-CA 3.38Å
703V92.6Very high86.1Confident0 Ų052.4 Ų52.40%031%0.305CS..EExtended strand (participates in β ladder)trans-104.2107.9172.1179.60000108Y621 L623 L636 L638 L670 L686 V688 I705Y621-V703 HydrophobicContact CD2-CG2 4.26Å; Y621-V703 CarbonylContact O-C 3.52Å; Y621-V703 WeakPolarHBondContact O-CA 3.47Å; L623-V703 HydrophobicContact CD2-CG1 3.61Å; L636-V703 HydrophobicContact CD1-CG1 3.68Å; L636-V703 HydrophobicContact CD1-CG2 4.43Å; L638-V703 HydrophobicContact CD1-CG2 4.21Å; L638-V703 HydrophobicContact CD2-CG2 4Å; L670-V703 HydrophobicContact CD2-CG1 4.11Å; L686-V703 HydrophobicContact CB-CB 4.19Å; L686-V703 PolarHBondContact N-O 3.36Å; L686-V703 PolarHBondContact O-N 2.97Å; V688-V703 HydrophobicContact CG2-CB 4.07Å; V688-V703 HydrophobicContact CG2-CG2 3.4Å; V688-V703 VanDerWaalsContact CG2-CG2 3.4Å; V703-I705 HydrophobicContact CG1-CD1 4.34Å; V703-I705 HydrophobicContact CG1-CG1 3.88Å
704N92.4Very high86.8Confident30 Ų3050.6 Ų50.616%0.1628%0.284CS..EExtended strand (participates in β ladder)trans-92.4107.1176.1-176.540.1000109.4Y621 S622 L623 R683Y621-N704 PolarHBondContact O-N 2.67Å; S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.5Å; L623-N704 PolarHBondContact N-O 2.88Å; R683-N704 WeakPolarHBondContact CD-OD1 2.92Å; R683-N704 WeakPolarHBondContact CG-OD1 3.43Å
705I92.5Very high87.9Confident0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-101110.4176.8-52.5176.6000107.2L623 V625 L635 F661 L670 R683 Y684 L686 V703L623-I705 HydrophobicContact CD2-CB 4.48Å; L623-I705 HydrophobicContact CD2-CG1 3.74Å; L623-I705 HydrophobicContact CG-CG1 4.24Å; V625-I705 HydrophobicContact CB-CG2 4.11Å; V625-I705 HydrophobicContact CG2-CG2 3.71Å; L635-I705 HydrophobicContact CD1-CD1 4.42Å; F661-I705 HydrophobicContact CD1-CD1 3.85Å; F661-I705 HydrophobicContact CD2-CD1 4.32Å; F661-I705 HydrophobicContact CE1-CD1 3.41Å; F661-I705 VanDerWaalsContact CE1-CD1 3.41Å; F661-I705 HydrophobicContact CE1-CG2 4.47Å; F661-I705 HydrophobicContact CE2-CD1 3.94Å; F661-I705 HydrophobicContact CG-CD1 4.29Å; F661-I705 HydrophobicContact CZ-CD1 3.46Å; F661-I705 VanDerWaalsContact CZ-CD1 3.46Å; F661-I705 HydrophobicContact CZ-CG2 4.28Å; L670-I705 HydrophobicContact CD2-CD1 4.12Å; R683-I705 WeakPolarHBondContact CA-O 3.37Å; Y684-I705 PolarHBondContact N-O 2.94Å; Y684-I705 PolarHBondContact O-N 2.64Å; L686-I705 HydrophobicContact CD1-CD1 3.69Å; L686-I705 HydrophobicContact CG-CD1 4.3Å; V703-I705 HydrophobicContact CG1-CD1 4.34Å; V703-I705 HydrophobicContact CG1-CG1 3.88Å
706V92.2Very high89.1Confident49 Ų4941.3 Ų41.330%0.29724%0.243SC..EExtended strand (participates in β ladder)trans-91124.7171179.80000107.4L623 E624 V625L623-V706 PolarHBondContact O-N 3.36Å; E624-V706 CarbonylContact C-O 3.57Å; E624-V706 WeakPolarHBondContact CA-O 3.46Å; E624-V706 HydrophobicContact CG-CB 4.32Å; V625-V706 PolarHBondContact N-O 2.8Å
707V92.7Very high90.3Very high6 Ų635.1 Ų35.14%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-85.8117.7177.6-174.90000108V625 E627 L676 R678 D682 Y684V625-V707 CarbonylContact O-C 3.52Å; V625-V707 VanDerWaalsContact O-CA 3.25Å; V625-V707 WeakPolarHBondContact O-CA 3.46Å; E627-V707 HydrophobicContact CB-CG1 3.76Å; L676-V707 HydrophobicContact CB-CG1 4.32Å; L676-V707 HydrophobicContact CD1-CG1 4.36Å; L676-V707 HydrophobicContact CD1-CG2 4.32Å; L676-V707 HydrophobicContact CD2-CG2 4.49Å; R678-V707 HydrophobicContact CB-CB 4.39Å; R678-V707 HydrophobicContact CB-CG1 3.8Å; R678-V707 HydrophobicContact CG-CB 4.07Å; R678-V707 HydrophobicContact CG-CG1 3.99Å; D682-V707 WeakPolarHBondContact O-CB 3.39Å; D682-V707 PolarHBondContact O-N 3.27Å; Y684-V707 HydrophobicContact CD2-CG2 4.05Å; Y684-V707 HydrophobicContact CE2-CG2 4Å
708T91.2Very high91.1Very high46 Ų4638 Ų3828%0.28222%0.224SC..EExtended strand (participates in β ladder)trans-87.1133178.663.40000110.2E624 V625 S626 E627E624-T708 HydrophobicContact CB-CG2 3.65Å; E624-T708 HydrophobicContact CG-CG2 3.92Å; V625-T708 PolarHBondContact O-N 3.32Å; S626-T708 WeakPolarHBondContact CA-O 3.28Å; S626-T708 WeakPolarHBondContact CA-OG1 3.44Å; S626-T708 PolarHBondContact N-OG1 2.78Å; E627-T708 PolarHBondContact N-O 3.13Å; E627-T708 VanDerWaalsContact N-O 3.13Å
709D92.6Very high91.4Very high32 Ų3239.1 Ų39.117%0.17123%0.232CC..PPolyproline II helixtrans-63.6145.9-177.3-173.187.6000113.8R678 A746 N749R678-D709 IonicContact CZ-OD1 3.28Å; R678-D709 IonicContact NE-OD1 3.42Å; R678-D709 PolarHBondContact NE-OD1 2.97Å; R678-D709 IonicContact NH2-OD1 3.21Å; R678-D709 PolarHBondContact NH2-OD1 3.46Å; D709-A746 HydrophobicContact CB-CB 3.84Å; D709-A746 VanDerWaalsContact CG-N 3.27Å; D709-A746 PolarHBondContact OD1-N 3.36Å; D709-A746 PolarHBondContact OD2-N 3.15Å; D709-N749 WeakPolarHBondContact OD2-CB 3.28Å; D709-N749 PolarHBondContact OD2-ND2 3.36Å
710V90.4Very high91.6Very high46 Ų4648.1 Ų48.128%0.27927%0.265SS..  trans-132.6132172.41760000107.3S626 E627 A628 D712S626-V710 VanDerWaalsContact OG-CG2 3.25Å; S626-V710 WeakPolarHBondContact OG-CG2 3.44Å; E627-V710 HydrophobicContact CG-CB 4.01Å; E627-V710 HydrophobicContact CG-CG2 4.02Å; E627-V710 PolarHBondContact OE1-N 3.19Å; A628-V710 HydrophobicContact CB-CG1 4.42Å; A628-V710 HydrophobicContact CB-CG2 3.91Å; V710-D712 VanDerWaalsContact C-N 3.31Å; V710-D712 PolarHBondContact O-N 2.97Å
711N92.7Very high91.6Very high30 Ų3045.9 Ų45.916%0.1625%0.249CC..  trans-66.384.9177.9-174.33.4000112.4N713 D745 N749 D793 A795 R799N711-N713 PolarHBondContact OD1-O 2.9Å; N711-D745 WeakPolarHBondContact CA-OD2 3.45Å; N711-D745 PolarHBondContact OD1-OD2 3.49Å; N711-N749 HydrophobicContact CB-CB 3.96Å; N711-D793 VanDerWaalsContact ND2-CG 3.27Å; N711-D793 PolarHBondContact ND2-OD1 3.06Å; N711-D793 PolarHBondContact ND2-OD2 3Å; N711-D793 PolarHBondContact OD1-OD2 2.91Å; N711-A795 HydrophobicContact CB-CB 4.24Å; N711-A795 WeakPolarHBondContact ND2-CB 3.42Å; N711-R799 WeakPolarHBondContact OD1-CD 3.26Å
712D90.6Very high91.6Very high81 Ų8149.8 Ų49.843%0.43327%0.274SS..  trans-114.4-14.8179.281.3-16.3000113.6V710 D745 R799V710-D712 VanDerWaalsContact C-N 3.31Å; V710-D712 PolarHBondContact O-N 2.97Å; D712-D745 PolarHBondContact N-OD2 3.32Å; D712-R799 PolarHBondContact O-NH2 2.87Å
713N92.6Very high91.6Very high53 Ų5354.2 Ų54.228%0.28329%0.286SS..SBendtrans-90.4174.8169.6-64.8-72.9000111.3N711 P744 D745 R799N711-N713 PolarHBondContact OD1-O 2.9Å; N713-P744 HydrophobicContact CB-CG 3.66Å; N713-D745 WeakPolarHBondContact CB-OD1 3.26Å; N713-D745 PolarHBondContact N-OD2 2.86Å; N713-D745 PolarHBondContact ND2-OD1 2.89Å; N713-R799 WeakPolarHBondContact O-CD 3.48Å; N713-R799 PolarHBondContact O-NE 3.25Å
714A92.3Very high91.6Very high29 Ų2960.1 Ų60.124%0.2432%0.318CS..  trans-140.6151.5174.200000107.5V716 D743 R799A714-V716 VanDerWaalsContact O-CG2 3.32Å; A714-V716 WeakPolarHBondContact O-CG2 3.47Å; A714-V716 PolarHBondContact O-N 3.19Å; A714-D743 WeakPolarHBondContact CA-OD2 3.32Å; A714-R799 HydrophobicContact CB-CB 3.79Å
715P95.6Very high91.7Very high1 Ų159.9 Ų59.91%0.00632%0.317CS..  trans-59.4130.4-176.5-25.433.2000110.7A741 D743 V752 A791 D793 S801P715-A741 HydrophobicContact CB-CB 4.37Å; P715-D743 HydrophobicContact CB-CB 4.41Å; P715-D743 WeakPolarHBondContact CD-OD2 3.36Å; P715-D743 HydrophobicContact CG-CB 4.26Å; P715-D743 WeakPolarHBondContact CG-OD2 3.43Å; P715-V752 HydrophobicContact CB-CG1 4.28Å; P715-V752 HydrophobicContact CB-CG2 4.05Å; P715-V752 HydrophobicContact CG-CG2 4.3Å; P715-A791 HydrophobicContact CB-CB 3.98Å; P715-D793 HydrophobicContact CG-CB 4.13Å; P715-S801 WeakPolarHBondContact O-CB 3.32Å; P715-S801 PolarHBondContact O-OG 3.06Å
716V93.7Very high91.7Very high92 Ų9262.9 Ų62.956%0.55834%0.338SS*.EExtended strand (participates in β ladder)trans-112.8122.2179.7-175.10000109.9A714 A741 T742A714-V716 VanDerWaalsContact O-CG2 3.32Å; A714-V716 WeakPolarHBondContact O-CG2 3.47Å; A714-V716 PolarHBondContact O-N 3.19Å; V716-A741 CarbonylContact O-C 3.5Å; V716-A741 WeakPolarHBondContact O-CA 3.49Å; V716-T742 PolarHBondContact N-O 3.46Å; V716-T742 PolarHBondContact O-N 2.92Å
717F93.9Very high91.7Very high21 Ų2160.9 Ų60.99%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-66142.1172.1-74.1-77.5000111.6P719 L721 V739 R740 A741 Y754 V789 A791 S801 L803F717-P719 WeakPolarHBondContact O-CD 3.48Å; F717-L721 HydrophobicContact CB-CD1 4.48Å; F717-L721 HydrophobicContact CD1-CD1 4.4Å; F717-V739 HydrophobicContact CD1-CB 4.22Å; F717-V739 HydrophobicContact CE1-CB 3.99Å; F717-V739 HydrophobicContact CE1-CG2 3.99Å; F717-R740 WeakPolarHBondContact CA-O 3.3Å; F717-A741 HydrophobicContact CD1-CB 3.83Å; F717-A741 HydrophobicContact CE1-CB 4.09Å; F717-A741 HydrophobicContact CG-CB 4.14Å; F717-Y754 HydrophobicContact CE1-CD1 4.31Å; F717-Y754 HydrophobicContact CE1-CE1 4.1Å; F717-V789 HydrophobicContact CE1-CG1 4.35Å; F717-V789 HydrophobicContact CZ-CB 4.43Å; F717-V789 HydrophobicContact CZ-CG1 4.13Å; F717-A791 HydrophobicContact CE1-CB 4.04Å; F717-A791 HydrophobicContact CE2-CB 3.69Å; F717-A791 HydrophobicContact CZ-CB 3.41Å; F717-A791 VanDerWaalsContact CZ-CB 3.41Å; F717-S801 WeakPolarHBondContact CD2-OG 3.15Å; F717-S801 WeakPolarHBondContact CE2-OG 3.08Å; F717-L803 HydrophobicContact CB-CD2 4.46Å; F717-L803 HydrophobicContact CD1-CB 4.33Å; F717-L803 HydrophobicContact CD1-CD2 4.01Å; F717-L803 HydrophobicContact CD2-CB 3.76Å; F717-L803 HydrophobicContact CE1-CB 4.38Å; F717-L803 HydrophobicContact CE1-CD2 4.45Å; F717-L803 HydrophobicContact CE2-CB 3.8Å; F717-L803 HydrophobicContact CG-CB 4.03Å; F717-L803 HydrophobicContact CG-CD2 4.16Å; F717-L803 HydrophobicContact CZ-CB 4.12Å
718D90.9Very high91.7Very high65 Ų6563 Ų6335%0.34834%0.338SS..  trans-59120.9174.9178.7-9.6000110.3Y720 L721 R740D718-Y720 PolarHBondContact O-N 3.47Å; D718-Y720 VanDerWaalsContact O-N 3.15Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.28Å; D718-Y720 PolarHBondContact OD1-N 3.21Å; D718-L721 HydrophobicContact CB-CD1 4.01Å; D718-L721 HydrophobicContact CB-CG 3.89Å; D718-L721 WeakPolarHBondContact O-CD1 3.4Å; D718-L721 VanDerWaalsContact O-CG 3.31Å; D718-L721 WeakPolarHBondContact O-CG 3.48Å; D718-L721 PolarHBondContact O-N 3.42Å; D718-R740 PolarHBondContact N-O 3.13Å
719P87.6Confident91.8Very high98 Ų9860.8 Ų60.864%0.63633%0.325SS*.THydrogen-bonded Turntrans-65.7-16-17626.6-35.2000113.8F717F717-P719 WeakPolarHBondContact O-CD 3.48Å
720Y89.2Confident91.6Very high210 Ų21062.2 Ų62.282%0.82433%0.33SS*.THydrogen-bonded Turntrans-92.23.7-178.4-57.6-72.5000114D718D718-Y720 PolarHBondContact O-N 3.47Å; D718-Y720 VanDerWaalsContact O-N 3.15Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.28Å; D718-Y720 PolarHBondContact OD1-N 3.21Å
721L88.5Confident91.5Very high31 Ų3165 Ų6516%0.16234%0.34CS..SBendtrans-64.5138.6178.1-68.2166.6000112.1F717 D718 R723 V739 L803F717-L721 HydrophobicContact CB-CD1 4.48Å; F717-L721 HydrophobicContact CD1-CD1 4.4Å; D718-L721 HydrophobicContact CB-CD1 4.01Å; D718-L721 HydrophobicContact CB-CG 3.89Å; D718-L721 WeakPolarHBondContact O-CD1 3.4Å; D718-L721 VanDerWaalsContact O-CG 3.31Å; D718-L721 WeakPolarHBondContact O-CG 3.48Å; D718-L721 PolarHBondContact O-N 3.42Å; L721-R723 PolarHBondContact O-N 2.84Å; L721-V739 HydrophobicContact CD1-CB 4.28Å; L721-L803 HydrophobicContact CD1-CD2 4.2Å
722P89.2Confident91.3Very high81 Ų8165.7 Ų65.753%0.52635%0.35SS..  trans-66.1122.5173.626.4-31.6000110.3L725P722-L725 HydrophobicContact CB-CD2 4.16Å; P722-L725 HydrophobicContact CG-CD2 3.97Å
723R89.9Confident91.4Very high137 Ų13765.9 Ų65.952%0.51735%0.351SS..SBendtrans-86.7-20.5178.3-64.4-179.2-177.6-106.2-2.9113.5L721 L803 L805 Y806L721-R723 PolarHBondContact O-N 2.84Å; R723-L803 VanDerWaalsContact NH1-CD1 3.34Å; R723-L805 CarbonylContact O-C 3.55Å; R723-L805 WeakPolarHBondContact O-CA 3.31Å; R723-Y806 PolarHBondContact O-N 2.87Å
724N93.1Very high91.3Very high125 Ų12563.8 Ų63.867%0.66834%0.341SS*.EExtended strand (participates in β ladder)trans-106.7112.6177-63.5-13.7000108Y806N724-Y806 CarbonylContact C-O 3.24Å; N724-Y806 VanDerWaalsContact CA-O 3.32Å; N724-Y806 WeakPolarHBondContact CA-O 3.41Å
725L93.8Very high91.3Very high25 Ų2567.9 Ų67.913%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-114.3163.6178.9-57.6177.6000109P722 V736 L805 Y806 I807 K808P722-L725 HydrophobicContact CB-CD2 4.16Å; P722-L725 HydrophobicContact CG-CD2 3.97Å; L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 4.13Å; L725-L805 HydrophobicContact CD1-CD1 3.97Å; L725-Y806 PolarHBondContact N-O 2.65Å; L725-I807 HydrophobicContact CB-CG1 4.37Å; L725-I807 CarbonylContact O-C 3.57Å; L725-I807 WeakPolarHBondContact O-CA 3.38Å; L725-K808 PolarHBondContact O-N 3.06Å
726S92.6Very high91.1Very high63 Ų6368.2 Ų68.244%0.44136%0.356SS..EExtended strand (participates in β ladder)trans-139.1145.4174.257.20000110.7K808S726-K808 CarbonylContact C-O 3.53Å; S726-K808 WeakPolarHBondContact CA-O 3.32Å
727V93.4Very high91Very high6 Ų664.2 Ų64.24%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-134.7143177.166.60000109A734 V736 T773 L777 I807 K808 V809 L810V727-A734 HydrophobicContact CG2-CB 3.74Å; V727-V736 HydrophobicContact CB-CG2 4.17Å; V727-V736 HydrophobicContact CG2-CG2 4.05Å; V727-T773 HydrophobicContact CG2-CG2 3.9Å; V727-L777 HydrophobicContact CG1-CD1 3.8Å; V727-I807 HydrophobicContact CG1-CG2 3.83Å; V727-K808 PolarHBondContact N-O 3Å; V727-V809 CarbonylContact O-C 3.25Å; V727-V809 WeakPolarHBondContact O-CA 3.28Å; V727-L810 PolarHBondContact O-N 2.63Å
728V92.3Very high90.9Very high51 Ų5168 Ų6831%0.30935%0.351SS..EExtended strand (participates in β ladder)trans-74.6140.7174.5-175.20000108.7L810 I812V728-L810 HydrophobicContact CG2-CD1 4.21Å; V728-I812 HydrophobicContact CG1-CG2 3.38Å
729E93.3Very high91Very high0 Ų065.1 Ų65.10%034%0.336CS..THydrogen-bonded Turntrans-70.9170.1175.276-175.1123.100113.1E731 L777 R779 V809 L810 D811 I812E729-E731 PolarHBondContact O-N 2.86Å; E729-L777 WeakPolarHBondContact CA-O 3.19Å; E729-L777 VanDerWaalsContact CB-O 3.31Å; E729-L777 WeakPolarHBondContact CB-O 3.29Å; E729-R779 HydrophobicContact CB-CB 4.4Å; E729-R779 IonicContact OE1-NE 3.25Å; E729-R779 WeakPolarHBondContact OE2-CA 3.41Å; E729-R779 WeakPolarHBondContact OE2-CB 3.49Å; E729-R779 PolarHBondContact OE2-N 3.01Å; E729-V809 HydrophobicContact CB-CG1 3.63Å; E729-L810 PolarHBondContact N-O 3.15Å; E729-D811 WeakPolarHBondContact OE1-CA 3.12Å; E729-I812 HydrophobicContact CG-CB 4.32Å; E729-I812 HydrophobicContact CG-CD1 3.79Å; E729-I812 HydrophobicContact CG-CG1 3.54Å; E729-I812 HydrophobicContact CG-CG2 4.25Å; E729-I812 PolarHBondContact OE1-N 2.93Å
730E88Confident91.2Very high61 Ų6168.1 Ų68.129%0.28533%0.334SS..THydrogen-bonded Turntrans58.27.7179.5-65.3-58.5130.700116.6K776 L777 I812E730-K776 VanDerWaalsContact O-CD 3.28Å; E730-K776 WeakPolarHBondContact O-CD 3.47Å; E730-K776 WeakPolarHBondContact O-CE 3.1Å; E730-K776 WeakPolarHBondContact O-CG 3.49Å; E730-K776 WeakPolarHBondContact OE2-CD 3.43Å; E730-L777 PolarHBondContact N-O 2.86Å; E730-I812 HydrophobicContact CB-CD1 3.78Å; E730-I812 HydrophobicContact CG-CD1 4.09Å
731E88.4Confident91.4Very high105 Ų10558.4 Ų58.449%0.49130%0.298SS..  trans-104.4112.7173.4-66.2-169171.900112.2E729 A734 T773E729-E731 PolarHBondContact O-N 2.86Å; E731-A734 HydrophobicContact CB-CB 3.79Å; E731-T773 PolarHBondContact O-OG1 2.85Å
732A89Confident91.6Very high44 Ų4460.8 Ų60.836%0.36431%0.314SS..THydrogen-bonded Turntrans-80.4147.516700000109.9A734 K776A732-A734 PolarHBondContact O-N 2.93Å; A732-K776 HydrophobicContact CB-CG 3.91Å
733N90.8Very high91.8Very high85 Ų8557.8 Ų57.846%0.45529%0.293SS..THydrogen-bonded Turntrans60.821.6-176.4-58.9-52.7000114.4R764 Y772 T773N733-R764 PolarHBondContact OD1-NE 3.17Å; N733-R764 PolarHBondContact OD1-NH2 3Å; N733-Y772 WeakPolarHBondContact O-CD1 3.37Å; N733-T773 WeakPolarHBondContact CA-O 3.42Å; N733-T773 PolarHBondContact N-O 3.47Å; N733-T773 PolarHBondContact N-OG1 2.89Å; N733-T773 VanDerWaalsContact N-OG1 3.16Å
734A90.6Very high91.9Very high10 Ų1054.6 Ų54.68%0.08329%0.29CS..  trans-70.3136175.500000110.5V727 E731 A732 V736 Y772 T773V727-A734 HydrophobicContact CG2-CB 3.74Å; E731-A734 HydrophobicContact CB-CB 3.79Å; A732-A734 PolarHBondContact O-N 2.93Å; A734-V736 PolarHBondContact O-N 3.1Å; A734-Y772 CarbonylContact O-C 3.6Å; A734-Y772 WeakPolarHBondContact O-CA 3.28Å; A734-T773 HydrophobicContact CB-CG2 4.43Å; A734-T773 PolarHBondContact N-OG1 3.45Å; A734-T773 PolarHBondContact O-N 3.08Å
735F92.9Very high92Very high114 Ų11449.1 Ų49.150%0.526%0.261SS..EExtended strand (participates in β ladder)trans-74.5118.2176.8178.1-109.3000110.3G737 Q738 Y772F735-G737 WeakPolarHBondContact CE2-O 3.16Å; F735-G737 VanDerWaalsContact CZ-C 3.46Å; F735-Q738 HydrophobicContact CE2-CB 4.31Å; F735-Q738 HydrophobicContact CZ-CB 4.09Å; F735-Y772 HydrophobicContact CB-CD1 4.1Å; F735-Y772 HydrophobicContact CB-CE1 3.81Å; F735-Y772 HydrophobicContact CD2-CD1 4.31Å; F735-Y772 AromaticContact CD2-CE1 3.7Å; F735-Y772 HydrophobicContact CD2-CE1 3.7Å; F735-Y772 AromaticContact CD2-CZ 3.81Å; F735-Y772 HydrophobicContact CG-CE1 4.23Å
736V91.2Very high91.7Very high9 Ų949.8 Ų49.86%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-91.9-41.7-179.9-174.30000110.9L725 V727 A734 F763 I771 T773 I807L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 4.13Å; V727-V736 HydrophobicContact CB-CG2 4.17Å; V727-V736 HydrophobicContact CG2-CG2 4.05Å; A734-V736 PolarHBondContact O-N 3.1Å; V736-F763 HydrophobicContact CG2-CD1 4.16Å; V736-F763 HydrophobicContact CG2-CE1 4.09Å; V736-I771 HydrophobicContact CB-CB 4.42Å; V736-I771 HydrophobicContact CB-CG2 4.17Å; V736-I771 HydrophobicContact CG2-CG2 4.41Å; V736-I771 PolarHBondContact N-O 3.25Å; V736-T773 HydrophobicContact CG2-CG2 4.04Å; V736-I807 HydrophobicContact CG1-CD1 3.9Å; V736-I807 HydrophobicContact CG1-CG1 3.96Å; V736-I807 HydrophobicContact CG1-CG2 3.88Å
737G91.5Very high91.6Very high7 Ų749.9 Ų49.97%0.07228%0.281CS..EExtended strand (participates in β ladder)trans167179.9-178.200000112F735 I771F735-G737 WeakPolarHBondContact CE2-O 3.16Å; F735-G737 VanDerWaalsContact CZ-C 3.46Å; G737-I771 PolarHBondContact O-N 3.21Å
738Q92.4Very high91.4Very high101 Ų10154.3 Ų54.347%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-132.9135-179.7-174.3173.820.200110.1F735 N768 G769F735-Q738 HydrophobicContact CE2-CB 4.31Å; F735-Q738 HydrophobicContact CZ-CB 4.09Å; Q738-N768 PolarHBondContact NE2-O 3.25Å; Q738-G769 WeakPolarHBondContact CA-O 3.45Å
739V92.9Very high91.2Very high4 Ų453.4 Ų53.42%0.02430%0.297CS..  trans-104.6154171.2-63.60000110.3F717 L721 Y754 I765 G769 I771 V789 L803 L805F717-V739 HydrophobicContact CD1-CB 4.22Å; F717-V739 HydrophobicContact CE1-CB 3.99Å; F717-V739 HydrophobicContact CE1-CG2 3.99Å; L721-V739 HydrophobicContact CD1-CB 4.28Å; V739-Y754 HydrophobicContact CG2-CD1 3.95Å; V739-Y754 HydrophobicContact CG2-CE1 4.04Å; V739-I765 HydrophobicContact CG2-CD1 3.98Å; V739-G769 WeakPolarHBondContact CG2-O 3.48Å; V739-G769 PolarHBondContact N-O 2.88Å; V739-I771 HydrophobicContact CG1-CD1 4.22Å; V739-V789 HydrophobicContact CG2-CG1 3.92Å; V739-L803 HydrophobicContact CG1-CD2 3.93Å; V739-L805 HydrophobicContact CG1-CD1 3.9Å
740R93Very high91Very high161 Ų16154.2 Ų54.261%0.60831%0.305SS*.  trans-137.6126.4173.9-174.8179.4178-176.3-0.1109.5F717 D718F717-R740 WeakPolarHBondContact CA-O 3.3Å; D718-R740 PolarHBondContact N-O 3.13Å
741A93.1Very high91.2Very high7 Ų756 Ų566%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-121.1151.7167.800000109.9P715 V716 F717 V752 Y754 A791P715-A741 HydrophobicContact CB-CB 4.37Å; V716-A741 CarbonylContact O-C 3.5Å; V716-A741 WeakPolarHBondContact O-CA 3.49Å; F717-A741 HydrophobicContact CD1-CB 3.83Å; F717-A741 HydrophobicContact CE1-CB 4.09Å; F717-A741 HydrophobicContact CG-CB 4.14Å; A741-V752 HydrophobicContact CB-CG1 4.14Å; A741-Y754 HydrophobicContact CB-CE1 4.02Å; A741-Y754 PolarHBondContact N-OH 2.74Å; A741-Y754 PolarHBondContact O-OH 3.19Å; A741-A791 HydrophobicContact CB-CB 3.81Å
742T91.8Very high91.3Very high81 Ų8152.3 Ų52.350%0.49730%0.298SS..EExtended strand (participates in β ladder)trans-130138177.452.80000109.4V716V716-T742 PolarHBondContact N-O 3.46Å; V716-T742 PolarHBondContact O-N 2.92Å
743D94.2Very high91.5Very high18 Ų1854.4 Ų54.410%0.09630%0.3CS..  trans-119.3125.7172.3-163.8-49.3000107.8A714 P715 D745 V752A714-D743 WeakPolarHBondContact CA-OD2 3.32Å; P715-D743 HydrophobicContact CB-CB 4.41Å; P715-D743 WeakPolarHBondContact CD-OD2 3.36Å; P715-D743 HydrophobicContact CG-CB 4.26Å; P715-D743 WeakPolarHBondContact CG-OD2 3.43Å; D743-D745 VanDerWaalsContact C-N 3.28Å; D743-D745 WeakPolarHBondContact OD1-CB 3.45Å; D743-D745 PolarHBondContact OD1-N 2.8Å; D743-V752 HydrophobicContact CB-CG2 3.96Å
744P92Very high91.7Very high69 Ų6952.1 Ų52.145%0.44829%0.286SS..  trans-77.4-9-176.734.6-38.7000114.2R678 E679 N713R678-P744 PolarHBondContact NH2-O 2.82Å; R678-P744 VanDerWaalsContact NH2-O 3.11Å; E679-P744 HydrophobicContact CG-CB 3.79Å; E679-P744 HydrophobicContact CG-CG 4.12Å; N713-P744 HydrophobicContact CB-CG 3.66Å
745D94.5Very high91.9Very high11 Ų1154 Ų546%0.05930%0.298CS..SBendtrans-67.2167179.8-65.9-9.2000112R678 N711 D712 N713 D743 N749 G750R678-D745 VanDerWaalsContact NH2-C 3.27Å; N711-D745 WeakPolarHBondContact CA-OD2 3.45Å; N711-D745 PolarHBondContact OD1-OD2 3.49Å; D712-D745 PolarHBondContact N-OD2 3.32Å; N713-D745 WeakPolarHBondContact CB-OD1 3.26Å; N713-D745 PolarHBondContact N-OD2 2.86Å; N713-D745 PolarHBondContact ND2-OD1 2.89Å; D743-D745 VanDerWaalsContact C-N 3.28Å; D743-D745 WeakPolarHBondContact OD1-CB 3.45Å; D743-D745 PolarHBondContact OD1-N 2.8Å; D745-N749 HydrophobicContact CB-CB 3.7Å; D745-G750 VanDerWaalsContact O-CA 3.23Å; D745-G750 WeakPolarHBondContact O-CA 3.41Å
746A88.8Confident91.9Very high39 Ų3949.2 Ų49.232%0.32228%0.278SS..  trans-97.7149.7-175.300000112.9D709 I748 N749D709-A746 HydrophobicContact CB-CB 3.84Å; D709-A746 VanDerWaalsContact CG-N 3.27Å; D709-A746 PolarHBondContact OD1-N 3.36Å; D709-A746 PolarHBondContact OD2-N 3.15Å; A746-I748 PolarHBondContact O-N 2.83Å; A746-N749 PolarHBondContact O-N 2.75Å
747G89.1Confident91.9Very high65 Ų6551.2 Ų51.267%0.6730%0.3SS*.THydrogen-bonded Turntrans58.9-130.217500000112.1N749 G750 Q751G747-N749 VanDerWaalsContact C-N 3.26Å; G747-N749 PolarHBondContact O-N 3.14Å; G747-G750 PolarHBondContact O-N 3.12Å; G747-Q751 PolarHBondContact O-N 3.27Å
748I88.8Confident92Very high98 Ų9853.1 Ų53.150%0.50331%0.309SS..THydrogen-bonded Turntrans-69.6-24.4-175.8-138169.9000112.7A746 G750 Q751 G794A746-I748 PolarHBondContact O-N 2.83Å; I748-G750 VanDerWaalsContact C-N 3.33Å; I748-Q751 PolarHBondContact O-N 3.05Å; I748-G794 WeakPolarHBondContact CG1-O 3.29Å; I748-G794 CarbonylContact O-C 3.59Å; I748-G794 VanDerWaalsContact O-CA 3.23Å; I748-G794 WeakPolarHBondContact O-CA 3.35Å; I748-G794 PolarHBondContact O-N 3.19Å
749N89.6Confident92Very high32 Ų3250.5 Ų50.517%0.17130%0.296CS..SBendtrans-71.8-30.6176.5-61.2-18.9000111.1D709 N711 D745 A746 G747 D793 A795D709-N749 WeakPolarHBondContact OD2-CB 3.28Å; D709-N749 PolarHBondContact OD2-ND2 3.36Å; N711-N749 HydrophobicContact CB-CB 3.96Å; D745-N749 HydrophobicContact CB-CB 3.7Å; A746-N749 PolarHBondContact O-N 2.75Å; G747-N749 VanDerWaalsContact C-N 3.26Å; G747-N749 PolarHBondContact O-N 3.14Å; N749-D793 WeakPolarHBondContact O-CB 3.03Å; N749-A795 VanDerWaalsContact OD1-CB 3.28Å; N749-A795 WeakPolarHBondContact OD1-CB 3.42Å
750G88.7Confident91.8Very high17 Ų1755 Ų5518%0.17532%0.32CS..SBendtrans-89.2-6.2172.400000114.9D745 G747 I748 V752D745-G750 VanDerWaalsContact O-CA 3.23Å; D745-G750 WeakPolarHBondContact O-CA 3.41Å; G747-G750 PolarHBondContact O-N 3.12Å; I748-G750 VanDerWaalsContact C-N 3.33Å; G750-V752 PolarHBondContact O-N 3.07Å
751Q91.1Very high91.7Very high99 Ų9952.8 Ų52.846%0.46332%0.32SS..  trans-81.2105.5-172.9-172.6171.712.100110.9G747 I748 D793 G794G747-Q751 PolarHBondContact O-N 3.27Å; I748-Q751 PolarHBondContact O-N 3.05Å; Q751-D793 CarbonylContact O-C 3.55Å; Q751-D793 WeakPolarHBondContact O-CA 3.36Å; Q751-G794 PolarHBondContact O-N 2.68Å; Q751-G794 VanDerWaalsContact O-N 3.07Å
752V92.5Very high91.6Very high28 Ų2854.1 Ų54.117%0.1733%0.326CS..  trans-80.4126.9-177.7-1760000111.7P715 A741 D743 G750 Y754 A791P715-V752 HydrophobicContact CB-CG1 4.28Å; P715-V752 HydrophobicContact CB-CG2 4.05Å; P715-V752 HydrophobicContact CG-CG2 4.3Å; A741-V752 HydrophobicContact CB-CG1 4.14Å; D743-V752 HydrophobicContact CB-CG2 3.96Å; G750-V752 PolarHBondContact O-N 3.07Å; V752-Y754 HydrophobicContact CG1-CD1 4.44Å; V752-Y754 HydrophobicContact CG1-CE1 3.96Å; V752-Y754 HydrophobicContact CG1-CE2 4.3Å; V752-A791 HydrophobicContact CG1-CB 3.94Å
753H92.7Very high91.7Very high88 Ų8850.3 Ų50.341%0.40730%0.302SS..EExtended strand (participates in β ladder)trans-110.6132169.1-68.7-75.2000110.6A791 T792H753-A791 WeakPolarHBondContact O-CA 3.31Å; H753-T792 PolarHBondContact N-O 3.03Å; H753-T792 PolarHBondContact O-N 2.76Å; H753-T792 PolarHBondContact O-OG1 3.05Å
754Y94.8Very high91.7Very high37 Ų3755.4 Ų55.415%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-98.3138.1176.8-57.8-77.3000111F717 V739 A741 V752 I765 S767 V790 A791F717-Y754 HydrophobicContact CE1-CD1 4.31Å; F717-Y754 HydrophobicContact CE1-CE1 4.1Å; V739-Y754 HydrophobicContact CG2-CD1 3.95Å; V739-Y754 HydrophobicContact CG2-CE1 4.04Å; A741-Y754 HydrophobicContact CB-CE1 4.02Å; A741-Y754 PolarHBondContact N-OH 2.74Å; A741-Y754 PolarHBondContact O-OH 3.19Å; V752-Y754 HydrophobicContact CG1-CD1 4.44Å; V752-Y754 HydrophobicContact CG1-CE1 3.96Å; V752-Y754 HydrophobicContact CG1-CE2 4.3Å; Y754-I765 HydrophobicContact CG-CD1 4.32Å; Y754-S767 WeakPolarHBondContact CD2-O 3.22Å; Y754-V790 WeakPolarHBondContact CA-O 3.46Å; Y754-A791 HydrophobicContact CD1-CB 4.27Å; Y754-A791 HydrophobicContact CE1-CB 4.32Å
755S93.7Very high91.8Very high50 Ų5053.6 Ų53.635%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-143159.8172.157.90000111.1V790S755-V790 PolarHBondContact N-O 2.81Å; S755-V790 PolarHBondContact O-N 2.83Å
756L94.4Very high91.8Very high13 Ų1355.4 Ų55.47%0.06832%0.318CS..EExtended strand (participates in β ladder)trans-95.5129.7174.4-62.1179000109.2N760 F763 I765 L787 V789L756-N760 VanDerWaalsContact CB-OD1 3.26Å; L756-N760 WeakPolarHBondContact CB-OD1 3.04Å; L756-N760 PolarHBondContact O-ND2 2.87Å; L756-N760 VanDerWaalsContact O-ND2 3.1Å; L756-N760 PolarHBondContact O-OD1 2.82Å; L756-N760 VanDerWaalsContact O-OD1 3.06Å; L756-F763 VanDerWaalsContact CD1-C 3.49Å; L756-F763 HydrophobicContact CD1-CB 3.76Å; L756-F763 WeakPolarHBondContact CD1-O 3.43Å; L756-I765 HydrophobicContact CD1-CB 4.49Å; L756-I765 HydrophobicContact CD2-CB 4.03Å; L756-I765 HydrophobicContact CD2-CD1 4.34Å; L756-I765 HydrophobicContact CD2-CG2 4.15Å; L756-I765 HydrophobicContact CG-CB 4.05Å; L756-I765 HydrophobicContact CG-CG2 3.81Å; L756-L787 HydrophobicContact CD1-CD1 4.42Å; L756-L787 HydrophobicContact CD2-CD1 4.07Å; L756-L787 HydrophobicContact CD2-CD2 3.94Å; L756-L787 HydrophobicContact CD2-CG 4.1Å; L756-V789 HydrophobicContact CD2-CG2 4.06Å
757G89.7Confident91.7Very high51 Ų5159 Ų5953%0.52634%0.34SS..SBendtrans-82.8-20.1176.500000113.2V788G757-V788 PolarHBondContact N-O 3.05Å
758N93.7Very high91.7Very high47 Ų4760.2 Ų60.225%0.25133%0.332SS..SBendtrans-148.8163.5175.163.5-9.2000111.2N760 E786 L787 V788N758-N760 VanDerWaalsContact C-N 3.29Å; N758-N760 PolarHBondContact O-N 3.5Å; N758-N760 PolarHBondContact O-OD1 2.81Å; N758-E786 PolarHBondContact ND2-O 3.49Å; N758-L787 VanDerWaalsContact O-CD1 3.32Å; N758-L787 WeakPolarHBondContact O-CD1 3.44Å; N758-V788 PolarHBondContact OD1-N 2.9Å
759F92.7Very high91.8Very high45 Ų4555.5 Ų55.520%0.19731%0.308CS..  trans58.630.2177.3-52-66.1000115.6N761 L762 F763 Y785 E786 L787F759-N761 PolarHBondContact O-N 2.99Å; F759-L762 HydrophobicContact CB-CB 4.38Å; F759-L762 HydrophobicContact CD1-CD1 4.07Å; F759-L762 PolarHBondContact O-N 3.36Å; F759-F763 HydrophobicContact CB-CD2 3.77Å; F759-F763 HydrophobicContact CB-CE2 4.27Å; F759-F763 PolarHBondContact O-N 2.9Å; F759-Y785 HydrophobicContact CD1-CD1 4.21Å; F759-Y785 HydrophobicContact CD2-CD1 4.42Å; F759-Y785 HydrophobicContact CE1-CD1 4.1Å; F759-Y785 HydrophobicContact CE1-CE1 4.47Å; F759-Y785 HydrophobicContact CE2-CD1 4.3Å; F759-Y785 HydrophobicContact CG-CD1 4.38Å; F759-Y785 HydrophobicContact CZ-CD1 4.15Å; F759-E786 WeakPolarHBondContact CE2-O 3.14Å; F759-L787 HydrophobicContact CB-CD1 4.13Å; F759-L787 HydrophobicContact CD2-CD1 4.21Å
760N89.1Confident92Very high100 Ų10054.3 Ų54.354%0.53530%0.302SS..THydrogen-bonded Turntrans-61.6-15.7179.3-58.428.1000113.6L756 N758 F763L756-N760 VanDerWaalsContact CB-OD1 3.26Å; L756-N760 WeakPolarHBondContact CB-OD1 3.04Å; L756-N760 PolarHBondContact O-ND2 2.87Å; L756-N760 VanDerWaalsContact O-ND2 3.1Å; L756-N760 PolarHBondContact O-OD1 2.82Å; L756-N760 VanDerWaalsContact O-OD1 3.06Å; N758-N760 VanDerWaalsContact C-N 3.29Å; N758-N760 PolarHBondContact O-N 3.5Å; N758-N760 PolarHBondContact O-OD1 2.81Å; N760-F763 CarbonylContact C-O 3.54Å
761N90.1Very high92.3Very high113 Ų11353.5 Ų53.560%0.60429%0.293SS*.THydrogen-bonded Turntrans-85.7-18.1173.563.1-51.7000113.5F759F759-N761 PolarHBondContact O-N 2.99Å
762L91.6Very high92.4Very high35 Ų3551.8 Ų51.818%0.18328%0.283CS..THydrogen-bonded Turntrans-109.1-30.6-178.4-60.3179.5000112.4F759 A774 L777 Y785F759-L762 HydrophobicContact CB-CB 4.38Å; F759-L762 HydrophobicContact CD1-CD1 4.07Å; F759-L762 PolarHBondContact O-N 3.36Å; L762-A774 PolarHBondContact O-N 3.25Å; L762-L777 HydrophobicContact CB-CD2 4.16Å; L762-L777 HydrophobicContact CD2-CD2 4.43Å; L762-Y785 HydrophobicContact CD1-CD1 4.28Å; L762-Y785 HydrophobicContact CD1-CE1 3.47Å; L762-Y785 VanDerWaalsContact CD1-CE1 3.47Å
763F94.9Very high92.5Very high1 Ų150.4 Ų50.40%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-125152.8178.8-59.6-83.6000110.1V736 L756 F759 N760 I771 Y772 T773 L777 Y785 L787 I807V736-F763 HydrophobicContact CG2-CD1 4.16Å; V736-F763 HydrophobicContact CG2-CE1 4.09Å; L756-F763 VanDerWaalsContact CD1-C 3.49Å; L756-F763 HydrophobicContact CD1-CB 3.76Å; L756-F763 WeakPolarHBondContact CD1-O 3.43Å; F759-F763 HydrophobicContact CB-CD2 3.77Å; F759-F763 HydrophobicContact CB-CE2 4.27Å; F759-F763 PolarHBondContact O-N 2.9Å; N760-F763 CarbonylContact C-O 3.54Å; F763-I771 HydrophobicContact CB-CG2 4.48Å; F763-I771 HydrophobicContact CD1-CG2 4.42Å; F763-Y772 CarbonylContact C-O 3.49Å; F763-Y772 VanDerWaalsContact CA-O 3.3Å; F763-Y772 WeakPolarHBondContact CA-O 3.4Å; F763-T773 HydrophobicContact CD1-CG2 4.25Å; F763-T773 HydrophobicContact CE1-CG2 4.01Å; F763-L777 HydrophobicContact CE1-CD1 3.88Å; F763-L777 HydrophobicContact CZ-CD1 3.7Å; F763-Y785 HydrophobicContact CE2-CD1 4.01Å; F763-Y785 HydrophobicContact CE2-CD2 4.25Å; F763-Y785 AromaticContact CE2-CG 3.84Å; F763-Y785 HydrophobicContact CE2-CG 3.84Å; F763-Y785 AromaticContact CZ-CD2 3.97Å; F763-Y785 HydrophobicContact CZ-CD2 3.97Å; F763-Y785 AromaticContact CZ-CG 3.98Å; F763-Y785 HydrophobicContact CZ-CG 3.98Å; F763-L787 HydrophobicContact CB-CD1 4.28Å; F763-L787 HydrophobicContact CB-CD2 4.33Å; F763-L787 HydrophobicContact CD2-CD1 3.91Å; F763-L787 HydrophobicContact CG-CD1 4.27Å; F763-L787 HydrophobicContact CG-CD2 4.25Å; F763-I807 HydrophobicContact CD1-CD1 4.34Å; F763-I807 HydrophobicContact CE1-CD1 3.83Å; F763-I807 HydrophobicContact CE2-CD1 4.39Å; F763-I807 HydrophobicContact CZ-CD1 3.86Å
764R94Very high92.4Very high125 Ų12548 Ų4847%0.47227%0.271SS..EExtended strand (participates in β ladder)trans-129.8148.7170.664.7-179-175.91621.5110.2N733 I771 Y772N733-R764 PolarHBondContact OD1-NE 3.17Å; N733-R764 PolarHBondContact OD1-NH2 3Å; R764-I771 WeakPolarHBondContact O-CA 3.43Å; R764-Y772 PolarHBondContact N-O 2.65Å; R764-Y772 PolarHBondContact O-N 3.04Å
765I94.4Very high92.2Very high32 Ų3250 Ų5016%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-120.8135.9175.8-166.7161.8000109.3V739 Y754 L756 S770 I771 V789V739-I765 HydrophobicContact CG2-CD1 3.98Å; Y754-I765 HydrophobicContact CG-CD1 4.32Å; L756-I765 HydrophobicContact CD1-CB 4.49Å; L756-I765 HydrophobicContact CD2-CB 4.03Å; L756-I765 HydrophobicContact CD2-CD1 4.34Å; L756-I765 HydrophobicContact CD2-CG2 4.15Å; L756-I765 HydrophobicContact CG-CB 4.05Å; L756-I765 HydrophobicContact CG-CG2 3.81Å; I765-S770 WeakPolarHBondContact CA-O 3.49Å; I765-I771 HydrophobicContact CD1-CD1 4.42Å; I765-I771 HydrophobicContact CD1-CG1 3.87Å; I765-I771 HydrophobicContact CG1-CG1 4.05Å; I765-V789 HydrophobicContact CD1-CG1 3.51Å
766T92.6Very high92.1Very high48 Ų4853.3 Ų53.329%0.29429%0.294SS..  trans-90.5165.8179.152.70000110.8N768 G769 S770 Y772T766-N768 PolarHBondContact O-N 3.42Å; T766-N768 VanDerWaalsContact O-N 3.14Å; T766-N768 PolarHBondContact OG1-OD1 2.54Å; T766-G769 PolarHBondContact O-N 2.89Å; T766-S770 PolarHBondContact N-O 2.9Å; T766-S770 WeakPolarHBondContact OG1-CB 3.47Å; T766-S770 PolarHBondContact OG1-N 2.75Å; T766-S770 PolarHBondContact OG1-O 2.68Å; T766-Y772 HydrophobicContact CG2-CD2 4.1Å; T766-Y772 HydrophobicContact CG2-CE2 3.89Å
767S87.4Confident92Very high114 Ų11452.9 Ų52.980%0.79729%0.292SS*.THydrogen-bonded Turntrans-60.5-22.8-179.953.30000113.8Y754 G769Y754-S767 WeakPolarHBondContact CD2-O 3.22Å; S767-G769 VanDerWaalsContact C-N 3.34Å
768N89.3Confident92.1Very high91 Ų9152.9 Ų52.949%0.48728%0.28SS..THydrogen-bonded Turntrans-88.63.7176.274.36.3000114Q738 T766 S770Q738-N768 PolarHBondContact NE2-O 3.25Å; T766-N768 PolarHBondContact O-N 3.42Å; T766-N768 VanDerWaalsContact O-N 3.14Å; T766-N768 PolarHBondContact OG1-OD1 2.54Å; N768-S770 VanDerWaalsContact OD1-CB 3.28Å; N768-S770 WeakPolarHBondContact OD1-CB 3.26Å; N768-S770 PolarHBondContact OD1-N 3.23Å; N768-S770 PolarHBondContact OD1-OG 2.9Å
769G90.2Very high92.1Very high0 Ų052 Ų520%027%0.273CS..SBendtrans85.65.6179.500000115.6Q738 V739 T766 S767Q738-G769 WeakPolarHBondContact CA-O 3.45Å; V739-G769 WeakPolarHBondContact CG2-O 3.48Å; V739-G769 PolarHBondContact N-O 2.88Å; T766-G769 PolarHBondContact O-N 2.89Å; S767-G769 VanDerWaalsContact C-N 3.34Å
770S93.9Very high92Very high6 Ų652.5 Ų52.54%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-77.8132.8174.6-68.80000111.5I765 T766 N768I765-S770 WeakPolarHBondContact CA-O 3.49Å; T766-S770 PolarHBondContact N-O 2.9Å; T766-S770 WeakPolarHBondContact OG1-CB 3.47Å; T766-S770 PolarHBondContact OG1-N 2.75Å; T766-S770 PolarHBondContact OG1-O 2.68Å; N768-S770 VanDerWaalsContact OD1-CB 3.28Å; N768-S770 WeakPolarHBondContact OD1-CB 3.26Å; N768-S770 PolarHBondContact OD1-N 3.23Å; N768-S770 PolarHBondContact OD1-OG 2.9Å
771I94.8Very high92Very high0 Ų051.8 Ų51.80%028%0.284CS..EExtended strand (participates in β ladder)trans-106.1129.6-176-56.5169.3000109V736 G737 V739 F763 R764 I765 L787 V789 L805V736-I771 HydrophobicContact CB-CB 4.42Å; V736-I771 HydrophobicContact CB-CG2 4.17Å; V736-I771 HydrophobicContact CG2-CG2 4.41Å; V736-I771 PolarHBondContact N-O 3.25Å; G737-I771 PolarHBondContact O-N 3.21Å; V739-I771 HydrophobicContact CG1-CD1 4.22Å; F763-I771 HydrophobicContact CB-CG2 4.48Å; F763-I771 HydrophobicContact CD1-CG2 4.42Å; R764-I771 WeakPolarHBondContact O-CA 3.43Å; I765-I771 HydrophobicContact CD1-CD1 4.42Å; I765-I771 HydrophobicContact CD1-CG1 3.87Å; I765-I771 HydrophobicContact CG1-CG1 4.05Å; I771-L787 HydrophobicContact CD1-CD2 4.17Å; I771-L787 HydrophobicContact CG2-CD2 3.78Å; I771-V789 HydrophobicContact CD1-CG2 3.85Å; I771-L805 HydrophobicContact CD1-CD1 3.51Å
772Y94.8Very high92Very high63 Ų6351.4 Ų51.425%0.24727%0.274CS..EExtended strand (participates in β ladder)trans-128.1155.1178.7-60.6-91000110.9N733 A734 F735 F763 R764 T766N733-Y772 WeakPolarHBondContact O-CD1 3.37Å; A734-Y772 CarbonylContact O-C 3.6Å; A734-Y772 WeakPolarHBondContact O-CA 3.28Å; F735-Y772 HydrophobicContact CB-CD1 4.1Å; F735-Y772 HydrophobicContact CB-CE1 3.81Å; F735-Y772 HydrophobicContact CD2-CD1 4.31Å; F735-Y772 AromaticContact CD2-CE1 3.7Å; F735-Y772 HydrophobicContact CD2-CE1 3.7Å; F735-Y772 AromaticContact CD2-CZ 3.81Å; F735-Y772 HydrophobicContact CG-CE1 4.23Å; F763-Y772 CarbonylContact C-O 3.49Å; F763-Y772 VanDerWaalsContact CA-O 3.3Å; F763-Y772 WeakPolarHBondContact CA-O 3.4Å; R764-Y772 PolarHBondContact N-O 2.65Å; R764-Y772 PolarHBondContact O-N 3.04Å; T766-Y772 HydrophobicContact CG2-CD2 4.1Å; T766-Y772 HydrophobicContact CG2-CE2 3.89Å
773T94.2Very high92Very high0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-68.8134.2163.855.90000109.4V727 E731 N733 A734 V736 F763 L777V727-T773 HydrophobicContact CG2-CG2 3.9Å; E731-T773 PolarHBondContact O-OG1 2.85Å; N733-T773 WeakPolarHBondContact CA-O 3.42Å; N733-T773 PolarHBondContact N-O 3.47Å; N733-T773 PolarHBondContact N-OG1 2.89Å; N733-T773 VanDerWaalsContact N-OG1 3.16Å; A734-T773 HydrophobicContact CB-CG2 4.43Å; A734-T773 PolarHBondContact N-OG1 3.45Å; A734-T773 PolarHBondContact O-N 3.08Å; V736-T773 HydrophobicContact CG2-CG2 4.04Å; F763-T773 HydrophobicContact CD1-CG2 4.25Å; F763-T773 HydrophobicContact CE1-CG2 4.01Å; T773-L777 HydrophobicContact CG2-CD1 3.78Å; T773-L777 HydrophobicContact CG2-CG 4Å
774A90Very high91.9Very high38 Ų3856.6 Ų56.631%0.31430%0.3SS..SBendtrans-88-31.3173.400000111.3L762L762-A774 PolarHBondContact O-N 3.25Å
775V90.9Very high91.9Very high77 Ų7751.4 Ų51.447%0.46728%0.281SS..SBendtrans-130.2154.4179.2-174.80000108.1L777V775-L777 PolarHBondContact O-N 3.36Å
776K91.7Very high91.9Very high121 Ų12155.2 Ų55.253%0.52630%0.298SS..  trans-55.4120.3168.3-64.4-172.9176.6-170.60109.5E730 A732E730-K776 VanDerWaalsContact O-CD 3.28Å; E730-K776 WeakPolarHBondContact O-CD 3.47Å; E730-K776 WeakPolarHBondContact O-CE 3.1Å; E730-K776 WeakPolarHBondContact O-CG 3.49Å; E730-K776 WeakPolarHBondContact OE2-CD 3.43Å; A732-K776 HydrophobicContact CB-CG 3.91Å
777L92.6Very high92Very high4 Ų453 Ų532%0.02128%0.284CS..  trans-83.9141.3173.5-57.3-178.9000107.7V727 E729 E730 L762 F763 T773 V775 Y785 V809V727-L777 HydrophobicContact CG1-CD1 3.8Å; E729-L777 WeakPolarHBondContact CA-O 3.19Å; E729-L777 VanDerWaalsContact CB-O 3.31Å; E729-L777 WeakPolarHBondContact CB-O 3.29Å; E730-L777 PolarHBondContact N-O 2.86Å; L762-L777 HydrophobicContact CB-CD2 4.16Å; L762-L777 HydrophobicContact CD2-CD2 4.43Å; F763-L777 HydrophobicContact CE1-CD1 3.88Å; F763-L777 HydrophobicContact CZ-CD1 3.7Å; T773-L777 HydrophobicContact CG2-CD1 3.78Å; T773-L777 HydrophobicContact CG2-CG 4Å; V775-L777 PolarHBondContact O-N 3.36Å; L777-Y785 HydrophobicContact CD1-CD2 4.45Å; L777-Y785 HydrophobicContact CD1-CE2 4.07Å; L777-Y785 HydrophobicContact CD2-CE2 4.37Å; L777-V809 HydrophobicContact CD1-CG2 4.24Å
778N92.2Very high92.3Very high51 Ų5149.4 Ų49.427%0.27326%0.257SS..  trans-113.5124.7171171.5-74.9000108E780 A781 R782N778-E780 PolarHBondContact ND2-OE2 3Å; N778-E780 VanDerWaalsContact ND2-OE2 3.16Å; N778-E780 WeakPolarHBondContact OD1-CB 3.33Å; N778-E780 PolarHBondContact OD1-N 2.94Å; N778-E780 VanDerWaalsContact OD1-N 3.1Å; N778-E780 PolarHBondContact OD1-OE2 2.59Å; N778-A781 HydrophobicContact CB-CB 4.46Å; N778-A781 WeakPolarHBondContact OD1-CB 3.44Å; N778-A781 PolarHBondContact OD1-N 2.86Å; N778-R782 PolarHBondContact O-N 3.14Å
779R93.1Very high92.6Very high27 Ų2745 Ų4510%0.10223%0.234CC..THydrogen-bonded Turntrans-73.7-36.3-174.6-173.3-161.264.577.4-7.4111.4E729 A781 R782 D783 V809 D811 V846E729-R779 HydrophobicContact CB-CB 4.4Å; E729-R779 IonicContact OE1-NE 3.25Å; E729-R779 WeakPolarHBondContact OE2-CA 3.41Å; E729-R779 WeakPolarHBondContact OE2-CB 3.49Å; E729-R779 PolarHBondContact OE2-N 3.01Å; R779-A781 PolarHBondContact O-N 3.4Å; R779-R782 CarbonylContact O-C 3.56Å; R779-R782 PolarHBondContact O-N 3.11Å; R779-D783 HydrophobicContact CG-CB 3.87Å; R779-D783 PolarHBondContact O-N 2.86Å; R779-V809 HydrophobicContact CB-CB 4.26Å; R779-V809 HydrophobicContact CB-CG1 3.75Å; R779-V809 HydrophobicContact CG-CB 4.13Å; R779-V809 HydrophobicContact CG-CG1 4.11Å; R779-D811 IonicContact CZ-OD1 2.68Å; R779-D811 IonicContact NE-OD1 2.71Å; R779-D811 PolarHBondContact NE-OD1 3.4Å; R779-D811 IonicContact NH2-OD1 3.15Å; R779-D811 PolarHBondContact NH2-OD1 2.84Å; R779-V846 PolarHBondContact NH2-O 3.25Å
780E90.5Very high92.8Very high56 Ų5646.1 Ų46.126%0.26224%0.24SC..THydrogen-bonded Turntrans-61.5-33.4-179.6-66.956.7-107.300110.4N778 V846N778-E780 PolarHBondContact ND2-OE2 3Å; N778-E780 VanDerWaalsContact ND2-OE2 3.16Å; N778-E780 WeakPolarHBondContact OD1-CB 3.33Å; N778-E780 PolarHBondContact OD1-N 2.94Å; N778-E780 VanDerWaalsContact OD1-N 3.1Å; N778-E780 PolarHBondContact OD1-OE2 2.59Å; E780-V846 HydrophobicContact CG-CB 4.14Å; E780-V846 HydrophobicContact CG-CG2 3.72Å
781A88.2Confident92.8Very high86 Ų8645.8 Ų45.871%0.71124%0.238SC*.THydrogen-bonded Turntrans-74.3-45.8171.700000112.1N778 R779N778-A781 HydrophobicContact CB-CB 4.46Å; N778-A781 WeakPolarHBondContact OD1-CB 3.44Å; N778-A781 PolarHBondContact OD1-N 2.86Å; R779-A781 PolarHBondContact O-N 3.4Å
782R91.6Very high92.8Very high105 Ų10547.5 Ų47.540%0.39625%0.249SC..  trans-159117177.7-174.1169.1179.8164.17.9112.7N778 R779 H784 Y785N778-R782 PolarHBondContact O-N 3.14Å; R779-R782 CarbonylContact O-C 3.56Å; R779-R782 PolarHBondContact O-N 3.11Å; R782-H784 WeakPolarHBondContact CG-O 3.33Å; R782-H784 PolarHBondContact NE-O 2.85Å; R782-Y785 HydrophobicContact CG-CE1 4.23Å; R782-Y785 HydrophobicContact CG-CE2 4.34Å
783D90.6Very high92.7Very high81 Ų8144.7 Ų44.743%0.43324%0.238SC..SBendtrans-85.4-12-173.467.9-19.2000115.4R779 V809R779-D783 HydrophobicContact CG-CB 3.87Å; R779-D783 PolarHBondContact O-N 2.86Å; D783-V809 PolarHBondContact O-N 3.04Å
784H93.6Very high92.4Very high64 Ų6445.7 Ų45.730%0.29625%0.248SC..EExtended strand (participates in β ladder)trans-152152.8178.169-79.8000114.6R782 Y806 I807R782-H784 WeakPolarHBondContact CG-O 3.33Å; R782-H784 PolarHBondContact NE-O 2.85Å; H784-Y806 HydrophobicContact CB-CE2 4.02Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.65Å; H784-I807 CarbonylContact C-O 3.44Å; H784-I807 VanDerWaalsContact CA-O 3.25Å; H784-I807 WeakPolarHBondContact CA-O 3.13Å
785Y93.9Very high92.2Very high15 Ų1544.6 Ų44.66%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-132.1136.9178.9-63.4-90.5000111.5F759 L762 F763 L777 R782 I807 V809F759-Y785 HydrophobicContact CD1-CD1 4.21Å; F759-Y785 HydrophobicContact CD2-CD1 4.42Å; F759-Y785 HydrophobicContact CE1-CD1 4.1Å; F759-Y785 HydrophobicContact CE1-CE1 4.47Å; F759-Y785 HydrophobicContact CE2-CD1 4.3Å; F759-Y785 HydrophobicContact CG-CD1 4.38Å; F759-Y785 HydrophobicContact CZ-CD1 4.15Å; L762-Y785 HydrophobicContact CD1-CD1 4.28Å; L762-Y785 HydrophobicContact CD1-CE1 3.47Å; L762-Y785 VanDerWaalsContact CD1-CE1 3.47Å; F763-Y785 HydrophobicContact CE2-CD1 4.01Å; F763-Y785 HydrophobicContact CE2-CD2 4.25Å; F763-Y785 AromaticContact CE2-CG 3.84Å; F763-Y785 HydrophobicContact CE2-CG 3.84Å; F763-Y785 AromaticContact CZ-CD2 3.97Å; F763-Y785 HydrophobicContact CZ-CD2 3.97Å; F763-Y785 AromaticContact CZ-CG 3.98Å; F763-Y785 HydrophobicContact CZ-CG 3.98Å; L777-Y785 HydrophobicContact CD1-CD2 4.45Å; L777-Y785 HydrophobicContact CD1-CE2 4.07Å; L777-Y785 HydrophobicContact CD2-CE2 4.37Å; R782-Y785 HydrophobicContact CG-CE1 4.23Å; R782-Y785 HydrophobicContact CG-CE2 4.34Å; Y785-I807 PolarHBondContact N-O 3.17Å; Y785-I807 PolarHBondContact O-N 2.87Å; Y785-V809 HydrophobicContact CD2-CG2 3.94Å; Y785-V809 HydrophobicContact CE2-CG2 3.71Å
786E94.3Very high92Very high113 Ų11347.5 Ų47.553%0.52826%0.257SS..EExtended strand (participates in β ladder)trans-100.788.7169.1-68.7-174.1165.800109N758 F759 T804 L805 Y806N758-E786 PolarHBondContact ND2-O 3.49Å; F759-E786 WeakPolarHBondContact CE2-O 3.14Å; E786-T804 HydrophobicContact CB-CG2 4.32Å; E786-L805 CarbonylContact C-O 3.59Å; E786-L805 WeakPolarHBondContact CA-O 3.24Å; E786-Y806 HydrophobicContact CG-CD2 4.14Å
787L94.3Very high91.7Very high0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-83.3126.7-176.2-17368.6000110.7L756 N758 F759 F763 I771 V789 T804 L805 I807L756-L787 HydrophobicContact CD1-CD1 4.42Å; L756-L787 HydrophobicContact CD2-CD1 4.07Å; L756-L787 HydrophobicContact CD2-CD2 3.94Å; L756-L787 HydrophobicContact CD2-CG 4.1Å; N758-L787 VanDerWaalsContact O-CD1 3.32Å; N758-L787 WeakPolarHBondContact O-CD1 3.44Å; F759-L787 HydrophobicContact CB-CD1 4.13Å; F759-L787 HydrophobicContact CD2-CD1 4.21Å; F763-L787 HydrophobicContact CB-CD1 4.28Å; F763-L787 HydrophobicContact CB-CD2 4.33Å; F763-L787 HydrophobicContact CD2-CD1 3.91Å; F763-L787 HydrophobicContact CG-CD1 4.27Å; F763-L787 HydrophobicContact CG-CD2 4.25Å; I771-L787 HydrophobicContact CD1-CD2 4.17Å; I771-L787 HydrophobicContact CG2-CD2 3.78Å; L787-V789 HydrophobicContact CD2-CG2 4.47Å; L787-V789 HydrophobicContact CG-CG2 4.49Å; L787-T804 CarbonylContact O-C 3.52Å; L787-T804 WeakPolarHBondContact O-CA 3.2Å; L787-L805 PolarHBondContact N-O 2.71Å; L787-L805 PolarHBondContact O-N 3.49Å; L787-I807 HydrophobicContact CB-CD1 3.63Å; L787-I807 HydrophobicContact CB-CG1 4.49Å; L787-I807 HydrophobicContact CD2-CD1 3.69Å; L787-I807 HydrophobicContact CG-CD1 4.28Å
788V94.3Very high91.5Very high39 Ų3952.7 Ų52.724%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-101.5115.7177.3-178.10000108.6G757 N758 T804G757-V788 PolarHBondContact N-O 3.05Å; N758-V788 PolarHBondContact OD1-N 2.9Å; V788-T804 HydrophobicContact CG2-CG2 4.28Å
789V94.4Very high91.5Very high0 Ų055.7 Ų55.70%030%0.296CS..EExtended strand (participates in β ladder)trans-100.2134.3175.5-170.90000109.2F717 V739 L756 I765 I771 L787 T802 L803 L805F717-V789 HydrophobicContact CE1-CG1 4.35Å; F717-V789 HydrophobicContact CZ-CB 4.43Å; F717-V789 HydrophobicContact CZ-CG1 4.13Å; V739-V789 HydrophobicContact CG2-CG1 3.92Å; L756-V789 HydrophobicContact CD2-CG2 4.06Å; I765-V789 HydrophobicContact CD1-CG1 3.51Å; I771-V789 HydrophobicContact CD1-CG2 3.85Å; L787-V789 HydrophobicContact CD2-CG2 4.47Å; L787-V789 HydrophobicContact CG-CG2 4.49Å; V789-T802 CarbonylContact O-C 3.52Å; V789-T802 WeakPolarHBondContact O-CA 3.23Å; V789-L803 PolarHBondContact N-O 3.29Å; V789-L803 PolarHBondContact O-N 2.99Å; V789-L805 HydrophobicContact CG2-CD1 3.8Å; V789-L805 HydrophobicContact CG2-CG 4.44Å
790V94.5Very high91.5Very high22 Ų2260.2 Ų60.213%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-115.7126.4-179.1-172.70000108.4Y754 S755 T792 H800 S801 T802Y754-V790 WeakPolarHBondContact CA-O 3.46Å; S755-V790 PolarHBondContact N-O 2.81Å; S755-V790 PolarHBondContact O-N 2.83Å; V790-T792 HydrophobicContact CG1-CG2 4Å; V790-H800 HydrophobicContact CG1-CB 4.31Å; V790-S801 WeakPolarHBondContact CA-O 3.46Å; V790-T802 HydrophobicContact CG1-CG2 4.31Å; V790-T802 HydrophobicContact CG2-CG2 4.06Å
791A94.5Very high91.7Very high0 Ų059 Ų590%032%0.315CS..EExtended strand (participates in β ladder)trans-106.3124.5170.400000108.4P715 F717 A741 V752 H753 Y754 H800 S801P715-A791 HydrophobicContact CB-CB 3.98Å; F717-A791 HydrophobicContact CE1-CB 4.04Å; F717-A791 HydrophobicContact CE2-CB 3.69Å; F717-A791 HydrophobicContact CZ-CB 3.41Å; F717-A791 VanDerWaalsContact CZ-CB 3.41Å; A741-A791 HydrophobicContact CB-CB 3.81Å; V752-A791 HydrophobicContact CG1-CB 3.94Å; H753-A791 WeakPolarHBondContact O-CA 3.31Å; Y754-A791 HydrophobicContact CD1-CB 4.27Å; Y754-A791 HydrophobicContact CE1-CB 4.32Å; A791-H800 CarbonylContact O-C 3.49Å; A791-H800 WeakPolarHBondContact O-CA 3.38Å; A791-H800 WeakPolarHBondContact O-CB 3.5Å; A791-S801 PolarHBondContact N-O 3.17Å; A791-S801 PolarHBondContact O-N 2.89Å
792T93.9Very high91.9Very high36 Ų3659 Ų5922%0.22131%0.307CS..EExtended strand (participates in β ladder)trans-123142.8179.354.60000109.3H753 V790 R799 H800H753-T792 PolarHBondContact N-O 3.03Å; H753-T792 PolarHBondContact O-N 2.76Å; H753-T792 PolarHBondContact O-OG1 3.05Å; V790-T792 HydrophobicContact CG1-CG2 4Å; T792-R799 WeakPolarHBondContact CA-O 3.41Å; T792-H800 HydrophobicContact CG2-CB 3.49Å; T792-H800 VanDerWaalsContact CG2-CB 3.49Å
793D93.6Very high92Very high4 Ų454.4 Ų54.42%0.02129%0.29CS..  trans-72.7171.916667.756.7000111.5N711 P715 N749 Q751 A795 P798 R799N711-D793 VanDerWaalsContact ND2-CG 3.27Å; N711-D793 PolarHBondContact ND2-OD1 3.06Å; N711-D793 PolarHBondContact ND2-OD2 3Å; N711-D793 PolarHBondContact OD1-OD2 2.91Å; P715-D793 HydrophobicContact CG-CB 4.13Å; N749-D793 WeakPolarHBondContact O-CB 3.03Å; Q751-D793 CarbonylContact O-C 3.55Å; Q751-D793 WeakPolarHBondContact O-CA 3.36Å; D793-A795 WeakPolarHBondContact OD1-CB 3.45Å; D793-A795 PolarHBondContact OD1-N 3.47Å; D793-P798 WeakPolarHBondContact O-CB 3.45Å; D793-P798 WeakPolarHBondContact OD1-CA 3.42Å; D793-P798 WeakPolarHBondContact OD1-CB 3.27Å; D793-R799 PolarHBondContact N-O 2.94Å; D793-R799 WeakPolarHBondContact OD2-CA 3.35Å; D793-R799 VanDerWaalsContact OD2-CB 3.26Å; D793-R799 WeakPolarHBondContact OD2-CB 3.43Å; D793-R799 PolarHBondContact OD2-N 3.21Å
794G86.8Confident92.2Very high21 Ų2153.8 Ų53.822%0.21629%0.29CS..SBendtrans-9412.4-179.600000114.7I748 Q751I748-G794 WeakPolarHBondContact CG1-O 3.29Å; I748-G794 CarbonylContact O-C 3.59Å; I748-G794 VanDerWaalsContact O-CA 3.23Å; I748-G794 WeakPolarHBondContact O-CA 3.35Å; I748-G794 PolarHBondContact O-N 3.19Å; Q751-G794 PolarHBondContact O-N 2.68Å; Q751-G794 VanDerWaalsContact O-N 3.07Å
795A87.5Confident92.2Very high14 Ų1450.9 Ų50.912%0.11628%0.276CS..SBendtrans-71.7165.6-177.300000112.9N711 N749 D793 H797 P798N711-A795 HydrophobicContact CB-CB 4.24Å; N711-A795 WeakPolarHBondContact ND2-CB 3.42Å; N749-A795 VanDerWaalsContact OD1-CB 3.28Å; N749-A795 WeakPolarHBondContact OD1-CB 3.42Å; D793-A795 WeakPolarHBondContact OD1-CB 3.45Å; D793-A795 PolarHBondContact OD1-N 3.47Å; A795-H797 VanDerWaalsContact C-N 3.27Å; A795-H797 PolarHBondContact O-N 2.86Å; A795-P798 WeakPolarHBondContact O-CD 3.42Å
796V85Confident92.2Very high138 Ų13854.3 Ų54.384%0.83629%0.29SS*.SBendtrans-63.4-33.9175.5178.30000112.1P798V796-P798 WeakPolarHBondContact O-CD 3.4Å
797H85.5Confident92.2Very high165 Ų16549 Ų4976%0.76426%0.264SS*.SBendtrans-115.480.5170-61.6120.6000108.3A795A795-H797 VanDerWaalsContact C-N 3.27Å; A795-H797 PolarHBondContact O-N 2.86Å
798P89.2Confident92.2Very high70 Ų7054.4 Ų54.446%0.45529%0.288SS..  trans-71.2140.1-167.827.7-33.4000111.7D793 A795 V796D793-P798 WeakPolarHBondContact O-CB 3.45Å; D793-P798 WeakPolarHBondContact OD1-CA 3.42Å; D793-P798 WeakPolarHBondContact OD1-CB 3.27Å; A795-P798 WeakPolarHBondContact O-CD 3.42Å; V796-P798 WeakPolarHBondContact O-CD 3.4Å
799R92.6Very high92.1Very high114 Ų11452.6 Ų52.643%0.4328%0.277SS..  trans-99.1150.5171.9-59.3171.163.8119.6-6.3108.1N711 D712 N713 A714 T792 D793N711-R799 WeakPolarHBondContact OD1-CD 3.26Å; D712-R799 PolarHBondContact O-NH2 2.87Å; N713-R799 WeakPolarHBondContact O-CD 3.48Å; N713-R799 PolarHBondContact O-NE 3.25Å; A714-R799 HydrophobicContact CB-CB 3.79Å; T792-R799 WeakPolarHBondContact CA-O 3.41Å; D793-R799 PolarHBondContact N-O 2.94Å; D793-R799 WeakPolarHBondContact OD2-CA 3.35Å; D793-R799 VanDerWaalsContact OD2-CB 3.26Å; D793-R799 WeakPolarHBondContact OD2-CB 3.43Å; D793-R799 PolarHBondContact OD2-N 3.21Å
800H93.3Very high92.1Very high121 Ų12155.7 Ų55.756%0.5629%0.294SS*.EExtended strand (participates in β ladder)trans-146.6153.5-169.168.8103.9000112.9V790 A791 T792V790-H800 HydrophobicContact CG1-CB 4.31Å; A791-H800 CarbonylContact O-C 3.49Å; A791-H800 WeakPolarHBondContact O-CA 3.38Å; A791-H800 WeakPolarHBondContact O-CB 3.5Å; T792-H800 HydrophobicContact CG2-CB 3.49Å; T792-H800 VanDerWaalsContact CG2-CB 3.49Å
801S93.7Very high91.8Very high30 Ų3057 Ų5721%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-131.4159.4170.569.70000110.8P715 F717 V790 A791P715-S801 WeakPolarHBondContact O-CB 3.32Å; P715-S801 PolarHBondContact O-OG 3.06Å; F717-S801 WeakPolarHBondContact CD2-OG 3.15Å; F717-S801 WeakPolarHBondContact CE2-OG 3.08Å; V790-S801 WeakPolarHBondContact CA-O 3.46Å; A791-S801 PolarHBondContact N-O 3.17Å; A791-S801 PolarHBondContact O-N 2.89Å
802T93.9Very high91.6Very high87 Ų8759.8 Ų59.853%0.53431%0.314SS..EExtended strand (participates in β ladder)trans-128.9140.3-175.861.80000111.6V789 V790V789-T802 CarbonylContact O-C 3.52Å; V789-T802 WeakPolarHBondContact O-CA 3.23Å; V790-T802 HydrophobicContact CG1-CG2 4.31Å; V790-T802 HydrophobicContact CG2-CG2 4.06Å
803L93.5Very high91.3Very high8 Ų860.1 Ų60.14%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-127.6125.2176178.367000110.1F717 L721 R723 V739 V789 L805F717-L803 HydrophobicContact CB-CD2 4.46Å; F717-L803 HydrophobicContact CD1-CB 4.33Å; F717-L803 HydrophobicContact CD1-CD2 4.01Å; F717-L803 HydrophobicContact CD2-CB 3.76Å; F717-L803 HydrophobicContact CE1-CB 4.38Å; F717-L803 HydrophobicContact CE1-CD2 4.45Å; F717-L803 HydrophobicContact CE2-CB 3.8Å; F717-L803 HydrophobicContact CG-CB 4.03Å; F717-L803 HydrophobicContact CG-CD2 4.16Å; F717-L803 HydrophobicContact CZ-CB 4.12Å; L721-L803 HydrophobicContact CD1-CD2 4.2Å; R723-L803 VanDerWaalsContact NH1-CD1 3.34Å; V739-L803 HydrophobicContact CG1-CD2 3.93Å; V789-L803 PolarHBondContact N-O 3.29Å; V789-L803 PolarHBondContact O-N 2.99Å; L803-L805 HydrophobicContact CD2-CD2 3.89Å; L803-L805 HydrophobicContact CD2-CG 4.47Å; L803-L805 HydrophobicContact CG-CD2 4.11Å; L803-L805 HydrophobicContact CG-CG 4.47Å
804T93.3Very high91.1Very high69 Ų6961.8 Ų61.842%0.42332%0.323SS..EExtended strand (participates in β ladder)trans-94.1125.3172.8-47.50000110.4E786 L787 V788E786-T804 HydrophobicContact CB-CG2 4.32Å; L787-T804 CarbonylContact O-C 3.52Å; L787-T804 WeakPolarHBondContact O-CA 3.2Å; V788-T804 HydrophobicContact CG2-CG2 4.28Å
805L93.7Very high91.2Very high2 Ų263 Ų631%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-109.5136176.1-59.1174.1000109.4R723 L725 V739 I771 E786 L787 V789 L803R723-L805 CarbonylContact O-C 3.55Å; R723-L805 WeakPolarHBondContact O-CA 3.31Å; L725-L805 HydrophobicContact CD1-CD1 3.97Å; V739-L805 HydrophobicContact CG1-CD1 3.9Å; I771-L805 HydrophobicContact CD1-CD1 3.51Å; E786-L805 CarbonylContact C-O 3.59Å; E786-L805 WeakPolarHBondContact CA-O 3.24Å; L787-L805 PolarHBondContact N-O 2.71Å; L787-L805 PolarHBondContact O-N 3.49Å; V789-L805 HydrophobicContact CG2-CD1 3.8Å; V789-L805 HydrophobicContact CG2-CG 4.44Å; L803-L805 HydrophobicContact CD2-CD2 3.89Å; L803-L805 HydrophobicContact CD2-CG 4.47Å; L803-L805 HydrophobicContact CG-CD2 4.11Å; L803-L805 HydrophobicContact CG-CG 4.47Å
806Y95.4Very high91.4Very high88 Ų8864 Ų6435%0.34533%0.331SS..EExtended strand (participates in β ladder)trans-97.5114.7172.4-176.1-96.5000109R723 N724 L725 H784 E786 K808R723-Y806 PolarHBondContact O-N 2.87Å; N724-Y806 CarbonylContact C-O 3.24Å; N724-Y806 VanDerWaalsContact CA-O 3.32Å; N724-Y806 WeakPolarHBondContact CA-O 3.41Å; L725-Y806 PolarHBondContact N-O 2.65Å; H784-Y806 HydrophobicContact CB-CE2 4.02Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.65Å; E786-Y806 HydrophobicContact CG-CD2 4.14Å; Y806-K808 HydrophobicContact CE1-CB 4.45Å
807I94Very high91.8Very high0 Ų057.6 Ų57.60%029%0.292CS..EExtended strand (participates in β ladder)trans-107.2117.6-178.5-57165.4000108L725 V727 V736 F763 H784 Y785 L787L725-I807 HydrophobicContact CB-CG1 4.37Å; L725-I807 CarbonylContact O-C 3.57Å; L725-I807 WeakPolarHBondContact O-CA 3.38Å; V727-I807 HydrophobicContact CG1-CG2 3.83Å; V736-I807 HydrophobicContact CG1-CD1 3.9Å; V736-I807 HydrophobicContact CG1-CG1 3.96Å; V736-I807 HydrophobicContact CG1-CG2 3.88Å; F763-I807 HydrophobicContact CD1-CD1 4.34Å; F763-I807 HydrophobicContact CE1-CD1 3.83Å; F763-I807 HydrophobicContact CE2-CD1 4.39Å; F763-I807 HydrophobicContact CZ-CD1 3.86Å; H784-I807 CarbonylContact C-O 3.44Å; H784-I807 VanDerWaalsContact CA-O 3.25Å; H784-I807 WeakPolarHBondContact CA-O 3.13Å; Y785-I807 PolarHBondContact N-O 3.17Å; Y785-I807 PolarHBondContact O-N 2.87Å; L787-I807 HydrophobicContact CB-CD1 3.63Å; L787-I807 HydrophobicContact CB-CG1 4.49Å; L787-I807 HydrophobicContact CD2-CD1 3.69Å; L787-I807 HydrophobicContact CG-CD1 4.28Å
808K94.1Very high92.1Very high114 Ų11454.5 Ų54.550%0.49629%0.285SS..EExtended strand (participates in β ladder)trans-91.7128.1172.1-175.1179179.5-1740110L725 S726 V727 Y806L725-K808 PolarHBondContact O-N 3.06Å; S726-K808 CarbonylContact C-O 3.53Å; S726-K808 WeakPolarHBondContact CA-O 3.32Å; V727-K808 PolarHBondContact N-O 3Å; Y806-K808 HydrophobicContact CE1-CB 4.45Å
809V92.8Very high92.2Very high2 Ų252 Ų521%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-82.4128.7171.3-171.50000108.5V727 E729 L777 R779 D783 Y785V727-V809 CarbonylContact O-C 3.25Å; V727-V809 WeakPolarHBondContact O-CA 3.28Å; E729-V809 HydrophobicContact CB-CG1 3.63Å; L777-V809 HydrophobicContact CD1-CG2 4.24Å; R779-V809 HydrophobicContact CB-CB 4.26Å; R779-V809 HydrophobicContact CB-CG1 3.75Å; R779-V809 HydrophobicContact CG-CB 4.13Å; R779-V809 HydrophobicContact CG-CG1 4.11Å; D783-V809 PolarHBondContact O-N 3.04Å; Y785-V809 HydrophobicContact CD2-CG2 3.94Å; Y785-V809 HydrophobicContact CE2-CG2 3.71Å
810L92.4Very high92.1Very high65 Ų6550.2 Ų50.234%0.3427%0.269SS..EExtended strand (participates in β ladder)trans-91.5133.3178.8-58.6176.9000109.4V727 V728 E729V727-L810 PolarHBondContact O-N 2.63Å; V728-L810 HydrophobicContact CG2-CD1 4.21Å; E729-L810 PolarHBondContact N-O 3.15Å
811D89.6Confident92Very high49 Ų4948.6 Ų48.626%0.26226%0.264SS..PPolyproline II helixtrans-67.5134.7178.9-175.488.5000111.3E729 R779 L848E729-D811 WeakPolarHBondContact OE1-CA 3.12Å; R779-D811 IonicContact CZ-OD1 2.68Å; R779-D811 IonicContact NE-OD1 2.71Å; R779-D811 PolarHBondContact NE-OD1 3.4Å; R779-D811 IonicContact NH2-OD1 3.15Å; R779-D811 PolarHBondContact NH2-OD1 2.84Å; D811-L848 HydrophobicContact CB-CB 4.14Å; D811-L848 HydrophobicContact CB-CD1 4.02Å; D811-L848 HydrophobicContact CB-CG 4.31Å; D811-L848 PolarHBondContact OD1-N 2.89Å; D811-L848 WeakPolarHBondContact OD2-CB 3.42Å; D811-L848 PolarHBondContact OD2-N 2.78Å; D811-L848 VanDerWaalsContact OD2-N 3.15Å
812I89.1Confident91.7Very high58 Ų5851.5 Ų51.530%0.29728%0.284SS..  trans-119.9159.4162.172.7-176.1000108.8V728 E729 E730 D814V728-I812 HydrophobicContact CG1-CG2 3.38Å; E729-I812 HydrophobicContact CG-CB 4.32Å; E729-I812 HydrophobicContact CG-CD1 3.79Å; E729-I812 HydrophobicContact CG-CG1 3.54Å; E729-I812 HydrophobicContact CG-CG2 4.25Å; E729-I812 PolarHBondContact OE1-N 2.93Å; E730-I812 HydrophobicContact CB-CD1 3.78Å; E730-I812 HydrophobicContact CG-CD1 4.09Å; I812-D814 HydrophobicContact CD1-CB 4.26Å; I812-D814 HydrophobicContact CG1-CB 3.99Å; I812-D814 PolarHBondContact O-N 2.65Å; I812-D814 VanDerWaalsContact O-N 3.1Å
813D88.5Confident91.7Very high43 Ų4351 Ų5123%0.2328%0.281CS..SBendtrans-81.186175.7171.379.6000109.2D847 G903 T904 M905D813-D847 WeakPolarHBondContact CA-OD2 3.41Å; D813-G903 VanDerWaalsContact OD1-CA 3.31Å; D813-G903 WeakPolarHBondContact OD1-CA 3.37Å; D813-T904 VanDerWaalsContact OD2-CA 3.28Å; D813-T904 WeakPolarHBondContact OD2-CA 3.47Å; D813-T904 WeakPolarHBondContact OD2-CB 3.3Å; D813-T904 PolarHBondContact OD2-N 3.41Å; D813-T904 PolarHBondContact OD2-OG1 3.22Å; D813-M905 VanDerWaalsContact O-CG 3.23Å; D813-M905 WeakPolarHBondContact O-CG 3.44Å; D813-M905 PolarHBondContact OD2-N 3.09Å
814D88.6Confident91.6Very high39 Ų3951.3 Ų51.321%0.20928%0.282CS..  trans-117-2.8179.476.6-31.7000113.9I812 D847 M905I812-D814 HydrophobicContact CD1-CB 4.26Å; I812-D814 HydrophobicContact CG1-CB 3.99Å; I812-D814 PolarHBondContact O-N 2.65Å; I812-D814 VanDerWaalsContact O-N 3.1Å; D814-D847 PolarHBondContact N-OD2 3.34Å; D814-D847 VanDerWaalsContact N-OD2 3.15Å; D814-M905 WeakPolarHBondContact O-CE 3.38Å
815N89.3Confident91.5Very high47 Ų4753 Ų5325%0.25129%0.292SS..  trans-108.6141.9175.2-65.4-82.8000111.9V846 D847 M905N815-V846 HydrophobicContact CB-CG2 3.6Å; N815-V846 WeakPolarHBondContact ND2-CG2 3.47Å; N815-D847 WeakPolarHBondContact CB-OD1 3.31Å; N815-D847 PolarHBondContact N-OD2 3.13Å; N815-D847 PolarHBondContact ND2-OD1 3.43Å; N815-M905 WeakPolarHBondContact O-CB 3.5Å
816S91.7Very high91.4Very high35 Ų3554 Ų5425%0.24530%0.298CS..  trans-93.4145.6171.5-740000110V818 P906S816-V818 VanDerWaalsContact O-CG2 3.31Å; S816-V818 WeakPolarHBondContact O-CG2 3.41Å; S816-V818 PolarHBondContact O-N 2.83Å; S816-P906 WeakPolarHBondContact CB-O 3.31Å; S816-P906 PolarHBondContact OG-O 2.86Å
817P93.3Very high91.1Very high3 Ų354.1 Ų54.12%0.01931%0.308CS..  trans-56.7125.2173.6-23.830.9000111.9A843 D845 V852 A898 D900 G908P817-A843 HydrophobicContact CB-CB 4.41Å; P817-D845 HydrophobicContact CB-CB 4.29Å; P817-D845 VanDerWaalsContact CD-OD2 3.29Å; P817-D845 WeakPolarHBondContact CD-OD2 3.46Å; P817-D845 HydrophobicContact CG-CB 4.16Å; P817-D845 WeakPolarHBondContact CG-OD2 3.32Å; P817-V852 HydrophobicContact CB-CG1 4.07Å; P817-V852 HydrophobicContact CB-CG2 4.06Å; P817-V852 HydrophobicContact CG-CG2 4.24Å; P817-A898 HydrophobicContact CB-CB 4.07Å; P817-D900 HydrophobicContact CG-CB 4.44Å; P817-G908 WeakPolarHBondContact O-CA 3.43Å
818V91.1Very high90.9Very high101 Ų10154.2 Ų54.261%0.61231%0.308SS*.EExtended strand (participates in β ladder)trans-107.1124.4-178.3-174.70000110.5S816 A843 K844S816-V818 VanDerWaalsContact O-CG2 3.31Å; S816-V818 WeakPolarHBondContact O-CG2 3.41Å; S816-V818 PolarHBondContact O-N 2.83Å; V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 2.96Å; V818-A843 WeakPolarHBondContact O-CB 3.39Å; V818-K844 PolarHBondContact N-O 3.45Å; V818-K844 PolarHBondContact O-N 2.82Å
819F93.2Very high90.6Very high17 Ų1752.8 Ų52.88%0.07530%0.304CS..EExtended strand (participates in β ladder)trans-66146.3172.9-76.4-76.8000111.9N821 Y824 I841 E842 A843 Y854 V896 A898 G908 A910F819-N821 WeakPolarHBondContact CB-O 3.3Å; F819-N821 PolarHBondContact O-N 3.16Å; F819-Y824 HydrophobicContact CB-CE2 4.36Å; F819-Y824 HydrophobicContact CD1-CE2 4.19Å; F819-Y824 HydrophobicContact CG-CE2 4.47Å; F819-I841 HydrophobicContact CD1-CB 4.35Å; F819-I841 HydrophobicContact CE1-CB 4.12Å; F819-I841 HydrophobicContact CE1-CD1 3.65Å; F819-I841 HydrophobicContact CE1-CG1 4.04Å; F819-I841 HydrophobicContact CZ-CD1 4.17Å; F819-E842 CarbonylContact C-O 3.52Å; F819-E842 WeakPolarHBondContact CA-O 3.28Å; F819-A843 HydrophobicContact CD1-CB 3.76Å; F819-A843 HydrophobicContact CE1-CB 4.01Å; F819-A843 HydrophobicContact CG-CB 4.04Å; F819-Y854 AromaticContact CE1-CD1 3.87Å; F819-Y854 HydrophobicContact CE1-CD1 3.87Å; F819-Y854 AromaticContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CZ-CD1 4.25Å; F819-V896 HydrophobicContact CE1-CG2 4.38Å; F819-V896 HydrophobicContact CE2-CG2 4.47Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; F819-A898 HydrophobicContact CD2-CB 4.38Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.66Å; F819-A898 HydrophobicContact CZ-CB 3.38Å; F819-G908 WeakPolarHBondContact CE2-O 3.3Å; F819-A910 HydrophobicContact CB-CB 4.13Å; F819-A910 HydrophobicContact CD1-CB 4.31Å; F819-A910 HydrophobicContact CD2-CB 3.54Å; F819-A910 HydrophobicContact CE2-CB 3.93Å; F819-A910 HydrophobicContact CG-CB 3.74Å; F819-A910 HydrophobicContact CZ-CB 4.48Å
820T89.7Confident90.3Very high76 Ų7653 Ų5347%0.46631%0.305SS..SBendtrans-57.7-34.317547.10000112.5Y824 E842T820-Y824 PolarHBondContact N-OH 2.97Å; T820-Y824 PolarHBondContact OG1-OH 2.72Å; T820-E842 HydrophobicContact CG2-CB 4.05Å; T820-E842 HydrophobicContact CG2-CG 4.28Å; T820-E842 PolarHBondContact N-O 3.08Å; T820-E842 PolarHBondContact OG1-O 2.69Å
821N91.5Very high89.9Confident88 Ų8853.8 Ų53.847%0.47131%0.309SS..  trans-131.1140173.9-65.341.6000110F819 T823 Y824F819-N821 WeakPolarHBondContact CB-O 3.3Å; F819-N821 PolarHBondContact O-N 3.16Å; N821-T823 VanDerWaalsContact C-N 3.29Å; N821-T823 PolarHBondContact O-N 3.12Å; N821-Y824 HydrophobicContact CB-CD1 4.24Å; N821-Y824 HydrophobicContact CB-CE1 3.81Å; N821-Y824 HydrophobicContact CB-CE2 4.22Å; N821-Y824 PolarHBondContact N-OH 3.17Å; N821-Y824 WeakPolarHBondContact O-CE2 3.38Å
822S87.8Confident89.8Confident90 Ų9053.5 Ų53.563%0.62931%0.307SS*.SBendtrans-68.8-29.7173.5530000112.7A910 T911S822-A910 VanDerWaalsContact O-CA 3.31Å; S822-A910 WeakPolarHBondContact O-CA 2.97Å; S822-A910 WeakPolarHBondContact O-CB 3.4Å; S822-T911 PolarHBondContact O-N 3.06Å
823T92.3Very high89.7Confident76 Ų7654.7 Ų54.747%0.46632%0.319SS..EExtended strand (participates in β ladder)trans-132.7128.3179.669.10000110.6N821 T911N821-T823 VanDerWaalsContact C-N 3.29Å; N821-T823 PolarHBondContact O-N 3.12Å; T823-T911 CarbonylContact C-O 3.6Å; T823-T911 WeakPolarHBondContact CA-O 3.24Å; T823-T911 WeakPolarHBondContact CB-OG1 3.43Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.32Å
824Y92.7Very high89.7Confident16 Ų1655.6 Ų55.66%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-110.4119.8172.9-63-89.1000109.7F819 T820 N821 L839 I841 E842 A910 T911 V912 T913F819-Y824 HydrophobicContact CB-CE2 4.36Å; F819-Y824 HydrophobicContact CD1-CE2 4.19Å; F819-Y824 HydrophobicContact CG-CE2 4.47Å; T820-Y824 PolarHBondContact N-OH 2.97Å; T820-Y824 PolarHBondContact OG1-OH 2.72Å; N821-Y824 HydrophobicContact CB-CD1 4.24Å; N821-Y824 HydrophobicContact CB-CE1 3.81Å; N821-Y824 HydrophobicContact CB-CE2 4.22Å; N821-Y824 PolarHBondContact N-OH 3.17Å; N821-Y824 WeakPolarHBondContact O-CE2 3.38Å; Y824-L839 HydrophobicContact CD1-CD1 4.19Å; Y824-L839 HydrophobicContact CG-CD2 4.28Å; Y824-I841 HydrophobicContact CD1-CG2 4.34Å; Y824-I841 HydrophobicContact CD2-CG2 3.91Å; Y824-I841 HydrophobicContact CE1-CG2 4.31Å; Y824-I841 HydrophobicContact CE2-CB 4.26Å; Y824-I841 HydrophobicContact CE2-CG2 3.88Å; Y824-I841 HydrophobicContact CG-CG2 4.15Å; Y824-E842 PolarHBondContact OH-O 2.97Å; Y824-A910 HydrophobicContact CD2-CB 4.05Å; Y824-A910 HydrophobicContact CE2-CB 3.86Å; Y824-T911 PolarHBondContact N-O 3.13Å; Y824-V912 CarbonylContact O-C 3.58Å; Y824-V912 WeakPolarHBondContact O-CA 3.36Å; Y824-T913 PolarHBondContact O-N 3.32Å
825T91.6Very high89.6Confident103 Ų10356.6 Ų56.663%0.63235%0.352SS*.EExtended strand (participates in β ladder)trans-111.2123.517556.50000109.3T913T825-T913 WeakPolarHBondContact CA-O 3.24Å
826V90.8Very high89.6Confident24 Ų2456.8 Ų56.815%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-133138.9179.664.20000110.3V828 F838 L839 T913 V914 I915V826-V828 HydrophobicContact CG1-CG2 4.28Å; V826-V828 HydrophobicContact CG2-CG2 4.34Å; V826-F838 HydrophobicContact CB-CD2 4.5Å; V826-F838 HydrophobicContact CG1-CD2 3.65Å; V826-F838 HydrophobicContact CG1-CE2 3.65Å; V826-F838 HydrophobicContact CG2-CD2 4.1Å; V826-L839 HydrophobicContact CG1-CB 4.49Å; V826-L839 HydrophobicContact CG1-CD2 4.46Å; V826-T913 PolarHBondContact N-O 3.47Å; V826-V914 HydrophobicContact CG1-CG2 4.07Å; V826-I915 PolarHBondContact O-N 3.04Å
827V89.8Confident89.5Confident90 Ų9058 Ų5855%0.54536%0.363SS..EExtended strand (participates in β ladder)trans-98.3124.4175.6-176.70000108.1I915 K917V827-I915 CarbonylContact C-O 3.5Å; V827-I915 WeakPolarHBondContact CA-O 3.06Å; V827-I915 HydrophobicContact CG2-CB 4.33Å; V827-K917 HydrophobicContact CG1-CB 3.68Å; V827-K917 HydrophobicContact CG1-CD 4.22Å; V827-K917 HydrophobicContact CG1-CG 4.47Å
828V89.5Confident89.4Confident2 Ų259.8 Ų59.81%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-121.4121.6-176.5174.20000106.8V826 L832 F838 L876 L880 V914 I915 V916 K917V826-V828 HydrophobicContact CG1-CG2 4.28Å; V826-V828 HydrophobicContact CG2-CG2 4.34Å; V828-L832 HydrophobicContact CB-CD1 4.34Å; V828-L832 HydrophobicContact CG1-CD1 3.45Å; V828-L832 VanDerWaalsContact CG1-CD1 3.45Å; V828-F838 HydrophobicContact CG2-CB 4.19Å; V828-F838 HydrophobicContact CG2-CD2 3.62Å; V828-F838 HydrophobicContact CG2-CE2 4.1Å; V828-F838 HydrophobicContact CG2-CG 3.89Å; V828-L876 HydrophobicContact CG1-CD1 4.06Å; V828-L880 HydrophobicContact CG1-CD1 4.43Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.7Å; V828-I915 PolarHBondContact N-O 2.91Å; V828-V916 CarbonylContact O-C 3.59Å; V828-V916 VanDerWaalsContact O-CA 3.29Å; V828-V916 WeakPolarHBondContact O-CA 3.41Å; V828-K917 PolarHBondContact O-N 3Å
829E87.3Confident89.4Confident85 Ų8556.4 Ų56.440%0.39735%0.349SS..EExtended strand (participates in β ladder)trans-64.3140173.4-69.5177.3166.200109.7L832 K917 M919E829-L832 HydrophobicContact CB-CD1 4.14Å; E829-L832 HydrophobicContact CB-CG 4.21Å; E829-L832 WeakPolarHBondContact O-CB 3.07Å; E829-L832 VanDerWaalsContact O-CD1 3.26Å; E829-L832 WeakPolarHBondContact O-CD1 3.44Å; E829-L832 VanDerWaalsContact O-CG 3.24Å; E829-L832 WeakPolarHBondContact O-CG 3.21Å; E829-K917 HydrophobicContact CG-CB 4.44Å; E829-K917 HydrophobicContact CG-CD 4.05Å; E829-K917 IonicContact OE1-NZ 3.55Å; E829-K917 PolarHBondContact OE1-NZ 2.82Å; E829-M919 HydrophobicContact CB-CG 4.17Å; E829-M919 HydrophobicContact CB-SD 4.15Å; E829-M919 HydrophobicContact CG-CE 4.29Å; E829-M919 HydrophobicContact CG-SD 4Å
830E86.2Confident89.4Confident6 Ų661.4 Ų61.43%0.02837%0.372CS..THydrogen-bonded Turntrans-62.9167.4171.873.9179.5130.900111.8L832 Y882 V916 K917 D918 M919E830-L832 PolarHBondContact O-N 2.98Å; E830-Y882 VanDerWaalsContact OE2-CB 3.26Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.47Å; E830-Y882 PolarHBondContact OE2-N 3.27Å; E830-V916 HydrophobicContact CB-CG1 3.87Å; E830-K917 PolarHBondContact N-O 3.4Å; E830-K917 VanDerWaalsContact N-O 3.08Å; E830-D918 WeakPolarHBondContact OE1-CA 3.21Å; E830-M919 HydrophobicContact CG-CB 3.7Å; E830-M919 HydrophobicContact CG-CG 3.78Å; E830-M919 WeakPolarHBondContact OE1-CA 3.28Å; E830-M919 PolarHBondContact OE1-N 3.42Å; E830-M919 VanDerWaalsContact OE1-O 3.12Å
831N83.3Confident89.5Confident81 Ų8157.8 Ų57.843%0.43335%0.351SS..THydrogen-bonded Turntrans59.37-176.7-68-55.1000114.7L880 D921N831-L880 PolarHBondContact N-O 3.1Å; N831-D921 PolarHBondContact ND2-OD2 3.37Å
832L87.6Confident89.5Confident43 Ų4358 Ų5823%0.22535%0.348CS..PPolyproline II helixtrans-56.2130173.8-93172.1000110.5V828 E829 E830 A834 L876 S879V828-L832 HydrophobicContact CB-CD1 4.34Å; V828-L832 HydrophobicContact CG1-CD1 3.45Å; V828-L832 VanDerWaalsContact CG1-CD1 3.45Å; E829-L832 HydrophobicContact CB-CD1 4.14Å; E829-L832 HydrophobicContact CB-CG 4.21Å; E829-L832 WeakPolarHBondContact O-CB 3.07Å; E829-L832 VanDerWaalsContact O-CD1 3.26Å; E829-L832 WeakPolarHBondContact O-CD1 3.44Å; E829-L832 VanDerWaalsContact O-CG 3.24Å; E829-L832 WeakPolarHBondContact O-CG 3.21Å; E830-L832 PolarHBondContact O-N 2.98Å; L832-A834 PolarHBondContact O-N 3.38Å; L832-L876 HydrophobicContact CB-CD1 3.73Å; L832-S879 WeakPolarHBondContact O-CB 3.24Å
833P88.8Confident89.7Confident84 Ų8454 Ų5455%0.54532%0.321SS..PPolyproline II helixtrans-58.7137.1-174.9-25.933.4000113G835 T836P833-G835 PolarHBondContact O-N 2.82Å; P833-T836 WeakPolarHBondContact O-CB 3.5Å; P833-T836 PolarHBondContact O-N 2.97Å; P833-T836 PolarHBondContact O-OG1 3.29Å
834A87.8Confident89.6Confident62 Ų6256.6 Ų56.651%0.51233%0.326SS..THydrogen-bonded Turntrans-56.5136.2169.500000110.8L832 L877L832-A834 PolarHBondContact O-N 3.38Å; A834-L877 WeakPolarHBondContact CB-O 2.88Å
835G86.6Confident89.6Confident59 Ų5957 Ų5761%0.60833%0.329SS*.THydrogen-bonded Turntrans99-5.8-17400000114.3P833 S837 L876P833-G835 PolarHBondContact O-N 2.82Å; G835-S837 PolarHBondContact O-N 3.33Å; G835-L876 WeakPolarHBondContact CA-O 3.34Å; G835-L876 PolarHBondContact N-O 2.95Å
836T89.4Confident89.5Confident51 Ų5156.2 Ų56.231%0.31332%0.324SS..  trans-76.5124.3179.8-52.20000110.7P833 S875 L876P833-T836 WeakPolarHBondContact O-CB 3.5Å; P833-T836 PolarHBondContact O-N 2.97Å; P833-T836 PolarHBondContact O-OG1 3.29Å; T836-S875 CarbonylContact O-C 3.55Å; T836-S875 WeakPolarHBondContact O-CA 3.16Å; T836-L876 PolarHBondContact O-N 3.36Å
837S90.4Very high89.6Confident61 Ų6155.6 Ų55.643%0.42732%0.32SS..EExtended strand (participates in β ladder)trans-80126.2168.7-58.10000109.5G835 E873 L874G835-S837 PolarHBondContact O-N 3.33Å; S837-E873 PolarHBondContact OG-OE2 3.38Å; S837-L874 WeakPolarHBondContact CA-O 3.07Å
838F89.3Confident89.4Confident40 Ų4057 Ų5718%0.17532%0.324CS..EExtended strand (participates in β ladder)trans-122.8-15.6-174.460.9-92000113.9V826 V828 F865 L874 L876 V914V826-F838 HydrophobicContact CB-CD2 4.5Å; V826-F838 HydrophobicContact CG1-CD2 3.65Å; V826-F838 HydrophobicContact CG1-CE2 3.65Å; V826-F838 HydrophobicContact CG2-CD2 4.1Å; V828-F838 HydrophobicContact CG2-CB 4.19Å; V828-F838 HydrophobicContact CG2-CD2 3.62Å; V828-F838 HydrophobicContact CG2-CE2 4.1Å; V828-F838 HydrophobicContact CG2-CG 3.89Å; F838-F865 AromaticContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CE1 4.11Å; F838-F865 AromaticContact CZ-CD1 3.62Å; F838-F865 HydrophobicContact CZ-CD1 3.62Å; F838-F865 AromaticContact CZ-CE1 3.74Å; F838-F865 HydrophobicContact CZ-CE1 3.74Å; F838-L874 HydrophobicContact CE1-CD2 4.35Å; F838-L874 HydrophobicContact CE1-CG 4.22Å; F838-L874 HydrophobicContact CE2-CD2 3.51Å; F838-L874 HydrophobicContact CE2-CG 4.2Å; F838-L874 HydrophobicContact CZ-CB 4.42Å; F838-L874 HydrophobicContact CZ-CD2 3.38Å; F838-L874 HydrophobicContact CZ-CG 3.7Å; F838-L874 PolarHBondContact N-O 2.89Å; F838-L876 HydrophobicContact CD1-CD2 4.42Å; F838-L876 HydrophobicContact CD1-CG 3.88Å; F838-L876 HydrophobicContact CE1-CD2 3.93Å; F838-L876 HydrophobicContact CE1-CG 3.79Å; F838-V914 HydrophobicContact CE2-CG2 3.87Å; F838-V914 HydrophobicContact CZ-CG2 4.15Å
839L92.2Very high89.2Confident30 Ų3060.2 Ų60.216%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-144144.3177.5176.867.3000109.4Y824 V826 I841 L874 V912Y824-L839 HydrophobicContact CD1-CD1 4.19Å; Y824-L839 HydrophobicContact CG-CD2 4.28Å; V826-L839 HydrophobicContact CG1-CB 4.49Å; V826-L839 HydrophobicContact CG1-CD2 4.46Å; L839-I841 HydrophobicContact CD2-CG2 3.96Å; L839-I841 HydrophobicContact CG-CG2 4.16Å; L839-L874 HydrophobicContact CB-CB 4.18Å; L839-L874 HydrophobicContact CB-CD2 4.33Å; L839-L874 HydrophobicContact CD2-CD2 4.09Å; L839-L874 WeakPolarHBondContact O-CB 3.18Å; L839-L874 PolarHBondContact O-N 2.75Å; L839-V912 HydrophobicContact CD2-CG1 3.84Å; L839-V912 HydrophobicContact CD2-CG2 4.42Å
840Q92.1Very high89.1Confident122 Ų12257.7 Ų57.757%0.5735%0.351SS*.EExtended strand (participates in β ladder)trans-120.8119.2169.9-172.9174.511.900108.5T871 G872 E873Q840-T871 PolarHBondContact NE2-O 2.86Å; Q840-T871 VanDerWaalsContact NE2-O 3.1Å; Q840-G872 WeakPolarHBondContact CA-O 3.21Å; Q840-E873 HydrophobicContact CG-CG 4.31Å
841I92.3Very high89.3Confident1 Ų160.9 Ų60.91%0.00537%0.368CS..  trans-96.8145.8174.765.3179.4000109.6F819 Y824 L839 Y854 L867 G872 V896F819-I841 HydrophobicContact CD1-CB 4.35Å; F819-I841 HydrophobicContact CE1-CB 4.12Å; F819-I841 HydrophobicContact CE1-CD1 3.65Å; F819-I841 HydrophobicContact CE1-CG1 4.04Å; F819-I841 HydrophobicContact CZ-CD1 4.17Å; Y824-I841 HydrophobicContact CD1-CG2 4.34Å; Y824-I841 HydrophobicContact CD2-CG2 3.91Å; Y824-I841 HydrophobicContact CE1-CG2 4.31Å; Y824-I841 HydrophobicContact CE2-CB 4.26Å; Y824-I841 HydrophobicContact CE2-CG2 3.88Å; Y824-I841 HydrophobicContact CG-CG2 4.15Å; L839-I841 HydrophobicContact CD2-CG2 3.96Å; L839-I841 HydrophobicContact CG-CG2 4.16Å; I841-Y854 HydrophobicContact CD1-CD1 3.96Å; I841-Y854 HydrophobicContact CD1-CG 4.49Å; I841-Y854 HydrophobicContact CG1-CD1 4Å; I841-Y854 HydrophobicContact CG1-CE1 4.3Å; I841-L867 HydrophobicContact CD1-CD1 3.75Å; I841-L867 HydrophobicContact CD1-CD2 3.73Å; I841-L867 HydrophobicContact CD1-CG 4.36Å; I841-L867 HydrophobicContact CG1-CD1 4.02Å; I841-G872 WeakPolarHBondContact CG1-O 3.46Å; I841-G872 PolarHBondContact N-O 3.44Å; I841-G872 WeakPolarHBondContact O-CA 3.28Å; I841-V896 HydrophobicContact CD1-CB 3.99Å; I841-V896 HydrophobicContact CD1-CG1 4.35Å; I841-V896 HydrophobicContact CD1-CG2 3.71Å
842E92.7Very high89.6Confident91 Ų9158.1 Ų58.143%0.42535%0.354SS..  trans-135.4129.6179.8-175.3-178171.800108.4F819 T820 Y824 K844F819-E842 CarbonylContact C-O 3.52Å; F819-E842 WeakPolarHBondContact CA-O 3.28Å; T820-E842 HydrophobicContact CG2-CB 4.05Å; T820-E842 HydrophobicContact CG2-CG 4.28Å; T820-E842 PolarHBondContact N-O 3.08Å; T820-E842 PolarHBondContact OG1-O 2.69Å; Y824-E842 PolarHBondContact OH-O 2.97Å; E842-K844 WeakPolarHBondContact OE1-CE 3.46Å; E842-K844 IonicContact OE1-NZ 3.04Å; E842-K844 PolarHBondContact OE1-NZ 3.44Å
843A92Very high89.9Confident6 Ų656.5 Ų56.55%0.0535%0.346CS..EExtended strand (participates in β ladder)trans-125.2148.1170.300000110.1P817 V818 F819 V852 Y854 A898P817-A843 HydrophobicContact CB-CB 4.41Å; V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 2.96Å; V818-A843 WeakPolarHBondContact O-CB 3.39Å; F819-A843 HydrophobicContact CD1-CB 3.76Å; F819-A843 HydrophobicContact CE1-CB 4.01Å; F819-A843 HydrophobicContact CG-CB 4.04Å; A843-V852 HydrophobicContact CB-CG1 4.06Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.12Å; A843-Y854 PolarHBondContact O-OH 2.76Å; A843-A898 HydrophobicContact CB-CB 3.43Å; A843-A898 VanDerWaalsContact CB-CB 3.43Å
844K90.5Very high90.1Very high131 Ų13153.4 Ų53.457%0.5732%0.324SS*.EExtended strand (participates in β ladder)trans-126.7138.1179.4-69.6-176.3-177.9170.70110.1V818 E842V818-K844 PolarHBondContact N-O 3.45Å; V818-K844 PolarHBondContact O-N 2.82Å; E842-K844 WeakPolarHBondContact OE1-CE 3.46Å; E842-K844 IonicContact OE1-NZ 3.04Å; E842-K844 PolarHBondContact OE1-NZ 3.44Å
845D92.1Very high90.4Very high24 Ų2456 Ų5613%0.12832%0.32CS..  trans-116.3136.2172.3-165.9-33.8000107P817 D847 A850 V852P817-D845 HydrophobicContact CB-CB 4.29Å; P817-D845 VanDerWaalsContact CD-OD2 3.29Å; P817-D845 WeakPolarHBondContact CD-OD2 3.46Å; P817-D845 HydrophobicContact CG-CB 4.16Å; P817-D845 WeakPolarHBondContact CG-OD2 3.32Å; D845-D847 PolarHBondContact OD1-N 3.44Å; D845-D847 VanDerWaalsContact OD1-N 3.12Å; D845-A850 HydrophobicContact CB-CB 3.49Å; D845-A850 VanDerWaalsContact CB-CB 3.49Å; D845-V852 HydrophobicContact CB-CG2 3.84Å
846V90Very high90.7Very high88 Ų8853.7 Ų53.753%0.53329%0.294SS..  trans-92.4-11-171.9-67.70000112.4R779 E780 N815R779-V846 PolarHBondContact NH2-O 3.25Å; E780-V846 HydrophobicContact CG-CB 4.14Å; E780-V846 HydrophobicContact CG-CG2 3.72Å; N815-V846 HydrophobicContact CB-CG2 3.6Å; N815-V846 WeakPolarHBondContact ND2-CG2 3.47Å
847D92.3Very high90.9Very high11 Ų1157.1 Ų57.16%0.05930%0.301CS..SBendtrans-71.3154.5-179.1-63.6-12.1000111.9D813 D814 N815 D845 G849 A850D813-D847 WeakPolarHBondContact CA-OD2 3.41Å; D814-D847 PolarHBondContact N-OD2 3.34Å; D814-D847 VanDerWaalsContact N-OD2 3.15Å; N815-D847 WeakPolarHBondContact CB-OD1 3.31Å; N815-D847 PolarHBondContact N-OD2 3.13Å; N815-D847 PolarHBondContact ND2-OD1 3.43Å; D845-D847 PolarHBondContact OD1-N 3.44Å; D845-D847 VanDerWaalsContact OD1-N 3.12Å; D847-G849 PolarHBondContact O-N 3.31Å; D847-A850 PolarHBondContact O-N 3.43Å
848L86.1Confident90.9Very high119 Ų11954.8 Ų54.862%0.62329%0.285SS*.THydrogen-bonded Turntrans-74119-177.1-75.4176.5000111.8D811D811-L848 HydrophobicContact CB-CB 4.14Å; D811-L848 HydrophobicContact CB-CD1 4.02Å; D811-L848 HydrophobicContact CB-CG 4.31Å; D811-L848 PolarHBondContact OD1-N 2.89Å; D811-L848 WeakPolarHBondContact OD2-CB 3.42Å; D811-L848 PolarHBondContact OD2-N 2.78Å; D811-L848 VanDerWaalsContact OD2-N 3.15Å
849G83.9Confident90.9Very high69 Ų6957.2 Ų57.271%0.71131%0.305SS*.THydrogen-bonded Turntrans88.17.5175.900000113.8D847 N851D847-G849 PolarHBondContact O-N 3.31Å; G849-N851 PolarHBondContact O-N 2.84Å
850A85.9Confident90.8Very high32 Ų3261.1 Ų61.126%0.26432%0.322SS..  trans-57130.6173.600000111.5D845 D847D845-A850 HydrophobicContact CB-CB 3.49Å; D845-A850 VanDerWaalsContact CB-CB 3.49Å; D847-A850 PolarHBondContact O-N 3.43Å
851N89.4Confident90.7Very high74 Ų7455.7 Ų55.740%0.39630%0.297SS..  trans-126.684.4-178.4-169.6-0.5000109.7G849 S853 D900 I901G849-N851 PolarHBondContact O-N 2.84Å; N851-S853 PolarHBondContact O-N 3.21Å; N851-D900 WeakPolarHBondContact CA-OD1 3.32Å; N851-D900 PolarHBondContact N-OD1 3.41Å; N851-I901 HydrophobicContact CB-CD1 4.42Å; N851-I901 WeakPolarHBondContact O-CG1 3.38Å; N851-I901 PolarHBondContact O-N 2.77Å
852V90.4Very high90.5Very high23 Ų2360.9 Ų60.914%0.13932%0.32CS..EExtended strand (participates in β ladder)trans-65.6126.9-173.3-175.80000111.6P817 A843 D845 Y854 A898P817-V852 HydrophobicContact CB-CG1 4.07Å; P817-V852 HydrophobicContact CB-CG2 4.06Å; P817-V852 HydrophobicContact CG-CG2 4.24Å; A843-V852 HydrophobicContact CB-CG1 4.06Å; D845-V852 HydrophobicContact CB-CG2 3.84Å; V852-Y854 HydrophobicContact CG1-CE1 4.15Å; V852-A898 HydrophobicContact CG1-CB 3.8Å
853S93Very high90.3Very high9 Ų961.6 Ų61.66%0.06332%0.323CS..EExtended strand (participates in β ladder)trans-118.6146.1172.2-166.50000112N851 P869 A898 F899N851-S853 PolarHBondContact O-N 3.21Å; S853-P869 CarbonylContact C-O 3.53Å; S853-P869 WeakPolarHBondContact CA-O 3.26Å; S853-P869 PolarHBondContact OG-O 2.99Å; S853-A898 WeakPolarHBondContact O-CA 3.4Å; S853-F899 PolarHBondContact N-O 3.18Å; S853-F899 VanDerWaalsContact O-CD1 3.26Å; S853-F899 WeakPolarHBondContact O-CD1 3.48Å; S853-F899 PolarHBondContact O-N 3.45Å
854Y94.5Very high90.1Very high18 Ų1862.7 Ų62.77%0.07133%0.328CS..EExtended strand (participates in β ladder)trans-109140.7-174.6-54.5-81.4000111.9F819 I841 A843 V852 P869 A898F819-Y854 AromaticContact CE1-CD1 3.87Å; F819-Y854 HydrophobicContact CE1-CD1 3.87Å; F819-Y854 AromaticContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CZ-CD1 4.25Å; I841-Y854 HydrophobicContact CD1-CD1 3.96Å; I841-Y854 HydrophobicContact CD1-CG 4.49Å; I841-Y854 HydrophobicContact CG1-CD1 4Å; I841-Y854 HydrophobicContact CG1-CE1 4.3Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.12Å; A843-Y854 PolarHBondContact O-OH 2.76Å; V852-Y854 HydrophobicContact CG1-CE1 4.15Å; Y854-P869 PolarHBondContact N-O 3.3Å; Y854-P869 WeakPolarHBondContact O-CA 3.25Å; Y854-A898 HydrophobicContact CD1-CB 4.01Å; Y854-A898 HydrophobicContact CE1-CB 4.06Å
855R93.1Very high90.3Very high117 Ų11756.6 Ų56.644%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-150.8157.7168.969.5-175.3-167.7-144-10112.8E897 F899R855-E897 HydrophobicContact CG-CG 3.57Å; R855-E897 IonicContact CZ-OE1 2.65Å; R855-E897 PolarHBondContact N-O 2.82Å; R855-E897 IonicContact NE-OE1 3Å; R855-E897 PolarHBondContact NE-OE1 2.74Å; R855-E897 VanDerWaalsContact NH2-CD 3.28Å; R855-E897 IonicContact NH2-OE1 3.54Å; R855-E897 PolarHBondContact NH2-OE1 3.49Å; R855-E897 IonicContact NH2-OE2 3.18Å; R855-E897 PolarHBondContact NH2-OE2 3.36Å; R855-E897 PolarHBondContact O-N 2.74Å; R855-F899 HydrophobicContact CB-CE1 4.27Å; R855-F899 HydrophobicContact CG-CD1 4.23Å; R855-F899 HydrophobicContact CG-CE1 3.79Å
856I94Very high90.3Very high10 Ų1056.9 Ų56.95%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-80.4121.8173.2-59.7173.9000108.1S858 V861 K862 F865 L867 L874 F894 V896I856-S858 VanDerWaalsContact CG2-O 3.3Å; I856-S858 WeakPolarHBondContact CG2-O 3.14Å; I856-V861 HydrophobicContact CG2-CG2 3.66Å; I856-K862 HydrophobicContact CB-CG 4.36Å; I856-K862 HydrophobicContact CG2-CG 4.21Å; I856-K862 WeakPolarHBondContact O-CE 3.19Å; I856-K862 PolarHBondContact O-NZ 2.91Å; I856-F865 HydrophobicContact CD1-CB 3.95Å; I856-F865 VanDerWaalsContact CD1-O 3.32Å; I856-F865 WeakPolarHBondContact CD1-O 3.48Å; I856-L867 HydrophobicContact CD1-CB 4.13Å; I856-L867 HydrophobicContact CG1-CB 3.78Å; I856-L867 HydrophobicContact CG1-CD2 4.12Å; I856-L874 HydrophobicContact CD1-CD1 4.28Å; I856-F894 HydrophobicContact CG1-CE2 4.45Å; I856-F894 HydrophobicContact CG2-CD2 4.1Å; I856-F894 HydrophobicContact CG2-CE2 4.37Å; I856-V896 HydrophobicContact CG1-CG1 4.45Å
857R92.2Very high90.5Very high123 Ų12353.7 Ų53.746%0.46429%0.287SS..  trans-77.1-50.2178.6-173.2179.6179-159.51.5110.5P859 L895 E897R857-P859 WeakPolarHBondContact O-CD 3.45Å; R857-P859 VanDerWaalsContact O-N 3.17Å; R857-L895 HydrophobicContact CB-CB 4.1Å; R857-L895 WeakPolarHBondContact CB-O 3.5Å; R857-L895 PolarHBondContact N-O 3.35Å; R857-E897 HydrophobicContact CB-CG 4.37Å
858S92.1Very high90.6Very high13 Ų1357.3 Ų57.39%0.09130%0.304CS..  trans-59.4104.3177.1-820000112.5I856 E860 L895I856-S858 VanDerWaalsContact CG2-O 3.3Å; I856-S858 WeakPolarHBondContact CG2-O 3.14Å; S858-E860 VanDerWaalsContact C-N 3.28Å; S858-E860 WeakPolarHBondContact CB-OE1 3.35Å; S858-E860 PolarHBondContact O-N 3.09Å; S858-E860 PolarHBondContact OG-OE1 2.87Å; S858-L895 PolarHBondContact N-O 3.39Å; S858-L895 PolarHBondContact OG-N 3.35Å
859P88.6Confident90.8Very high90 Ų9054.1 Ų54.158%0.58429%0.29SS*.G310 helixtrans-66.7-29.6-177.727.8-35.4000113.2R857 V861 K862R857-P859 WeakPolarHBondContact O-CD 3.45Å; R857-P859 VanDerWaalsContact O-N 3.17Å; P859-V861 PolarHBondContact O-N 3.36Å; P859-K862 PolarHBondContact O-N 3.3Å
860E89.1Confident91.1Very high113 Ų11356.8 Ų56.853%0.52828%0.282SS..G310 helixtrans-59-30.5-177.655.4-77.7172.100113S858 H863S858-E860 VanDerWaalsContact C-N 3.28Å; S858-E860 WeakPolarHBondContact CB-OE1 3.35Å; S858-E860 PolarHBondContact O-N 3.09Å; S858-E860 PolarHBondContact OG-OE1 2.87Å; E860-H863 PolarHBondContact O-CE1 2.79Å; E860-H863 PolarHBondContact O-ND1 3.42Å
861V90.4Very high91.3Very high8 Ų857.9 Ų57.95%0.04829%0.286CS..G310 helixtrans-98.3-2.9-177.6-54.70000114.5I856 P859 H863 L864 F865 I892 F894I856-V861 HydrophobicContact CG2-CG2 3.66Å; P859-V861 PolarHBondContact O-N 3.36Å; V861-H863 PolarHBondContact O-N 2.86Å; V861-L864 PolarHBondContact O-N 3.24Å; V861-F865 HydrophobicContact CB-CD2 3.89Å; V861-F865 HydrophobicContact CB-CE2 4.25Å; V861-F865 HydrophobicContact CG2-CD2 4.16Å; V861-F865 PolarHBondContact O-N 2.91Å; V861-I892 HydrophobicContact CG1-CG2 3.83Å; V861-F894 HydrophobicContact CB-CB 4.47Å; V861-F894 HydrophobicContact CB-CD1 4.49Å; V861-F894 HydrophobicContact CB-CG 4.43Å; V861-F894 HydrophobicContact CG1-CB 3.92Å; V861-F894 HydrophobicContact CG1-CD1 4.24Å; V861-F894 HydrophobicContact CG1-CG 4.25Å; V861-F894 HydrophobicContact CG2-CB 3.77Å; V861-F894 HydrophobicContact CG2-CD1 4.09Å; V861-F894 HydrophobicContact CG2-CD2 3.76Å; V861-F894 HydrophobicContact CG2-CE2 4.29Å; V861-F894 HydrophobicContact CG2-CG 3.63Å
862K88.2Confident91.4Very high109 Ų10954.4 Ų54.447%0.47427%0.267SS..THydrogen-bonded Turntrans-63-16.1-176.4-71.6-175.1178.5-179.50114.5I856 P859 L877I856-K862 HydrophobicContact CB-CG 4.36Å; I856-K862 HydrophobicContact CG2-CG 4.21Å; I856-K862 WeakPolarHBondContact O-CE 3.19Å; I856-K862 PolarHBondContact O-NZ 2.91Å; P859-K862 PolarHBondContact O-N 3.3Å; K862-L877 VanDerWaalsContact O-CD1 3.28Å; K862-L877 WeakPolarHBondContact O-CD1 3.45Å
863H88.3Confident91.6Very high107 Ų10757 Ų5750%0.49528%0.278SS..THydrogen-bonded Turntrans-86.9-12.817570-81000113.1E860 V861E860-H863 PolarHBondContact O-CE1 2.79Å; E860-H863 PolarHBondContact O-ND1 3.42Å; V861-H863 PolarHBondContact O-N 2.86Å
864L88.7Confident91.6Very high29 Ų2956.6 Ų56.615%0.15228%0.275CS..THydrogen-bonded Turntrans-104.6-39.4-179.4-60.3175.2000111.9V861 L877 L880 I892V861-L864 PolarHBondContact O-N 3.24Å; L864-L877 PolarHBondContact O-N 3.05Å; L864-L880 HydrophobicContact CD2-CD2 4.42Å; L864-I892 HydrophobicContact CD1-CD1 4.09Å
865F93.6Very high91.5Very high2 Ų256.9 Ų56.91%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-123.1144.2-176-51.3-68.9000112.3F838 I856 V861 L874 S875 L876 L880 I892 F894 V914F838-F865 AromaticContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CE1 4.11Å; F838-F865 AromaticContact CZ-CD1 3.62Å; F838-F865 HydrophobicContact CZ-CD1 3.62Å; F838-F865 AromaticContact CZ-CE1 3.74Å; F838-F865 HydrophobicContact CZ-CE1 3.74Å; I856-F865 HydrophobicContact CD1-CB 3.95Å; I856-F865 VanDerWaalsContact CD1-O 3.32Å; I856-F865 WeakPolarHBondContact CD1-O 3.48Å; V861-F865 HydrophobicContact CB-CD2 3.89Å; V861-F865 HydrophobicContact CB-CE2 4.25Å; V861-F865 HydrophobicContact CG2-CD2 4.16Å; V861-F865 PolarHBondContact O-N 2.91Å; F865-L874 HydrophobicContact CB-CD1 4.25Å; F865-S875 CarbonylContact C-O 3.57Å; F865-S875 WeakPolarHBondContact CA-O 3.17Å; F865-L876 HydrophobicContact CD1-CD2 3.85Å; F865-L876 HydrophobicContact CE1-CD2 3.56Å; F865-L880 HydrophobicContact CE1-CD1 4.23Å; F865-L880 HydrophobicContact CZ-CD1 4.24Å; F865-I892 HydrophobicContact CE2-CB 4.47Å; F865-I892 HydrophobicContact CE2-CD1 4.13Å; F865-I892 HydrophobicContact CE2-CG2 4.08Å; F865-I892 HydrophobicContact CZ-CD1 3.88Å; F865-F894 HydrophobicContact CB-CZ 4.47Å; F865-F894 HydrophobicContact CD2-CD1 4.21Å; F865-F894 AromaticContact CD2-CE1 3.51Å; F865-F894 HydrophobicContact CD2-CE1 3.51Å; F865-F894 AromaticContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CE2-CD1 4.09Å; F865-F894 AromaticContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CZ 4.19Å; F865-F894 HydrophobicContact CG-CE1 4.27Å; F865-F894 HydrophobicContact CG-CZ 4.14Å; F865-F894 HydrophobicContact CZ-CE1 4.24Å; F865-V914 HydrophobicContact CE1-CG1 4.38Å; F865-V914 HydrophobicContact CE1-CG2 4.21Å; F865-V914 HydrophobicContact CZ-CB 4.2Å; F865-V914 HydrophobicContact CZ-CG1 4.25Å; F865-V914 HydrophobicContact CZ-CG2 3.97Å
866A92.4Very high91.5Very high31 Ų3151.4 Ų51.426%0.25626%0.259SS..EExtended strand (participates in β ladder)trans-118.8134.4169.200000110L874 S875 L877A866-L874 WeakPolarHBondContact O-CA 3.32Å; A866-S875 PolarHBondContact N-O 3.41Å; A866-S875 PolarHBondContact O-N 3.1Å; A866-S875 PolarHBondContact O-OG 2.74Å; A866-L877 HydrophobicContact CB-CD1 4.01Å; A866-L877 HydrophobicContact CB-CD2 3.87Å; A866-L877 HydrophobicContact CB-CG 3.79Å
867L94.3Very high91.2Very high21 Ų2155.3 Ų55.311%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-114.6122.9178179.656.4000109.1I841 I856 E873 L874 V896I841-L867 HydrophobicContact CD1-CD1 3.75Å; I841-L867 HydrophobicContact CD1-CD2 3.73Å; I841-L867 HydrophobicContact CD1-CG 4.36Å; I841-L867 HydrophobicContact CG1-CD1 4.02Å; I856-L867 HydrophobicContact CD1-CB 4.13Å; I856-L867 HydrophobicContact CG1-CB 3.78Å; I856-L867 HydrophobicContact CG1-CD2 4.12Å; L867-E873 WeakPolarHBondContact CA-O 3.25Å; L867-L874 HydrophobicContact CB-CD1 3.92Å; L867-L874 HydrophobicContact CD1-CB 4.3Å; L867-L874 HydrophobicContact CD1-CD1 4.08Å; L867-L874 HydrophobicContact CG-CD1 4.46Å; L867-V896 HydrophobicContact CD2-CB 4.17Å; L867-V896 HydrophobicContact CD2-CG1 3.94Å
868H93.5Very high91Very high87 Ų8756.7 Ų56.740%0.40329%0.285SS..  trans-74.3124-179-172.3-87.7000110.7F870 T871 G872 E873H868-F870 PolarHBondContact ND1-N 2.96Å; H868-F870 PolarHBondContact O-N 2.83Å; H868-T871 VanDerWaalsContact CB-OG1 3.26Å; H868-T871 WeakPolarHBondContact CB-OG1 3.47Å; H868-T871 PolarHBondContact ND1-N 3.23Å; H868-T871 PolarHBondContact ND1-OG1 3.09Å; H868-G872 PolarHBondContact O-N 2.76Å; H868-G872 VanDerWaalsContact O-N 3.11Å; H868-E873 HydrophobicContact CB-CB 4.39Å; H868-E873 PolarHBondContact N-O 2.77Å
869P91.7Very high90.7Very high52 Ų5258.9 Ų58.934%0.33830%0.3SS..THydrogen-bonded Turntrans-68.3-15.7-164.225-34.6000115S853 Y854S853-P869 CarbonylContact C-O 3.53Å; S853-P869 WeakPolarHBondContact CA-O 3.26Å; S853-P869 PolarHBondContact OG-O 2.99Å; Y854-P869 PolarHBondContact N-O 3.3Å; Y854-P869 WeakPolarHBondContact O-CA 3.25Å
870F89.9Confident90.8Very high125 Ų12555 Ų5555%0.54827%0.274SS..THydrogen-bonded Turntrans-120.6-18.3-178-57.6-73.2000114.4H868 I901H868-F870 PolarHBondContact ND1-N 2.96Å; H868-F870 PolarHBondContact O-N 2.83Å; F870-I901 HydrophobicContact CE1-CD1 3.92Å
871T90.8Very high90.6Very high55 Ų5552.9 Ų52.934%0.33727%0.266SS..THydrogen-bonded Turntrans-107.1-15-177.460.30000112.4Q840 H868 E873Q840-T871 PolarHBondContact NE2-O 2.86Å; Q840-T871 VanDerWaalsContact NE2-O 3.1Å; H868-T871 VanDerWaalsContact CB-OG1 3.26Å; H868-T871 WeakPolarHBondContact CB-OG1 3.47Å; H868-T871 PolarHBondContact ND1-N 3.23Å; H868-T871 PolarHBondContact ND1-OG1 3.09Å; T871-E873 PolarHBondContact O-N 3.06Å
872G91Very high90.2Very high0 Ų054.2 Ų54.20%027%0.271CS..  trans70.212.3-177.600000113.8Q840 I841 H868 L874Q840-G872 WeakPolarHBondContact CA-O 3.21Å; I841-G872 WeakPolarHBondContact CG1-O 3.46Å; I841-G872 PolarHBondContact N-O 3.44Å; I841-G872 WeakPolarHBondContact O-CA 3.28Å; H868-G872 PolarHBondContact O-N 2.76Å; H868-G872 VanDerWaalsContact O-N 3.11Å; G872-L874 PolarHBondContact O-N 2.8Å
873E93.8Very high89.8Confident79 Ų7951.9 Ų51.937%0.36926%0.261SS..EExtended strand (participates in β ladder)trans-74.5121.9176.3-72.5-177-155.900111S837 Q840 L867 H868 T871S837-E873 PolarHBondContact OG-OE2 3.38Å; Q840-E873 HydrophobicContact CG-CG 4.31Å; L867-E873 WeakPolarHBondContact CA-O 3.25Å; H868-E873 HydrophobicContact CB-CB 4.39Å; H868-E873 PolarHBondContact N-O 2.77Å; T871-E873 PolarHBondContact O-N 3.06Å
874L93.7Very high89.4Confident0 Ų050.1 Ų50.10%027%0.266CS..EExtended strand (participates in β ladder)trans-96.9124.6175.1-167.175.6000109.1S837 F838 L839 I856 F865 A866 L867 G872 F894 V912S837-L874 WeakPolarHBondContact CA-O 3.07Å; F838-L874 HydrophobicContact CE1-CD2 4.35Å; F838-L874 HydrophobicContact CE1-CG 4.22Å; F838-L874 HydrophobicContact CE2-CD2 3.51Å; F838-L874 HydrophobicContact CE2-CG 4.2Å; F838-L874 HydrophobicContact CZ-CB 4.42Å; F838-L874 HydrophobicContact CZ-CD2 3.38Å; F838-L874 HydrophobicContact CZ-CG 3.7Å; F838-L874 PolarHBondContact N-O 2.89Å; L839-L874 HydrophobicContact CB-CB 4.18Å; L839-L874 HydrophobicContact CB-CD2 4.33Å; L839-L874 HydrophobicContact CD2-CD2 4.09Å; L839-L874 WeakPolarHBondContact O-CB 3.18Å; L839-L874 PolarHBondContact O-N 2.75Å; I856-L874 HydrophobicContact CD1-CD1 4.28Å; F865-L874 HydrophobicContact CB-CD1 4.25Å; A866-L874 WeakPolarHBondContact O-CA 3.32Å; L867-L874 HydrophobicContact CB-CD1 3.92Å; L867-L874 HydrophobicContact CD1-CB 4.3Å; L867-L874 HydrophobicContact CD1-CD1 4.08Å; L867-L874 HydrophobicContact CG-CD1 4.46Å; G872-L874 PolarHBondContact O-N 2.8Å; L874-F894 HydrophobicContact CD1-CE2 4.4Å; L874-F894 HydrophobicContact CD1-CZ 4.25Å; L874-F894 HydrophobicContact CD2-CZ 3.86Å; L874-V912 HydrophobicContact CD2-CG1 4.02Å
875S93Very high89Confident24 Ų2451 Ų5117%0.16827%0.268CS..EExtended strand (participates in β ladder)trans-131.1153.6-173.260.80000112.4T836 F865 A866T836-S875 CarbonylContact O-C 3.55Å; T836-S875 WeakPolarHBondContact O-CA 3.16Å; F865-S875 CarbonylContact C-O 3.57Å; F865-S875 WeakPolarHBondContact CA-O 3.17Å; A866-S875 PolarHBondContact N-O 3.41Å; A866-S875 PolarHBondContact O-N 3.1Å; A866-S875 PolarHBondContact O-OG 2.74Å
876L91.7Very high88Confident2 Ų255.5 Ų55.51%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-79128.6176.8-70.1168.3000110.8V828 L832 G835 T836 F838 F865 L880V828-L876 HydrophobicContact CG1-CD1 4.06Å; L832-L876 HydrophobicContact CB-CD1 3.73Å; G835-L876 WeakPolarHBondContact CA-O 3.34Å; G835-L876 PolarHBondContact N-O 2.95Å; T836-L876 PolarHBondContact O-N 3.36Å; F838-L876 HydrophobicContact CD1-CD2 4.42Å; F838-L876 HydrophobicContact CD1-CG 3.88Å; F838-L876 HydrophobicContact CE1-CD2 3.93Å; F838-L876 HydrophobicContact CE1-CG 3.79Å; F865-L876 HydrophobicContact CD1-CD2 3.85Å; F865-L876 HydrophobicContact CE1-CD2 3.56Å; L876-L880 HydrophobicContact CD2-CD1 3.99Å; L876-L880 HydrophobicContact CD2-CG 4.05Å
877L89.1Confident86.8Confident91 Ų9161.1 Ų61.148%0.47632%0.323SS..SBendtrans-87.9-26.8168.3-72.1168.6000112.3A834 K862 L864 A866A834-L877 WeakPolarHBondContact CB-O 2.88Å; K862-L877 VanDerWaalsContact O-CD1 3.28Å; K862-L877 WeakPolarHBondContact O-CD1 3.45Å; L864-L877 PolarHBondContact O-N 3.05Å; A866-L877 HydrophobicContact CB-CD1 4.01Å; A866-L877 HydrophobicContact CB-CD2 3.87Å; A866-L877 HydrophobicContact CB-CG 3.79Å
878R87.1Confident85.4Confident153 Ų15365.8 Ų65.858%0.57735%0.345SS*.SBendtrans-138.1147.1177.7-168.6-177.7-69.2-165.6-0.8108.4
879S86.6Confident84.4Confident58 Ų5868.7 Ų68.741%0.40636%0.358SS..  trans-62.1142.9168.751.20000110.1L832L832-S879 WeakPolarHBondContact O-CB 3.24Å
880L89.1Confident84Confident9 Ų966.6 Ų66.65%0.04735%0.345CS..  trans-92.7153.5173.1-57.4176.4000109.1V828 N831 L864 F865 L876 I892 V914 V916V828-L880 HydrophobicContact CG1-CD1 4.43Å; N831-L880 PolarHBondContact N-O 3.1Å; L864-L880 HydrophobicContact CD2-CD2 4.42Å; F865-L880 HydrophobicContact CE1-CD1 4.23Å; F865-L880 HydrophobicContact CZ-CD1 4.24Å; L876-L880 HydrophobicContact CD2-CD1 3.99Å; L876-L880 HydrophobicContact CD2-CG 4.05Å; L880-I892 HydrophobicContact CD1-CD1 4.38Å; L880-I892 HydrophobicContact CD2-CD1 4.14Å; L880-V914 HydrophobicContact CD1-CG1 4.28Å; L880-V916 HydrophobicContact CB-CG1 4.28Å; L880-V916 HydrophobicContact CB-CG2 4.2Å; L880-V916 HydrophobicContact CD1-CG2 3.71Å
881D85.5Confident84Confident68 Ų6863.3 Ų63.336%0.36434%0.338SS..  trans-132.2118.2-173.3-173.149.3000106.4A884 F885D881-A884 HydrophobicContact CB-CB 4.11Å; D881-F885 VanDerWaalsContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CD2 3.12Å; D881-F885 VanDerWaalsContact O-CE2 3.29Å; D881-F885 WeakPolarHBondContact O-CE2 3.41Å
882Y83.3Confident84Confident36 Ų3661.7 Ų61.714%0.14133%0.327CS..G310 helixtrans-69.3-38.2-172.1-178.3-92.9000111.1E830 A884 F885 A890 V916 D918E830-Y882 VanDerWaalsContact OE2-CB 3.26Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.47Å; E830-Y882 PolarHBondContact OE2-N 3.27Å; Y882-A884 PolarHBondContact O-N 3.25Å; Y882-F885 WeakPolarHBondContact O-CD2 3.31Å; Y882-F885 PolarHBondContact O-N 2.79Å; Y882-A890 HydrophobicContact CD2-CB 3.3Å; Y882-A890 HydrophobicContact CE2-CB 3.27Å; Y882-A890 HydrophobicContact CG-CB 4.2Å; Y882-V916 HydrophobicContact CD2-CB 4.41Å; Y882-V916 HydrophobicContact CD2-CG1 4.29Å; Y882-V916 WeakPolarHBondContact CD2-O 3.5Å; Y882-V916 WeakPolarHBondContact CE2-O 3.33Å; Y882-D918 HydrophobicContact CD1-CB 3.72Å; Y882-D918 HydrophobicContact CD2-CB 3.82Å; Y882-D918 HydrophobicContact CE1-CB 3.77Å; Y882-D918 HydrophobicContact CE2-CB 3.86Å; Y882-D918 HydrophobicContact CG-CB 3.77Å
883E79.2Confident84.1Confident60 Ų6066.1 Ų66.128%0.2835%0.354SS..G310 helixtrans-69.8-15-178.1-69.260.3-125.900113.1F885 Y922E883-F885 VanDerWaalsContact C-N 3.27Å; E883-F885 PolarHBondContact O-N 2.9Å; E883-Y922 HydrophobicContact CG-CE2 3.94Å
884A79.9Confident84.1Confident71 Ų7162.6 Ų62.659%0.58734%0.338SS*.G310 helixtrans-77.2-11177.700000113.5D881 Y882D881-A884 HydrophobicContact CB-CB 4.11Å; Y882-A884 PolarHBondContact O-N 3.25Å
885F80.4Confident84.2Confident47 Ų4765 Ų6521%0.20635%0.35CS..SBendtrans-87.6131.5-178.2-70.7-96000112.3D881 Y882 E883 A890 I892 V916D881-F885 VanDerWaalsContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CD2 3.12Å; D881-F885 VanDerWaalsContact O-CE2 3.29Å; D881-F885 WeakPolarHBondContact O-CE2 3.41Å; Y882-F885 WeakPolarHBondContact O-CD2 3.31Å; Y882-F885 PolarHBondContact O-N 2.79Å; E883-F885 VanDerWaalsContact C-N 3.27Å; E883-F885 PolarHBondContact O-N 2.9Å; F885-A890 HydrophobicContact CB-CB 4.08Å; F885-A890 HydrophobicContact CD1-CB 4.45Å; F885-A890 HydrophobicContact CD2-CB 3.82Å; F885-A890 HydrophobicContact CE2-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 3.87Å; F885-I892 HydrophobicContact CE1-CD1 4.13Å; F885-I892 HydrophobicContact CE1-CG1 3.63Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 3.78Å; F885-V916 HydrophobicContact CE2-CB 4.38Å; F885-V916 HydrophobicContact CE2-CG2 3.87Å; F885-V916 HydrophobicContact CZ-CG2 3.86Å
886P72.4Confident84.2Confident96 Ų9663.9 Ų63.962%0.62334%0.342SS*.G310 helixtrans-67.2148174.523.6-25.8000111.5Q888 E889P886-Q888 PolarHBondContact O-N 3.17Å; P886-E889 PolarHBondContact O-N 2.91Å
887D67.1Low84.4Confident149 Ų14964.4 Ų64.480%0.79735%0.345SS*.G310 helixtrans58.419.2173-53.4-42.5000116.1E889D887-E889 PolarHBondContact O-N 3.36Å
888Q64.4Low84.6Confident120 Ų12060.1 Ų60.156%0.56132%0.322SS*.G310 helixtrans61.915.1-177.2-50.1-176.7-63.300114.2P886 A890P886-Q888 PolarHBondContact O-N 3.17Å; Q888-A890 VanDerWaalsContact C-N 3.33Å; Q888-A890 PolarHBondContact O-N 2.73Å; Q888-A890 VanDerWaalsContact O-N 3.17Å
889E73.2Confident84.8Confident148 Ų14855.3 Ų55.369%0.69231%0.305SS*.  trans-87.670.5173-71.3-171.1173.500110.6P886 D887 S891P886-E889 PolarHBondContact O-N 2.91Å; D887-E889 PolarHBondContact O-N 3.36Å; E889-S891 PolarHBondContact O-N 3.43Å
890A83.9Confident85Confident7 Ų753.5 Ų53.56%0.05829%0.291CS..  trans-78.157.9-178.200000112.7Y882 F885 Q888 V916Y882-A890 HydrophobicContact CD2-CB 3.3Å; Y882-A890 HydrophobicContact CE2-CB 3.27Å; Y882-A890 HydrophobicContact CG-CB 4.2Å; F885-A890 HydrophobicContact CB-CB 4.08Å; F885-A890 HydrophobicContact CD1-CB 4.45Å; F885-A890 HydrophobicContact CD2-CB 3.82Å; F885-A890 HydrophobicContact CE2-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 3.87Å; Q888-A890 VanDerWaalsContact C-N 3.33Å; Q888-A890 PolarHBondContact O-N 2.73Å; Q888-A890 VanDerWaalsContact O-N 3.17Å; A890-V916 HydrophobicContact CB-CB 3.98Å; A890-V916 PolarHBondContact O-N 3.41Å
891S89.3Confident85Confident56 Ų5656.2 Ų56.239%0.39231%0.305SS..EExtended strand (participates in β ladder)trans-129.1135.2176.675.10000111.8E889 V914E889-S891 PolarHBondContact O-N 3.43Å; S891-V914 CarbonylContact C-O 3.59Å; S891-V914 VanDerWaalsContact CA-O 3.32Å; S891-V914 WeakPolarHBondContact CA-O 3.42Å
892I90.5Very high84.9Confident22 Ų2262 Ų6211%0.11332%0.323CS..EExtended strand (participates in β ladder)trans-113117.8176.3-54.6167.1000108.1V861 L864 F865 L880 F885 F894 T913 V914V861-I892 HydrophobicContact CG1-CG2 3.83Å; L864-I892 HydrophobicContact CD1-CD1 4.09Å; F865-I892 HydrophobicContact CE2-CB 4.47Å; F865-I892 HydrophobicContact CE2-CD1 4.13Å; F865-I892 HydrophobicContact CE2-CG2 4.08Å; F865-I892 HydrophobicContact CZ-CD1 3.88Å; L880-I892 HydrophobicContact CD1-CD1 4.38Å; L880-I892 HydrophobicContact CD2-CD1 4.14Å; F885-I892 HydrophobicContact CE1-CD1 4.13Å; F885-I892 HydrophobicContact CE1-CG1 3.63Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 3.78Å; I892-F894 HydrophobicContact CG2-CD1 4.17Å; I892-T913 WeakPolarHBondContact O-CA 3.2Å; I892-V914 PolarHBondContact N-O 3.37Å; I892-V914 PolarHBondContact O-N 3.13Å
893T92.1Very high84.9Confident93 Ų9361.5 Ų61.557%0.57133%0.329SS*.EExtended strand (participates in β ladder)trans-106.1132.5175.153.40000110.1V912 T913T893-V912 WeakPolarHBondContact CA-O 3.3Å; T893-T913 HydrophobicContact CG2-CG2 3.68Å
894F94.1Very high85.1Confident5 Ų564.6 Ų64.62%0.02235%0.352CS..EExtended strand (participates in β ladder)trans-154.7165.717864.5-90.3000112.3I856 V861 F865 L874 I892 V896 V912 V914I856-F894 HydrophobicContact CG1-CE2 4.45Å; I856-F894 HydrophobicContact CG2-CD2 4.1Å; I856-F894 HydrophobicContact CG2-CE2 4.37Å; V861-F894 HydrophobicContact CB-CB 4.47Å; V861-F894 HydrophobicContact CB-CD1 4.49Å; V861-F894 HydrophobicContact CB-CG 4.43Å; V861-F894 HydrophobicContact CG1-CB 3.92Å; V861-F894 HydrophobicContact CG1-CD1 4.24Å; V861-F894 HydrophobicContact CG1-CG 4.25Å; V861-F894 HydrophobicContact CG2-CB 3.77Å; V861-F894 HydrophobicContact CG2-CD1 4.09Å; V861-F894 HydrophobicContact CG2-CD2 3.76Å; V861-F894 HydrophobicContact CG2-CE2 4.29Å; V861-F894 HydrophobicContact CG2-CG 3.63Å; F865-F894 HydrophobicContact CB-CZ 4.47Å; F865-F894 HydrophobicContact CD2-CD1 4.21Å; F865-F894 AromaticContact CD2-CE1 3.51Å; F865-F894 HydrophobicContact CD2-CE1 3.51Å; F865-F894 AromaticContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CE2-CD1 4.09Å; F865-F894 AromaticContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CZ 4.19Å; F865-F894 HydrophobicContact CG-CE1 4.27Å; F865-F894 HydrophobicContact CG-CZ 4.14Å; F865-F894 HydrophobicContact CZ-CE1 4.24Å; L874-F894 HydrophobicContact CD1-CE2 4.4Å; L874-F894 HydrophobicContact CD1-CZ 4.25Å; L874-F894 HydrophobicContact CD2-CZ 3.86Å; I892-F894 HydrophobicContact CG2-CD1 4.17Å; F894-V896 HydrophobicContact CD2-CG1 4.1Å; F894-V896 HydrophobicContact CE2-CG1 3.68Å; F894-V912 HydrophobicContact CD1-CB 4.5Å; F894-V912 HydrophobicContact CD2-CB 4.4Å; F894-V912 HydrophobicContact CE1-CB 4.15Å; F894-V912 HydrophobicContact CE1-CG1 4.04Å; F894-V912 HydrophobicContact CE2-CB 4.03Å; F894-V912 HydrophobicContact CE2-CG1 4.46Å; F894-V912 HydrophobicContact CE2-CG2 4.37Å; F894-V912 HydrophobicContact CZ-CB 3.91Å; F894-V912 HydrophobicContact CZ-CG1 3.87Å; F894-V912 PolarHBondContact N-O 2.88Å; F894-V912 PolarHBondContact O-N 3Å; F894-V914 HydrophobicContact CE1-CG2 3.89Å
895L95.7Very high85.6Confident50 Ų5064.6 Ų64.626%0.26234%0.341SS..EExtended strand (participates in β ladder)trans-101134.4-178.5-62.6178.3000112R857 S858 I909 T911R857-L895 HydrophobicContact CB-CB 4.1Å; R857-L895 WeakPolarHBondContact CB-O 3.5Å; R857-L895 PolarHBondContact N-O 3.35Å; S858-L895 PolarHBondContact N-O 3.39Å; S858-L895 PolarHBondContact OG-N 3.35Å; L895-I909 HydrophobicContact CB-CG2 4.33Å; L895-I909 HydrophobicContact CD1-CG2 4.37Å; L895-I909 HydrophobicContact CD2-CG2 3.91Å; L895-I909 HydrophobicContact CG-CG2 4.44Å; L895-T911 HydrophobicContact CD2-CG2 3.4Å
896V94.4Very high86.1Confident0 Ų066.1 Ų66.10%036%0.355CS..EExtended strand (participates in β ladder)trans-111.4148.9166.6-62.40000109.2F819 I841 I856 L867 F894 I909 A910 V912F819-V896 HydrophobicContact CE1-CG2 4.38Å; F819-V896 HydrophobicContact CE2-CG2 4.47Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; I841-V896 HydrophobicContact CD1-CB 3.99Å; I841-V896 HydrophobicContact CD1-CG1 4.35Å; I841-V896 HydrophobicContact CD1-CG2 3.71Å; I856-V896 HydrophobicContact CG1-CG1 4.45Å; L867-V896 HydrophobicContact CD2-CB 4.17Å; L867-V896 HydrophobicContact CD2-CG1 3.94Å; F894-V896 HydrophobicContact CD2-CG1 4.1Å; F894-V896 HydrophobicContact CE2-CG1 3.68Å; V896-I909 WeakPolarHBondContact O-CA 3.21Å; V896-A910 HydrophobicContact CG2-CB 3.99Å; V896-A910 WeakPolarHBondContact CG2-O 3.14Å; V896-A910 PolarHBondContact N-O 3.24Å; V896-A910 PolarHBondContact O-N 2.79Å; V896-V912 HydrophobicContact CB-CG2 4.46Å; V896-V912 HydrophobicContact CG1-CG2 3.82Å; V896-V912 HydrophobicContact CG2-CG2 3.78Å
897E94.3Very high87Confident14 Ų1463.8 Ų63.87%0.06534%0.34CS..EExtended strand (participates in β ladder)trans-130142177.970.8-168150.500111.7R855 R857 P907 G908 I909R855-E897 HydrophobicContact CG-CG 3.57Å; R855-E897 IonicContact CZ-OE1 2.65Å; R855-E897 PolarHBondContact N-O 2.82Å; R855-E897 IonicContact NE-OE1 3Å; R855-E897 PolarHBondContact NE-OE1 2.74Å; R855-E897 VanDerWaalsContact NH2-CD 3.28Å; R855-E897 IonicContact NH2-OE1 3.54Å; R855-E897 PolarHBondContact NH2-OE1 3.49Å; R855-E897 IonicContact NH2-OE2 3.18Å; R855-E897 PolarHBondContact NH2-OE2 3.36Å; R855-E897 PolarHBondContact O-N 2.74Å; R857-E897 HydrophobicContact CB-CG 4.37Å; E897-P907 HydrophobicContact CB-CB 4.23Å; E897-G908 CarbonylContact C-O 3.54Å; E897-G908 WeakPolarHBondContact CA-O 2.96Å; E897-G908 WeakPolarHBondContact CB-O 3.35Å; E897-I909 HydrophobicContact CB-CG1 4.42Å
898A93.7Very high88.2Confident0 Ų057.2 Ų57.20%031%0.308CS..EExtended strand (participates in β ladder)trans-112.6125.6174.600000108.1P817 F819 A843 V852 S853 Y854 P907 G908P817-A898 HydrophobicContact CB-CB 4.07Å; F819-A898 HydrophobicContact CD2-CB 4.38Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.66Å; F819-A898 HydrophobicContact CZ-CB 3.38Å; A843-A898 HydrophobicContact CB-CB 3.43Å; A843-A898 VanDerWaalsContact CB-CB 3.43Å; V852-A898 HydrophobicContact CG1-CB 3.8Å; S853-A898 WeakPolarHBondContact O-CA 3.4Å; Y854-A898 HydrophobicContact CD1-CB 4.01Å; Y854-A898 HydrophobicContact CE1-CB 4.06Å; A898-P907 CarbonylContact O-C 3.55Å; A898-P907 VanDerWaalsContact O-CA 3.26Å; A898-P907 WeakPolarHBondContact O-CA 3.41Å; A898-P907 WeakPolarHBondContact O-CB 3.4Å; A898-G908 PolarHBondContact N-O 3.37Å; A898-G908 PolarHBondContact O-N 2.85Å
899F92.5Very high89.6Confident52 Ų5255.3 Ų55.323%0.22830%0.301CS..EExtended strand (participates in β ladder)trans-134.2142.6-17764.8-82.8000109.4S853 R855 P907S853-F899 PolarHBondContact N-O 3.18Å; S853-F899 VanDerWaalsContact O-CD1 3.26Å; S853-F899 WeakPolarHBondContact O-CD1 3.48Å; S853-F899 PolarHBondContact O-N 3.45Å; R855-F899 HydrophobicContact CB-CE1 4.27Å; R855-F899 HydrophobicContact CG-CD1 4.23Å; R855-F899 HydrophobicContact CG-CE1 3.79Å; F899-P907 HydrophobicContact CB-CB 3.85Å
900D90.8Very high90.6Very high20 Ų2048.3 Ų48.311%0.10727%0.268CS..EExtended strand (participates in β ladder)trans-73.6137.7167.5-175.821.6000109.7P817 N851 Y902 G903P817-D900 HydrophobicContact CG-CB 4.44Å; N851-D900 WeakPolarHBondContact CA-OD1 3.32Å; N851-D900 PolarHBondContact N-OD1 3.41Å; D900-Y902 VanDerWaalsContact C-N 3.3Å; D900-Y902 PolarHBondContact O-N 3.07Å; D900-G903 WeakPolarHBondContact OD2-CA 3.45Å; D900-G903 PolarHBondContact OD2-N 3.26Å
901I87.3Confident91.1Very high67 Ų6750.5 Ų50.534%0.34428%0.281SS..SBendtrans-68.8-32.7-177.6-64.3165.5000111.2N851 F870N851-I901 HydrophobicContact CB-CD1 4.42Å; N851-I901 WeakPolarHBondContact O-CG1 3.38Å; N851-I901 PolarHBondContact O-N 2.77Å; F870-I901 HydrophobicContact CE1-CD1 3.92Å
902Y84.2Confident91.3Very high190 Ų19047.9 Ų47.975%0.74526%0.262SS*.SBendtrans-108.9-14-178.8-58.6-65.7000113.7D900D900-Y902 VanDerWaalsContact C-N 3.3Å; D900-Y902 PolarHBondContact O-N 3.07Å
903G82.9Confident91.4Very high25 Ų2548.3 Ų48.326%0.25827%0.266SS..  trans-66.4159.8174.400000114.5D813 D900D813-G903 VanDerWaalsContact OD1-CA 3.31Å; D813-G903 WeakPolarHBondContact OD1-CA 3.37Å; D900-G903 WeakPolarHBondContact OD2-CA 3.45Å; D900-G903 PolarHBondContact OD2-N 3.26Å
904T84.5Confident91.4Very high124 Ų12443.9 Ų43.976%0.76124%0.239SC*.  trans-111.2-17.317863.10000112.3D813D813-T904 VanDerWaalsContact OD2-CA 3.28Å; D813-T904 WeakPolarHBondContact OD2-CA 3.47Å; D813-T904 WeakPolarHBondContact OD2-CB 3.3Å; D813-T904 PolarHBondContact OD2-N 3.41Å; D813-T904 PolarHBondContact OD2-OG1 3.22Å
905M90.3Very high91.2Very high72 Ų7247 Ų4736%0.35526%0.255SS..SBendtrans-65.3151.9176.1-71.5-61.1-72.200112.8D813 D814 N815D813-M905 VanDerWaalsContact O-CG 3.23Å; D813-M905 WeakPolarHBondContact O-CG 3.44Å; D813-M905 PolarHBondContact OD2-N 3.09Å; D814-M905 WeakPolarHBondContact O-CE 3.38Å; N815-M905 WeakPolarHBondContact O-CB 3.5Å
906P90.5Very high90.8Very high79 Ų7944.8 Ų44.851%0.51324%0.244SC..PPolyproline II helixtrans-58151178.9-23.333.7000112.2S816S816-P906 WeakPolarHBondContact CB-O 3.31Å; S816-P906 PolarHBondContact OG-O 2.86Å
907P91.8Very high90.3Very high46 Ų4649.2 Ų49.230%0.29926%0.263SS..PPolyproline II helixtrans-71.2141.7176.832.1-36.7000111.3E897 A898 F899E897-P907 HydrophobicContact CB-CB 4.23Å; A898-P907 CarbonylContact O-C 3.55Å; A898-P907 VanDerWaalsContact O-CA 3.26Å; A898-P907 WeakPolarHBondContact O-CA 3.41Å; A898-P907 WeakPolarHBondContact O-CB 3.4Å; F899-P907 HydrophobicContact CB-CB 3.85Å
908G91.6Very high89.7Confident12 Ų1250.1 Ų50.112%0.12427%0.268CS..EExtended strand (participates in β ladder)trans-66.9146166.400000111P817 F819 E897 A898P817-G908 WeakPolarHBondContact O-CA 3.43Å; F819-G908 WeakPolarHBondContact CE2-O 3.3Å; E897-G908 CarbonylContact C-O 3.54Å; E897-G908 WeakPolarHBondContact CA-O 2.96Å; E897-G908 WeakPolarHBondContact CB-O 3.35Å; A898-G908 PolarHBondContact N-O 3.37Å; A898-G908 PolarHBondContact O-N 2.85Å
909I94.5Very high89.1Confident79 Ų7952.1 Ų52.141%0.40528%0.278SS..EExtended strand (participates in β ladder)trans-125.8138.6-177.7-61160.6000109.2L895 V896 E897L895-I909 HydrophobicContact CB-CG2 4.33Å; L895-I909 HydrophobicContact CD1-CG2 4.37Å; L895-I909 HydrophobicContact CD2-CG2 3.91Å; L895-I909 HydrophobicContact CG-CG2 4.44Å; V896-I909 WeakPolarHBondContact O-CA 3.21Å; E897-I909 HydrophobicContact CB-CG1 4.42Å
910A93.1Very high88.6Confident1 Ų150.3 Ų50.31%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-132.1148.3168.400000110.6F819 S822 Y824 V896F819-A910 HydrophobicContact CB-CB 4.13Å; F819-A910 HydrophobicContact CD1-CB 4.31Å; F819-A910 HydrophobicContact CD2-CB 3.54Å; F819-A910 HydrophobicContact CE2-CB 3.93Å; F819-A910 HydrophobicContact CG-CB 3.74Å; F819-A910 HydrophobicContact CZ-CB 4.48Å; S822-A910 VanDerWaalsContact O-CA 3.31Å; S822-A910 WeakPolarHBondContact O-CA 2.97Å; S822-A910 WeakPolarHBondContact O-CB 3.4Å; Y824-A910 HydrophobicContact CD2-CB 4.05Å; Y824-A910 HydrophobicContact CE2-CB 3.86Å; V896-A910 HydrophobicContact CG2-CB 3.99Å; V896-A910 WeakPolarHBondContact CG2-O 3.14Å; V896-A910 PolarHBondContact N-O 3.24Å; V896-A910 PolarHBondContact O-N 2.79Å
911T94.1Very high88Confident54 Ų5451.8 Ų51.833%0.33128%0.279SS..EExtended strand (participates in β ladder)trans-90.9129.1173.457.50000109.5S822 T823 Y824 L895S822-T911 PolarHBondContact O-N 3.06Å; T823-T911 CarbonylContact C-O 3.6Å; T823-T911 WeakPolarHBondContact CA-O 3.24Å; T823-T911 WeakPolarHBondContact CB-OG1 3.43Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.32Å; Y824-T911 PolarHBondContact N-O 3.13Å; L895-T911 HydrophobicContact CD2-CG2 3.4Å
912V94Very high87.8Confident0 Ų052.9 Ų52.90%028%0.279CS..EExtended strand (participates in β ladder)trans-108.3124.7172.2-177.30000108.5Y824 L839 L874 T893 F894 V896 V914Y824-V912 CarbonylContact O-C 3.58Å; Y824-V912 WeakPolarHBondContact O-CA 3.36Å; L839-V912 HydrophobicContact CD2-CG1 3.84Å; L839-V912 HydrophobicContact CD2-CG2 4.42Å; L874-V912 HydrophobicContact CD2-CG1 4.02Å; T893-V912 WeakPolarHBondContact CA-O 3.3Å; F894-V912 HydrophobicContact CD1-CB 4.5Å; F894-V912 HydrophobicContact CD2-CB 4.4Å; F894-V912 HydrophobicContact CE1-CB 4.15Å; F894-V912 HydrophobicContact CE1-CG1 4.04Å; F894-V912 HydrophobicContact CE2-CB 4.03Å; F894-V912 HydrophobicContact CE2-CG1 4.46Å; F894-V912 HydrophobicContact CE2-CG2 4.37Å; F894-V912 HydrophobicContact CZ-CB 3.91Å; F894-V912 HydrophobicContact CZ-CG1 3.87Å; F894-V912 PolarHBondContact N-O 2.88Å; F894-V912 PolarHBondContact O-N 3Å; V896-V912 HydrophobicContact CB-CG2 4.46Å; V896-V912 HydrophobicContact CG1-CG2 3.82Å; V896-V912 HydrophobicContact CG2-CG2 3.78Å; V912-V914 HydrophobicContact CG1-CG2 4.08Å
913T93.1Very high87.8Confident31 Ų3146.4 Ų46.419%0.1926%0.26CS..EExtended strand (participates in β ladder)trans-112.1112173.5-51.30000108.5Y824 T825 V826 I892 T893 I915Y824-T913 PolarHBondContact O-N 3.32Å; T825-T913 WeakPolarHBondContact CA-O 3.24Å; V826-T913 PolarHBondContact N-O 3.47Å; I892-T913 WeakPolarHBondContact O-CA 3.2Å; T893-T913 HydrophobicContact CG2-CG2 3.68Å; T913-I915 HydrophobicContact CG2-CG1 4.21Å
914V91.7Very high88.2Confident0 Ų045.2 Ų45.20%025%0.248CC..EExtended strand (participates in β ladder)trans-97.4111.4174.5-177.80000107.8V826 V828 F838 F865 L880 S891 I892 F894 V912V826-V914 HydrophobicContact CG1-CG2 4.07Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.7Å; F838-V914 HydrophobicContact CE2-CG2 3.87Å; F838-V914 HydrophobicContact CZ-CG2 4.15Å; F865-V914 HydrophobicContact CE1-CG1 4.38Å; F865-V914 HydrophobicContact CE1-CG2 4.21Å; F865-V914 HydrophobicContact CZ-CB 4.2Å; F865-V914 HydrophobicContact CZ-CG1 4.25Å; F865-V914 HydrophobicContact CZ-CG2 3.97Å; L880-V914 HydrophobicContact CD1-CG1 4.28Å; S891-V914 CarbonylContact C-O 3.59Å; S891-V914 VanDerWaalsContact CA-O 3.32Å; S891-V914 WeakPolarHBondContact CA-O 3.42Å; I892-V914 PolarHBondContact N-O 3.37Å; I892-V914 PolarHBondContact O-N 3.13Å; F894-V914 HydrophobicContact CE1-CG2 3.89Å; V912-V914 HydrophobicContact CG1-CG2 4.08Å
915I89.5Confident88.4Confident72 Ų7243.9 Ų43.937%0.36924%0.24SC..EExtended strand (participates in β ladder)trans-93.1118.5174.8-57.9174.6000107.2V826 V827 V828 T913V826-I915 PolarHBondContact O-N 3.04Å; V827-I915 CarbonylContact C-O 3.5Å; V827-I915 WeakPolarHBondContact CA-O 3.06Å; V827-I915 HydrophobicContact CG2-CB 4.33Å; V828-I915 PolarHBondContact N-O 2.91Å; T913-I915 HydrophobicContact CG2-CG1 4.21Å
916V87.9Confident88.5Confident3 Ų341.4 Ų41.42%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-81.3123.1174.8-171.70000108V828 E830 L880 Y882 F885 A890V828-V916 CarbonylContact O-C 3.59Å; V828-V916 VanDerWaalsContact O-CA 3.29Å; V828-V916 WeakPolarHBondContact O-CA 3.41Å; E830-V916 HydrophobicContact CB-CG1 3.87Å; L880-V916 HydrophobicContact CB-CG1 4.28Å; L880-V916 HydrophobicContact CB-CG2 4.2Å; L880-V916 HydrophobicContact CD1-CG2 3.71Å; Y882-V916 HydrophobicContact CD2-CB 4.41Å; Y882-V916 HydrophobicContact CD2-CG1 4.29Å; Y882-V916 WeakPolarHBondContact CD2-O 3.5Å; Y882-V916 WeakPolarHBondContact CE2-O 3.33Å; F885-V916 HydrophobicContact CE2-CB 4.38Å; F885-V916 HydrophobicContact CE2-CG2 3.87Å; F885-V916 HydrophobicContact CZ-CG2 3.86Å; A890-V916 HydrophobicContact CB-CB 3.98Å; A890-V916 PolarHBondContact O-N 3.41Å
917K84Confident88.4Confident92 Ų9241.3 Ų41.340%0.423%0.228SC..EExtended strand (participates in β ladder)trans-94.6120.7176.8176.9-176.7163.9-149.40108.9V827 V828 E829 E830 M919V827-K917 HydrophobicContact CG1-CB 3.68Å; V827-K917 HydrophobicContact CG1-CD 4.22Å; V827-K917 HydrophobicContact CG1-CG 4.47Å; V828-K917 PolarHBondContact O-N 3Å; E829-K917 HydrophobicContact CG-CB 4.44Å; E829-K917 HydrophobicContact CG-CD 4.05Å; E829-K917 IonicContact OE1-NZ 3.55Å; E829-K917 PolarHBondContact OE1-NZ 2.82Å; E830-K917 PolarHBondContact N-O 3.4Å; E830-K917 VanDerWaalsContact N-O 3.08Å; K917-M919 HydrophobicContact CD-CE 4.23Å; K917-M919 HydrophobicContact CG-CE 4.24Å
918D82.4Confident88.2Confident34 Ų3445.1 Ų45.118%0.18224%0.24CC..PPolyproline II helixtrans-51.5133.5169.6178.223000111.8E830 Y882E830-D918 WeakPolarHBondContact OE1-CA 3.21Å; Y882-D918 HydrophobicContact CD1-CB 3.72Å; Y882-D918 HydrophobicContact CD2-CB 3.82Å; Y882-D918 HydrophobicContact CE1-CB 3.77Å; Y882-D918 HydrophobicContact CE2-CB 3.86Å; Y882-D918 HydrophobicContact CG-CB 3.77Å
919M80.8Confident87.9Confident42 Ų4255.2 Ų55.221%0.20727%0.274CS..  trans-127.6135.3176.8-66-8086.400108.8E829 E830 K917 D921E829-M919 HydrophobicContact CB-CG 4.17Å; E829-M919 HydrophobicContact CB-SD 4.15Å; E829-M919 HydrophobicContact CG-CE 4.29Å; E829-M919 HydrophobicContact CG-SD 4Å; E830-M919 HydrophobicContact CG-CB 3.7Å; E830-M919 HydrophobicContact CG-CG 3.78Å; E830-M919 WeakPolarHBondContact OE1-CA 3.28Å; E830-M919 PolarHBondContact OE1-N 3.42Å; E830-M919 VanDerWaalsContact OE1-O 3.12Å; K917-M919 HydrophobicContact CD-CE 4.23Å; K917-M919 HydrophobicContact CG-CE 4.24Å; M919-D921 PolarHBondContact O-N 2.91Å
920N82Confident87.7Confident13 Ų1355.9 Ų55.97%0.0728%0.278CS..  trans-60.3103.9173.8178.412.3000111Y922 D954 A960 D1010 P1014 M1016N920-Y922 PolarHBondContact OD1-O 3.14Å; N920-D954 PolarHBondContact OD1-OD2 3.34Å; N920-A960 HydrophobicContact CB-CB 3.93Å; N920-D1010 PolarHBondContact ND2-OD1 3.47Å; N920-D1010 PolarHBondContact ND2-OD2 2.81Å; N920-P1014 PolarHBondContact ND2-O 2.61Å; N920-M1016 VanDerWaalsContact OD1-CE 3.31Å; N920-M1016 WeakPolarHBondContact OD1-CE 3.48Å
921D78Confident87.5Confident51 Ų5156.4 Ų56.427%0.27328%0.279SS..  trans-127.3-1179.583.3-20.5000114.3N831 M919 M1016N831-D921 PolarHBondContact ND2-OD2 3.37Å; M919-D921 PolarHBondContact O-N 2.91Å; D921-M1016 WeakPolarHBondContact O-CE 3.43Å
922Y81.9Confident87.1Confident91 Ų9160.9 Ų60.936%0.35729%0.294SS..  trans-103.4114.4166.7-66.7-84.5000113.1E883 N920 A953 D954E883-Y922 HydrophobicContact CG-CE2 3.94Å; N920-Y922 PolarHBondContact OD1-O 3.14Å; Y922-A953 HydrophobicContact CD1-CB 3.61Å; Y922-A953 HydrophobicContact CD2-CB 4.47Å; Y922-A953 HydrophobicContact CE1-CB 4.27Å; Y922-A953 HydrophobicContact CG-CB 3.72Å; Y922-D954 WeakPolarHBondContact CB-OD1 3.28Å; Y922-D954 WeakPolarHBondContact CD2-OD1 3.19Å; Y922-D954 PolarHBondContact N-OD1 3Å
923P85.7Confident86.5Confident53 Ų5361 Ų6134%0.34430%0.295SS..  trans-77.6147.2174.529.7-32.8000111.1V925 M1016P923-V925 VanDerWaalsContact O-CG2 3.29Å; P923-V925 WeakPolarHBondContact O-CG2 3.25Å; P923-V925 PolarHBondContact O-N 3.33Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.25Å; P923-M1016 HydrophobicContact CB-SD 4.39Å; P923-M1016 VanDerWaalsContact N-CE 3.33Å
924P90.2Very high86.1Confident0 Ų061 Ų610%029%0.294CS..  trans-57128.4175.4-23.728000111.6A950 E951 D952 V963 A1008 D1010 S1018P924-A950 HydrophobicContact CB-CB 4.48Å; P924-E951 CarbonylContact C-O 3.6Å; P924-D952 WeakPolarHBondContact CA-OD2 3.43Å; P924-D952 WeakPolarHBondContact CD-OD2 3.48Å; P924-D952 WeakPolarHBondContact CG-OD2 3.35Å; P924-D952 VanDerWaalsContact N-OD2 3.14Å; P924-V963 HydrophobicContact CB-CG1 4.13Å; P924-V963 HydrophobicContact CB-CG2 4.01Å; P924-V963 HydrophobicContact CG-CG2 4.34Å; P924-A1008 HydrophobicContact CB-CB 3.97Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.45Å; P924-D1010 HydrophobicContact CG-CB 4.05Å; P924-S1018 WeakPolarHBondContact O-CB 3.45Å; P924-S1018 PolarHBondContact O-OG 3.06Å
925V90.1Very high85.6Confident97 Ų9761.1 Ų61.159%0.58829%0.294SS*.EExtended strand (participates in β ladder)trans-110.5120.4-176.2-1750000111.7P923 A950 E951P923-V925 VanDerWaalsContact O-CG2 3.29Å; P923-V925 WeakPolarHBondContact O-CG2 3.25Å; P923-V925 PolarHBondContact O-N 3.33Å; V925-A950 CarbonylContact O-C 3.57Å; V925-A950 WeakPolarHBondContact O-CA 3.45Å; V925-A950 WeakPolarHBondContact O-CB 3.27Å; V925-E951 PolarHBondContact N-O 3.32Å; V925-E951 PolarHBondContact O-N 2.84Å
926F92.1Very high85Confident20 Ų2058.2 Ų58.29%0.08828%0.281CS..EExtended strand (participates in β ladder)trans-67.7133.6173.2-73.6-83.2000112.7K928 Y931 V948 Y949 A950 Y965 V1006 A1008 S1018 A1020F926-K928 PolarHBondContact O-N 2.79Å; F926-Y931 HydrophobicContact CB-CE2 4.38Å; F926-Y931 AromaticContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CG-CE2 4.49Å; F926-V948 HydrophobicContact CD1-CB 4.26Å; F926-V948 HydrophobicContact CE1-CB 3.9Å; F926-V948 HydrophobicContact CE1-CG2 3.95Å; F926-Y949 WeakPolarHBondContact CA-O 3.12Å; F926-A950 HydrophobicContact CD1-CB 3.88Å; F926-A950 HydrophobicContact CD2-CB 4.47Å; F926-A950 HydrophobicContact CE1-CB 4.19Å; F926-A950 HydrophobicContact CG-CB 4.04Å; F926-Y965 AromaticContact CE1-CD1 3.96Å; F926-Y965 HydrophobicContact CE1-CD1 3.96Å; F926-Y965 AromaticContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CZ-CD1 4.14Å; F926-Y965 HydrophobicContact CZ-CE1 4.22Å; F926-V1006 HydrophobicContact CZ-CG1 4.19Å; F926-A1008 HydrophobicContact CD2-CB 4.28Å; F926-A1008 HydrophobicContact CE1-CB 4.09Å; F926-A1008 HydrophobicContact CE2-CB 3.47Å; F926-A1008 VanDerWaalsContact CE2-CB 3.47Å; F926-A1008 HydrophobicContact CZ-CB 3.37Å; F926-S1018 VanDerWaalsContact CD2-OG 3.31Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.42Å; F926-A1020 HydrophobicContact CB-CB 4.05Å; F926-A1020 HydrophobicContact CD1-CB 3.91Å; F926-A1020 HydrophobicContact CD2-CB 3.58Å; F926-A1020 HydrophobicContact CE1-CB 4.2Å; F926-A1020 HydrophobicContact CE2-CB 3.9Å; F926-A1020 HydrophobicContact CG-CB 3.57Å; F926-A1020 HydrophobicContact CZ-CB 4.18Å
927S87.1Confident84.5Confident77 Ų7758.8 Ų58.854%0.53829%0.285SS..SBendtrans-59.1-22174.962.40000114.3Y931 Y949S927-Y931 PolarHBondContact OG-OH 2.9Å; S927-Y949 PolarHBondContact N-O 3.15Å; S927-Y949 PolarHBondContact OG-O 3.36Å
928K87.6Confident84.1Confident126 Ų12659.3 Ų59.355%0.54829%0.292SS..  trans-139.2139.5176.6-60174.7-173.3167.80110.4F926 Y931F926-K928 PolarHBondContact O-N 2.79Å; K928-Y931 HydrophobicContact CB-CD2 4.37Å; K928-Y931 HydrophobicContact CB-CE1 4.14Å; K928-Y931 HydrophobicContact CB-CE2 3.95Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.07Å; K928-Y931 HydrophobicContact CG-CE1 4.39Å; K928-Y931 WeakPolarHBondContact O-CE2 3.19Å
929R86.1Confident83.9Confident224 Ų22458.1 Ų58.185%0.84529%0.287SS*.SBendtrans-71.4-30.7174.6-58.2-171.280.3-167.27113.3T1021R929-T1021 PolarHBondContact O-N 3.21Å
930I89.6Confident83.8Confident92 Ų9260.6 Ų60.647%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-133.1121.2179.6-58.3175.2000109.3T1021 R1023I930-T1021 CarbonylContact C-O 3.56Å; I930-T1021 VanDerWaalsContact CA-O 3.28Å; I930-T1021 WeakPolarHBondContact CA-O 2.95Å; I930-R1023 HydrophobicContact CG2-CG 4.07Å
931Y88.8Confident83.7Confident12 Ų1266.6 Ų66.65%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-97.3148.9169.7-67.6-96.9000109.9F926 S927 K928 V948 Y949 A1020 T1021 V1022 R1023F926-Y931 HydrophobicContact CB-CE2 4.38Å; F926-Y931 AromaticContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CG-CE2 4.49Å; S927-Y931 PolarHBondContact OG-OH 2.9Å; K928-Y931 HydrophobicContact CB-CD2 4.37Å; K928-Y931 HydrophobicContact CB-CE1 4.14Å; K928-Y931 HydrophobicContact CB-CE2 3.95Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.07Å; K928-Y931 HydrophobicContact CG-CE1 4.39Å; K928-Y931 WeakPolarHBondContact O-CE2 3.19Å; Y931-V948 HydrophobicContact CD1-CG1 4.1Å; Y931-V948 HydrophobicContact CD2-CB 4.42Å; Y931-V948 HydrophobicContact CD2-CG1 3.73Å; Y931-V948 HydrophobicContact CE1-CB 4.35Å; Y931-V948 HydrophobicContact CE1-CG1 4.31Å; Y931-V948 HydrophobicContact CE2-CB 4.13Å; Y931-V948 HydrophobicContact CE2-CG1 3.95Å; Y931-V948 HydrophobicContact CG-CG1 3.8Å; Y931-Y949 PolarHBondContact OH-N 2.64Å; Y931-Y949 VanDerWaalsContact OH-N 3.17Å; Y931-Y949 PolarHBondContact OH-O 3.38Å; Y931-A1020 HydrophobicContact CD2-CB 4.22Å; Y931-A1020 HydrophobicContact CE2-CB 4.08Å; Y931-T1021 PolarHBondContact N-O 3.1Å; Y931-V1022 CarbonylContact O-C 3.55Å; Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; Y931-R1023 PolarHBondContact O-N 2.92Å
932K85.6Confident83.6Confident149 Ų14966.4 Ų66.465%0.64834%0.339SS*.EExtended strand (participates in β ladder)trans-116.3143.2175.6-64.9-179.7-176.2175.40108.9T946 R1023 L1119K932-T946 PolarHBondContact O-OG1 2.67Å; K932-R1023 WeakPolarHBondContact CA-O 3.43Å; K932-L1119 VanDerWaalsContact O-CD2 3.27Å; K932-L1119 WeakPolarHBondContact O-CD2 3.39Å
933G83.3Confident83.5Confident2 Ų263.1 Ų63.12%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-142.6153178.400000110.2R1023 I1024 L1025G933-R1023 PolarHBondContact N-O 3.36Å; G933-I1024 WeakPolarHBondContact O-CA 3.35Å; G933-L1025 PolarHBondContact O-N 2.82Å
934M82.9Confident83.4Confident31 Ų3164 Ų6415%0.15333%0.334CS..EExtended strand (participates in β ladder)trans-128.2143.3173.6-77.1173145.300109L1025 L1027 V1114 L1119 V1121M934-L1025 WeakPolarHBondContact CA-O 3.45Å; M934-L1025 HydrophobicContact CE-CD2 3.85Å; M934-L1025 HydrophobicContact CG-CB 4.39Å; M934-L1027 HydrophobicContact CB-CD1 4.08Å; M934-L1027 HydrophobicContact CB-CG 4.28Å; M934-L1027 HydrophobicContact CE-CD2 3.64Å; M934-L1027 HydrophobicContact CG-CD2 4.41Å; M934-L1027 HydrophobicContact CG-CG 4.46Å; M934-L1027 HydrophobicContact SD-CD1 4.42Å; M934-L1027 HydrophobicContact SD-CD2 4.08Å; M934-V1114 HydrophobicContact SD-CG2 4.04Å; M934-L1119 HydrophobicContact CG-CD1 3.96Å; M934-L1119 HydrophobicContact SD-CD1 3.73Å; M934-V1121 HydrophobicContact CB-CG2 3.9Å; M934-V1121 HydrophobicContact SD-CG2 4.43Å
935V82.3Confident83Confident2 Ų264.3 Ų64.31%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-141.8145.9-179.569.80000110.1A939 I945 F979 T990 L994 I1024 L1025 V1026 L1027V935-A939 HydrophobicContact CG2-CB 3.48Å; V935-A939 VanDerWaalsContact CG2-CB 3.48Å; V935-I945 HydrophobicContact CB-CD1 4.41Å; V935-I945 HydrophobicContact CB-CG1 4.36Å; V935-I945 HydrophobicContact CG2-CD1 4.41Å; V935-I945 HydrophobicContact CG2-CG1 4.32Å; V935-F979 HydrophobicContact CG1-CE1 4.41Å; V935-F979 HydrophobicContact CG1-CZ 4.44Å; V935-T990 HydrophobicContact CG2-CG2 3.97Å; V935-L994 HydrophobicContact CG1-CD2 3.7Å; V935-L994 HydrophobicContact CG2-CD1 4.4Å; V935-L994 HydrophobicContact CG2-CD2 4.26Å; V935-I1024 HydrophobicContact CB-CG2 4.22Å; V935-I1024 HydrophobicContact CG1-CG2 3.69Å; V935-L1025 PolarHBondContact N-O 2.88Å; V935-V1026 HydrophobicContact CG1-CG2 3.92Å; V935-V1026 WeakPolarHBondContact O-CA 3.32Å; V935-L1027 PolarHBondContact O-N 2.65Å
936A76.1Confident82.8Confident11 Ų1160.9 Ų60.99%0.09132%0.316CS..  trans-72.5146.5173.200000110.5D938 A939 I1032A936-D938 PolarHBondContact O-N 2.66Å; A936-A939 HydrophobicContact CB-CB 4.37Å; A936-A939 VanDerWaalsContact O-CB 3.3Å; A936-A939 WeakPolarHBondContact O-CB 3.42Å; A936-A939 PolarHBondContact O-N 3.24Å; A936-A939 VanDerWaalsContact O-N 3.13Å; A936-I1032 HydrophobicContact CB-CD1 3.66Å
937P78.4Confident82.6Confident15 Ų1563.8 Ų63.810%0.09734%0.335CS..THydrogen-bonded Turntrans-65.2-19.6-179.323.2-30.2000113.5L994 N995 E996 V1026 L1027 P1029P937-L994 CarbonylContact O-C 3.51Å; P937-L994 WeakPolarHBondContact O-CB 3.19Å; P937-L994 VanDerWaalsContact O-O 3.05Å; P937-N995 WeakPolarHBondContact O-CA 3.32Å; P937-N995 PolarHBondContact O-N 2.77Å; P937-E996 WeakPolarHBondContact CB-O 3.29Å; P937-E996 PolarHBondContact O-N 2.94Å; P937-V1026 HydrophobicContact CB-CG1 3.61Å; P937-V1026 HydrophobicContact CG-CG1 4.37Å; P937-L1027 VanDerWaalsContact CD-O 3.32Å; P937-L1027 WeakPolarHBondContact CD-O 3.41Å; P937-P1029 HydrophobicContact CG-CG 3.86Å
938D74.9Confident82.7Confident104 Ų10460.2 Ų60.256%0.55631%0.31SS*.THydrogen-bonded Turntrans-111.722.3176.962.3-23.5000113A936 V940A936-D938 PolarHBondContact O-N 2.66Å; D938-V940 PolarHBondContact O-N 3.08Å
939A77.5Confident82.9Confident8 Ų860.1 Ų60.17%0.06631%0.307CS..PPolyproline II helixtrans-60.1129.7-179.600000111.9V935 A936 T943 T990 N993 L994V935-A939 HydrophobicContact CG2-CB 3.48Å; V935-A939 VanDerWaalsContact CG2-CB 3.48Å; A936-A939 HydrophobicContact CB-CB 4.37Å; A936-A939 VanDerWaalsContact O-CB 3.3Å; A936-A939 WeakPolarHBondContact O-CB 3.42Å; A936-A939 PolarHBondContact O-N 3.24Å; A936-A939 VanDerWaalsContact O-N 3.13Å; A939-T943 HydrophobicContact CB-CG2 4.28Å; A939-T990 HydrophobicContact CB-CG2 4.42Å; A939-N993 CarbonylContact O-C 3.14Å; A939-N993 WeakPolarHBondContact O-CA 3.35Å; A939-L994 HydrophobicContact CB-CB 4.43Å; A939-L994 PolarHBondContact O-N 2.74Å
940V79.3Confident83.1Confident94 Ų9449.7 Ų49.757%0.5727%0.269SS*.PPolyproline II helixtrans-70.4152.8177.6-173.50000109.9D938 G942 T943 T990 N993D938-V940 PolarHBondContact O-N 3.08Å; V940-G942 PolarHBondContact O-N 2.76Å; V940-T943 WeakPolarHBondContact O-CB 3.46Å; V940-T943 PolarHBondContact O-N 3.44Å; V940-T943 PolarHBondContact O-OG1 2.93Å; V940-T990 PolarHBondContact O-OG1 3.46Å; V940-N993 WeakPolarHBondContact CG1-OD1 3.36Å
941K80Confident83Confident139 Ų13951 Ų5160%0.60427%0.273SS*.THydrogen-bonded Turntrans-48.9134.8170.4174.9176.1-179177.90110.9T990 R991 N993K941-T990 WeakPolarHBondContact CA-OG1 3.3Å; K941-R991 WeakPolarHBondContact CD-O 3.45Å; K941-R991 WeakPolarHBondContact CE-O 3.4Å; K941-R991 VanDerWaalsContact CG-O 3.3Å; K941-R991 WeakPolarHBondContact CG-O 3.44Å; K941-N993 WeakPolarHBondContact CB-OD1 3.38Å; K941-N993 PolarHBondContact N-OD1 3.15Å
942G76.1Confident83Confident47 Ų4751.8 Ų51.849%0.48528%0.278SS..THydrogen-bonded Turntrans86.78.5-179.200000114.2V940 P944 T990V940-G942 PolarHBondContact O-N 2.76Å; G942-P944 WeakPolarHBondContact O-CD 3.47Å; G942-T990 PolarHBondContact N-O 3.05Å; G942-T990 PolarHBondContact N-OG1 3.36Å
943T79.1Confident82.9Confident22 Ų2248 Ų4814%0.13527%0.274CS..  trans-69.6124.7176.3-620000109.6A939 V940 V989 T990 P1122A939-T943 HydrophobicContact CB-CG2 4.28Å; V940-T943 WeakPolarHBondContact O-CB 3.46Å; V940-T943 PolarHBondContact O-N 3.44Å; V940-T943 PolarHBondContact O-OG1 2.93Å; T943-V989 WeakPolarHBondContact O-CA 3.46Å; T943-T990 PolarHBondContact N-OG1 3.06Å; T943-T990 PolarHBondContact O-N 2.85Å; T943-T990 VanDerWaalsContact O-N 3.09Å; T943-P1122 HydrophobicContact CG2-CG 3.86Å
944P83.8Confident82.8Confident71 Ų7148.1 Ų48.146%0.46127%0.274SS..EExtended strand (participates in β ladder)trans-76.2134.5177.531.6-34.4000110.8G942 R987G942-P944 WeakPolarHBondContact O-CD 3.47Å; P944-R987 HydrophobicContact CB-CG 4.24Å
945I83.1Confident82.5Confident7 Ų747.4 Ų47.44%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-107.3-54.8-174.8-60.1173.7000110.4V935 F979 V988 T990 I1024V935-I945 HydrophobicContact CB-CD1 4.41Å; V935-I945 HydrophobicContact CB-CG1 4.36Å; V935-I945 HydrophobicContact CG2-CD1 4.41Å; V935-I945 HydrophobicContact CG2-CG1 4.32Å; I945-F979 HydrophobicContact CD1-CD1 3.24Å; I945-F979 HydrophobicContact CD1-CE1 3.32Å; I945-F979 HydrophobicContact CD1-CG 4.35Å; I945-F979 HydrophobicContact CD1-CZ 4.48Å; I945-V988 HydrophobicContact CD1-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.33Å; I945-T990 HydrophobicContact CD1-CG2 3.96Å; I945-T990 HydrophobicContact CG1-CG2 4.38Å; I945-I1024 HydrophobicContact CD1-CD1 4.02Å; I945-I1024 HydrophobicContact CD1-CG2 4.18Å; I945-I1024 HydrophobicContact CG2-CG1 4.22Å; I945-I1024 HydrophobicContact CG2-CG2 3.99Å
946T85.6Confident82.3Confident26 Ų2653.2 Ų53.216%0.1631%0.31CS..EExtended strand (participates in β ladder)trans-158.9169.8-179.2-161.70000108.9K932 V988 V1022K932-T946 PolarHBondContact O-OG1 2.67Å; T946-V988 HydrophobicContact CG2-CB 4.15Å; T946-V988 HydrophobicContact CG2-CG2 4.05Å; T946-V988 PolarHBondContact O-N 2.79Å; T946-V1022 HydrophobicContact CG2-CG1 3.64Å
947T86.8Confident82.4Confident81 Ų8156.6 Ų56.650%0.49735%0.346SS..EExtended strand (participates in β ladder)trans-122.7128.2176.3-48.60000108.2G986T947-G986 WeakPolarHBondContact CA-O 3.2Å
948V89.7Confident82.6Confident1 Ų158.5 Ų58.51%0.00635%0.354CS..  trans-93.8148.7172.1-61.80000109.4F926 Y931 Y965 V981 G986 V988 V1006 V1022F926-V948 HydrophobicContact CD1-CB 4.26Å; F926-V948 HydrophobicContact CE1-CB 3.9Å; F926-V948 HydrophobicContact CE1-CG2 3.95Å; Y931-V948 HydrophobicContact CD1-CG1 4.1Å; Y931-V948 HydrophobicContact CD2-CB 4.42Å; Y931-V948 HydrophobicContact CD2-CG1 3.73Å; Y931-V948 HydrophobicContact CE1-CB 4.35Å; Y931-V948 HydrophobicContact CE1-CG1 4.31Å; Y931-V948 HydrophobicContact CE2-CB 4.13Å; Y931-V948 HydrophobicContact CE2-CG1 3.95Å; Y931-V948 HydrophobicContact CG-CG1 3.8Å; V948-Y965 HydrophobicContact CG2-CD1 3.74Å; V948-Y965 HydrophobicContact CG2-CE1 3.9Å; V948-Y965 HydrophobicContact CG2-CG 4.33Å; V948-V981 HydrophobicContact CG2-CG2 4.31Å; V948-G986 VanDerWaalsContact CG2-O 3.31Å; V948-G986 WeakPolarHBondContact CG2-O 3.29Å; V948-G986 PolarHBondContact N-O 2.74Å; V948-V988 HydrophobicContact CG1-CG2 4.21Å; V948-V1006 HydrophobicContact CG2-CG1 4.06Å; V948-V1022 HydrophobicContact CG1-CG2 3.8Å
949Y91.5Very high83Confident125 Ų12557.5 Ų57.549%0.4935%0.353SS..  trans-139.4126.3-179.8-175-110.4000110F926 S927 Y931 E951F926-Y949 WeakPolarHBondContact CA-O 3.12Å; S927-Y949 PolarHBondContact N-O 3.15Å; S927-Y949 PolarHBondContact OG-O 3.36Å; Y931-Y949 PolarHBondContact OH-N 2.64Å; Y931-Y949 VanDerWaalsContact OH-N 3.17Å; Y931-Y949 PolarHBondContact OH-O 3.38Å; Y949-E951 HydrophobicContact CD1-CG 4.39Å; Y949-E951 HydrophobicContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-OE1 3.32Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.43Å; Y949-E951 PolarHBondContact OH-OE1 3.31Å
950A90.5Very high83.1Confident4 Ų457.6 Ų57.63%0.03335%0.354CS..EExtended strand (participates in β ladder)trans-127.8145.8173.300000109.8P924 V925 F926 V963 Y965 A1008P924-A950 HydrophobicContact CB-CB 4.48Å; V925-A950 CarbonylContact O-C 3.57Å; V925-A950 WeakPolarHBondContact O-CA 3.45Å; V925-A950 WeakPolarHBondContact O-CB 3.27Å; F926-A950 HydrophobicContact CD1-CB 3.88Å; F926-A950 HydrophobicContact CD2-CB 4.47Å; F926-A950 HydrophobicContact CE1-CB 4.19Å; F926-A950 HydrophobicContact CG-CB 4.04Å; A950-V963 HydrophobicContact CB-CG1 4.08Å; A950-Y965 HydrophobicContact CB-CE1 4.01Å; A950-Y965 PolarHBondContact N-OH 2.88Å; A950-Y965 PolarHBondContact O-OH 2.85Å; A950-A1008 HydrophobicContact CB-CB 3.79Å
951E88.2Confident83.4Confident121 Ų12154.3 Ų54.357%0.56534%0.335SS*.EExtended strand (participates in β ladder)trans-117141.8176.5-70.8176.716400108.7P924 V925 Y949P924-E951 CarbonylContact C-O 3.6Å; V925-E951 PolarHBondContact N-O 3.32Å; V925-E951 PolarHBondContact O-N 2.84Å; Y949-E951 HydrophobicContact CD1-CG 4.39Å; Y949-E951 HydrophobicContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-OE1 3.32Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.43Å; Y949-E951 PolarHBondContact OH-OE1 3.31Å
952D88Confident83.7Confident27 Ų2753.5 Ų53.514%0.14433%0.328CS..  trans-103.6143.1170.9-153.4-64.8000109.2P924 D954 V963P924-D952 WeakPolarHBondContact CA-OD2 3.43Å; P924-D952 WeakPolarHBondContact CD-OD2 3.48Å; P924-D952 WeakPolarHBondContact CG-OD2 3.35Å; P924-D952 VanDerWaalsContact N-OD2 3.14Å; D952-D954 WeakPolarHBondContact OD1-CB 3.2Å; D952-D954 PolarHBondContact OD1-N 3.4Å; D952-V963 HydrophobicContact CB-CG2 3.82Å
953A83.6Confident84.4Confident70 Ų7052.6 Ų52.658%0.57931%0.313SS*.  trans-96.5-6.5-177.600000113Y922Y922-A953 HydrophobicContact CD1-CB 3.61Å; Y922-A953 HydrophobicContact CD2-CB 4.47Å; Y922-A953 HydrophobicContact CE1-CB 4.27Å; Y922-A953 HydrophobicContact CG-CB 3.72Å
954D81.6Confident85Confident4 Ų454.3 Ų54.32%0.02132%0.317CS..SBendtrans-59.2155.7169.9-70-29.6000111.4N920 Y922 D952 A960 S961N920-D954 PolarHBondContact OD1-OD2 3.34Å; Y922-D954 WeakPolarHBondContact CB-OD1 3.28Å; Y922-D954 WeakPolarHBondContact CD2-OD1 3.19Å; Y922-D954 PolarHBondContact N-OD1 3Å; D952-D954 WeakPolarHBondContact OD1-CB 3.2Å; D952-D954 PolarHBondContact OD1-N 3.4Å; D954-A960 HydrophobicContact CB-CB 4.04Å; D954-A960 VanDerWaalsContact OD2-C 3.29Å; D954-A960 WeakPolarHBondContact OD2-CB 3.34Å; D954-S961 WeakPolarHBondContact O-CB 3.3Å
955P77.3Confident85.5Confident17 Ų1751.6 Ų51.611%0.1130%0.298CS..PPolyproline II helixtrans-54.7132.1-177.1-24.732.5000113.6G957 M958 S961P955-G957 PolarHBondContact O-N 2.86Å; P955-M958 HydrophobicContact CB-CE 3.6Å; P955-M958 HydrophobicContact CB-CG 4.46Å; P955-M958 HydrophobicContact CB-SD 3.85Å; P955-M958 HydrophobicContact CG-CE 4.06Å; P955-M958 HydrophobicContact CG-SD 4.11Å; P955-M958 WeakPolarHBondContact O-CG 3.4Å; P955-M958 PolarHBondContact O-N 3.38Å; P955-S961 VanDerWaalsContact O-CB 3.28Å; P955-S961 WeakPolarHBondContact O-CB 3.39Å; P955-S961 PolarHBondContact O-OG 3.12Å
956P77.8Confident85.9Confident124 Ų12456.5 Ų56.581%0.80532%0.316SS*.THydrogen-bonded Turntrans-66.1134.7-170.725.4-33.9000112.4
957G78.4Confident86.1Confident81 Ų8155.8 Ų55.884%0.83531%0.312SS*.THydrogen-bonded Turntrans100.3-4.917700000114.2P955 S961P955-G957 PolarHBondContact O-N 2.86Å; G957-S961 PolarHBondContact N-OG 3.07Å; G957-S961 VanDerWaalsContact N-OG 3.14Å
958M81.1Confident86Confident55 Ų5553.3 Ų53.327%0.27130%0.295SS..SBendtrans-89.5155.6174.3-55.3-172-176.300111.3P955 A960 S961 R962P955-M958 HydrophobicContact CB-CE 3.6Å; P955-M958 HydrophobicContact CB-CG 4.46Å; P955-M958 HydrophobicContact CB-SD 3.85Å; P955-M958 HydrophobicContact CG-CE 4.06Å; P955-M958 HydrophobicContact CG-SD 4.11Å; P955-M958 WeakPolarHBondContact O-CG 3.4Å; P955-M958 PolarHBondContact O-N 3.38Å; M958-A960 PolarHBondContact O-N 2.93Å; M958-S961 PolarHBondContact N-OG 3Å; M958-S961 PolarHBondContact O-N 2.92Å; M958-S961 VanDerWaalsContact O-N 3.13Å; M958-S961 PolarHBondContact O-OG 3.27Å; M958-R962 PolarHBondContact O-N 2.97Å
959P83.6Confident85.5Confident84 Ų8458.1 Ų58.155%0.54532%0.321SS..SBendtrans-54.7-33.3174-25.534.8000113.6R962 D1011P959-R962 WeakPolarHBondContact O-CB 3.48Å; P959-R962 PolarHBondContact O-N 2.67Å; P959-D1011 HydrophobicContact CB-CB 3.98Å; P959-D1011 WeakPolarHBondContact CB-O 3.32Å; P959-D1011 CarbonylContact O-C 3.45Å; P959-D1011 WeakPolarHBondContact O-CA 3.29Å; P959-D1011 WeakPolarHBondContact O-CB 3.34Å; P959-D1011 PolarHBondContact O-N 3.4Å
960A80.9Confident84.7Confident9 Ų958 Ų587%0.07433%0.332CS..THydrogen-bonded Turntrans-64.4-42.2177.300000111.8N920 D954 M958 R962 D1010N920-A960 HydrophobicContact CB-CB 3.93Å; D954-A960 HydrophobicContact CB-CB 4.04Å; D954-A960 VanDerWaalsContact OD2-C 3.29Å; D954-A960 WeakPolarHBondContact OD2-CB 3.34Å; M958-A960 PolarHBondContact O-N 2.93Å; A960-R962 PolarHBondContact O-N 2.72Å; A960-R962 VanDerWaalsContact O-N 3.15Å; A960-D1010 WeakPolarHBondContact O-CB 3.42Å
961S84.1Confident83.9Confident25 Ų2564.3 Ų64.318%0.17536%0.361CS..THydrogen-bonded Turntrans-72-7.4173.572.70000115.8D954 P955 G957 M958 V963D954-S961 WeakPolarHBondContact O-CB 3.3Å; P955-S961 VanDerWaalsContact O-CB 3.28Å; P955-S961 WeakPolarHBondContact O-CB 3.39Å; P955-S961 PolarHBondContact O-OG 3.12Å; G957-S961 PolarHBondContact N-OG 3.07Å; G957-S961 VanDerWaalsContact N-OG 3.14Å; M958-S961 PolarHBondContact N-OG 3Å; M958-S961 PolarHBondContact O-N 2.92Å; M958-S961 VanDerWaalsContact O-N 3.13Å; M958-S961 PolarHBondContact O-OG 3.27Å; S961-V963 PolarHBondContact O-N 3.06Å
962R88Confident83.3Confident123 Ų12362.1 Ų62.146%0.46435%0.35SS..  trans-88.297.5-170.8-173-175.6173.3-159-0.2111.8M958 P959 A960 D984 D1010 D1011M958-R962 PolarHBondContact O-N 2.97Å; P959-R962 WeakPolarHBondContact O-CB 3.48Å; P959-R962 PolarHBondContact O-N 2.67Å; A960-R962 PolarHBondContact O-N 2.72Å; A960-R962 VanDerWaalsContact O-N 3.15Å; R962-D984 IonicContact NH2-OD1 3.03Å; R962-D984 PolarHBondContact NH2-OD1 2.98Å; R962-D1010 WeakPolarHBondContact O-CA 3.38Å; R962-D1011 IonicContact CZ-OD2 3.95Å; R962-D1011 IonicContact NE-OD2 3.86Å; R962-D1011 IonicContact NH1-OD2 2.72Å; R962-D1011 PolarHBondContact NH1-OD2 2.8Å
963V89.9Confident82.8Confident27 Ų2764.7 Ų64.716%0.16437%0.369CS..  trans-74.9127.7179.2-173.20000113P924 A950 D952 S961 Y965 A1008P924-V963 HydrophobicContact CB-CG1 4.13Å; P924-V963 HydrophobicContact CB-CG2 4.01Å; P924-V963 HydrophobicContact CG-CG2 4.34Å; A950-V963 HydrophobicContact CB-CG1 4.08Å; D952-V963 HydrophobicContact CB-CG2 3.82Å; S961-V963 PolarHBondContact O-N 3.06Å; V963-Y965 HydrophobicContact CG1-CE1 4.09Å; V963-Y965 HydrophobicContact CG1-CE2 4.2Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å
964R91.7Very high82.6Confident59 Ų5967.8 Ų67.822%0.22337%0.366CS..EExtended strand (participates in β ladder)trans-124.6156.3168.1-63.8-164.9-68.8153.54.7111.5E983 A1008 F1009 D1011R964-E983 CarbonylContact C-O 3.43Å; R964-E983 WeakPolarHBondContact CA-O 3.49Å; R964-E983 HydrophobicContact CB-CG 4.07Å; R964-E983 HydrophobicContact CG-CG 4.43Å; R964-E983 IonicContact CZ-OE1 3.44Å; R964-E983 IonicContact NE-OE1 3Å; R964-E983 IonicContact NH1-OE1 3.76Å; R964-E983 PolarHBondContact NH1-OE1 2.82Å; R964-A1008 CarbonylContact O-C 3.16Å; R964-A1008 WeakPolarHBondContact O-CA 3.23Å; R964-F1009 HydrophobicContact CB-CE1 4Å; R964-F1009 HydrophobicContact CB-CE2 4.02Å; R964-F1009 HydrophobicContact CB-CZ 3.7Å; R964-F1009 PolarHBondContact N-O 2.91Å; R964-F1009 WeakPolarHBondContact O-CD1 3.33Å; R964-F1009 PolarHBondContact O-N 3.09Å; R964-D1011 IonicContact CZ-OD1 2.65Å; R964-D1011 IonicContact CZ-OD2 3.12Å; R964-D1011 IonicContact NE-OD1 3Å; R964-D1011 PolarHBondContact NE-OD1 3.39Å; R964-D1011 IonicContact NE-OD2 3.8Å; R964-D1011 PolarHBondContact NE-OD2 3.28Å; R964-D1011 IonicContact NH2-OD1 2.74Å; R964-D1011 PolarHBondContact NH2-OD1 2.95Å; R964-D1011 IonicContact NH2-OD2 2.79Å
965Y93.6Very high82.7Confident14 Ų1468.3 Ų68.36%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-117.9140.3-175.1-55.6-85.1000111.9F926 V948 A950 V963 E983 G986 V1006 V1007 A1008F926-Y965 AromaticContact CE1-CD1 3.96Å; F926-Y965 HydrophobicContact CE1-CD1 3.96Å; F926-Y965 AromaticContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CZ-CD1 4.14Å; F926-Y965 HydrophobicContact CZ-CE1 4.22Å; V948-Y965 HydrophobicContact CG2-CD1 3.74Å; V948-Y965 HydrophobicContact CG2-CE1 3.9Å; V948-Y965 HydrophobicContact CG2-CG 4.33Å; A950-Y965 HydrophobicContact CB-CE1 4.01Å; A950-Y965 PolarHBondContact N-OH 2.88Å; A950-Y965 PolarHBondContact O-OH 2.85Å; V963-Y965 HydrophobicContact CG1-CE1 4.09Å; V963-Y965 HydrophobicContact CG1-CE2 4.2Å; Y965-E983 WeakPolarHBondContact CD2-O 3.49Å; Y965-E983 PolarHBondContact N-O 2.97Å; Y965-E983 WeakPolarHBondContact O-CA 3.03Å; Y965-G986 VanDerWaalsContact CD2-CA 3.43Å; Y965-V1006 HydrophobicContact CD1-CG1 4.32Å; Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; Y965-A1008 HydrophobicContact CD1-CB 4.02Å; Y965-A1008 HydrophobicContact CE1-CB 3.98Å
966R91.5Very high83Confident109 Ų10967.7 Ų67.741%0.41137%0.366SS..EExtended strand (participates in β ladder)trans-142.1159169.664.4-174.2177.682-0.5110.9V1007 F1009R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 3.22Å; R966-V1007 PolarHBondContact O-N 3.11Å; R966-F1009 HydrophobicContact CB-CD1 4.45Å; R966-F1009 HydrophobicContact CB-CE1 3.8Å; R966-F1009 HydrophobicContact CG-CD1 3.76Å; R966-F1009 HydrophobicContact CG-CE1 3.57Å
967V89.8Confident83.2Confident12 Ų1264.7 Ų64.77%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-85141.3171.3-1780000109.6D969 A976 V981 L1004V967-D969 PolarHBondContact O-N 3.13Å; V967-D969 VanDerWaalsContact O-N 3.16Å; V967-A976 HydrophobicContact CG1-CB 3.52Å; V967-V981 HydrophobicContact CG2-CB 4.25Å; V967-V981 HydrophobicContact CG2-CG1 3.92Å; V967-L1004 HydrophobicContact CG1-CD1 3.42Å; V967-L1004 VanDerWaalsContact CG1-CD1 3.42Å; V967-L1004 HydrophobicContact CG1-CG 4.09Å; V967-L1004 HydrophobicContact CG2-CD1 4.34Å; V967-L1004 HydrophobicContact CG2-CD2 4.38Å
968D85.2Confident83.5Confident29 Ų2961.2 Ų61.216%0.15531%0.31CS..  trans-77.493.1166.6-171.1-15.8000109.8V970 Q971 V1005 V1007D968-V970 VanDerWaalsContact C-N 3.28Å; D968-V970 PolarHBondContact OD1-N 3.3Å; D968-V970 VanDerWaalsContact OD1-N 3.08Å; D968-Q971 PolarHBondContact OD1-N 2.79Å; D968-Q971 WeakPolarHBondContact OD2-CB 3.37Å; D968-Q971 WeakPolarHBondContact OD2-CG 3.46Å; D968-V1005 HydrophobicContact CB-CB 4.11Å; D968-V1005 HydrophobicContact CB-CG1 4.07Å; D968-V1005 PolarHBondContact N-O 2.86Å; D968-V1007 HydrophobicContact CB-CG2 4.02Å
969D78.7Confident83.9Confident102 Ų10258.6 Ų58.655%0.54530%0.298SS..THydrogen-bonded Turntrans-78.6-10.9177.566.4-20.2000113.4V967 P973 A976V967-D969 PolarHBondContact O-N 3.13Å; V967-D969 VanDerWaalsContact O-N 3.16Å; D969-P973 WeakPolarHBondContact O-CA 3.02Å; D969-P973 WeakPolarHBondContact O-CB 3.12Å; D969-A976 HydrophobicContact CB-CB 3.95Å
970V74.7Confident84.2Confident121 Ų12156.9 Ų56.973%0.73328%0.284SS*.THydrogen-bonded Turntrans-84-50.7-179.4-175.40000110.8D968D968-V970 VanDerWaalsContact C-N 3.28Å; D968-V970 PolarHBondContact OD1-N 3.3Å; D968-V970 VanDerWaalsContact OD1-N 3.08Å
971Q73.4Confident84.8Confident137 Ų13756.9 Ų56.964%0.6428%0.283SS*.THydrogen-bonded Turntrans-71.4-38.4-179.7-72.7-88-21.100112.1D968D968-Q971 PolarHBondContact OD1-N 2.79Å; D968-Q971 WeakPolarHBondContact OD2-CB 3.37Å; D968-Q971 WeakPolarHBondContact OD2-CG 3.46Å
972F76.1Confident85.2Confident75 Ų7558.7 Ų58.733%0.32929%0.288SS..  trans-134.468-172.8-63.7-81000112.3Y974 P975 A976 V1005F972-Y974 VanDerWaalsContact C-N 3.31Å; F972-Y974 PolarHBondContact O-N 3.2Å; F972-P975 HydrophobicContact CB-CG 4.17Å; F972-P975 WeakPolarHBondContact O-CD 3.39Å; F972-A976 VanDerWaalsContact O-CB 3.31Å; F972-A976 WeakPolarHBondContact O-CB 3.18Å; F972-A976 PolarHBondContact O-N 2.72Å; F972-A976 VanDerWaalsContact O-N 3.1Å; F972-V1005 HydrophobicContact CD2-CB 4.12Å; F972-V1005 HydrophobicContact CD2-CG2 3.51Å; F972-V1005 HydrophobicContact CE2-CB 4.44Å; F972-V1005 HydrophobicContact CE2-CG2 3.45Å; F972-V1005 VanDerWaalsContact CE2-CG2 3.45Å; F972-V1005 HydrophobicContact CZ-CG2 4.49Å
973P77.1Confident85.3Confident82 Ų8257.1 Ų57.153%0.53229%0.286SS..Hα-helixtrans-63-33.5-172.722.6-33.3000113.5D969 S977D969-P973 WeakPolarHBondContact O-CA 3.02Å; D969-P973 WeakPolarHBondContact O-CB 3.12Å; P973-S977 WeakPolarHBondContact O-CB 3.23Å; P973-S977 PolarHBondContact O-N 3.4Å
974Y80.3Confident85.2Confident134 Ų13461.1 Ų61.153%0.52531%0.307SS..Hα-helixtrans-69.5-56.4-179.1-176.5-107.4000112.5F972 A976 S977 I978 E996 F1002F972-Y974 VanDerWaalsContact C-N 3.31Å; F972-Y974 PolarHBondContact O-N 3.2Å; Y974-A976 VanDerWaalsContact C-N 3.26Å; Y974-A976 PolarHBondContact O-N 2.83Å; Y974-S977 WeakPolarHBondContact O-CB 3.21Å; Y974-S977 PolarHBondContact O-N 3.5Å; Y974-S977 PolarHBondContact O-OG 2.87Å; Y974-I978 HydrophobicContact CD1-CD1 4.11Å; Y974-I978 HydrophobicContact CE1-CD1 3.64Å; Y974-I978 HydrophobicContact CE2-CD1 4.17Å; Y974-I978 PolarHBondContact O-N 2.69Å; Y974-E996 PolarHBondContact OH-OE1 2.83Å; Y974-F1002 HydrophobicContact CD1-CE1 4.12Å; Y974-F1002 AromaticContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CZ 4.47Å
975P84Confident85Confident15 Ų1560.9 Ų60.910%0.09731%0.314CS..Hα-helixtrans-53.2-40.6170.4-26.733.6000113.7F972 S977 I978 F979 F1002 K1003 L1004F972-P975 HydrophobicContact CB-CG 4.17Å; F972-P975 WeakPolarHBondContact O-CD 3.39Å; P975-S977 VanDerWaalsContact C-N 3.26Å; P975-S977 PolarHBondContact O-N 2.91Å; P975-I978 PolarHBondContact O-N 2.63Å; P975-I978 VanDerWaalsContact O-N 3.1Å; P975-F979 WeakPolarHBondContact O-CD2 3.39Å; P975-F979 PolarHBondContact O-N 2.95Å; P975-F1002 HydrophobicContact CB-CD1 4.44Å; P975-F1002 HydrophobicContact CG-CD1 4.3Å; P975-K1003 WeakPolarHBondContact CG-O 3.49Å; P975-L1004 HydrophobicContact CB-CD1 3.98Å
976A83.9Confident84.8Confident5 Ų560.2 Ų60.24%0.04131%0.312CS..Hα-helixtrans-67.5-23.2178.600000114.1V967 D969 F972 Y974 I978 F979 R991V967-A976 HydrophobicContact CG1-CB 3.52Å; D969-A976 HydrophobicContact CB-CB 3.95Å; F972-A976 VanDerWaalsContact O-CB 3.31Å; F972-A976 WeakPolarHBondContact O-CB 3.18Å; F972-A976 PolarHBondContact O-N 2.72Å; F972-A976 VanDerWaalsContact O-N 3.1Å; Y974-A976 VanDerWaalsContact C-N 3.26Å; Y974-A976 PolarHBondContact O-N 2.83Å; A976-I978 VanDerWaalsContact C-N 3.34Å; A976-F979 CarbonylContact C-O 3.53Å; A976-R991 PolarHBondContact O-NE 3.41Å
977S81.3Confident84.7Confident60 Ų6060.2 Ų60.242%0.4231%0.312SS..Hα-helixtrans-75.4-24.2172.376.40000112.8P973 Y974 P975P973-S977 WeakPolarHBondContact O-CB 3.23Å; P973-S977 PolarHBondContact O-N 3.4Å; Y974-S977 WeakPolarHBondContact O-CB 3.21Å; Y974-S977 PolarHBondContact O-N 3.5Å; Y974-S977 PolarHBondContact O-OG 2.87Å; P975-S977 VanDerWaalsContact C-N 3.26Å; P975-S977 PolarHBondContact O-N 2.91Å
978I85.3Confident84.7Confident9 Ų959.6 Ų59.65%0.04631%0.308CS..Hα-helixtrans-96.9-38.5-176.6-59167.4000111.8Y974 P975 A976 R991 V992 L994 E996 F1002Y974-I978 HydrophobicContact CD1-CD1 4.11Å; Y974-I978 HydrophobicContact CE1-CD1 3.64Å; Y974-I978 HydrophobicContact CE2-CD1 4.17Å; Y974-I978 PolarHBondContact O-N 2.69Å; P975-I978 PolarHBondContact O-N 2.63Å; P975-I978 VanDerWaalsContact O-N 3.1Å; A976-I978 VanDerWaalsContact C-N 3.34Å; I978-R991 WeakPolarHBondContact O-CB 3.37Å; I978-R991 PolarHBondContact O-N 2.88Å; I978-V992 HydrophobicContact CG2-CG2 4.21Å; I978-L994 HydrophobicContact CG2-CD1 3.9Å; I978-L994 HydrophobicContact CG2-CG 4.17Å; I978-E996 WeakPolarHBondContact CD1-OE1 3.33Å; I978-F1002 HydrophobicContact CD1-CD1 4.36Å; I978-F1002 HydrophobicContact CD1-CE1 3.53Å; I978-F1002 HydrophobicContact CD1-CZ 3.84Å
979F90Very high84.8Confident0 Ų059 Ų590%031%0.305CS..EExtended strand (participates in β ladder)trans-118.1150.8-176.1-54.4-73000110.8V935 I945 P975 A976 V989 T990 L994 F1002 L1004 I1024V935-F979 HydrophobicContact CG1-CE1 4.41Å; V935-F979 HydrophobicContact CG1-CZ 4.44Å; I945-F979 HydrophobicContact CD1-CD1 3.24Å; I945-F979 HydrophobicContact CD1-CE1 3.32Å; I945-F979 HydrophobicContact CD1-CG 4.35Å; I945-F979 HydrophobicContact CD1-CZ 4.48Å; P975-F979 WeakPolarHBondContact O-CD2 3.39Å; P975-F979 PolarHBondContact O-N 2.95Å; A976-F979 CarbonylContact C-O 3.53Å; F979-V989 WeakPolarHBondContact CA-O 3.12Å; F979-T990 HydrophobicContact CD1-CG2 4.18Å; F979-T990 HydrophobicContact CE1-CG2 4.04Å; F979-L994 HydrophobicContact CE1-CD1 3.94Å; F979-L994 HydrophobicContact CZ-CD1 4.34Å; F979-L994 HydrophobicContact CZ-CD2 4.27Å; F979-F1002 HydrophobicContact CD2-CB 4.47Å; F979-F1002 HydrophobicContact CD2-CG 4.47Å; F979-F1002 HydrophobicContact CE2-CB 3.8Å; F979-F1002 AromaticContact CE2-CD1 3.97Å; F979-F1002 HydrophobicContact CE2-CD1 3.97Å; F979-F1002 AromaticContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CE1 4.46Å; F979-F1002 HydrophobicContact CE2-CE2 4.12Å; F979-F1002 AromaticContact CE2-CG 3.49Å; F979-F1002 HydrophobicContact CE2-CG 3.49Å; F979-F1002 VanDerWaalsContact CE2-CG 3.49Å; F979-F1002 AromaticContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CE2 4.17Å; F979-F1002 HydrophobicContact CZ-CG 4.2Å; F979-L1004 HydrophobicContact CB-CD1 4.12Å; F979-L1004 HydrophobicContact CB-CD2 3.85Å; F979-I1024 HydrophobicContact CB-CD1 4.31Å; F979-I1024 HydrophobicContact CD1-CD1 3.83Å; F979-I1024 HydrophobicContact CD2-CD1 3.74Å; F979-I1024 HydrophobicContact CE1-CD1 4.03Å; F979-I1024 HydrophobicContact CE1-CG2 4.15Å; F979-I1024 HydrophobicContact CE2-CD1 3.96Å; F979-I1024 HydrophobicContact CG-CD1 3.66Å; F979-I1024 HydrophobicContact CZ-CB 4.49Å; F979-I1024 HydrophobicContact CZ-CD1 4.09Å; F979-I1024 HydrophobicContact CZ-CG2 3.96Å
980D89.6Confident85.1Confident47 Ų4754.2 Ų54.225%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-133.8165.4174.9-149.71.2000109.9V988 V989 R991D980-V988 CarbonylContact O-C 3.48Å; D980-V988 WeakPolarHBondContact O-CA 3.3Å; D980-V989 HydrophobicContact CB-CG2 4.23Å; D980-V989 PolarHBondContact N-O 2.79Å; D980-V989 PolarHBondContact O-N 2.78Å; D980-R991 HydrophobicContact CB-CB 4.26Å; D980-R991 HydrophobicContact CB-CG 4.47Å; D980-R991 IonicContact OD1-CZ 3.47Å; D980-R991 IonicContact OD1-NH1 3.21Å; D980-R991 IonicContact OD1-NH2 2.83Å; D980-R991 PolarHBondContact OD1-NH2 2.73Å; D980-R991 IonicContact OD2-CZ 3.94Å; D980-R991 IonicContact OD2-NE 3.15Å; D980-R991 IonicContact OD2-NH1 2.62Å; D980-R991 PolarHBondContact OD2-NH1 3.15Å; D980-R991 IonicContact OD2-NH2 3.89Å; D980-R991 PolarHBondContact OD2-NH2 2.89Å; D980-R991 VanDerWaalsContact OD2-NH2 3.12Å
981V92.6Very high85.5Confident10 Ų1053.2 Ų53.26%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-120.4136.3170.269.20000108.8V948 V967 E983 R987 V988 V1006V948-V981 HydrophobicContact CG2-CG2 4.31Å; V967-V981 HydrophobicContact CG2-CB 4.25Å; V967-V981 HydrophobicContact CG2-CG1 3.92Å; V981-E983 PolarHBondContact O-N 2.74Å; V981-R987 WeakPolarHBondContact CA-O 3.3Å; V981-V988 HydrophobicContact CG2-CG2 4.21Å; V981-V1006 HydrophobicContact CB-CG1 4.44Å; V981-V1006 HydrophobicContact CG1-CG1 4.14Å; V981-V1006 HydrophobicContact CG2-CG1 4.28Å
982E92Very high85.9Confident62 Ų6249.6 Ų49.629%0.2925%0.25SS..  trans-69.2126.3170.9-78.7173.2-158.600110.2D984 S985 G986 R987E982-D984 PolarHBondContact O-N 3.18Å; E982-S985 WeakPolarHBondContact CB-OG 3.45Å; E982-S985 PolarHBondContact O-N 2.97Å; E982-S985 PolarHBondContact OE2-OG 3.18Å; E982-G986 PolarHBondContact O-N 3.29Å; E982-G986 VanDerWaalsContact O-N 3.08Å; E982-R987 HydrophobicContact CB-CB 4.32Å; E982-R987 PolarHBondContact N-O 3Å; E982-R987 IonicContact OE1-CZ 3.43Å; E982-R987 IonicContact OE1-NE 2.83Å; E982-R987 PolarHBondContact OE1-NE 3.06Å; E982-R987 IonicContact OE1-NH2 3.42Å; E982-R987 PolarHBondContact OE1-NH2 3.06Å; E982-R987 IonicContact OE2-CZ 3.24Å; E982-R987 IonicContact OE2-NE 2.77Å; E982-R987 PolarHBondContact OE2-NE 2.9Å; E982-R987 IonicContact OE2-NH2 3.41Å; E982-R987 PolarHBondContact OE2-NH2 3.43Å
983E90.8Very high85.9Confident90 Ų9051.2 Ų51.242%0.42126%0.262SS..THydrogen-bonded Turntrans-59.8-42.8-167.5-170.4171.6-173.900113.6R964 Y965 V981R964-E983 CarbonylContact C-O 3.43Å; R964-E983 WeakPolarHBondContact CA-O 3.49Å; R964-E983 HydrophobicContact CB-CG 4.07Å; R964-E983 HydrophobicContact CG-CG 4.43Å; R964-E983 IonicContact CZ-OE1 3.44Å; R964-E983 IonicContact NE-OE1 3Å; R964-E983 IonicContact NH1-OE1 3.76Å; R964-E983 PolarHBondContact NH1-OE1 2.82Å; Y965-E983 WeakPolarHBondContact CD2-O 3.49Å; Y965-E983 PolarHBondContact N-O 2.97Å; Y965-E983 WeakPolarHBondContact O-CA 3.03Å; V981-E983 PolarHBondContact O-N 2.74Å
984D88.1Confident86.1Confident112 Ų11247.8 Ų47.860%0.59924%0.239SC*.THydrogen-bonded Turntrans-95.3-24.3-178.2-56.8-65.6000113.7R962 E982R962-D984 IonicContact NH2-OD1 3.03Å; R962-D984 PolarHBondContact NH2-OD1 2.98Å; E982-D984 PolarHBondContact O-N 3.18Å
985S88Confident86Confident54 Ų5448.8 Ų48.838%0.37825%0.254SS..THydrogen-bonded Turntrans-99.6-15.7-17178.80000114.2E982 R987E982-S985 WeakPolarHBondContact CB-OG 3.45Å; E982-S985 PolarHBondContact O-N 2.97Å; E982-S985 PolarHBondContact OE2-OG 3.18Å; S985-R987 PolarHBondContact O-N 3.21Å; S985-R987 VanDerWaalsContact OG-CB 3.28Å; S985-R987 WeakPolarHBondContact OG-CB 3.44Å; S985-R987 PolarHBondContact OG-N 3.31Å
986G87.8Confident85.7Confident0 Ų050.2 Ų50.20%026%0.259CS..  trans68.211.1-173.600000113.7T947 V948 Y965 E982 V988T947-G986 WeakPolarHBondContact CA-O 3.2Å; V948-G986 VanDerWaalsContact CG2-O 3.31Å; V948-G986 WeakPolarHBondContact CG2-O 3.29Å; V948-G986 PolarHBondContact N-O 2.74Å; Y965-G986 VanDerWaalsContact CD2-CA 3.43Å; E982-G986 PolarHBondContact O-N 3.29Å; E982-G986 VanDerWaalsContact O-N 3.08Å; G986-V988 PolarHBondContact O-N 3.34Å
987R90.3Very high85.3Confident108 Ų10857 Ų5741%0.40829%0.29SS..EExtended strand (participates in β ladder)trans-78.5119-179.1-169.5167.465.3-153.22.9110.7P944 V981 E982 S985 V989P944-R987 HydrophobicContact CB-CG 4.24Å; V981-R987 WeakPolarHBondContact CA-O 3.3Å; E982-R987 HydrophobicContact CB-CB 4.32Å; E982-R987 PolarHBondContact N-O 3Å; E982-R987 IonicContact OE1-CZ 3.43Å; E982-R987 IonicContact OE1-NE 2.83Å; E982-R987 PolarHBondContact OE1-NE 3.06Å; E982-R987 IonicContact OE1-NH2 3.42Å; E982-R987 PolarHBondContact OE1-NH2 3.06Å; E982-R987 IonicContact OE2-CZ 3.24Å; E982-R987 IonicContact OE2-NE 2.77Å; E982-R987 PolarHBondContact OE2-NE 2.9Å; E982-R987 IonicContact OE2-NH2 3.41Å; E982-R987 PolarHBondContact OE2-NH2 3.43Å; S985-R987 PolarHBondContact O-N 3.21Å; S985-R987 VanDerWaalsContact OG-CB 3.28Å; S985-R987 WeakPolarHBondContact OG-CB 3.44Å; S985-R987 PolarHBondContact OG-N 3.31Å; R987-V989 HydrophobicContact CG-CG1 4.09Å
988V89.9Confident84.9Confident0 Ų056.3 Ų56.30%028%0.284CS..EExtended strand (participates in β ladder)trans-83.4122.7176.6-175.70000109.1I945 T946 V948 D980 V981 G986 L1004 V1022 I1024I945-V988 HydrophobicContact CD1-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.33Å; T946-V988 HydrophobicContact CG2-CB 4.15Å; T946-V988 HydrophobicContact CG2-CG2 4.05Å; T946-V988 PolarHBondContact O-N 2.79Å; V948-V988 HydrophobicContact CG1-CG2 4.21Å; D980-V988 CarbonylContact O-C 3.48Å; D980-V988 WeakPolarHBondContact O-CA 3.3Å; V981-V988 HydrophobicContact CG2-CG2 4.21Å; G986-V988 PolarHBondContact O-N 3.34Å; V988-L1004 HydrophobicContact CG1-CD2 3.79Å; V988-V1022 HydrophobicContact CG2-CG2 4.36Å; V988-I1024 HydrophobicContact CG1-CD1 4.32Å
989V87.9Confident84.4Confident16 Ų1660.3 Ų60.310%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-128.6159.9-174-63.10000111.8T943 F979 D980 R987T943-V989 WeakPolarHBondContact O-CA 3.46Å; F979-V989 WeakPolarHBondContact CA-O 3.12Å; D980-V989 HydrophobicContact CB-CG2 4.23Å; D980-V989 PolarHBondContact N-O 2.79Å; D980-V989 PolarHBondContact O-N 2.78Å; R987-V989 HydrophobicContact CG-CG1 4.09Å
990T84.3Confident84Confident1 Ų162 Ų621%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-75.3124170.257.90000110.4V935 A939 V940 K941 G942 T943 I945 F979 V992 L994V935-T990 HydrophobicContact CG2-CG2 3.97Å; A939-T990 HydrophobicContact CB-CG2 4.42Å; V940-T990 PolarHBondContact O-OG1 3.46Å; K941-T990 WeakPolarHBondContact CA-OG1 3.3Å; G942-T990 PolarHBondContact N-O 3.05Å; G942-T990 PolarHBondContact N-OG1 3.36Å; T943-T990 PolarHBondContact N-OG1 3.06Å; T943-T990 PolarHBondContact O-N 2.85Å; T943-T990 VanDerWaalsContact O-N 3.09Å; I945-T990 HydrophobicContact CD1-CG2 3.96Å; I945-T990 HydrophobicContact CG1-CG2 4.38Å; F979-T990 HydrophobicContact CD1-CG2 4.18Å; F979-T990 HydrophobicContact CE1-CG2 4.04Å; T990-V992 WeakPolarHBondContact CB-O 3.46Å; T990-L994 HydrophobicContact CG2-CD1 3.37Å
991R82.9Confident83.8Confident100 Ų10064.5 Ų64.538%0.37733%0.332SS..SBendtrans-76.1-27.8176.5-164.9-171.5-70.7-90.28.4111.9K941 A976 I978 D980K941-R991 WeakPolarHBondContact CD-O 3.45Å; K941-R991 WeakPolarHBondContact CE-O 3.4Å; K941-R991 VanDerWaalsContact CG-O 3.3Å; K941-R991 WeakPolarHBondContact CG-O 3.44Å; A976-R991 PolarHBondContact O-NE 3.41Å; I978-R991 WeakPolarHBondContact O-CB 3.37Å; I978-R991 PolarHBondContact O-N 2.88Å; D980-R991 HydrophobicContact CB-CB 4.26Å; D980-R991 HydrophobicContact CB-CG 4.47Å; D980-R991 IonicContact OD1-CZ 3.47Å; D980-R991 IonicContact OD1-NH1 3.21Å; D980-R991 IonicContact OD1-NH2 2.83Å; D980-R991 PolarHBondContact OD1-NH2 2.73Å; D980-R991 IonicContact OD2-CZ 3.94Å; D980-R991 IonicContact OD2-NE 3.15Å; D980-R991 IonicContact OD2-NH1 2.62Å; D980-R991 PolarHBondContact OD2-NH1 3.15Å; D980-R991 IonicContact OD2-NH2 3.89Å; D980-R991 PolarHBondContact OD2-NH2 2.89Å; D980-R991 VanDerWaalsContact OD2-NH2 3.12Å
992V82.2Confident83.5Confident62 Ų6264.7 Ų64.738%0.37633%0.332SS..SBendtrans-131.7166.7-178.1-59.70000110.8I978 T990 L994I978-V992 HydrophobicContact CG2-CG2 4.21Å; T990-V992 WeakPolarHBondContact CB-O 3.46Å; V992-L994 PolarHBondContact O-N 2.77Å
993N76.7Confident83.2Confident109 Ų10966.9 Ų66.958%0.58334%0.34SS*.  trans-68.5122.4167-63-16.6000108A939 V940 K941A939-N993 CarbonylContact O-C 3.14Å; A939-N993 WeakPolarHBondContact O-CA 3.35Å; V940-N993 WeakPolarHBondContact CG1-OD1 3.36Å; K941-N993 WeakPolarHBondContact CB-OD1 3.38Å; K941-N993 PolarHBondContact N-OD1 3.15Å
994L80.5Confident83.1Confident9 Ų962.6 Ų62.65%0.04732%0.32CS..  trans-68.6144.1177.3-98.686.8000110.8V935 P937 A939 I978 F979 T990 V992 E996 V1026V935-L994 HydrophobicContact CG1-CD2 3.7Å; V935-L994 HydrophobicContact CG2-CD1 4.4Å; V935-L994 HydrophobicContact CG2-CD2 4.26Å; P937-L994 CarbonylContact O-C 3.51Å; P937-L994 WeakPolarHBondContact O-CB 3.19Å; P937-L994 VanDerWaalsContact O-O 3.05Å; A939-L994 HydrophobicContact CB-CB 4.43Å; A939-L994 PolarHBondContact O-N 2.74Å; I978-L994 HydrophobicContact CG2-CD1 3.9Å; I978-L994 HydrophobicContact CG2-CG 4.17Å; F979-L994 HydrophobicContact CE1-CD1 3.94Å; F979-L994 HydrophobicContact CZ-CD1 4.34Å; F979-L994 HydrophobicContact CZ-CD2 4.27Å; T990-L994 HydrophobicContact CG2-CD1 3.37Å; V992-L994 PolarHBondContact O-N 2.77Å; L994-E996 HydrophobicContact CD2-CB 4.33Å; L994-E996 HydrophobicContact CD2-CG 4.25Å; L994-E996 HydrophobicContact CG-CG 4.41Å; L994-V1026 HydrophobicContact CD2-CG2 4.1Å
995N77.2Confident83.2Confident155 Ų15558 Ų5883%0.82930%0.296SS*.  trans-147.457.3168.6-179.351.9000108P937P937-N995 WeakPolarHBondContact O-CA 3.32Å; P937-N995 PolarHBondContact O-N 2.77Å
996E78.1Confident83.4Confident45 Ų4555.4 Ų55.421%0.2128%0.278CS..  trans-106.9152.6-172.5-70.2-69.3174.800111.3P937 Y974 I978 L994 F1002 V1026P937-E996 WeakPolarHBondContact CB-O 3.29Å; P937-E996 PolarHBondContact O-N 2.94Å; Y974-E996 PolarHBondContact OH-OE1 2.83Å; I978-E996 WeakPolarHBondContact CD1-OE1 3.33Å; L994-E996 HydrophobicContact CD2-CB 4.33Å; L994-E996 HydrophobicContact CD2-CG 4.25Å; L994-E996 HydrophobicContact CG-CG 4.41Å; E996-F1002 HydrophobicContact CB-CE2 4.39Å; E996-F1002 HydrophobicContact CB-CZ 4.36Å; E996-F1002 HydrophobicContact CG-CE2 4.07Å; E996-F1002 HydrophobicContact CG-CZ 3.7Å; E996-V1026 HydrophobicContact CB-CG2 4.21Å
997E75.7Confident83.6Confident149 Ų14955.8 Ų55.870%0.69628%0.28SS*.  trans-63.8140.1178.5-72.3-175.6170.500111T1000E997-T1000 HydrophobicContact CB-CG2 3.89Å; E997-T1000 WeakPolarHBondContact O-CB 3.31Å; E997-T1000 WeakPolarHBondContact O-CG2 3.33Å; E997-T1000 PolarHBondContact O-N 3.12Å; E997-T1000 PolarHBondContact O-OG1 2.98Å
998P74Confident83.7Confident44 Ų4450.6 Ų50.629%0.28626%0.261SS..THydrogen-bonded Turntrans-49.4144.5170.9-30.738000112.6T1000 H1028 P1029P998-T1000 PolarHBondContact O-N 2.92Å; P998-H1028 HydrophobicContact CB-CB 4.22Å; P998-H1028 VanDerWaalsContact CB-CD2 3.43Å; P998-H1028 WeakPolarHBondContact CB-CD2 3.21Å; P998-P1029 HydrophobicContact CG-CG 4.49Å
999T74.1Confident83.8Confident93 Ų9351.8 Ų51.857%0.57127%0.266SS*.THydrogen-bonded Turntrans68.55.6178.572.30000116.2V1026T999-V1026 VanDerWaalsContact CA-O 3.23Å; T999-V1026 WeakPolarHBondContact CA-O 3.42Å; T999-V1026 PolarHBondContact N-O 2.83Å
1000T82.2Confident83.9Confident37 Ų3751 Ų5123%0.22726%0.261CS..  trans-64.2138.6170.550.70000110.9E997 P998 V1026E997-T1000 HydrophobicContact CB-CG2 3.89Å; E997-T1000 WeakPolarHBondContact O-CB 3.31Å; E997-T1000 WeakPolarHBondContact O-CG2 3.33Å; E997-T1000 PolarHBondContact O-N 3.12Å; E997-T1000 PolarHBondContact O-OG1 2.98Å; P998-T1000 PolarHBondContact O-N 2.92Å; T1000-V1026 PolarHBondContact O-N 2.69Å; T1000-V1026 VanDerWaalsContact OG1-CB 3.3Å; T1000-V1026 WeakPolarHBondContact OG1-CB 3.23Å; T1000-V1026 WeakPolarHBondContact OG1-CG2 3.37Å
1001I84.3Confident84Confident98 Ų9853.1 Ų53.150%0.50327%0.272SS..EExtended strand (participates in β ladder)trans-116.9113.2-179.8-60.2172.5000108.9I1024 L1025I1001-I1024 CarbonylContact C-O 3.6Å; I1001-I1024 WeakPolarHBondContact CA-O 3.39Å; I1001-L1025 HydrophobicContact CD1-CD1 4.31Å; I1001-L1025 HydrophobicContact CG1-CD1 3.63Å
1002F86.3Confident83.8Confident14 Ų1448.6 Ų48.66%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-86.9142.1171.6-63.6-83.8000110.8Y974 P975 I978 F979 E996 R1023 I1024 V1026Y974-F1002 HydrophobicContact CD1-CE1 4.12Å; Y974-F1002 AromaticContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CZ 4.47Å; P975-F1002 HydrophobicContact CB-CD1 4.44Å; P975-F1002 HydrophobicContact CG-CD1 4.3Å; I978-F1002 HydrophobicContact CD1-CD1 4.36Å; I978-F1002 HydrophobicContact CD1-CE1 3.53Å; I978-F1002 HydrophobicContact CD1-CZ 3.84Å; F979-F1002 HydrophobicContact CD2-CB 4.47Å; F979-F1002 HydrophobicContact CD2-CG 4.47Å; F979-F1002 HydrophobicContact CE2-CB 3.8Å; F979-F1002 AromaticContact CE2-CD1 3.97Å; F979-F1002 HydrophobicContact CE2-CD1 3.97Å; F979-F1002 AromaticContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CE1 4.46Å; F979-F1002 HydrophobicContact CE2-CE2 4.12Å; F979-F1002 AromaticContact CE2-CG 3.49Å; F979-F1002 HydrophobicContact CE2-CG 3.49Å; F979-F1002 VanDerWaalsContact CE2-CG 3.49Å; F979-F1002 AromaticContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CE2 4.17Å; F979-F1002 HydrophobicContact CZ-CG 4.2Å; E996-F1002 HydrophobicContact CB-CE2 4.39Å; E996-F1002 HydrophobicContact CB-CZ 4.36Å; E996-F1002 HydrophobicContact CG-CE2 4.07Å; E996-F1002 HydrophobicContact CG-CZ 3.7Å; F1002-R1023 WeakPolarHBondContact O-CA 3.19Å; F1002-I1024 HydrophobicContact CB-CB 4.22Å; F1002-I1024 PolarHBondContact N-O 2.79Å; F1002-I1024 PolarHBondContact O-N 2.86Å; F1002-V1026 HydrophobicContact CD2-CG2 4.06Å; F1002-V1026 HydrophobicContact CE2-CG2 3.62Å
1003K86.4Confident83.6Confident109 Ų10953.9 Ų53.947%0.47428%0.278SS..EExtended strand (participates in β ladder)trans-112.4102.5168-65.8-179.1-177.4176.60107.1P975 T1021P975-K1003 WeakPolarHBondContact CG-O 3.49Å; K1003-T1021 HydrophobicContact CB-CG2 4.3Å
1004L89Confident83.9Confident0 Ų053.2 Ų53.20%028%0.279CS..EExtended strand (participates in β ladder)trans-96.1133.8174-17273.6000107.9V967 P975 F979 V988 V1006 T1021 V1022 I1024V967-L1004 HydrophobicContact CG1-CD1 3.42Å; V967-L1004 VanDerWaalsContact CG1-CD1 3.42Å; V967-L1004 HydrophobicContact CG1-CG 4.09Å; V967-L1004 HydrophobicContact CG2-CD1 4.34Å; V967-L1004 HydrophobicContact CG2-CD2 4.38Å; P975-L1004 HydrophobicContact CB-CD1 3.98Å; F979-L1004 HydrophobicContact CB-CD1 4.12Å; F979-L1004 HydrophobicContact CB-CD2 3.85Å; V988-L1004 HydrophobicContact CG1-CD2 3.79Å; L1004-V1006 HydrophobicContact CD2-CG2 4.08Å; L1004-V1006 HydrophobicContact CG-CG2 4.34Å; L1004-T1021 CarbonylContact O-C 3.58Å; L1004-T1021 WeakPolarHBondContact O-CA 3.42Å; L1004-V1022 HydrophobicContact CB-CB 4.25Å; L1004-V1022 PolarHBondContact N-O 2.83Å; L1004-V1022 PolarHBondContact O-N 2.89Å; L1004-I1024 HydrophobicContact CB-CD1 4.32Å; L1004-I1024 HydrophobicContact CD2-CD1 4.28Å
1005V89.7Confident84.1Confident15 Ų1557.1 Ų57.19%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-104.3120.8172.3176.60000107.6D968 F972D968-V1005 HydrophobicContact CB-CB 4.11Å; D968-V1005 HydrophobicContact CB-CG1 4.07Å; D968-V1005 PolarHBondContact N-O 2.86Å; F972-V1005 HydrophobicContact CD2-CB 4.12Å; F972-V1005 HydrophobicContact CD2-CG2 3.51Å; F972-V1005 HydrophobicContact CE2-CB 4.44Å; F972-V1005 HydrophobicContact CE2-CG2 3.45Å; F972-V1005 VanDerWaalsContact CE2-CG2 3.45Å; F972-V1005 HydrophobicContact CZ-CG2 4.49Å
1006V91.7Very high84.6Confident0 Ų051.9 Ų51.90%027%0.274CS..EExtended strand (participates in β ladder)trans-104.8133.5176.4-179.40000107.7F926 V948 Y965 V981 L1004 S1019 A1020 V1022F926-V1006 HydrophobicContact CZ-CG1 4.19Å; V948-V1006 HydrophobicContact CG2-CG1 4.06Å; Y965-V1006 HydrophobicContact CD1-CG1 4.32Å; V981-V1006 HydrophobicContact CB-CG1 4.44Å; V981-V1006 HydrophobicContact CG1-CG1 4.14Å; V981-V1006 HydrophobicContact CG2-CG1 4.28Å; L1004-V1006 HydrophobicContact CD2-CG2 4.08Å; L1004-V1006 HydrophobicContact CG-CG2 4.34Å; V1006-S1019 CarbonylContact O-C 3.57Å; V1006-S1019 VanDerWaalsContact O-CA 3.26Å; V1006-S1019 WeakPolarHBondContact O-CA 3.42Å; V1006-A1020 PolarHBondContact N-O 2.92Å; V1006-A1020 PolarHBondContact O-N 3.3Å; V1006-V1022 HydrophobicContact CG2-CG2 3.71Å
1007V91.3Very high85.2Confident7 Ų752.7 Ų52.74%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-106.7123.5177.6-177.20000107.6Y965 R966 D968 S1018Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 3.22Å; R966-V1007 PolarHBondContact O-N 3.11Å; D968-V1007 HydrophobicContact CB-CG2 4.02Å; V1007-S1018 CarbonylContact C-O 3.54Å; V1007-S1018 VanDerWaalsContact CA-O 3.24Å; V1007-S1018 WeakPolarHBondContact CA-O 3.37Å; V1007-S1018 WeakPolarHBondContact CG1-O 3.46Å
1008A92.7Very high85.9Confident0 Ų047.1 Ų47.10%026%0.262CS..EExtended strand (participates in β ladder)trans-92.2133164.900000107.3P924 F926 A950 V963 R964 Y965 S1017 S1018P924-A1008 HydrophobicContact CB-CB 3.97Å; F926-A1008 HydrophobicContact CD2-CB 4.28Å; F926-A1008 HydrophobicContact CE1-CB 4.09Å; F926-A1008 HydrophobicContact CE2-CB 3.47Å; F926-A1008 VanDerWaalsContact CE2-CB 3.47Å; F926-A1008 HydrophobicContact CZ-CB 3.37Å; A950-A1008 HydrophobicContact CB-CB 3.79Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å; R964-A1008 CarbonylContact O-C 3.16Å; R964-A1008 WeakPolarHBondContact O-CA 3.23Å; Y965-A1008 HydrophobicContact CD1-CB 4.02Å; Y965-A1008 HydrophobicContact CE1-CB 3.98Å; A1008-S1017 CarbonylContact O-C 3.55Å; A1008-S1017 WeakPolarHBondContact O-CA 3.28Å; A1008-S1017 VanDerWaalsContact O-CB 3.26Å; A1008-S1017 WeakPolarHBondContact O-CB 3.37Å; A1008-S1018 PolarHBondContact N-O 3.36Å; A1008-S1018 PolarHBondContact O-N 2.89Å
1009F91.8Very high86.7Confident25 Ų2549 Ų4911%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-140.4146.8179.365.1-80.1000109.5R964 R966 V1015 M1016R964-F1009 HydrophobicContact CB-CE1 4Å; R964-F1009 HydrophobicContact CB-CE2 4.02Å; R964-F1009 HydrophobicContact CB-CZ 3.7Å; R964-F1009 PolarHBondContact N-O 2.91Å; R964-F1009 WeakPolarHBondContact O-CD1 3.33Å; R964-F1009 PolarHBondContact O-N 3.09Å; R966-F1009 HydrophobicContact CB-CD1 4.45Å; R966-F1009 HydrophobicContact CB-CE1 3.8Å; R966-F1009 HydrophobicContact CG-CD1 3.76Å; R966-F1009 HydrophobicContact CG-CE1 3.57Å; F1009-V1015 HydrophobicContact CB-CG1 4.09Å; F1009-V1015 HydrophobicContact CD2-CG1 4.31Å; F1009-M1016 VanDerWaalsContact CA-O 3.23Å; F1009-M1016 WeakPolarHBondContact CA-O 3.39Å; F1009-M1016 WeakPolarHBondContact CB-O 3.44Å
1010D90.8Very high87.5Confident0 Ų044.7 Ų44.70%025%0.25CS..  trans-88.3176.1174.853.760.7000112.2N920 P924 A960 R962 G1012 V1015 M1016N920-D1010 PolarHBondContact ND2-OD1 3.47Å; N920-D1010 PolarHBondContact ND2-OD2 2.81Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.45Å; P924-D1010 HydrophobicContact CG-CB 4.05Å; A960-D1010 WeakPolarHBondContact O-CB 3.42Å; R962-D1010 WeakPolarHBondContact O-CA 3.38Å; D1010-G1012 PolarHBondContact OD1-N 3.34Å; D1010-V1015 WeakPolarHBondContact O-CG1 3.21Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.25Å; D1010-M1016 PolarHBondContact N-O 2.82Å; D1010-M1016 PolarHBondContact OD1-N 2.99Å; D1010-M1016 VanDerWaalsContact OD2-C 3.23Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.31Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.36Å; D1010-M1016 PolarHBondContact OD2-N 3.27Å
1011D85.4Confident87.8Confident44 Ų4445.1 Ų45.124%0.23525%0.253CS..SBendtrans-100.420.1170.6-71.6-18.9000111.7P959 R962 R964P959-D1011 HydrophobicContact CB-CB 3.98Å; P959-D1011 WeakPolarHBondContact CB-O 3.32Å; P959-D1011 CarbonylContact O-C 3.45Å; P959-D1011 WeakPolarHBondContact O-CA 3.29Å; P959-D1011 WeakPolarHBondContact O-CB 3.34Å; P959-D1011 PolarHBondContact O-N 3.4Å; R962-D1011 IonicContact CZ-OD2 3.95Å; R962-D1011 IonicContact NE-OD2 3.86Å; R962-D1011 IonicContact NH1-OD2 2.72Å; R962-D1011 PolarHBondContact NH1-OD2 2.8Å; R964-D1011 IonicContact CZ-OD1 2.65Å; R964-D1011 IonicContact CZ-OD2 3.12Å; R964-D1011 IonicContact NE-OD1 3Å; R964-D1011 PolarHBondContact NE-OD1 3.39Å; R964-D1011 IonicContact NE-OD2 3.8Å; R964-D1011 PolarHBondContact NE-OD2 3.28Å; R964-D1011 IonicContact NH2-OD1 2.74Å; R964-D1011 PolarHBondContact NH2-OD1 2.95Å; R964-D1011 IonicContact NH2-OD2 2.79Å
1012G80.5Confident88.1Confident5 Ų540.4 Ų40.45%0.05223%0.229CC..SBendtrans-77.5167.6179.300000113.6D1010 P1014 V1015D1010-G1012 PolarHBondContact OD1-N 3.34Å; G1012-P1014 CarbonylContact C-O 3.55Å; G1012-P1014 CarbonylContact O-C 3.54Å; G1012-P1014 VanDerWaalsContact O-C 3.24Å; G1012-V1015 VanDerWaalsContact O-CA 3.26Å; G1012-V1015 WeakPolarHBondContact O-CA 3.15Å; G1012-V1015 VanDerWaalsContact O-CG2 3.22Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.21Å; G1012-V1015 PolarHBondContact O-N 3.07Å
1013E76.8Confident88.2Confident174 Ų17445 Ų4581%0.81325%0.246SC*.SBendtrans-121.2113.9172.3-76.8-171.8173.800109.9
1014P83Confident88.2Confident95 Ų9539.8 Ų39.862%0.61722%0.223SC*.SBendcis-69.6151.1-2.331.8-34.7000112N920 G1012 M1016N920-P1014 PolarHBondContact ND2-O 2.61Å; G1012-P1014 CarbonylContact C-O 3.55Å; G1012-P1014 CarbonylContact O-C 3.54Å; G1012-P1014 VanDerWaalsContact O-C 3.24Å; P1014-M1016 PolarHBondContact O-N 3.49Å
1015V85.5Confident87.9Confident90 Ų9042.3 Ų42.355%0.54524%0.236SC..PPolyproline II helixtrans-64.9123175.3173.40000108.8F1009 D1010 G1012F1009-V1015 HydrophobicContact CB-CG1 4.09Å; F1009-V1015 HydrophobicContact CD2-CG1 4.31Å; D1010-V1015 WeakPolarHBondContact O-CG1 3.21Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.25Å; G1012-V1015 VanDerWaalsContact O-CA 3.26Å; G1012-V1015 WeakPolarHBondContact O-CA 3.15Å; G1012-V1015 VanDerWaalsContact O-CG2 3.22Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.21Å; G1012-V1015 PolarHBondContact O-N 3.07Å
1016M87.5Confident87.5Confident45 Ų4541.6 Ų41.622%0.22223%0.232CC..PPolyproline II helixtrans-101.6154.9172.7-63.8-144.3-73.800111.4N920 D921 P923 F1009 D1010 P1014N920-M1016 VanDerWaalsContact OD1-CE 3.31Å; N920-M1016 WeakPolarHBondContact OD1-CE 3.48Å; D921-M1016 WeakPolarHBondContact O-CE 3.43Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.25Å; P923-M1016 HydrophobicContact CB-SD 4.39Å; P923-M1016 VanDerWaalsContact N-CE 3.33Å; F1009-M1016 VanDerWaalsContact CA-O 3.23Å; F1009-M1016 WeakPolarHBondContact CA-O 3.39Å; F1009-M1016 WeakPolarHBondContact CB-O 3.44Å; D1010-M1016 PolarHBondContact N-O 2.82Å; D1010-M1016 PolarHBondContact OD1-N 2.99Å; D1010-M1016 VanDerWaalsContact OD2-C 3.23Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.31Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.36Å; D1010-M1016 PolarHBondContact OD2-N 3.27Å; P1014-M1016 PolarHBondContact O-N 3.49Å
1017S90.1Very high86.8Confident62 Ų6241.9 Ų41.943%0.43423%0.233SC..EExtended strand (participates in β ladder)trans-155.8149.4-174.462.20000112.9A1008A1008-S1017 CarbonylContact O-C 3.55Å; A1008-S1017 WeakPolarHBondContact O-CA 3.28Å; A1008-S1017 VanDerWaalsContact O-CB 3.26Å; A1008-S1017 WeakPolarHBondContact O-CB 3.37Å
1018S90.6Very high86Confident33 Ų3345.9 Ų45.923%0.23125%0.251CS..EExtended strand (participates in β ladder)trans-129.6166.6169.680.90000110.5P924 F926 V1007 A1008P924-S1018 WeakPolarHBondContact O-CB 3.45Å; P924-S1018 PolarHBondContact O-OG 3.06Å; F926-S1018 VanDerWaalsContact CD2-OG 3.31Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.42Å; V1007-S1018 CarbonylContact C-O 3.54Å; V1007-S1018 VanDerWaalsContact CA-O 3.24Å; V1007-S1018 WeakPolarHBondContact CA-O 3.37Å; V1007-S1018 WeakPolarHBondContact CG1-O 3.46Å; A1008-S1018 PolarHBondContact N-O 3.36Å; A1008-S1018 PolarHBondContact O-N 2.89Å
1019S90.5Very high84.8Confident82 Ų8248.9 Ų48.957%0.57327%0.271SS*.EExtended strand (participates in β ladder)trans-131.8145-179.661.40000112.7V1006V1006-S1019 CarbonylContact O-C 3.57Å; V1006-S1019 VanDerWaalsContact O-CA 3.26Å; V1006-S1019 WeakPolarHBondContact O-CA 3.42Å
1020A90.4Very high83.7Confident3 Ų348.5 Ų48.53%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-131.5147.8173.700000110.4F926 Y931 V1006F926-A1020 HydrophobicContact CB-CB 4.05Å; F926-A1020 HydrophobicContact CD1-CB 3.91Å; F926-A1020 HydrophobicContact CD2-CB 3.58Å; F926-A1020 HydrophobicContact CE1-CB 4.2Å; F926-A1020 HydrophobicContact CE2-CB 3.9Å; F926-A1020 HydrophobicContact CG-CB 3.57Å; F926-A1020 HydrophobicContact CZ-CB 4.18Å; Y931-A1020 HydrophobicContact CD2-CB 4.22Å; Y931-A1020 HydrophobicContact CE2-CB 4.08Å; V1006-A1020 PolarHBondContact N-O 2.92Å; V1006-A1020 PolarHBondContact O-N 3.3Å
1021T89.7Confident82.6Confident46 Ų4651.7 Ų51.728%0.28229%0.289SS..EExtended strand (participates in β ladder)trans-95.4126.3178.2-48.50000111.1R929 I930 Y931 K1003 L1004 R1023R929-T1021 PolarHBondContact O-N 3.21Å; I930-T1021 CarbonylContact C-O 3.56Å; I930-T1021 VanDerWaalsContact CA-O 3.28Å; I930-T1021 WeakPolarHBondContact CA-O 2.95Å; Y931-T1021 PolarHBondContact N-O 3.1Å; K1003-T1021 HydrophobicContact CB-CG2 4.3Å; L1004-T1021 CarbonylContact O-C 3.58Å; L1004-T1021 WeakPolarHBondContact O-CA 3.42Å; T1021-R1023 HydrophobicContact CG2-CG 4.47Å
1022V89.7Confident81.9Confident0 Ų050.6 Ų50.60%028%0.283CS..EExtended strand (participates in β ladder)trans-98.8116.7170.1-169.40000108.6Y931 T946 V948 V988 L1004 V1006 I1024Y931-V1022 CarbonylContact O-C 3.55Å; Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; T946-V1022 HydrophobicContact CG2-CG1 3.64Å; V948-V1022 HydrophobicContact CG1-CG2 3.8Å; V988-V1022 HydrophobicContact CG2-CG2 4.36Å; L1004-V1022 HydrophobicContact CB-CB 4.25Å; L1004-V1022 PolarHBondContact N-O 2.83Å; L1004-V1022 PolarHBondContact O-N 2.89Å; V1006-V1022 HydrophobicContact CG2-CG2 3.71Å; V1022-I1024 HydrophobicContact CG1-CD1 4.39Å; V1022-I1024 HydrophobicContact CG1-CG1 3.89Å
1023R88.5Confident81.7Confident109 Ų10950.5 Ų50.541%0.41128%0.282SS..EExtended strand (participates in β ladder)trans-94.7111.4175-63.9-177.483.1168.53108.9I930 Y931 K932 G933 F1002 T1021I930-R1023 HydrophobicContact CG2-CG 4.07Å; Y931-R1023 PolarHBondContact O-N 2.92Å; K932-R1023 WeakPolarHBondContact CA-O 3.43Å; G933-R1023 PolarHBondContact N-O 3.36Å; F1002-R1023 WeakPolarHBondContact O-CA 3.19Å; T1021-R1023 HydrophobicContact CG2-CG 4.47Å
1024I86.8Confident81.5Confident0 Ų048.9 Ų48.90%027%0.268CS..EExtended strand (participates in β ladder)trans-107.1116.9-176.5-53.2168.4000108.1G933 V935 I945 F979 V988 I1001 F1002 L1004 V1022G933-I1024 WeakPolarHBondContact O-CA 3.35Å; V935-I1024 HydrophobicContact CB-CG2 4.22Å; V935-I1024 HydrophobicContact CG1-CG2 3.69Å; I945-I1024 HydrophobicContact CD1-CD1 4.02Å; I945-I1024 HydrophobicContact CD1-CG2 4.18Å; I945-I1024 HydrophobicContact CG2-CG1 4.22Å; I945-I1024 HydrophobicContact CG2-CG2 3.99Å; F979-I1024 HydrophobicContact CB-CD1 4.31Å; F979-I1024 HydrophobicContact CD1-CD1 3.83Å; F979-I1024 HydrophobicContact CD2-CD1 3.74Å; F979-I1024 HydrophobicContact CE1-CD1 4.03Å; F979-I1024 HydrophobicContact CE1-CG2 4.15Å; F979-I1024 HydrophobicContact CE2-CD1 3.96Å; F979-I1024 HydrophobicContact CG-CD1 3.66Å; F979-I1024 HydrophobicContact CZ-CB 4.49Å; F979-I1024 HydrophobicContact CZ-CD1 4.09Å; F979-I1024 HydrophobicContact CZ-CG2 3.96Å; V988-I1024 HydrophobicContact CG1-CD1 4.32Å; I1001-I1024 CarbonylContact C-O 3.6Å; I1001-I1024 WeakPolarHBondContact CA-O 3.39Å; F1002-I1024 HydrophobicContact CB-CB 4.22Å; F1002-I1024 PolarHBondContact N-O 2.79Å; F1002-I1024 PolarHBondContact O-N 2.86Å; L1004-I1024 HydrophobicContact CB-CD1 4.32Å; L1004-I1024 HydrophobicContact CD2-CD1 4.28Å; V1022-I1024 HydrophobicContact CG1-CD1 4.39Å; V1022-I1024 HydrophobicContact CG1-CG1 3.89Å
1025L83.6Confident81.3Confident53 Ų5345.4 Ų45.428%0.27724%0.243SC..EExtended strand (participates in β ladder)trans-95.7126.6175.5175.366.9000109.8G933 M934 V935 I1001G933-L1025 PolarHBondContact O-N 2.82Å; M934-L1025 WeakPolarHBondContact CA-O 3.45Å; M934-L1025 HydrophobicContact CE-CD2 3.85Å; M934-L1025 HydrophobicContact CG-CB 4.39Å; V935-L1025 PolarHBondContact N-O 2.88Å; I1001-L1025 HydrophobicContact CD1-CD1 4.31Å; I1001-L1025 HydrophobicContact CG1-CD1 3.63Å
1026V81.4Confident80.9Confident0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-79.8121168.4-177.60000108.8V935 P937 L994 E996 T999 T1000 F1002V935-V1026 HydrophobicContact CG1-CG2 3.92Å; V935-V1026 WeakPolarHBondContact O-CA 3.32Å; P937-V1026 HydrophobicContact CB-CG1 3.61Å; P937-V1026 HydrophobicContact CG-CG1 4.37Å; L994-V1026 HydrophobicContact CD2-CG2 4.1Å; E996-V1026 HydrophobicContact CB-CG2 4.21Å; T999-V1026 VanDerWaalsContact CA-O 3.23Å; T999-V1026 WeakPolarHBondContact CA-O 3.42Å; T999-V1026 PolarHBondContact N-O 2.83Å; T1000-V1026 PolarHBondContact O-N 2.69Å; T1000-V1026 VanDerWaalsContact OG1-CB 3.3Å; T1000-V1026 WeakPolarHBondContact OG1-CB 3.23Å; T1000-V1026 WeakPolarHBondContact OG1-CG2 3.37Å; F1002-V1026 HydrophobicContact CD2-CG2 4.06Å; F1002-V1026 HydrophobicContact CE2-CG2 3.62Å
1027L75.9Confident80.3Confident6 Ų647.7 Ų47.73%0.03125%0.253CS..PPolyproline II helixtrans-74.2152.8-176.8-75.2169.9000112.5M934 V935 P937 E1031 I1032 V1121M934-L1027 HydrophobicContact CB-CD1 4.08Å; M934-L1027 HydrophobicContact CB-CG 4.28Å; M934-L1027 HydrophobicContact CE-CD2 3.64Å; M934-L1027 HydrophobicContact CG-CD2 4.41Å; M934-L1027 HydrophobicContact CG-CG 4.46Å; M934-L1027 HydrophobicContact SD-CD1 4.42Å; M934-L1027 HydrophobicContact SD-CD2 4.08Å; V935-L1027 PolarHBondContact O-N 2.65Å; P937-L1027 VanDerWaalsContact CD-O 3.32Å; P937-L1027 WeakPolarHBondContact CD-O 3.41Å; L1027-E1031 WeakPolarHBondContact CD2-OE2 3.37Å; L1027-I1032 HydrophobicContact CB-CD1 4.39Å; L1027-I1032 HydrophobicContact CB-CG1 4.25Å; L1027-I1032 HydrophobicContact CD1-CG1 4.3Å; L1027-V1121 HydrophobicContact CD1-CB 4.09Å; L1027-V1121 HydrophobicContact CD1-CG1 3.59Å; L1027-V1121 HydrophobicContact CD1-CG2 3.34Å
1028H75.1Confident79.2Confident91 Ų9152.6 Ų52.642%0.42127%0.269SS..PPolyproline II helixtrans-73.1135.8167.4-160.7-82000109.8P998 G1030 E1031P998-H1028 HydrophobicContact CB-CB 4.22Å; P998-H1028 VanDerWaalsContact CB-CD2 3.43Å; P998-H1028 WeakPolarHBondContact CB-CD2 3.21Å; H1028-G1030 PolarHBondContact ND1-N 3.14Å; H1028-G1030 PolarHBondContact O-N 3.39Å; H1028-E1031 HydrophobicContact CB-CG 4.14Å; H1028-E1031 PolarHBondContact N-OE2 3.1Å; H1028-E1031 WeakPolarHBondContact O-CB 3.44Å; H1028-E1031 PolarHBondContact O-N 2.8Å
1029P68.1Low78.2Confident64 Ų6455.8 Ų55.842%0.41628%0.28SS..THydrogen-bonded Turntrans-54-26-179-27.832.3000114.6P937 P998P937-P1029 HydrophobicContact CG-CG 3.86Å; P998-P1029 HydrophobicContact CG-CG 4.49Å
1030G68.4Low77.5Confident17 Ų1752.6 Ų52.618%0.17526%0.256CS..THydrogen-bonded Turntrans-77.4-16.9177.100000115.2H1028 I1063H1028-G1030 PolarHBondContact ND1-N 3.14Å; H1028-G1030 PolarHBondContact O-N 3.39Å; G1030-I1063 WeakPolarHBondContact O-CB 3.24Å; G1030-I1063 PolarHBondContact O-N 3.03Å
1031E67.9Low76.7Confident67 Ų6760.6 Ų60.631%0.31329%0.285SS..THydrogen-bonded Turntrans-86.3-16.3177.1-66.2171.5173.400111.8L1027 H1028 P1033 Q1065L1027-E1031 WeakPolarHBondContact CD2-OE2 3.37Å; H1028-E1031 HydrophobicContact CB-CG 4.14Å; H1028-E1031 PolarHBondContact N-OE2 3.1Å; H1028-E1031 WeakPolarHBondContact O-CB 3.44Å; H1028-E1031 PolarHBondContact O-N 2.8Å; E1031-P1033 WeakPolarHBondContact O-CD 3.46Å; E1031-Q1065 PolarHBondContact O-OE1 3.39Å
1032I70.7Confident76Confident20 Ų2059.5 Ų59.510%0.10328%0.279CS..SBendtrans-82.8118.5179.5-55.1173.9000108.7A936 L1027 R1034 V1121A936-I1032 HydrophobicContact CB-CD1 3.66Å; L1027-I1032 HydrophobicContact CB-CD1 4.39Å; L1027-I1032 HydrophobicContact CB-CG1 4.25Å; L1027-I1032 HydrophobicContact CD1-CG1 4.3Å; I1032-R1034 PolarHBondContact O-N 2.88Å; I1032-V1121 HydrophobicContact CG1-CG1 4.33Å; I1032-V1121 HydrophobicContact CG2-CG1 4.45Å
1033P75.3Confident75.3Confident4 Ų463.8 Ų63.83%0.02631%0.307CS..  trans-61126.3178.3-20.131.6000111.7E1031 A1060 A1062 I1067 A1109E1031-P1033 WeakPolarHBondContact O-CD 3.46Å; P1033-A1060 HydrophobicContact CB-CB 4.32Å; P1033-A1062 HydrophobicContact CB-CB 4.24Å; P1033-A1062 HydrophobicContact CG-CB 4.11Å; P1033-I1067 HydrophobicContact CB-CD1 4.33Å; P1033-I1067 HydrophobicContact CB-CG1 4.34Å; P1033-I1067 HydrophobicContact CB-CG2 4.39Å; P1033-I1067 HydrophobicContact CG-CG1 4.44Å; P1033-A1109 HydrophobicContact CB-CB 4.11Å
1034R73.5Confident74.8Confident139 Ų13962.6 Ų62.653%0.52531%0.313SS..EExtended strand (participates in β ladder)trans-113.7129172.2-75.9-174.4176.8-130-2.5110.1I1032 T1036 A1060 A1061I1032-R1034 PolarHBondContact O-N 2.88Å; R1034-T1036 PolarHBondContact O-N 2.88Å; R1034-A1060 CarbonylContact O-C 3.51Å; R1034-A1060 WeakPolarHBondContact O-CA 3.42Å; R1034-A1060 WeakPolarHBondContact O-CB 3.23Å; R1034-A1061 PolarHBondContact N-O 2.86Å; R1034-A1061 PolarHBondContact O-N 3.45Å
1035F77.9Confident74.3Confident22 Ų2263.2 Ų63.210%0.09632%0.317CS..EExtended strand (participates in β ladder)trans-57.1137.1170-71.6-74.3000110.5Q1037 Y1040 I1058 A1060 Y1069 V1107 A1109 K1124 L1126F1035-Q1037 PolarHBondContact O-N 3.33Å; F1035-Y1040 HydrophobicContact CB-CE2 4.47Å; F1035-Y1040 HydrophobicContact CD1-CE2 4.28Å; F1035-I1058 HydrophobicContact CE1-CB 4.41Å; F1035-I1058 HydrophobicContact CE1-CD1 3.93Å; F1035-I1058 HydrophobicContact CE1-CG1 4.45Å; F1035-I1058 HydrophobicContact CZ-CD1 4.5Å; F1035-A1060 HydrophobicContact CD1-CB 3.96Å; F1035-A1060 HydrophobicContact CE1-CB 4.26Å; F1035-A1060 HydrophobicContact CG-CB 4.35Å; F1035-Y1069 HydrophobicContact CE1-CD1 4.15Å; F1035-Y1069 HydrophobicContact CE1-CE1 4.1Å; F1035-V1107 HydrophobicContact CE1-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CG2 4.02Å; F1035-A1109 HydrophobicContact CE1-CB 3.85Å; F1035-A1109 HydrophobicContact CE2-CB 4Å; F1035-A1109 HydrophobicContact CZ-CB 3.51Å; F1035-K1124 WeakPolarHBondContact CD2-O 3.26Å; F1035-K1124 VanDerWaalsContact CE2-O 3.23Å; F1035-K1124 WeakPolarHBondContact CE2-O 3.29Å; F1035-L1126 HydrophobicContact CB-CD1 4.21Å; F1035-L1126 HydrophobicContact CD2-CB 3.92Å; F1035-L1126 HydrophobicContact CD2-CD1 4.35Å; F1035-L1126 HydrophobicContact CE2-CB 4.17Å; F1035-L1126 HydrophobicContact CG-CB 4.34Å
1036T77.5Confident74Confident80 Ų8063.3 Ų63.349%0.49132%0.322SS..SBendtrans-74-16.9-176.960.30000112.5R1034 Y1040 S1059 A1061R1034-T1036 PolarHBondContact O-N 2.88Å; T1036-Y1040 PolarHBondContact OG1-OH 2.82Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.09Å; T1036-S1059 PolarHBondContact N-O 3.04Å; T1036-S1059 PolarHBondContact OG1-O 2.69Å; T1036-S1059 VanDerWaalsContact OG1-O 3.1Å; T1036-S1059 PolarHBondContact OG1-OG 3.39Å; T1036-A1061 HydrophobicContact CG2-CB 4.28Å
1037Q74.5Confident73.9Confident103 Ų10365.1 Ų65.148%0.48133%0.33SS..SBendtrans-125.3147.6177.1-55.2-174.3-102.200110.7F1035 Y1040F1035-Q1037 PolarHBondContact O-N 3.33Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.38Å; Q1037-Y1040 HydrophobicContact CB-CE1 4.24Å; Q1037-Y1040 HydrophobicContact CB-CE2 3.85Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.12Å
1038E68.1Low74Confident166 Ų16671.4 Ų71.478%0.77636%0.364SS*.SBendtrans-77.4-27.7176.6-65.9-164.5149.800113.2L1126E1038-L1126 VanDerWaalsContact O-CD1 3.3Å; E1038-L1126 WeakPolarHBondContact O-CD1 3.32Å; E1038-L1126 WeakPolarHBondContact O-CD2 3.26Å; E1038-L1126 WeakPolarHBondContact O-CG 3.16Å
1039E68.1Low74.1Confident99 Ų9967.8 Ų67.846%0.46335%0.349SS..  trans-143.5135.5175.2-68.1-174171.300109.7R1041 I1129E1039-R1041 IonicContact OE2-CZ 2.73Å; E1039-R1041 IonicContact OE2-NE 3.58Å; E1039-R1041 PolarHBondContact OE2-NE 3.24Å; E1039-R1041 IonicContact OE2-NH2 2.92Å; E1039-R1041 PolarHBondContact OE2-NH2 3.4Å; E1039-I1129 HydrophobicContact CB-CD1 4.05Å; E1039-I1129 HydrophobicContact CG-CD1 3.78Å; E1039-I1129 WeakPolarHBondContact OE1-CD1 3.46Å; E1039-I1129 WeakPolarHBondContact OE2-CD1 3.31Å
1040Y76Confident74.8Confident15 Ų1568 Ų686%0.05936%0.357CS..  trans-104.8124167.5-69.7-94.7000108.8F1035 T1036 Q1037 V1057 I1058 S1059 L1126 V1128 I1129F1035-Y1040 HydrophobicContact CB-CE2 4.47Å; F1035-Y1040 HydrophobicContact CD1-CE2 4.28Å; T1036-Y1040 PolarHBondContact OG1-OH 2.82Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.09Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.38Å; Q1037-Y1040 HydrophobicContact CB-CE1 4.24Å; Q1037-Y1040 HydrophobicContact CB-CE2 3.85Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.12Å; Y1040-V1057 WeakPolarHBondContact CD1-O 3.35Å; Y1040-V1057 WeakPolarHBondContact CE1-O 3.43Å; Y1040-I1058 HydrophobicContact CD1-CG2 3.96Å; Y1040-I1058 HydrophobicContact CD2-CB 4.46Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.85Å; Y1040-I1058 HydrophobicContact CE1-CB 4.29Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.22Å; Y1040-I1058 HydrophobicContact CE2-CB 4.24Å; Y1040-I1058 HydrophobicContact CE2-CG2 4.14Å; Y1040-I1058 HydrophobicContact CG-CG2 3.79Å; Y1040-S1059 PolarHBondContact OH-N 3.26Å; Y1040-S1059 VanDerWaalsContact OH-N 3.11Å; Y1040-S1059 PolarHBondContact OH-O 2.86Å; Y1040-L1126 HydrophobicContact CD2-CD2 3.41Å; Y1040-L1126 VanDerWaalsContact CD2-CD2 3.41Å; Y1040-L1126 HydrophobicContact CE2-CD2 3.8Å; Y1040-V1128 WeakPolarHBondContact O-CG1 3.28Å; Y1040-I1129 PolarHBondContact O-N 3.12Å
1041R73.3Confident75.6Confident171 Ų17175.4 Ų75.465%0.64538%0.379SS*.  trans-121.490.8175.5-74-179.2-166.4-117.53.2109.1E1039 I1129E1039-R1041 IonicContact OE2-CZ 2.73Å; E1039-R1041 IonicContact OE2-NE 3.58Å; E1039-R1041 PolarHBondContact OE2-NE 3.24Å; E1039-R1041 IonicContact OE2-NH2 2.92Å; E1039-R1041 PolarHBondContact OE2-NH2 3.4Å; R1041-I1129 HydrophobicContact CG-CB 3.75Å; R1041-I1129 HydrophobicContact CG-CD1 4.38Å; R1041-I1129 HydrophobicContact CG-CG2 3.7Å; R1041-I1129 VanDerWaalsContact NH2-CD1 3.25Å
1042P75.1Confident76.4Confident23 Ų2374.5 Ų74.515%0.14939%0.388CS..PPolyproline II helixtrans-68.6155178-6.621.8000111V1055 V1128P1042-V1055 HydrophobicContact CB-CG1 4.03Å; P1042-V1055 WeakPolarHBondContact CB-O 3.5Å; P1042-V1055 HydrophobicContact CG-CG1 4.27Å; P1042-V1128 HydrophobicContact CG-CG1 3.88Å
1043P76.3Confident77Confident90 Ų9076 Ų7658%0.58440%0.398SS*.PPolyproline II helixtrans-63.3157.5174.324.8-31.1000112V1045P1043-V1045 PolarHBondContact O-N 2.82Å
1044P76.5Confident77.5Confident84 Ų8480 Ų8055%0.54542%0.422SS..PPolyproline II helixtrans-49.7130.7168.8-31.638.9000112.3S1132P1044-S1132 WeakPolarHBondContact CA-O 3.48Å; P1044-S1132 WeakPolarHBondContact CB-O 3.33Å
1045V76.3Confident77.9Confident14 Ų1473.7 Ų73.79%0.08540%0.399CS..  trans-107.9152.7173.6165.70000108P1043 A1049 V1055 V1091 L1095 W1133P1043-V1045 PolarHBondContact O-N 2.82Å; V1045-A1049 HydrophobicContact CG1-CB 3.69Å; V1045-V1055 HydrophobicContact CG2-CB 4.38Å; V1045-V1055 HydrophobicContact CG2-CG1 4.16Å; V1045-V1055 HydrophobicContact CG2-CG2 4.25Å; V1045-V1091 HydrophobicContact CG1-CG2 4.01Å; V1045-L1095 HydrophobicContact CG1-CD1 4.38Å; V1045-W1133 HydrophobicContact CB-CE3 3.44Å; V1045-W1133 VanDerWaalsContact CB-CE3 3.44Å; V1045-W1133 HydrophobicContact CB-CH2 4.33Å; V1045-W1133 HydrophobicContact CB-CZ3 3.23Å; V1045-W1133 HydrophobicContact CG1-CE3 3.74Å; V1045-W1133 HydrophobicContact CG1-CZ3 3.45Å; V1045-W1133 VanDerWaalsContact CG1-CZ3 3.45Å; V1045-W1133 HydrophobicContact CG2-CZ3 4.17Å; V1045-W1133 VanDerWaalsContact O-CA 3.25Å; V1045-W1133 WeakPolarHBondContact O-CA 3.42Å; V1045-W1133 WeakPolarHBondContact O-CB 3.34Å
1046S78.7Confident78.1Confident54 Ų5473.4 Ų73.438%0.37840%0.402SS..  trans-77.5146.8-178.6-172.70000110.9L1048 A1049S1046-L1048 PolarHBondContact O-N 2.85Å; S1046-L1048 PolarHBondContact OG-N 2.85Å; S1046-A1049 WeakPolarHBondContact O-CB 3.35Å; S1046-A1049 PolarHBondContact O-N 2.83Å; S1046-A1049 VanDerWaalsContact O-N 3.09Å
1047E78.2Confident78.5Confident38 Ų3873.3 Ų73.318%0.17840%0.401CS..THydrogen-bonded Turntrans-62.7-32167.873.1-166.8150.300111.3A1049 Y1097E1047-A1049 PolarHBondContact O-N 2.72Å; E1047-Y1097 VanDerWaalsContact OE2-CB 3.24Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.19Å
1048L78.1Confident78.9Confident139 Ų13968.5 Ų68.573%0.72838%0.379SS*.THydrogen-bonded Turntrans-79.910.2175.3-59.8173.7000112.7S1046 A1050S1046-L1048 PolarHBondContact O-N 2.85Å; S1046-L1048 PolarHBondContact OG-N 2.85Å; L1048-A1050 PolarHBondContact O-N 2.97Å
1049A77Confident79.6Confident14 Ų1462.9 Ų62.912%0.11636%0.358CS..PPolyproline II helixtrans-65.2125.6177.400000110.1V1045 S1046 E1047 T1053 V1091V1045-A1049 HydrophobicContact CG1-CB 3.69Å; S1046-A1049 WeakPolarHBondContact O-CB 3.35Å; S1046-A1049 PolarHBondContact O-N 2.83Å; S1046-A1049 VanDerWaalsContact O-N 3.09Å; E1047-A1049 PolarHBondContact O-N 2.72Å; A1049-T1053 HydrophobicContact CB-CG2 4.18Å; A1049-V1091 HydrophobicContact CB-CG2 4.37Å
1050A83.7Confident80.2Confident70 Ų7058.7 Ų58.758%0.57934%0.34SS*.PPolyproline II helixtrans-64.7153.5174.900000111L1048 G1052 T1053L1048-A1050 PolarHBondContact O-N 2.97Å; A1050-G1052 PolarHBondContact O-N 3.17Å; A1050-T1053 WeakPolarHBondContact O-CB 3.44Å; A1050-T1053 PolarHBondContact O-N 3.04Å; A1050-T1053 VanDerWaalsContact O-N 3.15Å; A1050-T1053 PolarHBondContact O-OG1 3.24Å
1051R84.6Confident80.2Confident172 Ų17260.9 Ų60.965%0.64936%0.361SS*.THydrogen-bonded Turntrans-53.9133.7169.5-65.9-174.7-177-155.23.3109.5V1091 N1092R1051-V1091 CarbonylContact C-O 3.53Å; R1051-V1091 WeakPolarHBondContact CA-O 3.41Å; R1051-N1092 WeakPolarHBondContact CD-O 3.35Å; R1051-N1092 WeakPolarHBondContact CG-O 3.5Å; R1051-N1092 PolarHBondContact NE-O 2.74Å
1052G84.2Confident80.1Confident47 Ų4753.7 Ų53.749%0.48534%0.338SS..THydrogen-bonded Turntrans97.4-6.2-17500000115.1A1050 V1054 V1091A1050-G1052 PolarHBondContact O-N 3.17Å; G1052-V1054 PolarHBondContact O-N 3.48Å; G1052-V1091 PolarHBondContact N-O 3.41Å
1053T84.3Confident80Confident52 Ų5257.9 Ų57.932%0.31936%0.359SS..  trans-63.3124.7178.4-55.40000110.8A1049 A1050 V1055 Y1090 V1091A1049-T1053 HydrophobicContact CB-CG2 4.18Å; A1050-T1053 WeakPolarHBondContact O-CB 3.44Å; A1050-T1053 PolarHBondContact O-N 3.04Å; A1050-T1053 VanDerWaalsContact O-N 3.15Å; A1050-T1053 PolarHBondContact O-OG1 3.24Å; T1053-V1055 PolarHBondContact O-N 2.83Å; T1053-Y1090 CarbonylContact O-C 3.58Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.47Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.06Å; T1053-V1091 PolarHBondContact O-N 2.97Å
1054V85.2Confident79.6Confident89 Ų8961.4 Ų61.454%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-71121.5179.9176.90000110.2G1052 V1088G1052-V1054 PolarHBondContact O-N 3.48Å; V1054-V1088 HydrophobicContact CB-CG1 4.43Å; V1054-V1088 HydrophobicContact CG1-CG1 3.75Å; V1054-V1088 HydrophobicContact CG2-CG1 3.95Å
1055V82Confident79.3Confident5 Ų559.3 Ų59.33%0.0336%0.356CS..EExtended strand (participates in β ladder)trans-88-48.2179.3-178.70000110.1P1042 V1045 T1053 F1080 I1089 V1091 C1131P1042-V1055 HydrophobicContact CB-CG1 4.03Å; P1042-V1055 WeakPolarHBondContact CB-O 3.5Å; P1042-V1055 HydrophobicContact CG-CG1 4.27Å; V1045-V1055 HydrophobicContact CG2-CB 4.38Å; V1045-V1055 HydrophobicContact CG2-CG1 4.16Å; V1045-V1055 HydrophobicContact CG2-CG2 4.25Å; T1053-V1055 PolarHBondContact O-N 2.83Å; V1055-F1080 HydrophobicContact CG2-CD1 3.95Å; V1055-F1080 HydrophobicContact CG2-CE1 4.01Å; V1055-I1089 HydrophobicContact CB-CG2 4.2Å; V1055-I1089 PolarHBondContact N-O 3.28Å; V1055-V1091 HydrophobicContact CG2-CG2 3.78Å; V1055-C1131 WeakPolarHBondContact CG1-SG 3.18Å
1056G82.6Confident79.5Confident16 Ų1662 Ų6217%0.16538%0.375CS..EExtended strand (participates in β ladder)trans-174.9174.6-178.200000112.1I1089G1056-I1089 PolarHBondContact N-O 3.45Å; G1056-I1089 PolarHBondContact O-N 2.85Å
1057V84.8Confident79.5Confident79 Ų7960.7 Ų60.748%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-129.2128.3179-1720000109.1Y1040 G1087 V1088Y1040-V1057 WeakPolarHBondContact CD1-O 3.35Å; Y1040-V1057 WeakPolarHBondContact CE1-O 3.43Å; V1057-G1087 WeakPolarHBondContact CA-O 3.43Å; V1057-V1088 HydrophobicContact CG1-CG2 4.17Å; V1057-V1088 HydrophobicContact CG2-CB 4.43Å; V1057-V1088 HydrophobicContact CG2-CG1 4.46Å; V1057-V1088 HydrophobicContact CG2-CG2 3.87Å
1058I83.2Confident79.6Confident2 Ų260.2 Ų60.21%0.0136%0.363CS..  trans-102.4146.8172.362.8175.4000110.2F1035 Y1040 Y1069 I1082 G1087 I1089 V1107 V1128F1035-I1058 HydrophobicContact CE1-CB 4.41Å; F1035-I1058 HydrophobicContact CE1-CD1 3.93Å; F1035-I1058 HydrophobicContact CE1-CG1 4.45Å; F1035-I1058 HydrophobicContact CZ-CD1 4.5Å; Y1040-I1058 HydrophobicContact CD1-CG2 3.96Å; Y1040-I1058 HydrophobicContact CD2-CB 4.46Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.85Å; Y1040-I1058 HydrophobicContact CE1-CB 4.29Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.22Å; Y1040-I1058 HydrophobicContact CE2-CB 4.24Å; Y1040-I1058 HydrophobicContact CE2-CG2 4.14Å; Y1040-I1058 HydrophobicContact CG-CG2 3.79Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.86Å; I1058-Y1069 HydrophobicContact CD1-CG 4.43Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.92Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.34Å; I1058-Y1069 HydrophobicContact CG1-CG 4.43Å; I1058-I1082 HydrophobicContact CD1-CD1 3.42Å; I1058-I1082 VanDerWaalsContact CD1-CD1 3.42Å; I1058-I1082 HydrophobicContact CG1-CD1 3.9Å; I1058-G1087 WeakPolarHBondContact CG1-O 3.46Å; I1058-G1087 PolarHBondContact N-O 2.8Å; I1058-I1089 HydrophobicContact CG2-CD1 4.13Å; I1058-V1107 HydrophobicContact CD1-CB 3.65Å; I1058-V1107 HydrophobicContact CD1-CG1 3.93Å; I1058-V1107 HydrophobicContact CD1-CG2 3.6Å; I1058-V1128 HydrophobicContact CG2-CG2 4.24Å
1059S83.4Confident80Confident47 Ų4754.5 Ų54.533%0.32933%0.332SS..  trans-140.3134176.767.80000111.6T1036 Y1040 Y1069T1036-S1059 PolarHBondContact N-O 3.04Å; T1036-S1059 PolarHBondContact OG1-O 2.69Å; T1036-S1059 VanDerWaalsContact OG1-O 3.1Å; T1036-S1059 PolarHBondContact OG1-OG 3.39Å; Y1040-S1059 PolarHBondContact OH-N 3.26Å; Y1040-S1059 VanDerWaalsContact OH-N 3.11Å; Y1040-S1059 PolarHBondContact OH-O 2.86Å; S1059-Y1069 WeakPolarHBondContact CA-OH 3.22Å
1060A79.9Confident80.3Confident12 Ų1255.8 Ų55.810%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-117.3158.5170.500000109.8P1033 R1034 F1035 I1067 Y1069 A1109P1033-A1060 HydrophobicContact CB-CB 4.32Å; R1034-A1060 CarbonylContact O-C 3.51Å; R1034-A1060 WeakPolarHBondContact O-CA 3.42Å; R1034-A1060 WeakPolarHBondContact O-CB 3.23Å; F1035-A1060 HydrophobicContact CD1-CB 3.96Å; F1035-A1060 HydrophobicContact CE1-CB 4.26Å; F1035-A1060 HydrophobicContact CG-CB 4.35Å; A1060-I1067 HydrophobicContact CB-CD1 4.1Å; A1060-I1067 HydrophobicContact CB-CG2 4.29Å; A1060-I1067 WeakPolarHBondContact O-CD1 3.35Å; A1060-Y1069 HydrophobicContact CB-CE1 3.9Å; A1060-Y1069 PolarHBondContact N-OH 2.75Å; A1060-Y1069 PolarHBondContact O-OH 2.82Å; A1060-A1109 HydrophobicContact CB-CB 3.59Å
1061A76Confident80.4Confident60 Ų6054.2 Ų54.250%0.49632%0.321SS..EExtended strand (participates in β ladder)trans-125.9134.5176.200000109.9R1034 T1036R1034-A1061 PolarHBondContact N-O 2.86Å; R1034-A1061 PolarHBondContact O-N 3.45Å; T1036-A1061 HydrophobicContact CG2-CB 4.28Å
1062A72.4Confident80.1Confident20 Ų2049.6 Ų49.617%0.16531%0.312CS..  trans-138.8143.3171.800000107.1P1033 N1064 Q1065 I1067P1033-A1062 HydrophobicContact CB-CB 4.24Å; P1033-A1062 HydrophobicContact CG-CB 4.11Å; A1062-N1064 PolarHBondContact O-N 2.9Å; A1062-Q1065 HydrophobicContact CB-CB 4.15Å; A1062-I1067 HydrophobicContact CB-CD1 4.1Å; A1062-I1067 HydrophobicContact CB-CG1 4.21Å
1063I72.4Confident79.8Confident112 Ų11249.7 Ų49.757%0.57431%0.308SS*.THydrogen-bonded Turntrans-73.4123.7-179-62.2176.7000108.8G1030 Q1065G1030-I1063 WeakPolarHBondContact O-CB 3.24Å; G1030-I1063 PolarHBondContact O-N 3.03Å; I1063-Q1065 PolarHBondContact O-N 3Å; I1063-Q1065 VanDerWaalsContact O-N 3.14Å
1064N68Low79.5Confident164 Ų16447.7 Ų47.788%0.87730%0.298SS*.THydrogen-bonded Turntrans5724174.3-61-26.6000115.8A1062A1062-N1064 PolarHBondContact O-N 2.9Å
1065Q71.3Confident79.6Confident40 Ų4044.5 Ų44.519%0.18728%0.278CS..  trans-125.3141.5178.3-67.1-168.5-16.100111.4E1031 A1062 I1063 S1111E1031-Q1065 PolarHBondContact O-OE1 3.39Å; A1062-Q1065 HydrophobicContact CB-CB 4.15Å; I1063-Q1065 PolarHBondContact O-N 3Å; I1063-Q1065 VanDerWaalsContact O-N 3.14Å; Q1065-S1111 PolarHBondContact OE1-OG 3.44Å
1066S79.6Confident79.3Confident71 Ų7148.3 Ų48.350%0.49730%0.296SS..  trans-77.3133.2167.844.70000109.3S1111 L1112S1066-S1111 CarbonylContact O-C 3.45Å; S1066-S1111 WeakPolarHBondContact O-CA 3.23Å; S1066-L1112 PolarHBondContact O-N 2.88Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.35Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.35Å
1067I78.6Confident79Confident26 Ų2654.5 Ų54.513%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-104.9136.7-174.3-59.5167.9000109.1P1033 A1060 A1062 Y1069 A1109 D1110P1033-I1067 HydrophobicContact CB-CD1 4.33Å; P1033-I1067 HydrophobicContact CB-CG1 4.34Å; P1033-I1067 HydrophobicContact CB-CG2 4.39Å; P1033-I1067 HydrophobicContact CG-CG1 4.44Å; A1060-I1067 HydrophobicContact CB-CD1 4.1Å; A1060-I1067 HydrophobicContact CB-CG2 4.29Å; A1060-I1067 WeakPolarHBondContact O-CD1 3.35Å; A1062-I1067 HydrophobicContact CB-CD1 4.1Å; A1062-I1067 HydrophobicContact CB-CG1 4.21Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.44Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.95Å; I1067-Y1069 HydrophobicContact CG2-CE2 4.12Å; I1067-A1109 HydrophobicContact CG2-CB 3.81Å; I1067-D1110 CarbonylContact C-O 3.57Å; I1067-D1110 WeakPolarHBondContact CA-O 3.4Å
1068V81.2Confident79Confident27 Ų2755.8 Ų55.816%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-112.3124.9175.3-174.40000108.4N1084 A1109 D1110 L1112 V1115V1068-N1084 CarbonylContact C-O 3.5Å; V1068-N1084 VanDerWaalsContact CA-O 3.31Å; V1068-N1084 WeakPolarHBondContact CA-O 3.43Å; V1068-N1084 HydrophobicContact CG1-CB 4Å; V1068-A1109 WeakPolarHBondContact O-CA 3.37Å; V1068-D1110 PolarHBondContact N-O 3.39Å; V1068-D1110 PolarHBondContact O-N 3.33Å; V1068-L1112 HydrophobicContact CG2-CB 4.22Å; V1068-L1112 HydrophobicContact CG2-CD1 3.57Å; V1068-V1115 HydrophobicContact CB-CG2 4.11Å; V1068-V1115 HydrophobicContact CG2-CG2 4.27Å
1069Y85.1Confident79Confident19 Ų1957.1 Ų57.18%0.07533%0.33CS..EExtended strand (participates in β ladder)trans-97140.1177.4-57.3-83.3000111.1F1035 I1058 S1059 A1060 I1067 N1084 Q1108 A1109F1035-Y1069 HydrophobicContact CE1-CD1 4.15Å; F1035-Y1069 HydrophobicContact CE1-CE1 4.1Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.86Å; I1058-Y1069 HydrophobicContact CD1-CG 4.43Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.92Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.34Å; I1058-Y1069 HydrophobicContact CG1-CG 4.43Å; S1059-Y1069 WeakPolarHBondContact CA-OH 3.22Å; A1060-Y1069 HydrophobicContact CB-CE1 3.9Å; A1060-Y1069 PolarHBondContact N-OH 2.75Å; A1060-Y1069 PolarHBondContact O-OH 2.82Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.44Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.95Å; I1067-Y1069 HydrophobicContact CG2-CE2 4.12Å; Y1069-N1084 PolarHBondContact N-O 3.13Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.48Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; Y1069-Q1108 WeakPolarHBondContact CA-O 3.08Å; Y1069-A1109 HydrophobicContact CD1-CB 4Å; Y1069-A1109 HydrophobicContact CE1-CB 3.99Å
1070S84.2Confident79.2Confident42 Ų4255 Ų5529%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-142.6153.2173.663.10000111.3V1107 Q1108S1070-V1107 WeakPolarHBondContact O-CA 3.46Å; S1070-Q1108 PolarHBondContact N-O 2.88Å; S1070-Q1108 PolarHBondContact O-N 3.04Å
1071I84.3Confident79.5Confident36 Ų3654.9 Ų54.919%0.18532%0.315CS..EExtended strand (participates in β ladder)trans-94.2123.7168.3-59.7161.5000107.2N1075 F1080 I1082 L1105 V1107I1071-N1075 HydrophobicContact CG2-CB 3.7Å; I1071-F1080 HydrophobicContact CD1-CB 4.37Å; I1071-I1082 HydrophobicContact CD1-CB 3.88Å; I1071-I1082 HydrophobicContact CD1-CG2 3.98Å; I1071-I1082 HydrophobicContact CG1-CB 3.97Å; I1071-I1082 HydrophobicContact CG1-CG2 3.75Å; I1071-L1105 HydrophobicContact CG2-CD2 4.27Å; I1071-V1107 HydrophobicContact CG1-CG1 4.01Å
1072V78.6Confident80.2Confident75 Ų7553.3 Ų53.346%0.45530%0.298SS..EExtended strand (participates in β ladder)trans-106.6-21.9-175.8-81.10000113.3R1106 Q1108V1072-R1106 HydrophobicContact CG2-CB 4.3Å; V1072-R1106 HydrophobicContact CG2-CG 4.16Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.3Å; V1072-R1106 PolarHBondContact N-O 2.83Å; V1072-Q1108 HydrophobicContact CG1-CB 4.09Å; V1072-Q1108 HydrophobicContact CG2-CB 4.11Å
1073A79.1Confident80.9Confident49 Ų4955.4 Ų55.441%0.40531%0.306SS..EExtended strand (participates in β ladder)trans-159.5166.2174.400000112N1075 R1106A1073-N1075 VanDerWaalsContact C-N 3.32Å; A1073-R1106 HydrophobicContact CB-CB 4.02Å; A1073-R1106 PolarHBondContact N-O 3.02Å; A1073-R1106 PolarHBondContact O-N 3.36Å
1074G78.5Confident81.5Confident10 Ų1054.4 Ų54.410%0.10330%0.302CS..SBendtrans81.87.4175.600000115E1076 V1104 L1105G1074-E1076 WeakPolarHBondContact CA-OE1 3.36Å; G1074-V1104 WeakPolarHBondContact CA-O 3.34Å; G1074-L1105 VanDerWaalsContact O-CD2 3.31Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.26Å
1075N85.5Confident82.3Confident23 Ų2351.8 Ų51.812%0.12329%0.292CS..  trans-109.250178.8-167.637.2000111I1071 A1073 E1077 D1078 K1079 F1080 L1105I1071-N1075 HydrophobicContact CG2-CB 3.7Å; A1073-N1075 VanDerWaalsContact C-N 3.32Å; N1075-E1077 PolarHBondContact O-N 3.41Å; N1075-D1078 PolarHBondContact ND2-OD1 2.76Å; N1075-D1078 PolarHBondContact O-N 2.77Å; N1075-D1078 VanDerWaalsContact O-N 3.09Å; N1075-K1079 PolarHBondContact OD1-N 2.88Å; N1075-F1080 PolarHBondContact ND2-O 2.98Å; N1075-F1080 WeakPolarHBondContact OD1-CA 3.41Å; N1075-F1080 WeakPolarHBondContact OD1-CB 3.16Å; N1075-F1080 WeakPolarHBondContact OD1-CD2 3.43Å; N1075-F1080 PolarHBondContact OD1-N 2.73Å; N1075-F1080 PolarHBondContact OD1-O 3.14Å; N1075-L1105 HydrophobicContact CB-CD2 3.85Å
1076E75.8Confident82.9Confident85 Ų8553.3 Ų53.340%0.39730%0.304SS..G310 helixtrans-62138.5-179.4-58.877.3-161.800110.4G1074 D1078 R1100G1074-E1076 WeakPolarHBondContact CA-OE1 3.36Å; E1076-D1078 PolarHBondContact O-N 3.35Å; E1076-R1100 IonicContact OE1-NH2 3.22Å; E1076-R1100 IonicContact OE2-CZ 2.62Å; E1076-R1100 IonicContact OE2-NH1 3.34Å; E1076-R1100 PolarHBondContact OE2-NH1 3.17Å; E1076-R1100 IonicContact OE2-NH2 2.88Å; E1076-R1100 PolarHBondContact OE2-NH2 2.83Å
1077E77.2Confident83Confident146 Ų14649.9 Ų49.968%0.68228%0.28SS*.G310 helixtrans63.518.4-171.8-52.9177-170.200115.3N1075 K1079N1075-E1077 PolarHBondContact O-N 3.41Å; E1077-K1079 HydrophobicContact CB-CD 4.25Å; E1077-K1079 HydrophobicContact CB-CG 4.35Å; E1077-K1079 PolarHBondContact O-N 2.92Å; E1077-K1079 VanDerWaalsContact O-N 3.12Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.43Å; E1077-K1079 IonicContact OE2-NZ 3.15Å; E1077-K1079 PolarHBondContact OE2-NZ 3.21Å
1078D84Confident83.5Confident106 Ų10650.3 Ų50.357%0.56728%0.284SS*.G310 helixtrans49.240.8179.5-72.5-43.3000113.2N1075 E1076 F1080 N1092N1075-D1078 PolarHBondContact ND2-OD1 2.76Å; N1075-D1078 PolarHBondContact O-N 2.77Å; N1075-D1078 VanDerWaalsContact O-N 3.09Å; E1076-D1078 PolarHBondContact O-N 3.35Å; D1078-F1080 PolarHBondContact O-N 2.88Å; D1078-N1092 WeakPolarHBondContact O-CB 3.31Å; D1078-N1092 PolarHBondContact O-ND2 2.8Å
1079K83.6Confident83.8Confident30 Ų3049.2 Ų49.213%0.1328%0.277CS..  trans-62.7-29.1-179.7-65.1-55.3-169.4-167.80113.3N1075 E1077 N1092 S1093 L1095 Y1103N1075-K1079 PolarHBondContact OD1-N 2.88Å; E1077-K1079 HydrophobicContact CB-CD 4.25Å; E1077-K1079 HydrophobicContact CB-CG 4.35Å; E1077-K1079 PolarHBondContact O-N 2.92Å; E1077-K1079 VanDerWaalsContact O-N 3.12Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.43Å; E1077-K1079 IonicContact OE2-NZ 3.15Å; E1077-K1079 PolarHBondContact OE2-NZ 3.21Å; K1079-N1092 PolarHBondContact O-N 2.9Å; K1079-S1093 PolarHBondContact O-N 2.82Å; K1079-L1095 HydrophobicContact CB-CD2 3.99Å; K1079-L1095 HydrophobicContact CG-CD2 4.37Å; K1079-Y1103 HydrophobicContact CB-CE1 4.43Å; K1079-Y1103 HydrophobicContact CG-CE1 4.21Å; K1079-Y1103 WeakPolarHBondContact CG-OH 2.95Å
1080F87.4Confident84Confident3 Ų352 Ų521%0.01329%0.288CS..EExtended strand (participates in β ladder)trans-116.8144179-56.5-77.6000110.9V1055 I1071 N1075 D1078 I1089 Y1090 V1091 L1095 Y1103 L1105 W1133V1055-F1080 HydrophobicContact CG2-CD1 3.95Å; V1055-F1080 HydrophobicContact CG2-CE1 4.01Å; I1071-F1080 HydrophobicContact CD1-CB 4.37Å; N1075-F1080 PolarHBondContact ND2-O 2.98Å; N1075-F1080 WeakPolarHBondContact OD1-CA 3.41Å; N1075-F1080 WeakPolarHBondContact OD1-CB 3.16Å; N1075-F1080 WeakPolarHBondContact OD1-CD2 3.43Å; N1075-F1080 PolarHBondContact OD1-N 2.73Å; N1075-F1080 PolarHBondContact OD1-O 3.14Å; D1078-F1080 PolarHBondContact O-N 2.88Å; F1080-I1089 HydrophobicContact CB-CG2 4.17Å; F1080-I1089 HydrophobicContact CD1-CG2 4.48Å; F1080-Y1090 CarbonylContact C-O 3.6Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.42Å; F1080-V1091 HydrophobicContact CE1-CG2 4.41Å; F1080-L1095 HydrophobicContact CE1-CD1 4.33Å; F1080-L1095 HydrophobicContact CE1-CD2 4.17Å; F1080-L1095 HydrophobicContact CE2-CD2 4.31Å; F1080-L1095 HydrophobicContact CZ-CD1 4.39Å; F1080-L1095 HydrophobicContact CZ-CD2 3.65Å; F1080-Y1103 HydrophobicContact CD2-CD1 4.36Å; F1080-Y1103 HydrophobicContact CD2-CG 4.42Å; F1080-Y1103 AromaticContact CE2-CD1 3.72Å; F1080-Y1103 HydrophobicContact CE2-CD1 3.72Å; F1080-Y1103 AromaticContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CE1 4.14Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.12Å; F1080-Y1103 AromaticContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CE2-CG 3.48Å; F1080-Y1103 VanDerWaalsContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.01Å; F1080-Y1103 HydrophobicContact CZ-CE2 4.44Å; F1080-Y1103 HydrophobicContact CZ-CG 4.2Å; F1080-L1105 HydrophobicContact CB-CD1 4.14Å; F1080-L1105 HydrophobicContact CD2-CD1 4.15Å; F1080-L1105 HydrophobicContact CD2-CD2 3.93Å; F1080-L1105 HydrophobicContact CG-CD1 4.05Å; F1080-L1105 HydrophobicContact CG-CD2 4.5Å; F1080-W1133 AromaticContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CH2 3.4Å; F1080-W1133 VanDerWaalsContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CZ2 4.17Å; F1080-W1133 HydrophobicContact CE1-CZ3 4.11Å; F1080-W1133 HydrophobicContact CE2-CH2 4.47Å; F1080-W1133 HydrophobicContact CE2-CZ2 4.48Å; F1080-W1133 AromaticContact CZ-CH2 3.24Å; F1080-W1133 HydrophobicContact CZ-CH2 3.24Å; F1080-W1133 AromaticContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ3 4.19Å
1081G87.7Confident84.1Confident9 Ų950 Ų509%0.09327%0.274CS..EExtended strand (participates in β ladder)trans-110.7150.2167.400000109.4I1089 Y1090G1081-I1089 CarbonylContact O-C 3.55Å; G1081-I1089 VanDerWaalsContact O-CA 3.3Å; G1081-I1089 WeakPolarHBondContact O-CA 3.31Å; G1081-Y1090 PolarHBondContact N-O 3.11Å; G1081-Y1090 WeakPolarHBondContact O-CD1 3.38Å; G1081-Y1090 PolarHBondContact O-N 2.04Å
1082I89Confident84.3Confident27 Ų2751 Ų5114%0.13828%0.279CS..EExtended strand (participates in β ladder)trans-119.7134.2168.3-168.3166.3000109.3I1058 I1071 N1084 V1088 I1089I1058-I1082 HydrophobicContact CD1-CD1 3.42Å; I1058-I1082 VanDerWaalsContact CD1-CD1 3.42Å; I1058-I1082 HydrophobicContact CG1-CD1 3.9Å; I1071-I1082 HydrophobicContact CD1-CB 3.88Å; I1071-I1082 HydrophobicContact CD1-CG2 3.98Å; I1071-I1082 HydrophobicContact CG1-CB 3.97Å; I1071-I1082 HydrophobicContact CG1-CG2 3.75Å; I1082-N1084 PolarHBondContact O-N 2.97Å; I1082-V1088 CarbonylContact C-O 3.51Å; I1082-V1088 WeakPolarHBondContact CA-O 3.34Å; I1082-I1089 HydrophobicContact CB-CG1 4.34Å; I1082-I1089 HydrophobicContact CD1-CD1 4.41Å; I1082-I1089 HydrophobicContact CD1-CG1 3.85Å; I1082-I1089 HydrophobicContact CG1-CG1 3.95Å
1083N88.4Confident84.6Confident64 Ų6448.4 Ų48.434%0.34227%0.265SS..  trans-75.9113.8168.6-177.8-54.4000108.5V1085 T1086 G1087 V1088N1083-V1085 PolarHBondContact O-N 3.5Å; N1083-V1085 VanDerWaalsContact O-N 3.15Å; N1083-V1085 PolarHBondContact OD1-N 3.47Å; N1083-T1086 WeakPolarHBondContact CB-OG1 3.43Å; N1083-T1086 PolarHBondContact O-N 3.01Å; N1083-T1086 PolarHBondContact OD1-N 2.84Å; N1083-T1086 PolarHBondContact OD1-OG1 2.87Å; N1083-T1086 VanDerWaalsContact OD1-OG1 3.06Å; N1083-G1087 WeakPolarHBondContact O-CA 3.43Å; N1083-G1087 PolarHBondContact O-N 3.33Å; N1083-V1088 HydrophobicContact CB-CB 4.35Å; N1083-V1088 PolarHBondContact N-O 3.47Å
1084N85.2Confident84.7Confident91 Ų9149.8 Ų49.849%0.48727%0.27SS..THydrogen-bonded Turntrans-64.3-17.9-172.664.6-8.3000114.5V1068 Y1069 I1082V1068-N1084 CarbonylContact C-O 3.5Å; V1068-N1084 VanDerWaalsContact CA-O 3.31Å; V1068-N1084 WeakPolarHBondContact CA-O 3.43Å; V1068-N1084 HydrophobicContact CG1-CB 4Å; Y1069-N1084 PolarHBondContact N-O 3.13Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.48Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; I1082-N1084 PolarHBondContact O-N 2.97Å
1085V84.3Confident84.8Confident108 Ų10850 Ų5066%0.65527%0.268SS*.THydrogen-bonded Turntrans-97-42.9177-177.10000112N1083N1083-V1085 PolarHBondContact O-N 3.5Å; N1083-V1085 VanDerWaalsContact O-N 3.15Å; N1083-V1085 PolarHBondContact OD1-N 3.47Å
1086T84.6Confident84.5Confident72 Ų7252.3 Ų52.344%0.44228%0.281SS..THydrogen-bonded Turntrans-94.4-14.7-172.158.90000113.9N1083 V1088N1083-T1086 WeakPolarHBondContact CB-OG1 3.43Å; N1083-T1086 PolarHBondContact O-N 3.01Å; N1083-T1086 PolarHBondContact OD1-N 2.84Å; N1083-T1086 PolarHBondContact OD1-OG1 2.87Å; N1083-T1086 VanDerWaalsContact OD1-OG1 3.06Å; T1086-V1088 PolarHBondContact O-N 2.75Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.48Å
1087G81.8Confident84.5Confident0 Ų051.9 Ų51.90%028%0.276CS..  trans71.812.5-176.300000113.8V1057 I1058 N1083 I1089V1057-G1087 WeakPolarHBondContact CA-O 3.43Å; I1058-G1087 WeakPolarHBondContact CG1-O 3.46Å; I1058-G1087 PolarHBondContact N-O 2.8Å; N1083-G1087 WeakPolarHBondContact O-CA 3.43Å; N1083-G1087 PolarHBondContact O-N 3.33Å; G1087-I1089 PolarHBondContact O-N 3.21Å
1088V88.8Confident84.5Confident35 Ų3551.7 Ų51.721%0.21228%0.275CS..EExtended strand (participates in β ladder)trans-76.7120.2178.3179.90000109.7V1054 V1057 I1082 N1083 T1086V1054-V1088 HydrophobicContact CB-CG1 4.43Å; V1054-V1088 HydrophobicContact CG1-CG1 3.75Å; V1054-V1088 HydrophobicContact CG2-CG1 3.95Å; V1057-V1088 HydrophobicContact CG1-CG2 4.17Å; V1057-V1088 HydrophobicContact CG2-CB 4.43Å; V1057-V1088 HydrophobicContact CG2-CG1 4.46Å; V1057-V1088 HydrophobicContact CG2-CG2 3.87Å; I1082-V1088 CarbonylContact C-O 3.51Å; I1082-V1088 WeakPolarHBondContact CA-O 3.34Å; N1083-V1088 HydrophobicContact CB-CB 4.35Å; N1083-V1088 PolarHBondContact N-O 3.47Å; T1086-V1088 PolarHBondContact O-N 2.75Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.48Å
1089I87.6Confident84Confident3 Ų351.6 Ų51.62%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-92.1130.4172.7-57.6174.1000108.5V1055 G1056 I1058 F1080 G1081 I1082 G1087 L1105 V1107V1055-I1089 HydrophobicContact CB-CG2 4.2Å; V1055-I1089 PolarHBondContact N-O 3.28Å; G1056-I1089 PolarHBondContact N-O 3.45Å; G1056-I1089 PolarHBondContact O-N 2.85Å; I1058-I1089 HydrophobicContact CG2-CD1 4.13Å; F1080-I1089 HydrophobicContact CB-CG2 4.17Å; F1080-I1089 HydrophobicContact CD1-CG2 4.48Å; G1081-I1089 CarbonylContact O-C 3.55Å; G1081-I1089 VanDerWaalsContact O-CA 3.3Å; G1081-I1089 WeakPolarHBondContact O-CA 3.31Å; I1082-I1089 HydrophobicContact CB-CG1 4.34Å; I1082-I1089 HydrophobicContact CD1-CD1 4.41Å; I1082-I1089 HydrophobicContact CD1-CG1 3.85Å; I1082-I1089 HydrophobicContact CG1-CG1 3.95Å; G1087-I1089 PolarHBondContact O-N 3.21Å; I1089-L1105 HydrophobicContact CD1-CD1 4.34Å; I1089-L1105 HydrophobicContact CG2-CD1 4.01Å; I1089-V1107 HydrophobicContact CD1-CG1 4.47Å
1090Y89.1Confident83.4Confident77 Ų7754.6 Ų54.630%0.30229%0.289SS..EExtended strand (participates in β ladder)trans-135.4159.4-178.561.5-88.4000111.9T1053 F1080 G1081 N1092T1053-Y1090 CarbonylContact O-C 3.58Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.47Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.06Å; F1080-Y1090 CarbonylContact C-O 3.6Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.42Å; G1081-Y1090 PolarHBondContact N-O 3.11Å; G1081-Y1090 WeakPolarHBondContact O-CD1 3.38Å; G1081-Y1090 PolarHBondContact O-N 2.04Å; Y1090-N1092 HydrophobicContact CE2-CB 4.31Å; Y1090-N1092 PolarHBondContact O-N 3.49Å
1091V86.5Confident82.8Confident0 Ų058 Ų580%031%0.311CS..EExtended strand (participates in β ladder)trans-71.2120.2174.8179.80000109.4V1045 A1049 R1051 G1052 T1053 V1055 F1080 S1093 L1095V1045-V1091 HydrophobicContact CG1-CG2 4.01Å; A1049-V1091 HydrophobicContact CB-CG2 4.37Å; R1051-V1091 CarbonylContact C-O 3.53Å; R1051-V1091 WeakPolarHBondContact CA-O 3.41Å; G1052-V1091 PolarHBondContact N-O 3.41Å; T1053-V1091 PolarHBondContact O-N 2.97Å; V1055-V1091 HydrophobicContact CG2-CG2 3.78Å; F1080-V1091 HydrophobicContact CE1-CG2 4.41Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.18Å; V1091-L1095 HydrophobicContact CG1-CD1 4.04Å; V1091-L1095 HydrophobicContact CG1-CG 4.07Å; V1091-L1095 HydrophobicContact CG2-CD1 3.9Å
1092N87.9Confident82.3Confident57 Ų5760 Ų6031%0.30532%0.322SS..  trans-102.2-28.8-178.4-174.248.4000112.7R1051 D1078 K1079 Y1090R1051-N1092 WeakPolarHBondContact CD-O 3.35Å; R1051-N1092 WeakPolarHBondContact CG-O 3.5Å; R1051-N1092 PolarHBondContact NE-O 2.74Å; D1078-N1092 WeakPolarHBondContact O-CB 3.31Å; D1078-N1092 PolarHBondContact O-ND2 2.8Å; K1079-N1092 PolarHBondContact O-N 2.9Å; Y1090-N1092 HydrophobicContact CE2-CB 4.31Å; Y1090-N1092 PolarHBondContact O-N 3.49Å
1093S84.5Confident81.7Confident22 Ų2259.4 Ų59.415%0.15432%0.319CS..SBendtrans-134.7156.1176.9-71.60000111.3K1079 V1091 L1095K1079-S1093 PolarHBondContact O-N 2.82Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.18Å; S1093-L1095 PolarHBondContact O-N 2.94Å
1094P82Confident81.3Confident78 Ų7859.7 Ų59.751%0.50632%0.323SS..  trans-56.6137.7178.822-32.1000111.2
1095L79.2Confident81.1Confident14 Ų1455.7 Ų55.77%0.07330%0.301CS..  trans-100.1140-178.4-61.7170.2000108.7V1045 K1079 F1080 V1091 S1093 W1133V1045-L1095 HydrophobicContact CG1-CD1 4.38Å; K1079-L1095 HydrophobicContact CB-CD2 3.99Å; K1079-L1095 HydrophobicContact CG-CD2 4.37Å; F1080-L1095 HydrophobicContact CE1-CD1 4.33Å; F1080-L1095 HydrophobicContact CE1-CD2 4.17Å; F1080-L1095 HydrophobicContact CE2-CD2 4.31Å; F1080-L1095 HydrophobicContact CZ-CD1 4.39Å; F1080-L1095 HydrophobicContact CZ-CD2 3.65Å; V1091-L1095 HydrophobicContact CG1-CD1 4.04Å; V1091-L1095 HydrophobicContact CG1-CG 4.07Å; V1091-L1095 HydrophobicContact CG2-CD1 3.9Å; S1093-L1095 PolarHBondContact O-N 2.94Å; L1095-W1133 HydrophobicContact CD1-CD2 4.26Å; L1095-W1133 HydrophobicContact CD1-CE3 3.5Å; L1095-W1133 HydrophobicContact CD1-CH2 3.86Å; L1095-W1133 HydrophobicContact CD1-CZ2 4.46Å; L1095-W1133 HydrophobicContact CD1-CZ3 3.21Å
1096D79.6Confident80.9Confident71 Ų7156.5 Ų56.538%0.3829%0.293SS..  trans-128.9116.7-177.9171.4-33.8000106.8E1098 T1099 R1100D1096-E1098 WeakPolarHBondContact OD1-CB 3.44Å; D1096-E1098 PolarHBondContact OD1-N 2.83Å; D1096-T1099 HydrophobicContact CB-CG2 4.47Å; D1096-T1099 VanDerWaalsContact CB-OG1 3.28Å; D1096-T1099 WeakPolarHBondContact CB-OG1 2.98Å; D1096-T1099 PolarHBondContact O-OG1 3.45Å; D1096-T1099 PolarHBondContact OD1-N 3.26Å; D1096-T1099 PolarHBondContact OD1-OG1 3.03Å; D1096-T1099 VanDerWaalsContact OD1-OG1 3.05Å; D1096-T1099 WeakPolarHBondContact OD2-CG2 3.35Å; D1096-R1100 PolarHBondContact O-N 3.39Å
1097Y75.8Confident80.7Confident76 Ų7653.1 Ų53.130%0.29827%0.272SS..THydrogen-bonded Turntrans-75.1-32-174.1-176.3-102.5000112.2E1047 T1099 T1101 W1133 T1135E1047-Y1097 VanDerWaalsContact OE2-CB 3.24Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.19Å; Y1097-T1099 VanDerWaalsContact C-N 3.31Å; Y1097-T1099 PolarHBondContact O-N 2.82Å; Y1097-T1101 HydrophobicContact CD2-CG2 4.39Å; Y1097-T1101 HydrophobicContact CE1-CG2 4.29Å; Y1097-T1101 HydrophobicContact CE2-CG2 4Å; Y1097-W1133 HydrophobicContact CD2-CB 3.83Å; Y1097-W1133 AromaticContact CD2-CD1 3.98Å; Y1097-W1133 HydrophobicContact CD2-CG 4.34Å; Y1097-W1133 HydrophobicContact CE2-CB 4.33Å; Y1097-W1133 VanDerWaalsContact CE2-O 3.3Å; Y1097-W1133 WeakPolarHBondContact CE2-O 3.24Å; Y1097-T1135 HydrophobicContact CD1-CG2 3.59Å; Y1097-T1135 HydrophobicContact CE1-CG2 4.22Å; Y1097-T1135 HydrophobicContact CG-CG2 4.03Å
1098E77.5Confident80.5Confident143 Ų14354.5 Ų54.567%0.66828%0.278SS*.THydrogen-bonded Turntrans-64.9-35.1178-7170.5-156.600111.9D1096D1096-E1098 WeakPolarHBondContact OD1-CB 3.44Å; D1096-E1098 PolarHBondContact OD1-N 2.83Å
1099T72.8Confident79.9Confident104 Ų10452.8 Ų52.864%0.63827%0.268SS*.THydrogen-bonded Turntrans-81.3-43.7179.252.80000112.9D1096 Y1097D1096-T1099 HydrophobicContact CB-CG2 4.47Å; D1096-T1099 VanDerWaalsContact CB-OG1 3.28Å; D1096-T1099 WeakPolarHBondContact CB-OG1 2.98Å; D1096-T1099 PolarHBondContact O-OG1 3.45Å; D1096-T1099 PolarHBondContact OD1-N 3.26Å; D1096-T1099 PolarHBondContact OD1-OG1 3.03Å; D1096-T1099 VanDerWaalsContact OD1-OG1 3.05Å; D1096-T1099 WeakPolarHBondContact OD2-CG2 3.35Å; Y1097-T1099 VanDerWaalsContact C-N 3.31Å; Y1097-T1099 PolarHBondContact O-N 2.82Å
1100R72.4Confident79.2Confident92 Ų9253.7 Ų53.735%0.34727%0.273SS..  trans-151.4114.3-179.2-160.2166.8-178.4-178.4-6.2113.1E1076 D1096 S1102 Y1103E1076-R1100 IonicContact OE1-NH2 3.22Å; E1076-R1100 IonicContact OE2-CZ 2.62Å; E1076-R1100 IonicContact OE2-NH1 3.34Å; E1076-R1100 PolarHBondContact OE2-NH1 3.17Å; E1076-R1100 IonicContact OE2-NH2 2.88Å; E1076-R1100 PolarHBondContact OE2-NH2 2.83Å; D1096-R1100 PolarHBondContact O-N 3.39Å; R1100-S1102 PolarHBondContact O-N 3.47Å; R1100-Y1103 HydrophobicContact CB-CE2 4.24Å; R1100-Y1103 HydrophobicContact CG-CE2 4.22Å
1101T74.6Confident78.4Confident76 Ų7650.2 Ų50.247%0.46626%0.26SS..SBendtrans-79.6-14.7-173.758.20000114.8Y1097 W1133Y1097-T1101 HydrophobicContact CD2-CG2 4.39Å; Y1097-T1101 HydrophobicContact CE1-CG2 4.29Å; Y1097-T1101 HydrophobicContact CE2-CG2 4Å; T1101-W1133 VanDerWaalsContact O-CD1 3.3Å; T1101-W1133 PolarHBondContact O-NE1 3.04Å
1102S76.3Confident77.6Confident49 Ų4953.6 Ų53.634%0.34328%0.278SS..  trans-158.4144.9-171.680.20000113.1R1100R1100-S1102 PolarHBondContact O-N 3.47Å
1103Y77.3Confident76.6Confident15 Ų1557.1 Ų57.16%0.05929%0.292CS..  trans-126.5132.2177-75.6-96.2000110.9K1079 F1080 R1100 P1130 W1133K1079-Y1103 HydrophobicContact CB-CE1 4.43Å; K1079-Y1103 HydrophobicContact CG-CE1 4.21Å; K1079-Y1103 WeakPolarHBondContact CG-OH 2.95Å; F1080-Y1103 HydrophobicContact CD2-CD1 4.36Å; F1080-Y1103 HydrophobicContact CD2-CG 4.42Å; F1080-Y1103 AromaticContact CE2-CD1 3.72Å; F1080-Y1103 HydrophobicContact CE2-CD1 3.72Å; F1080-Y1103 AromaticContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CE1 4.14Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.12Å; F1080-Y1103 AromaticContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CE2-CG 3.48Å; F1080-Y1103 VanDerWaalsContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.01Å; F1080-Y1103 HydrophobicContact CZ-CE2 4.44Å; F1080-Y1103 HydrophobicContact CZ-CG 4.2Å; R1100-Y1103 HydrophobicContact CB-CE2 4.24Å; R1100-Y1103 HydrophobicContact CG-CE2 4.22Å; Y1103-P1130 WeakPolarHBondContact O-CA 2.92Å; Y1103-W1133 AromaticContact CD2-CZ2 3.92Å; Y1103-W1133 HydrophobicContact CD2-CZ2 3.92Å
1104V80.6Confident75.6Confident70 Ų7056.3 Ų56.342%0.42429%0.286SS..  trans-111.197174.6-176.90000108.1G1074 V1128G1074-V1104 WeakPolarHBondContact CA-O 3.34Å; V1104-V1128 WeakPolarHBondContact CA-O 3.36Å
1105L80.5Confident74.7Confident8 Ų855.3 Ų55.34%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-82.6123.6-177.5-59.5171.9000109.6I1071 G1074 N1075 F1080 I1089 V1107 V1128I1071-L1105 HydrophobicContact CG2-CD2 4.27Å; G1074-L1105 VanDerWaalsContact O-CD2 3.31Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.26Å; N1075-L1105 HydrophobicContact CB-CD2 3.85Å; F1080-L1105 HydrophobicContact CB-CD1 4.14Å; F1080-L1105 HydrophobicContact CD2-CD1 4.15Å; F1080-L1105 HydrophobicContact CD2-CD2 3.93Å; F1080-L1105 HydrophobicContact CG-CD1 4.05Å; F1080-L1105 HydrophobicContact CG-CD2 4.5Å; I1089-L1105 HydrophobicContact CD1-CD1 4.34Å; I1089-L1105 HydrophobicContact CG2-CD1 4.01Å; L1105-V1107 HydrophobicContact CB-CG1 4.44Å; L1105-V1128 HydrophobicContact CB-CB 4.28Å; L1105-V1128 PolarHBondContact N-O 3.37Å; L1105-V1128 PolarHBondContact O-N 2.71Å
1106R79.8Confident73.7Confident125 Ų12561.1 Ų61.147%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-92117.6169-164175.9-178.6-178.1-2.2108.3V1072 A1073 S1125V1072-R1106 HydrophobicContact CG2-CB 4.3Å; V1072-R1106 HydrophobicContact CG2-CG 4.16Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.3Å; V1072-R1106 PolarHBondContact N-O 2.83Å; A1073-R1106 HydrophobicContact CB-CB 4.02Å; A1073-R1106 PolarHBondContact N-O 3.02Å; A1073-R1106 PolarHBondContact O-N 3.36Å; R1106-S1125 PolarHBondContact NE-OG 2.86Å; R1106-S1125 VanDerWaalsContact NE-OG 3.1Å; R1106-S1125 PolarHBondContact NH2-OG 3.31Å
1107V81Confident72.7Confident0 Ų060.3 Ų60.30%031%0.312CS..EExtended strand (participates in β ladder)trans-114.5147.3-176-66.40000110.8F1035 I1058 S1070 I1071 I1089 L1105 L1126 V1128F1035-V1107 HydrophobicContact CE1-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CG2 4.02Å; I1058-V1107 HydrophobicContact CD1-CB 3.65Å; I1058-V1107 HydrophobicContact CD1-CG1 3.93Å; I1058-V1107 HydrophobicContact CD1-CG2 3.6Å; S1070-V1107 WeakPolarHBondContact O-CA 3.46Å; I1071-V1107 HydrophobicContact CG1-CG1 4.01Å; I1089-V1107 HydrophobicContact CD1-CG1 4.47Å; L1105-V1107 HydrophobicContact CB-CG1 4.44Å; V1107-L1126 HydrophobicContact CG2-CB 4.39Å; V1107-L1126 PolarHBondContact N-O 3.45Å; V1107-L1126 PolarHBondContact O-N 2.85Å; V1107-V1128 HydrophobicContact CG1-CG2 4.3Å; V1107-V1128 HydrophobicContact CG2-CG2 3.85Å
1108Q77.7Confident71.7Confident29 Ų2963.9 Ų63.914%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-124.5144.8178.7-173.1170.4-2000109.8Y1069 S1070 V1072 D1110Y1069-Q1108 WeakPolarHBondContact CA-O 3.08Å; S1070-Q1108 PolarHBondContact N-O 2.88Å; S1070-Q1108 PolarHBondContact O-N 3.04Å; V1072-Q1108 HydrophobicContact CG1-CB 4.09Å; V1072-Q1108 HydrophobicContact CG2-CB 4.11Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.29Å; Q1108-D1110 PolarHBondContact NE2-OD1 3.02Å; Q1108-D1110 PolarHBondContact NE2-OD2 2.8Å
1109A76.1Confident70.8Confident0 Ų058.4 Ų58.40%031%0.311CS..EExtended strand (participates in β ladder)trans-122.6116174.800000108.2P1033 F1035 A1060 I1067 V1068 Y1069 S1123P1033-A1109 HydrophobicContact CB-CB 4.11Å; F1035-A1109 HydrophobicContact CE1-CB 3.85Å; F1035-A1109 HydrophobicContact CE2-CB 4Å; F1035-A1109 HydrophobicContact CZ-CB 3.51Å; A1060-A1109 HydrophobicContact CB-CB 3.59Å; I1067-A1109 HydrophobicContact CG2-CB 3.81Å; V1068-A1109 WeakPolarHBondContact O-CA 3.37Å; Y1069-A1109 HydrophobicContact CD1-CB 4Å; Y1069-A1109 HydrophobicContact CE1-CB 3.99Å; A1109-S1123 WeakPolarHBondContact O-CB 3.39Å; A1109-S1123 PolarHBondContact O-OG 3.26Å
1110D73.1Confident69.9Low21 Ų2162.9 Ų62.911%0.11232%0.316CS..EExtended strand (participates in β ladder)trans-117.9151.5-179.8-65.3-43.4000109.7I1067 V1068 Q1108 V1115I1067-D1110 CarbonylContact C-O 3.57Å; I1067-D1110 WeakPolarHBondContact CA-O 3.4Å; V1068-D1110 PolarHBondContact N-O 3.39Å; V1068-D1110 PolarHBondContact O-N 3.33Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.29Å; Q1108-D1110 PolarHBondContact NE2-OD1 3.02Å; Q1108-D1110 PolarHBondContact NE2-OD2 2.8Å; D1110-V1115 HydrophobicContact CB-CG2 3.59Å
1111S71Confident69.1Low4 Ų458.7 Ų58.73%0.02830%0.301CS..EExtended strand (participates in β ladder)trans-76.5143.7171.549.30000110.4Q1065 S1066 E1113 V1114 V1115Q1065-S1111 PolarHBondContact OE1-OG 3.44Å; S1066-S1111 CarbonylContact O-C 3.45Å; S1066-S1111 WeakPolarHBondContact O-CA 3.23Å; S1111-E1113 PolarHBondContact O-N 3.44Å; S1111-E1113 VanDerWaalsContact O-N 3.12Å; S1111-V1114 WeakPolarHBondContact O-CA 3.42Å; S1111-V1114 WeakPolarHBondContact O-CB 3.38Å; S1111-V1114 PolarHBondContact O-N 2.91Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.4Å; S1111-V1115 PolarHBondContact O-N 3.48Å
1112L70.7Confident67.8Low72 Ų7258.6 Ų58.638%0.37730%0.302SS..Hα-helixtrans-55.8-34.1-176.6-172.671.3000112.1S1066 V1068 V1114 V1115 L1116S1066-L1112 PolarHBondContact O-N 2.88Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.35Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.35Å; V1068-L1112 HydrophobicContact CG2-CB 4.22Å; V1068-L1112 HydrophobicContact CG2-CD1 3.57Å; L1112-V1114 VanDerWaalsContact C-N 3.35Å; L1112-V1115 PolarHBondContact O-N 3.48Å; L1112-L1116 HydrophobicContact CD2-CD1 4.44Å; L1112-L1116 HydrophobicContact CG-CD1 4Å; L1112-L1116 HydrophobicContact CG-CG 4.37Å; L1112-L1116 WeakPolarHBondContact O-CB 3.04Å; L1112-L1116 VanDerWaalsContact O-CG 3.25Å; L1112-L1116 WeakPolarHBondContact O-CG 3.39Å; L1112-L1116 PolarHBondContact O-N 2.88Å
1113E65.8Low66.6Low131 Ų13156.6 Ų56.661%0.61229%0.288SS*.Hα-helixtrans-64.8-38.2176.5-162.9170.6-165.100112.2S1111 A1117S1111-E1113 PolarHBondContact O-N 3.44Å; S1111-E1113 VanDerWaalsContact O-N 3.12Å; E1113-A1117 VanDerWaalsContact O-CB 3.29Å; E1113-A1117 WeakPolarHBondContact O-CB 3.31Å; E1113-A1117 PolarHBondContact O-N 3Å; E1113-A1117 VanDerWaalsContact O-N 3.12Å
1114V64.2Low65.2Low5 Ų562.3 Ų62.33%0.0331%0.313CS..Hα-helixtrans-70.5-41.5175.9171.20000110.8M934 S1111 L1112 A1117 N1118 L1119 V1121M934-V1114 HydrophobicContact SD-CG2 4.04Å; S1111-V1114 WeakPolarHBondContact O-CA 3.42Å; S1111-V1114 WeakPolarHBondContact O-CB 3.38Å; S1111-V1114 PolarHBondContact O-N 2.91Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.4Å; L1112-V1114 VanDerWaalsContact C-N 3.35Å; V1114-A1117 PolarHBondContact O-N 2.83Å; V1114-N1118 PolarHBondContact O-N 3.27Å; V1114-L1119 HydrophobicContact CG1-CB 4.34Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.34Å; V1114-L1119 PolarHBondContact O-N 3.04Å; V1114-V1121 HydrophobicContact CG1-CB 4.34Å; V1114-V1121 HydrophobicContact CG1-CG2 3.85Å; V1114-V1121 HydrophobicContact CG2-CG2 3.87Å
1115V63.2Low63.7Low56 Ų5661 Ų6134%0.33931%0.307SS..Hα-helixtrans-64.6-47.1175.9177.80000111.5V1068 D1110 S1111 L1112 A1117 N1118V1068-V1115 HydrophobicContact CB-CG2 4.11Å; V1068-V1115 HydrophobicContact CG2-CG2 4.27Å; D1110-V1115 HydrophobicContact CB-CG2 3.59Å; S1111-V1115 PolarHBondContact O-N 3.48Å; L1112-V1115 PolarHBondContact O-N 3.48Å; V1115-A1117 PolarHBondContact O-N 3.39Å; V1115-N1118 PolarHBondContact O-N 3.06Å
1116L58.9Low62.5Low137 Ų13761.5 Ų61.572%0.71731%0.31SS*.Hα-helixtrans-63.2-30177.6-74.8169.4000112.3L1112 N1118L1112-L1116 HydrophobicContact CD2-CD1 4.44Å; L1112-L1116 HydrophobicContact CG-CD1 4Å; L1112-L1116 HydrophobicContact CG-CG 4.37Å; L1112-L1116 WeakPolarHBondContact O-CB 3.04Å; L1112-L1116 VanDerWaalsContact O-CG 3.25Å; L1112-L1116 WeakPolarHBondContact O-CG 3.39Å; L1112-L1116 PolarHBondContact O-N 2.88Å; L1116-N1118 VanDerWaalsContact C-N 3.32Å
1117A57.5Low61Low53 Ų5358.5 Ų58.544%0.43831%0.308SS..THydrogen-bonded Turntrans-83.1-3.5176.600000113.8E1113 V1114 V1115 L1119E1113-A1117 VanDerWaalsContact O-CB 3.29Å; E1113-A1117 WeakPolarHBondContact O-CB 3.31Å; E1113-A1117 PolarHBondContact O-N 3Å; E1113-A1117 VanDerWaalsContact O-N 3.12Å; V1114-A1117 PolarHBondContact O-N 2.83Å; V1115-A1117 PolarHBondContact O-N 3.39Å; A1117-L1119 HydrophobicContact CB-CB 4.31Å; A1117-L1119 HydrophobicContact CB-CD1 3.64Å; A1117-L1119 HydrophobicContact CB-CG 3.74Å; A1117-L1119 PolarHBondContact O-N 2.86Å; A1117-L1119 VanDerWaalsContact O-N 3.13Å
1118N54.6Low59.7Low152 Ų15258.7 Ų58.781%0.81331%0.309SS*.THydrogen-bonded Turntrans5127.3-168.9-83.4-17.2000113.2V1114 V1115 L1116V1114-N1118 PolarHBondContact O-N 3.27Å; V1115-N1118 PolarHBondContact O-N 3.06Å; L1116-N1118 VanDerWaalsContact C-N 3.32Å
1119L59.1Low58.3Low27 Ų2758.8 Ų58.814%0.14131%0.31CS..  trans-88.3141.3176.3-66171.4000108K932 M934 V1114 A1117K932-L1119 VanDerWaalsContact O-CD2 3.27Å; K932-L1119 WeakPolarHBondContact O-CD2 3.39Å; M934-L1119 HydrophobicContact CG-CD1 3.96Å; M934-L1119 HydrophobicContact SD-CD1 3.73Å; V1114-L1119 HydrophobicContact CG1-CB 4.34Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.34Å; V1114-L1119 PolarHBondContact O-N 3.04Å; A1117-L1119 HydrophobicContact CB-CB 4.31Å; A1117-L1119 HydrophobicContact CB-CD1 3.64Å; A1117-L1119 HydrophobicContact CB-CG 3.74Å; A1117-L1119 PolarHBondContact O-N 2.86Å; A1117-L1119 VanDerWaalsContact O-N 3.13Å
1120R54.7Low57.1Low198 Ų19861.6 Ų61.675%0.74733%0.328SS*.  trans-102111.2170.8-81.9-175.7178177.70.8108.4
1121V53.8Low55.9Low4 Ų460.9 Ų60.92%0.02433%0.325CS..  trans-98114.3160.6-175.80000104.4M934 L1027 I1032 V1114 S1123M934-V1121 HydrophobicContact CB-CG2 3.9Å; M934-V1121 HydrophobicContact SD-CG2 4.43Å; L1027-V1121 HydrophobicContact CD1-CB 4.09Å; L1027-V1121 HydrophobicContact CD1-CG1 3.59Å; L1027-V1121 HydrophobicContact CD1-CG2 3.34Å; I1032-V1121 HydrophobicContact CG1-CG1 4.33Å; I1032-V1121 HydrophobicContact CG2-CG1 4.45Å; V1114-V1121 HydrophobicContact CG1-CB 4.34Å; V1114-V1121 HydrophobicContact CG1-CG2 3.85Å; V1114-V1121 HydrophobicContact CG2-CG2 3.87Å; V1121-S1123 PolarHBondContact O-N 2.94Å
1122P48.1Very low54.9Low74 Ų7464 Ų6448%0.48135%0.347SS..  trans-63.592.3175.322.9-28.8000108.6T943T943-P1122 HydrophobicContact CG2-CG 3.86Å
1123S50.8Low54.2Low8 Ų861.1 Ų61.16%0.05633%0.331CS..  trans-67.8156.1162.361.70000108A1109 V1121 S1125A1109-S1123 WeakPolarHBondContact O-CB 3.39Å; A1109-S1123 PolarHBondContact O-OG 3.26Å; V1121-S1123 PolarHBondContact O-N 2.94Å; S1123-S1125 PolarHBondContact O-N 2.81Å
1124K49Very low53.3Low134 Ų13465 Ų6558%0.58334%0.34SS*.  trans-57101.4179.9-121.7-174.8179.3-169.70108.5F1035 L1126F1035-K1124 WeakPolarHBondContact CD2-O 3.26Å; F1035-K1124 VanDerWaalsContact CE2-O 3.23Å; F1035-K1124 WeakPolarHBondContact CE2-O 3.29Å; K1124-L1126 PolarHBondContact O-N 3.44Å
1125S48.9Very low52.3Low44 Ų4467.2 Ų67.231%0.30835%0.354SS..PPolyproline II helixtrans-67.3122.3175.160.90000108.5R1106 S1123R1106-S1125 PolarHBondContact NE-OG 2.86Å; R1106-S1125 VanDerWaalsContact NE-OG 3.1Å; R1106-S1125 PolarHBondContact NH2-OG 3.31Å; S1123-S1125 PolarHBondContact O-N 2.81Å
1126L55.6Low51.2Low18 Ų1873.2 Ų73.29%0.09438%0.378CS..EExtended strand (participates in β ladder)trans-100141.3179.1-142.393.7000109.7F1035 E1038 Y1040 V1107 K1124F1035-L1126 HydrophobicContact CB-CD1 4.21Å; F1035-L1126 HydrophobicContact CD2-CB 3.92Å; F1035-L1126 HydrophobicContact CD2-CD1 4.35Å; F1035-L1126 HydrophobicContact CE2-CB 4.17Å; F1035-L1126 HydrophobicContact CG-CB 4.34Å; E1038-L1126 VanDerWaalsContact O-CD1 3.3Å; E1038-L1126 WeakPolarHBondContact O-CD1 3.32Å; E1038-L1126 WeakPolarHBondContact O-CD2 3.26Å; E1038-L1126 WeakPolarHBondContact O-CG 3.16Å; Y1040-L1126 HydrophobicContact CD2-CD2 3.41Å; Y1040-L1126 VanDerWaalsContact CD2-CD2 3.41Å; Y1040-L1126 HydrophobicContact CE2-CD2 3.8Å; V1107-L1126 HydrophobicContact CG2-CB 4.39Å; V1107-L1126 PolarHBondContact N-O 3.45Å; V1107-L1126 PolarHBondContact O-N 2.85Å; K1124-L1126 PolarHBondContact O-N 3.44Å
1127S47.2Very low50.3Low61 Ų6172.7 Ų72.743%0.42738%0.38SS..EExtended strand (participates in β ladder)trans-94.2117.8169.9-57.70000108.4
1128V54.3Low49.2Very low5 Ų575.5 Ų75.53%0.0340%0.397CS..EExtended strand (participates in β ladder)trans-78.6124.8170.4-175.90000107.4Y1040 P1042 I1058 V1104 L1105 V1107Y1040-V1128 WeakPolarHBondContact O-CG1 3.28Å; P1042-V1128 HydrophobicContact CG-CG1 3.88Å; I1058-V1128 HydrophobicContact CG2-CG2 4.24Å; V1104-V1128 WeakPolarHBondContact CA-O 3.36Å; L1105-V1128 HydrophobicContact CB-CB 4.28Å; L1105-V1128 PolarHBondContact N-O 3.37Å; L1105-V1128 PolarHBondContact O-N 2.71Å; V1107-V1128 HydrophobicContact CG1-CG2 4.3Å; V1107-V1128 HydrophobicContact CG2-CG2 3.85Å
1129I48.2Very low48.1Very low31 Ų3177.5 Ų77.516%0.15940%0.398CS..PPolyproline II helixtrans-84.5150.4-168.5-71.5179.2000110.5E1039 Y1040 R1041 C1131E1039-I1129 HydrophobicContact CB-CD1 4.05Å; E1039-I1129 HydrophobicContact CG-CD1 3.78Å; E1039-I1129 WeakPolarHBondContact OE1-CD1 3.46Å; E1039-I1129 WeakPolarHBondContact OE2-CD1 3.31Å; Y1040-I1129 PolarHBondContact O-N 3.12Å; R1041-I1129 HydrophobicContact CG-CB 3.75Å; R1041-I1129 HydrophobicContact CG-CD1 4.38Å; R1041-I1129 HydrophobicContact CG-CG2 3.7Å; R1041-I1129 VanDerWaalsContact NH2-CD1 3.25Å; I1129-C1131 PolarHBondContact O-N 3.37Å
1130P50.6Low46.7Very low58 Ų5880.4 Ų80.438%0.37742%0.421SS..PPolyproline II helixtrans-54.9126.5-156.115.3-32.7000116.3Y1103 S1132Y1103-P1130 WeakPolarHBondContact O-CA 2.92Å; P1130-S1132 PolarHBondContact O-N 3.39Å; P1130-S1132 VanDerWaalsContact O-N 3.14Å
1131C47.2Very low45.4Very low7 Ų778.6 Ų78.65%0.04743%0.425CS..  trans-65.6105.4156-67.40000107.9V1055 I1129 W1133V1055-C1131 WeakPolarHBondContact CG1-SG 3.18Å; I1129-C1131 PolarHBondContact O-N 3.37Å; C1131-W1133 HydrophobicContact CB-CH2 3.29Å; C1131-W1133 HydrophobicContact CB-CZ2 3.26Å; C1131-W1133 HydrophobicContact CB-CZ3 4.1Å; C1131-W1133 WeakPolarHBondContact O-CZ2 3.26Å; C1131-W1133 PolarHBondContact O-NE1 2.95Å; C1131-W1133 VanDerWaalsContact O-NE1 3.13Å
1132S50.4Low44.3Very low69 Ų6982 Ų8248%0.48346%0.461SS..  trans-85.6126.8168.658.40000108.9P1044 P1130P1044-S1132 WeakPolarHBondContact CA-O 3.48Å; P1044-S1132 WeakPolarHBondContact CB-O 3.33Å; P1130-S1132 PolarHBondContact O-N 3.39Å; P1130-S1132 VanDerWaalsContact O-N 3.14Å
1133W57Low43.3Very low12 Ų1285.4 Ų85.45%0.04548%0.475CS..  trans-95.3164.7-178.5-29.686.7000111.3V1045 F1080 L1095 Y1097 T1101 Y1103 C1131V1045-W1133 HydrophobicContact CB-CE3 3.44Å; V1045-W1133 VanDerWaalsContact CB-CE3 3.44Å; V1045-W1133 HydrophobicContact CB-CH2 4.33Å; V1045-W1133 HydrophobicContact CB-CZ3 3.23Å; V1045-W1133 HydrophobicContact CG1-CE3 3.74Å; V1045-W1133 HydrophobicContact CG1-CZ3 3.45Å; V1045-W1133 VanDerWaalsContact CG1-CZ3 3.45Å; V1045-W1133 HydrophobicContact CG2-CZ3 4.17Å; V1045-W1133 VanDerWaalsContact O-CA 3.25Å; V1045-W1133 WeakPolarHBondContact O-CA 3.42Å; V1045-W1133 WeakPolarHBondContact O-CB 3.34Å; F1080-W1133 AromaticContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CH2 3.4Å; F1080-W1133 VanDerWaalsContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CZ2 4.17Å; F1080-W1133 HydrophobicContact CE1-CZ3 4.11Å; F1080-W1133 HydrophobicContact CE2-CH2 4.47Å; F1080-W1133 HydrophobicContact CE2-CZ2 4.48Å; F1080-W1133 AromaticContact CZ-CH2 3.24Å; F1080-W1133 HydrophobicContact CZ-CH2 3.24Å; F1080-W1133 AromaticContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ3 4.19Å; L1095-W1133 HydrophobicContact CD1-CD2 4.26Å; L1095-W1133 HydrophobicContact CD1-CE3 3.5Å; L1095-W1133 HydrophobicContact CD1-CH2 3.86Å; L1095-W1133 HydrophobicContact CD1-CZ2 4.46Å; L1095-W1133 HydrophobicContact CD1-CZ3 3.21Å; Y1097-W1133 HydrophobicContact CD2-CB 3.83Å; Y1097-W1133 AromaticContact CD2-CD1 3.98Å; Y1097-W1133 HydrophobicContact CD2-CG 4.34Å; Y1097-W1133 HydrophobicContact CE2-CB 4.33Å; Y1097-W1133 VanDerWaalsContact CE2-O 3.3Å; Y1097-W1133 WeakPolarHBondContact CE2-O 3.24Å; T1101-W1133 VanDerWaalsContact O-CD1 3.3Å; T1101-W1133 PolarHBondContact O-NE1 3.04Å; Y1103-W1133 AromaticContact CD2-CZ2 3.92Å; Y1103-W1133 HydrophobicContact CD2-CZ2 3.92Å; C1131-W1133 HydrophobicContact CB-CH2 3.29Å; C1131-W1133 HydrophobicContact CB-CZ2 3.26Å; C1131-W1133 HydrophobicContact CB-CZ3 4.1Å; C1131-W1133 WeakPolarHBondContact O-CZ2 3.26Å; C1131-W1133 PolarHBondContact O-NE1 2.95Å; C1131-W1133 VanDerWaalsContact O-NE1 3.13Å
1134R45.6Very low42.3Very low211 Ų21194.5 Ų94.580%0.79652%0.516SS*.  trans-129.9119.3-176.9-153.6-173.2-130.3-171.94.6111
1135T44.4Very low41.3Very low52 Ų5296 Ų9632%0.31953%0.53SS..  trans-71.8128.5170.651.20000110.6Y1097 V1137Y1097-T1135 HydrophobicContact CD1-CG2 3.59Å; Y1097-T1135 HydrophobicContact CE1-CG2 4.22Å; Y1097-T1135 HydrophobicContact CG-CG2 4.03Å; T1135-V1137 PolarHBondContact O-N 3.41Å
1136Q40.2Very low40.3Very low182 Ų18297.4 Ų97.485%0.8555%0.551SS**  trans-87.493.7173.6-147.2-174.111.200109.6S1138Q1136-S1138 PolarHBondContact O-N 2.63Å; Q1136-S1138 VanDerWaalsContact O-N 3.07Å
1137V38.2Very low39.2Very low127 Ų127103.2 Ų103.277%0.7759%0.587SS**  trans-71.6101.8-179.5-174.40000110.3T1135T1135-V1137 PolarHBondContact O-N 3.41Å
1138S35.5Very low38.3Very low112 Ų112105.9 Ų105.978%0.78360%0.602SS**  trans-74.8123.2168.855.10000110.8Q1136 S1140Q1136-S1138 PolarHBondContact O-N 2.63Å; Q1136-S1138 VanDerWaalsContact O-N 3.07Å; S1138-S1140 PolarHBondContact O-N 3.38Å
1139K30.7Very low37.3Very low194 Ų194112.3 Ų112.384%0.84364%0.641SS**  trans-65.5121.3-177.1-94.3176.5173.9175.60113.7
1140S29.2Very low36.3Very low87 Ų87115.3 Ų115.361%0.60867%0.666SS**  39.1117.5128.867.90000119.6S1138S1138-S1140 PolarHBondContact O-N 3.38Å
1141L28.6Very low35.5Very low160 Ų160121.4 Ų121.484%0.83869%0.689SS**  159.5107.2104.6-100.5123.7000109.8L1143L1141-L1143 HydrophobicContact CD2-CD1 4.43Å
1142G30.7Very low34.5Very low77 Ų77126 Ų12679%0.79472%0.72SS**  trans-16288.1168.100000108.2
1143L27Very low33.8Very low145 Ų145129.3 Ų129.376%0.75974%0.737SS**  trans-58.6133.4173.6-80.786.1000110L1141L1141-L1143 HydrophobicContact CD2-CD1 4.43Å
1144E30.1Very low32.6Very low198 Ų198138 Ų13893%0.92578%0.779SS**  -157.3133.5124.4-130.1156.4-17200111
1145L27.2Very low31.9Very low167 Ų167133.2 Ų133.287%0.87478%0.777SS**  trans-104.5140.1-175.8-84.1156.5000109.1
1146G29.5Very low31.4Very low72 Ų72134.8 Ų134.874%0.74280%0.804SS**  trans111.7132.1165.400000112
1147V30.5Very low31.1Very low140 Ų140132.6 Ų132.685%0.84880%0.803SS**  cis-157.4152.224.4168.20000107.2
1148P29.8Very low30.8Very low117 Ų117138.9 Ų138.976%0.7681%0.813SS**  trans-91.3152.7-168.234.2-28.7000113.7
1149V31.8Very low30.9Very low140 Ų140140 Ų14085%0.84882%0.816SS**  trans-127.6122.3160.3-177.80000108.7
1150S28.4Very low31Very low95 Ų95134.9 Ų134.966%0.66482%0.818SS**  trans-68143.6172.9490000112.4
1151H32.7Very low31.3Very low186 Ų186135.9 Ų135.986%0.86183%0.825SS**  trans-160.7132.9131.4-104-67.9000111.4
1152S27.7Very low31.5Very low102 Ų102134 Ų13471%0.71383%0.825SS**  trans-104.2134.6179.249.50000110.4
1153V34.4Very low31.7Very low139 Ų139137 Ų13784%0.84283%0.828SS**  trans-15295158.4-176.50000106.1
1154E31.7Very low31.9Very low195 Ų195142.2 Ų142.291%0.91184%0.838SS**  64.99891.4-129173.7-155.600114.8
1155S32.5Very low32.2Very low110 Ų110137.5 Ų137.577%0.76983%0.832SS**  trans-98.6116.4178.454.60000110.4
1156G33.4Very low32.4Very low85 Ų85134.4 Ų134.488%0.87683%0.831SS**  trans-87.8112.717400000112.3
1157T33.1Very low32.6Very low137 Ų137136.4 Ų136.484%0.8483%0.834SS**  trans-95116.4169.527.20000109.8
1158R33.1Very low32.7Very low258 Ų258136.3 Ų136.397%0.97483%0.833SS**  trans-99.1106.9-177.7-150.6176.6-169-178.73109.4
1159T36.3Very low32.9Very low136 Ų136135.6 Ų135.683%0.83483%0.829SS**  trans-89.6123.1172.948.80000110.2
1160G34.2Very low32.9Very low86 Ų86136 Ų13689%0.88783%0.825SS**  trans-76.8133.7176.600000112.7
1161S34.3Very low33.1Very low108 Ų108143.5 Ų143.576%0.75585%0.849SS**  trans-119.3123.5171.459.10000109.8
1162S32.7Very low33.1Very low121 Ų121141.4 Ų141.485%0.84685%0.848SS**  trans-75.1130.1171.970.10000110.8
1163T35.3Very low33.4Very low139 Ų139143.5 Ų143.585%0.85386%0.855SS**  trans-128.4117.5164.427.10000109.5
1164R30.4Very low33.3Very low255 Ų255143.7 Ų143.796%0.96286%0.856SS**  trans-90.6120.9175-159.5-176.3-165.2-173.24106.4
1165A36.6Very low33.4Very low99 Ų99140.7 Ų140.782%0.81885%0.853SS**  trans-145.2107.116900000109.3
1166A31.4Very low33.5Very low103 Ų103142.6 Ų142.685%0.85186%0.858SS**  trans-91132.5165.700000108.1
1167S35Very low33.5Very low113 Ų113146.5 Ų146.579%0.7986%0.856SS**  trans-163.5100.5160.653.60000110.2
1168V31.8Very low33.5Very low138 Ų138147.1 Ų147.184%0.83686%0.858SS**  trans-101.6128.9150.3173.60000103.4
1169P34.1Very low33.5Very low103 Ų103138.6 Ų138.667%0.66985%0.849SS**  -158153.485.536.1-13.2000118.6
1170I31.6Very low33.3Very low149 Ų149138.8 Ų138.876%0.76485%0.85SS**  trans55.6105.2132.8-53164.7000117.5
1171H32.4Very low33.2Very low252 Ų252143.6 Ų143.6100%1.16785%0.847SS**  -145.30115.2-122.6-51.1000112

Retrieved 1,171 of 1,171 residues in 764.8 ms (Link to these results)