A0A087XJ26_POEFO Loading...

Replication factor C subunit 4

Subunit of the replication factor C (RFC) complex which acts during elongation of primed DNA templates by DNA polymerases delta and epsilon, and is necessary for ATP-dependent loading of proliferating cell nuclear antigen (PCNA) onto primed DNA. The RFC4 subunit probably functions as a scaffold on which the other complex components can assemble.

AlphaFold DB , UniProt , Accession A0A087XJ26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M41.8Very low31.4Very low252 Ų252160.8 Ų160.8100%1.24188%0.878SS**  072.90-78.2-174.2-91.900109.1
2Q31.4Very low31.2Very low193 Ų193158.1 Ų158.190%0.90287%0.87SS**  trans-94167.9168.5-77.7174.7-17.100108.7
3A31.7Very low31.1Very low83 Ų83154.7 Ų154.769%0.68686%0.864SS**  trans85.8122177.500000113.3
4F30.1Very low30.9Very low207 Ų207160.6 Ų160.691%0.90887%0.867SS**  -140103.353.4-98.8-107.1000112.7
5L33.4Very low30.8Very low175 Ų175158.4 Ų158.492%0.91686%0.864SS**  trans-112.7104.9161.1-103.4162000106.8
6K33.4Very low30.7Very low206 Ų206160 Ų16090%0.89686%0.864SS**  trans-159.7124.7159.2-71.7-169.7179.2174.50104.5
7G27.9Very low30.7Very low76 Ų76162.8 Ų162.878%0.78487%0.866SS**  cis135111.122.200000105.2
8A29.5Very low30.6Very low98 Ų98162.1 Ų162.181%0.8186%0.862SS**  trans-161.292.4166.400000110
9T28.7Very low30.5Very low139 Ų139164.5 Ų164.585%0.85387%0.865SS**  trans-70120.4170-130000108.9Q11T9-Q11 PolarHBondContact O-N 3.02Å
10I30.2Very low30.5Very low155 Ų155163 Ų16380%0.79586%0.862SS**  trans-78.6106.5172.4-65.4171.1000107.9T12I10-T12 HydrophobicContact CG2-CG2 4.38Å
11Q27.6Very low30.5Very low185 Ų185161.5 Ų161.586%0.86486%0.859SS**  trans-81.6113167.8-72-179.6-12.700109T9T9-Q11 PolarHBondContact O-N 3.02Å
12T28.9Very low29.9Very low128 Ų128154.5 Ų154.579%0.78584%0.842SS**  trans-96.5106.3161.642.90000108.7I10I10-T12 HydrophobicContact CG2-CG2 4.38Å
13S29.3Very low29.8Very low114 Ų114148.6 Ų148.680%0.79783%0.832SS**PPolyproline II helixtrans-66.8129.5176.742.40000111
14R29.1Very low30.2Very low238 Ų238150.5 Ų150.590%0.89884%0.838SS**PPolyproline II helixtrans-71.7133.1169.3-70.2175.7175.8176-2109.1Q16R14-Q16 PolarHBondContact O-N 2.79Å
15P28.8Very low30.7Very low127 Ų127146.1 Ų146.183%0.82583%0.833SS**PPolyproline II helixtrans-71.7127.7173.126.2-28.8000110.5K17P15-K17 PolarHBondContact O-N 3.07Å
16Q29.2Very low30.7Very low184 Ų184141.2 Ų141.286%0.8683%0.825SS**PPolyproline II helixtrans-58.8127.5170.8-81.8167.1-46.900109.8R14R14-Q16 PolarHBondContact O-N 2.79Å
17K30.2Very low30.9Very low207 Ų207140.3 Ų140.390%0.982%0.824SS**PPolyproline II helixtrans-77.8118.7165.9-95.9-178.2174179.40108.7P15P15-K17 PolarHBondContact O-N 3.07Å
18D29.3Very low31.6Very low150 Ų150146.4 Ų146.480%0.80283%0.829SS**PPolyproline II helixtrans-57.5135.4172.3-71-49.1000112V20D18-V20 PolarHBondContact O-N 3.39Å; D18-V20 VanDerWaalsContact O-N 3.14Å
19K28.4Very low32.4Very low209 Ų209151.3 Ų151.391%0.90983%0.832SS**  trans-67.2102.1170.4-83.3175.2171.2176.60108.9
20V30.8Very low33.6Very low134 Ų134149.1 Ų149.181%0.81283%0.828SS**PPolyproline II helixtrans-80.8123.9161.3-179.40000108.3D18D18-V20 PolarHBondContact O-N 3.39Å; D18-V20 VanDerWaalsContact O-N 3.14Å
21T29.9Very low35Very low131 Ų131151.2 Ų151.280%0.80483%0.831SS**PPolyproline II helixtrans-57.2133.217933.30000112.2G23T21-G23 PolarHBondContact O-N 3.45Å
22A30.7Very low37.5Very low106 Ų106146.4 Ų146.488%0.87682%0.823SS**PPolyproline II helixtrans-74.9120.1178.500000111.2
23G29.6Very low40.3Very low68 Ų68144.3 Ų144.370%0.70181%0.81SS**PPolyproline II helixtrans-88.9154.4160.400000111.2T21T21-G23 PolarHBondContact O-N 3.45Å
24P39.6Very low43.3Very low124 Ų124142 Ų14281%0.80579%0.793SS**SBendtrans-85.4155.2-163.633.7-33.3000114.1
25S39.5Very low46.4Very low114 Ų114131.9 Ų131.980%0.79775%0.754SS**  trans58.57616059.50000118
26G33.5Very low49.4Very low73 Ų73127.3 Ų127.375%0.75372%0.724SS**  trans-81.9108.2148.600000109.2K28G26-K28 PolarHBondContact O-N 3.31Å
27E37.4Very low52.2Low187 Ų187122.7 Ų122.787%0.87470%0.702SS**  trans-50.3116164.3-72.9-179.9156.300108.3K29E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.48Å
28K43.3Very low55.1Low203 Ų203117.8 Ų117.888%0.88368%0.681SS**  trans-6298.1170.3-74.4178.5179174.80106.5G26 A30G26-K28 PolarHBondContact O-N 3.31Å; K28-A30 PolarHBondContact O-N 3.45Å
29K46.1Very low58Low201 Ų201112 Ų11287%0.87465%0.648SS**  trans-47.7109167-83.4-174.2176.4-179.40106.8E27 K31E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.48Å; K29-K31 PolarHBondContact O-N 3.3Å
30A54.1Low60.9Low94 Ų94104.1 Ų104.178%0.77761%0.613SS**  trans-54.6127.2177.500000107.3K28 A32K28-A30 PolarHBondContact O-N 3.45Å; A30-A32 PolarHBondContact O-N 2.99Å
31K60.7Low63.6Low199 Ų19998.6 Ų98.687%0.86558%0.58SS**  trans-53.8121177.5-76.5-177176.2-177.70107.9K29 V33K29-K31 PolarHBondContact O-N 3.3Å; K31-V33 PolarHBondContact O-N 3.46Å
32A78.9Confident66.2Low84 Ų8498.9 Ų98.969%0.69457%0.57SS**  trans-62.3111.5178.900000109A30A30-A32 PolarHBondContact O-N 2.99Å
33V88.1Confident68.6Low83 Ų8396.4 Ų96.450%0.50355%0.546SS..  trans-72.6133179.7-179.70000108.7K31 E37K31-V33 PolarHBondContact O-N 3.46Å; V33-E37 HydrophobicContact CG1-CB 3.66Å
34P93Very high71Confident67 Ų6793.2 Ų93.244%0.43551%0.512SS..  trans-54.3147.4173.5-25.834.8000112V36 E37 K38P34-V36 PolarHBondContact O-N 3.45Å; P34-E37 PolarHBondContact O-N 2.82Å; P34-K38 PolarHBondContact O-N 3.28Å
35W93Very high72.9Confident25 Ų2592.7 Ų92.710%0.09550%0.503CS..Hα-helixtrans-64.5-31.9-176.1-73.4-7.2000112.7E37 K38 Y39 I209 E213 L215 I237 L240 Q241 A244W35-E37 PolarHBondContact O-N 2.78Å; W35-K38 PolarHBondContact O-N 3.15Å; W35-Y39 HydrophobicContact CB-CD2 3.96Å; W35-Y39 HydrophobicContact CB-CE2 4.22Å; W35-Y39 HydrophobicContact CG-CD2 4.32Å; W35-Y39 HydrophobicContact CG-CE2 4.07Å; W35-Y39 WeakPolarHBondContact O-CB 3.37Å; W35-Y39 WeakPolarHBondContact O-CD2 3.09Å; W35-Y39 PolarHBondContact O-N 3.19Å; W35-I209 HydrophobicContact CE3-CG2 4.13Å; W35-I209 HydrophobicContact CZ3-CG2 4.47Å; W35-E213 HydrophobicContact CD2-CG 4.41Å; W35-E213 HydrophobicContact CH2-CB 4.21Å; W35-E213 HydrophobicContact CH2-CG 3.97Å; W35-E213 HydrophobicContact CZ2-CB 4.07Å; W35-E213 HydrophobicContact CZ2-CG 3.57Å; W35-E213 HydrophobicContact CZ3-CG 4.49Å; W35-E213 PolarHBondContact NE1-OE1 3.08Å; W35-L215 HydrophobicContact CH2-CD1 3.65Å; W35-L215 HydrophobicContact CH2-CD2 4.25Å; W35-L215 HydrophobicContact CH2-CG 4.42Å; W35-L215 HydrophobicContact CZ3-CD1 3.88Å; W35-I237 HydrophobicContact CB-CG2 3.67Å; W35-L240 HydrophobicContact CZ3-CD2 4.34Å; W35-L240 HydrophobicContact CZ3-CG 4.06Å; W35-Q241 HydrophobicContact CB-CB 4.34Å; W35-Q241 HydrophobicContact CB-CG 4.47Å; W35-Q241 HydrophobicContact CD2-CB 3.74Å; W35-Q241 HydrophobicContact CD2-CG 3.72Å; W35-Q241 VanDerWaalsContact CE3-CA 3.46Å; W35-Q241 HydrophobicContact CE3-CB 3.44Å; W35-Q241 VanDerWaalsContact CE3-CB 3.44Å; W35-Q241 HydrophobicContact CE3-CG 3.92Å; W35-Q241 HydrophobicContact CG-CB 4.16Å; W35-Q241 HydrophobicContact CG-CG 3.99Å; W35-Q241 VanDerWaalsContact CZ3-CA 3.41Å; W35-Q241 HydrophobicContact CZ3-CB 3.96Å; W35-Q241 HydrophobicContact CZ3-CG 4.41Å; W35-A244 HydrophobicContact CH2-CB 3.49Å; W35-A244 VanDerWaalsContact CH2-CB 3.49Å; W35-A244 HydrophobicContact CZ2-CB 4.42Å; W35-A244 HydrophobicContact CZ3-CB 4.08Å
36V91.4Very high74.8Confident30 Ų3091.3 Ų91.318%0.18248%0.484CS..Hα-helixtrans-52.9-41.9172.4177.30000111.8P34 R40 R234 I237 T238P34-V36 PolarHBondContact O-N 3.45Å; V36-R40 PolarHBondContact O-N 3.1Å; V36-R234 HydrophobicContact CG1-CG 3.85Å; V36-R234 HydrophobicContact CG2-CG 4.14Å; V36-I237 HydrophobicContact CG2-CB 4.3Å; V36-I237 HydrophobicContact CG2-CG2 3.96Å; V36-T238 WeakPolarHBondContact CG2-OG1 3.19Å
37E89.1Confident76.9Confident87 Ų8788.3 Ų88.341%0.40745%0.451SS..Hα-helixtrans-85-37.5178.3-65.3-52.1137.500112.5V33 P34 W35 Y39 R40V33-E37 HydrophobicContact CG1-CB 3.66Å; P34-E37 PolarHBondContact O-N 2.82Å; W35-E37 PolarHBondContact O-N 2.78Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 2.93Å; E37-R40 WeakPolarHBondContact O-CB 3.25Å; E37-R40 PolarHBondContact O-N 2.92Å; E37-R40 IonicContact OE1-CZ 3.65Å; E37-R40 IonicContact OE1-NE 2.67Å; E37-R40 IonicContact OE1-NH2 3.98Å; E37-R40 PolarHBondContact OE1-NH2 3.1Å; E37-R40 IonicContact OE2-CZ 2.55Å; E37-R40 IonicContact OE2-NE 3.55Å; E37-R40 PolarHBondContact OE2-NE 3.47Å; E37-R40 IonicContact OE2-NH2 2.63Å; E37-R40 PolarHBondContact OE2-NH2 3.32Å
38K90.9Very high78.2Confident105 Ų10580.7 Ų80.746%0.45742%0.42SS..Hα-helixtrans-60.5-40.7179.2-173.7-177.7175.3-174.30111.8P34 W35 E213P34-K38 PolarHBondContact O-N 3.28Å; W35-K38 PolarHBondContact O-N 3.15Å; K38-E213 IonicContact NZ-OE1 2.7Å; K38-E213 PolarHBondContact NZ-OE1 3.3Å; K38-E213 IonicContact NZ-OE2 3.3Å
39Y90.2Very high79.3Confident27 Ų2776.6 Ų76.611%0.10640%0.402CS..THydrogen-bonded Turntrans-100.311.5-178.9-65-69.6000113.6W35 E37 R205 I209 K212 E213W35-Y39 HydrophobicContact CB-CD2 3.96Å; W35-Y39 HydrophobicContact CB-CE2 4.22Å; W35-Y39 HydrophobicContact CG-CD2 4.32Å; W35-Y39 HydrophobicContact CG-CE2 4.07Å; W35-Y39 WeakPolarHBondContact O-CB 3.37Å; W35-Y39 WeakPolarHBondContact O-CD2 3.09Å; W35-Y39 PolarHBondContact O-N 3.19Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 2.93Å; Y39-R205 PolarHBondContact O-NH2 3.37Å; Y39-R205 VanDerWaalsContact O-NH2 3.12Å; Y39-I209 HydrophobicContact CD1-CG1 4.14Å; Y39-I209 HydrophobicContact CD2-CD1 4.17Å; Y39-I209 HydrophobicContact CD2-CG1 3.98Å; Y39-I209 HydrophobicContact CD2-CG2 4.07Å; Y39-I209 HydrophobicContact CE1-CG1 4.43Å; Y39-I209 HydrophobicContact CE2-CG1 4.28Å; Y39-I209 HydrophobicContact CE2-CG2 3.75Å; Y39-I209 HydrophobicContact CG-CD1 4.16Å; Y39-I209 HydrophobicContact CG-CG1 3.91Å; Y39-K212 HydrophobicContact CD1-CD 4.34Å; Y39-K212 HydrophobicContact CE1-CB 4.16Å; Y39-K212 HydrophobicContact CE1-CD 3.6Å; Y39-K212 WeakPolarHBondContact OH-CB 3.47Å; Y39-E213 HydrophobicContact CE2-CG 4.26Å; Y39-E213 WeakPolarHBondContact CE2-OE1 3.41Å; Y39-E213 VanDerWaalsContact CZ-OE1 3.32Å; Y39-E213 WeakPolarHBondContact OH-CG 3.35Å; Y39-E213 PolarHBondContact OH-OE1 3.44Å
40R89.9Confident80.5Confident44 Ų4467.6 Ų67.617%0.16636%0.363CS..SBendtrans-59127.2173.4-172.4-175.7-75.2-125.30.3108.8V36 E37 K42V36-R40 PolarHBondContact O-N 3.1Å; E37-R40 WeakPolarHBondContact O-CB 3.25Å; E37-R40 PolarHBondContact O-N 2.92Å; E37-R40 IonicContact OE1-CZ 3.65Å; E37-R40 IonicContact OE1-NE 2.67Å; E37-R40 IonicContact OE1-NH2 3.98Å; E37-R40 PolarHBondContact OE1-NH2 3.1Å; E37-R40 IonicContact OE2-CZ 2.55Å; E37-R40 IonicContact OE2-NE 3.55Å; E37-R40 PolarHBondContact OE2-NE 3.47Å; E37-R40 IonicContact OE2-NH2 2.63Å; E37-R40 PolarHBondContact OE2-NH2 3.32Å; R40-K42 PolarHBondContact O-N 3.45Å
41P86.8Confident81.4Confident19 Ų1968 Ų6812%0.12335%0.352CS..  trans-48.9132.4177.2-30.836.1000112.4E46 V47P41-E46 WeakPolarHBondContact CA-OE2 3.32Å; P41-E46 HydrophobicContact CB-CB 3.89Å; P41-V47 HydrophobicContact CB-CG2 3.98Å; P41-V47 HydrophobicContact CG-CG2 4.35Å
42K83.7Confident82.4Confident136 Ų13665.4 Ų65.459%0.59134%0.343SS*.SBendtrans-96.5-30.9178.2-67.3-178.5-177.1173.90112.5R40 E46R40-K42 PolarHBondContact O-N 3.45Å; K42-E46 PolarHBondContact N-OE2 3.33Å
43C82.7Confident82.5Confident55 Ų5561.8 Ų61.837%0.37231%0.313SS..SBendtrans-119.4157.7178.6-590000110D45 E46C43-D45 PolarHBondContact O-N 3.32Å; C43-E46 HydrophobicContact CB-CG 4.44Å; C43-E46 PolarHBondContact O-N 2.89Å; C43-E46 VanDerWaalsContact O-N 3.11Å
44V79.3Confident82.3Confident0 Ų058.4 Ų58.40%029%0.292CS..G310 helixtrans-63.6-29.5-178.7-173.60000111.2E46 V47 V54 K58 A85 A86 E89V44-E46 VanDerWaalsContact C-N 3.29Å; V44-E46 PolarHBondContact O-N 3.04Å; V44-V47 WeakPolarHBondContact O-CB 3.41Å; V44-V47 WeakPolarHBondContact O-CG2 3.4Å; V44-V47 PolarHBondContact O-N 3.12Å; V44-V54 HydrophobicContact CG1-CB 4.09Å; V44-V54 HydrophobicContact CG1-CG1 3.61Å; V44-V54 HydrophobicContact CG1-CG2 3.88Å; V44-K58 HydrophobicContact CG1-CG 4.44Å; V44-A85 HydrophobicContact CG2-CB 4.41Å; V44-A86 VanDerWaalsContact CG2-CA 3.5Å; V44-A86 HydrophobicContact CG2-CB 3.82Å; V44-E89 WeakPolarHBondContact CG2-OE2 3.34Å; V44-E89 PolarHBondContact N-OE2 3.16Å
45D79.2Confident81.8Confident113 Ų11358.4 Ų58.460%0.60429%0.291SS*.G310 helixtrans-66.8-23.6175.3-71.4-51.3000115C43 V47 K58C43-D45 PolarHBondContact O-N 3.32Å; D45-V47 PolarHBondContact O-N 3.4Å; D45-K58 WeakPolarHBondContact OD1-CE 3.48Å; D45-K58 IonicContact OD1-NZ 2.71Å; D45-K58 PolarHBondContact OD1-NZ 3.03Å; D45-K58 IonicContact OD2-NZ 2.76Å; D45-K58 PolarHBondContact OD2-NZ 3.44Å
46E79.1Confident81.4Confident85 Ų8560.4 Ų60.440%0.39731%0.306SS..G310 helixtrans-83.3-3.6178.8-65.2179.2-178.600112.1P41 K42 C43 V44 A48P41-E46 WeakPolarHBondContact CA-OE2 3.32Å; P41-E46 HydrophobicContact CB-CB 3.89Å; K42-E46 PolarHBondContact N-OE2 3.33Å; C43-E46 HydrophobicContact CB-CG 4.44Å; C43-E46 PolarHBondContact O-N 2.89Å; C43-E46 VanDerWaalsContact O-N 3.11Å; V44-E46 VanDerWaalsContact C-N 3.29Å; V44-E46 PolarHBondContact O-N 3.04Å; E46-A48 PolarHBondContact O-N 3.4Å
47V77.4Confident81.1Confident11 Ų1159.1 Ų59.17%0.06730%0.298CS..SBendtrans-77.7110.3177.6-178.80000108.6P41 V44 D45 F49 V54 T82P41-V47 HydrophobicContact CB-CG2 3.98Å; P41-V47 HydrophobicContact CG-CG2 4.35Å; V44-V47 WeakPolarHBondContact O-CB 3.41Å; V44-V47 WeakPolarHBondContact O-CG2 3.4Å; V44-V47 PolarHBondContact O-N 3.12Å; D45-V47 PolarHBondContact O-N 3.4Å; V47-F49 PolarHBondContact O-N 3.38Å; V47-V54 HydrophobicContact CB-CG2 4.29Å; V47-T82 WeakPolarHBondContact CG1-OG1 3.08Å; V47-T82 HydrophobicContact CG2-CG2 4.47Å
48A64.9Low80.8Confident27 Ų2757.4 Ų57.422%0.22329%0.289CS..THydrogen-bonded Turntrans-60.2122.2-179.300000112.3E46 Q50 L197 I201E46-A48 PolarHBondContact O-N 3.4Å; A48-Q50 PolarHBondContact O-N 3.15Å; A48-L197 WeakPolarHBondContact O-CD2 3.37Å; A48-I201 HydrophobicContact CB-CG2 3.65Å
49F67.4Low80.4Confident116 Ų11659.2 Ų59.251%0.50930%0.297SS..THydrogen-bonded Turntrans56.439.1158.1-155.7-103.9000117.2V47 L197 I201V47-F49 PolarHBondContact O-N 3.38Å; F49-L197 HydrophobicContact CB-CD2 4.23Å; F49-I201 HydrophobicContact CB-CB 4.3Å; F49-I201 HydrophobicContact CB-CD1 3.67Å; F49-I201 HydrophobicContact CB-CG1 3.77Å; F49-I201 HydrophobicContact CB-CG2 3.85Å; F49-I201 HydrophobicContact CD1-CD1 3.32Å; F49-I201 HydrophobicContact CD1-CG1 4.32Å; F49-I201 HydrophobicContact CD2-CD1 3.3Å; F49-I201 HydrophobicContact CD2-CG1 3.58Å; F49-I201 HydrophobicContact CE1-CD1 3.61Å; F49-I201 HydrophobicContact CE2-CD1 3.6Å; F49-I201 HydrophobicContact CE2-CG1 4.16Å; F49-I201 HydrophobicContact CG-CD1 3.15Å; F49-I201 HydrophobicContact CG-CG1 3.67Å; F49-I201 HydrophobicContact CZ-CD1 3.73Å
50Q70Confident79.8Confident13 Ų1359 Ų596%0.06130%0.3CS..  trans-119.246.3166.8-60.3-75.8-5.700109.7A48 E52 V53 V54 F194 K195A48-Q50 PolarHBondContact O-N 3.15Å; Q50-E52 VanDerWaalsContact C-N 3.28Å; Q50-E52 PolarHBondContact O-N 3.37Å; Q50-V53 HydrophobicContact CB-CB 4.17Å; Q50-V53 HydrophobicContact CB-CG2 4.43Å; Q50-V53 WeakPolarHBondContact O-CA 3.4Å; Q50-V53 WeakPolarHBondContact O-CB 3.31Å; Q50-V53 PolarHBondContact O-N 3.2Å; Q50-V54 HydrophobicContact CB-CG2 4.47Å; Q50-V54 WeakPolarHBondContact O-CB 3.38Å; Q50-V54 WeakPolarHBondContact O-CG2 3.48Å; Q50-V54 PolarHBondContact O-N 3.12Å; Q50-F194 HydrophobicContact CG-CD1 3.81Å; Q50-F194 HydrophobicContact CG-CE1 4.04Å; Q50-K195 PolarHBondContact NE2-O 2.89Å; Q50-K195 VanDerWaalsContact NE2-O 3.09Å
51D74.4Confident79.1Confident102 Ų10258.2 Ų58.255%0.54530%0.298SS..Hα-helixtrans-57.2-38.3-168.1-59.4-27.9000113.2T55D51-T55 WeakPolarHBondContact O-CB 3.25Å; D51-T55 PolarHBondContact O-N 3.09Å; D51-T55 PolarHBondContact O-OG1 2.84Å
52E80.5Confident78.5Confident144 Ų14465.1 Ų65.167%0.67333%0.329SS*.Hα-helixtrans-60.1-47.2174.8-67.3175.4-171.700111.2Q50 V56Q50-E52 VanDerWaalsContact C-N 3.28Å; Q50-E52 PolarHBondContact O-N 3.37Å; E52-V56 VanDerWaalsContact O-CG2 3.25Å; E52-V56 WeakPolarHBondContact O-CG2 3.32Å; E52-V56 PolarHBondContact O-N 3.12Å; E52-V56 VanDerWaalsContact O-N 3.16Å
53V82.5Confident77.6Confident9 Ų960.3 Ų60.36%0.05532%0.319CS..Hα-helixtrans-69-46.5-179.5179.10000110.3Q50 V56 L57 F192 F194Q50-V53 HydrophobicContact CB-CB 4.17Å; Q50-V53 HydrophobicContact CB-CG2 4.43Å; Q50-V53 WeakPolarHBondContact O-CA 3.4Å; Q50-V53 WeakPolarHBondContact O-CB 3.31Å; Q50-V53 PolarHBondContact O-N 3.2Å; V53-V56 PolarHBondContact O-N 3.17Å; V53-L57 HydrophobicContact CG1-CD1 3.68Å; V53-L57 HydrophobicContact CG1-CG 4.26Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.15Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 3.34Å; V53-F192 HydrophobicContact CB-CD1 4.19Å; V53-F192 HydrophobicContact CG1-CB 4.07Å; V53-F192 HydrophobicContact CG1-CD1 3.69Å; V53-F192 HydrophobicContact CG1-CE1 4.46Å; V53-F192 HydrophobicContact CG1-CG 4.09Å; V53-F192 HydrophobicContact CG2-CB 4.28Å; V53-F192 HydrophobicContact CG2-CD1 4.13Å; V53-F194 HydrophobicContact CG1-CE1 4.48Å; V53-F194 HydrophobicContact CG1-CE2 4.13Å; V53-F194 HydrophobicContact CG1-CZ 3.79Å
54V82.8Confident76.6Confident11 Ų1161.9 Ų61.97%0.06734%0.335CS..Hα-helixtrans-61.1-45.7179.1164.80000110.9V44 V47 Q50 V56 L57 K58V44-V54 HydrophobicContact CG1-CB 4.09Å; V44-V54 HydrophobicContact CG1-CG1 3.61Å; V44-V54 HydrophobicContact CG1-CG2 3.88Å; V47-V54 HydrophobicContact CB-CG2 4.29Å; Q50-V54 HydrophobicContact CB-CG2 4.47Å; Q50-V54 WeakPolarHBondContact O-CB 3.38Å; Q50-V54 WeakPolarHBondContact O-CG2 3.48Å; Q50-V54 PolarHBondContact O-N 3.12Å; V54-V56 PolarHBondContact O-N 3.1Å; V54-L57 PolarHBondContact O-N 3.34Å; V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.44Å; V54-K58 WeakPolarHBondContact O-CB 3.16Å; V54-K58 VanDerWaalsContact O-CG 3.31Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 3.41Å
55T83.8Confident76.3Confident68 Ų6867.2 Ų67.242%0.41736%0.364SS..Hα-helixtrans-63.7-44.1179.9-59.50000111.4D51 K59D51-T55 WeakPolarHBondContact O-CB 3.25Å; D51-T55 PolarHBondContact O-N 3.09Å; D51-T55 PolarHBondContact O-OG1 2.84Å; T55-K59 WeakPolarHBondContact O-CG 3.45Å; T55-K59 PolarHBondContact O-N 3.41Å; T55-K59 VanDerWaalsContact O-N 3.08Å
56V84.3Confident76.5Confident67 Ų6762 Ų6241%0.40634%0.336SS..Hα-helixtrans-69.3-40.4178.7174.50000111.1E52 V53 V54 K59 S60 F192E52-V56 VanDerWaalsContact O-CG2 3.25Å; E52-V56 WeakPolarHBondContact O-CG2 3.32Å; E52-V56 PolarHBondContact O-N 3.12Å; E52-V56 VanDerWaalsContact O-N 3.16Å; V53-V56 PolarHBondContact O-N 3.17Å; V54-V56 PolarHBondContact O-N 3.1Å; V56-K59 PolarHBondContact O-N 3.41Å; V56-S60 WeakPolarHBondContact O-CB 3.42Å; V56-S60 PolarHBondContact O-N 2.89Å; V56-S60 PolarHBondContact O-OG 3.41Å; V56-F192 HydrophobicContact CB-CE1 3.92Å; V56-F192 HydrophobicContact CG1-CE1 3.61Å; V56-F192 HydrophobicContact CG1-CZ 3.78Å
57L83.4Confident77Confident2 Ų259.9 Ų59.91%0.0133%0.33CS..Hα-helixtrans-62.3-46.3175-76.6171.9000111.2V53 V54 K59 S60 L61 L69 F71 T82 F192V53-L57 HydrophobicContact CG1-CD1 3.68Å; V53-L57 HydrophobicContact CG1-CG 4.26Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.15Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.34Å; L57-K59 PolarHBondContact O-N 3.23Å; L57-S60 CarbonylContact O-C 3.58Å; L57-S60 WeakPolarHBondContact O-CA 3.37Å; L57-S60 WeakPolarHBondContact O-CB 3.44Å; L57-S60 PolarHBondContact O-N 2.83Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 2.95Å; L57-L69 HydrophobicContact CD2-CD1 3.84Å; L57-L69 HydrophobicContact CD2-CD2 4.18Å; L57-F71 HydrophobicContact CD1-CE1 4.41Å; L57-F71 HydrophobicContact CD1-CZ 3.71Å; L57-F71 HydrophobicContact CD2-CE1 4.33Å; L57-F71 HydrophobicContact CD2-CZ 4.01Å; L57-F71 HydrophobicContact CG-CZ 4.45Å; L57-T82 HydrophobicContact CD1-CG2 3.6Å; L57-F192 HydrophobicContact CD2-CZ 4.45Å
58K82.8Confident77.7Confident51 Ų5160.4 Ų60.422%0.22233%0.332CS..Hα-helixtrans-56.4-49.5176.2-79.5-175.4163.2-157.40112.3V44 D45 V54 S60 L61 E62V44-K58 HydrophobicContact CG1-CG 4.44Å; D45-K58 WeakPolarHBondContact OD1-CE 3.48Å; D45-K58 IonicContact OD1-NZ 2.71Å; D45-K58 PolarHBondContact OD1-NZ 3.03Å; D45-K58 IonicContact OD2-NZ 2.76Å; D45-K58 PolarHBondContact OD2-NZ 3.44Å; V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.44Å; V54-K58 WeakPolarHBondContact O-CB 3.16Å; V54-K58 VanDerWaalsContact O-CG 3.31Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 3.41Å; K58-S60 VanDerWaalsContact C-N 3.25Å; K58-S60 PolarHBondContact O-N 2.84Å; K58-L61 PolarHBondContact O-N 3.04Å; K58-L61 VanDerWaalsContact O-N 3.08Å; K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.48Å
59K82.9Confident79.2Confident143 Ų14359.3 Ų59.362%0.62232%0.322SS*.Hα-helixtrans-59.7-37.1174.7-71.7179.2-180-178.20112.5T55 V56 L57 L61 G63T55-K59 WeakPolarHBondContact O-CG 3.45Å; T55-K59 PolarHBondContact O-N 3.41Å; T55-K59 VanDerWaalsContact O-N 3.08Å; V56-K59 PolarHBondContact O-N 3.41Å; L57-K59 PolarHBondContact O-N 3.23Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-G63 PolarHBondContact O-N 3.48Å
60S78.5Confident80.5Confident23 Ų2353.8 Ų53.816%0.16130%0.298CS..Hα-helixtrans-74.9-22.4178.2-540000113.2V56 L57 K58V56-S60 WeakPolarHBondContact O-CB 3.42Å; V56-S60 PolarHBondContact O-N 2.89Å; V56-S60 PolarHBondContact O-OG 3.41Å; L57-S60 CarbonylContact O-C 3.58Å; L57-S60 WeakPolarHBondContact O-CA 3.37Å; L57-S60 WeakPolarHBondContact O-CB 3.44Å; L57-S60 PolarHBondContact O-N 2.83Å; K58-S60 VanDerWaalsContact C-N 3.25Å; K58-S60 PolarHBondContact O-N 2.84Å
61L74.8Confident81.7Confident27 Ų2753.1 Ų53.114%0.14130%0.295CS..Hα-helixtrans-84.6-35.8175.2-69.3166000111.7L57 K58 K59 G63 L66 A86 L90L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 2.95Å; K58-L61 PolarHBondContact O-N 3.04Å; K58-L61 VanDerWaalsContact O-N 3.08Å; K59-L61 VanDerWaalsContact C-N 3.33Å; L61-G63 VanDerWaalsContact C-N 3.34Å; L61-L66 HydrophobicContact CD2-CD2 4.5Å; L61-A86 HydrophobicContact CD1-CB 3.91Å; L61-L90 HydrophobicContact CB-CD1 4.46Å; L61-L90 HydrophobicContact CD2-CB 4.24Å; L61-L90 HydrophobicContact CD2-CD1 3.87Å; L61-L90 HydrophobicContact CD2-CD2 3.86Å; L61-L90 HydrophobicContact CD2-CG 4.21Å
62E74.6Confident82.7Confident164 Ų16450.8 Ų50.877%0.76628%0.279SS*.Hα-helixtrans-67.8-36.7171.2-71.3171.8-172.700111.2K58K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.48Å
63G65.1Low83.3Confident36 Ų3644.2 Ų44.237%0.37125%0.25SS..SBendtrans-71.2143169.800000112K59 L61 D65K59-G63 PolarHBondContact O-N 3.48Å; L61-G63 VanDerWaalsContact C-N 3.34Å; G63-D65 PolarHBondContact O-N 3.34Å
64A60.2Low83.7Confident88 Ų8846.4 Ų46.473%0.72726%0.264SS*.SBendtrans-70.83175.200000114.1
65D73.8Confident84.1Confident112 Ų11248.9 Ų48.960%0.59928%0.281SS*.  trans-127.186.2-173.9-164.416.2000112.4G63 P67 R170G63-D65 PolarHBondContact O-N 3.34Å; D65-P67 WeakPolarHBondContact O-CD 3.11Å; D65-R170 IonicContact OD1-CZ 3.2Å; D65-R170 VanDerWaalsContact OD1-CZ 3.29Å; D65-R170 IonicContact OD1-NH1 3.03Å; D65-R170 PolarHBondContact OD1-NH1 3.48Å; D65-R170 IonicContact OD1-NH2 3.58Å; D65-R170 PolarHBondContact OD1-NH2 3.4Å
66L83.3Confident84.3Confident4 Ų446.2 Ų46.22%0.02127%0.267CS..  trans-90.4104.6176179.671000110.4L61 L69 F139 I141 R170L61-L66 HydrophobicContact CD2-CD2 4.5Å; L66-L69 HydrophobicContact CD1-CD1 4.28Å; L66-L69 HydrophobicContact CD1-CD2 4.28Å; L66-F139 HydrophobicContact CB-CE1 4.27Å; L66-F139 HydrophobicContact CB-CE2 4.23Å; L66-F139 HydrophobicContact CB-CZ 3.65Å; L66-F139 HydrophobicContact CD2-CE2 3.87Å; L66-F139 HydrophobicContact CD2-CZ 4.03Å; L66-I141 HydrophobicContact CD2-CD1 4.03Å; L66-R170 WeakPolarHBondContact O-CD 3.12Å; L66-R170 VanDerWaalsContact O-CG 3.26Å; L66-R170 WeakPolarHBondContact O-CG 3.29Å; L66-R170 PolarHBondContact O-NE 3.36Å; L66-R170 PolarHBondContact O-NH1 3.29Å
67P89.9Confident84.6Confident40 Ų4043.2 Ų43.226%0.2625%0.248SC..  trans-60.8167.9179.928.1-36.5000112.1D65 L69 S190D65-P67 WeakPolarHBondContact O-CD 3.11Å; P67-L69 HydrophobicContact CG-CD2 4.4Å; P67-L69 PolarHBondContact O-N 3.26Å; P67-S190 VanDerWaalsContact CG-OG 3.27Å; P67-S190 WeakPolarHBondContact CG-OG 3.46Å
68N93Very high84.9Confident22 Ų2244 Ų4412%0.11826%0.258CS..  trans-61.4141166.2-60.1-46.3000108.9M162 F171 R188 C189 S190N68-M162 HydrophobicContact CB-CE 4.07Å; N68-F171 CarbonylContact C-O 3.51Å; N68-F171 VanDerWaalsContact CA-O 3.28Å; N68-F171 WeakPolarHBondContact CA-O 3.3Å; N68-F171 HydrophobicContact CB-CB 4.46Å; N68-F171 PolarHBondContact OD1-N 2.93Å; N68-R188 WeakPolarHBondContact CB-O 3.23Å; N68-R188 PolarHBondContact ND2-O 3.13Å; N68-C189 HydrophobicContact CB-CB 4.38Å; N68-C189 CarbonylContact O-C 3.48Å; N68-C189 VanDerWaalsContact O-CA 3.26Å; N68-C189 WeakPolarHBondContact O-CA 3.42Å; N68-S190 PolarHBondContact O-N 3.45Å
69L94.4Very high85.3Confident3 Ų342.3 Ų42.32%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-112.1143.6-173.1-53173.5000109.9L57 L66 P67 F71 I83 F171 C172 L173 F192L57-L69 HydrophobicContact CD2-CD1 3.84Å; L57-L69 HydrophobicContact CD2-CD2 4.18Å; L66-L69 HydrophobicContact CD1-CD1 4.28Å; L66-L69 HydrophobicContact CD1-CD2 4.28Å; P67-L69 HydrophobicContact CG-CD2 4.4Å; P67-L69 PolarHBondContact O-N 3.26Å; L69-F71 HydrophobicContact CB-CD1 4.28Å; L69-F71 HydrophobicContact CB-CE1 3.87Å; L69-F71 HydrophobicContact CD1-CE1 4.11Å; L69-F71 HydrophobicContact CD1-CZ 4.05Å; L69-F71 HydrophobicContact CG-CE1 4.44Å; L69-I83 HydrophobicContact CD1-CD1 3.92Å; L69-F171 PolarHBondContact N-O 2.97Å; L69-C172 HydrophobicContact CB-CB 4.26Å; L69-C172 WeakPolarHBondContact O-CA 3.13Å; L69-L173 PolarHBondContact O-N 3.06Å; L69-F192 HydrophobicContact CD2-CD2 4.3Å; L69-F192 HydrophobicContact CD2-CE2 3.54Å; L69-F192 HydrophobicContact CD2-CZ 4.31Å
70L95.4Very high85.7Confident0 Ų036 Ų360%022%0.224CC..EExtended strand (participates in β ladder)trans-129.2107.7170.7174.361.3000109L173 I178 T186 C189 S190 K191 F192L70-L173 CarbonylContact C-O 3.47Å; L70-L173 WeakPolarHBondContact CA-O 3.45Å; L70-L173 HydrophobicContact CD1-CB 3.66Å; L70-I178 HydrophobicContact CD2-CD1 4.01Å; L70-I178 HydrophobicContact CD2-CG1 4.18Å; L70-T186 HydrophobicContact CD2-CG2 3.77Å; L70-C189 HydrophobicContact CB-CB 3.65Å; L70-S190 PolarHBondContact N-O 2.95Å; L70-K191 HydrophobicContact CD2-CG 4.13Å; L70-F192 PolarHBondContact O-N 2.94Å
71F95.6Very high86.3Confident0 Ų036 Ų360%022%0.224CC..EExtended strand (participates in β ladder)trans-98.1121.8178.9-67.9-0.3000109.1L57 L69 K79 T82 I83 L173 I174 C175 F192 F194L57-F71 HydrophobicContact CD1-CE1 4.41Å; L57-F71 HydrophobicContact CD1-CZ 3.71Å; L57-F71 HydrophobicContact CD2-CE1 4.33Å; L57-F71 HydrophobicContact CD2-CZ 4.01Å; L57-F71 HydrophobicContact CG-CZ 4.45Å; L69-F71 HydrophobicContact CB-CD1 4.28Å; L69-F71 HydrophobicContact CB-CE1 3.87Å; L69-F71 HydrophobicContact CD1-CE1 4.11Å; L69-F71 HydrophobicContact CD1-CZ 4.05Å; L69-F71 HydrophobicContact CG-CE1 4.44Å; F71-K79 HydrophobicContact CB-CB 4.38Å; F71-T82 HydrophobicContact CE2-CG2 4.39Å; F71-I83 HydrophobicContact CD2-CB 4.42Å; F71-I83 HydrophobicContact CE2-CB 3.76Å; F71-I83 HydrophobicContact CE2-CG2 4.47Å; F71-L173 PolarHBondContact N-O 3.31Å; F71-I174 HydrophobicContact CB-CG1 4.34Å; F71-I174 WeakPolarHBondContact O-CA 3.22Å; F71-C175 PolarHBondContact O-N 2.89Å; F71-F192 HydrophobicContact CD1-CB 3.71Å; F71-F192 AromaticContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CG 4.1Å; F71-F192 HydrophobicContact CE1-CB 3.97Å; F71-F192 AromaticContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CE2 4.31Å; F71-F192 AromaticContact CE1-CG 3.89Å; F71-F192 HydrophobicContact CE1-CG 3.89Å; F71-F194 HydrophobicContact CB-CD2 4.1Å; F71-F194 HydrophobicContact CB-CE2 3.63Å; F71-F194 AromaticContact CD1-CE2 3.85Å; F71-F194 HydrophobicContact CD1-CE2 3.85Å; F71-F194 AromaticContact CD2-CE2 3.7Å; F71-F194 HydrophobicContact CD2-CE2 3.7Å; F71-F194 AromaticContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CE1-CE2 4.41Å; F71-F194 HydrophobicContact CE2-CE2 4.27Å; F71-F194 HydrophobicContact CE2-CZ 4.03Å; F71-F194 HydrophobicContact CG-CD2 4.4Å; F71-F194 AromaticContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CE2 3.46Å; F71-F194 VanDerWaalsContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CZ 4.05Å
72Y94.9Very high87.1Confident52 Ų5234.7 Ų34.720%0.20422%0.217CC..EExtended strand (participates in β ladder)trans-137.9147.4-179.572.5-79.6000112.4C175 I178 K191 F192 R193 F194Y72-C175 VanDerWaalsContact CA-O 3.28Å; Y72-C175 WeakPolarHBondContact CA-O 3.35Å; Y72-I178 HydrophobicContact CD1-CD1 4.24Å; Y72-I178 HydrophobicContact CD2-CB 4.15Å; Y72-I178 HydrophobicContact CD2-CG2 4.38Å; Y72-I178 HydrophobicContact CE1-CD1 4.19Å; Y72-I178 HydrophobicContact CE2-CG2 4.46Å; Y72-I178 HydrophobicContact CG-CB 4.23Å; Y72-K191 HydrophobicContact CE1-CB 4.16Å; Y72-F192 VanDerWaalsContact CD1-O 3.25Å; Y72-F192 WeakPolarHBondContact CD1-O 3.46Å; Y72-F192 PolarHBondContact N-O 2.94Å; Y72-R193 HydrophobicContact CD2-CG 4.44Å; Y72-R193 HydrophobicContact CE1-CB 3.92Å; Y72-R193 HydrophobicContact CE2-CB 4.02Å; Y72-R193 HydrophobicContact CE2-CG 3.75Å; Y72-R193 WeakPolarHBondContact O-CA 3.43Å; Y72-F194 PolarHBondContact O-N 3.3Å
73G93.3Very high87.9Confident7 Ų727 Ų277%0.07218%0.181CC..SBendtrans152.7179.3179.500000112.4K79 C175 N176 F194G73-K79 PolarHBondContact O-NZ 3.03Å; G73-C175 PolarHBondContact N-O 3.14Å; G73-N176 WeakPolarHBondContact O-CA 3.18Å; G73-N176 PolarHBondContact O-OD1 3.24Å; G73-F194 WeakPolarHBondContact CA-O 3.42Å
74P92.1Very high89.1Confident54 Ų5425.4 Ų25.435%0.35116%0.164SC..SBendtrans-58.1158.8-178.3-28.140.1000113.6T77 K79 F194 P196P74-T77 HydrophobicContact CB-CG2 4.14Å; P74-T77 WeakPolarHBondContact O-CG2 3.48Å; P74-T77 PolarHBondContact O-OG1 2.89Å; P74-K79 PolarHBondContact O-NZ 2.95Å; P74-F194 WeakPolarHBondContact CD-O 3.37Å; P74-P196 HydrophobicContact CG-CG 3.99Å
75P90.6Very high90.5Very high64 Ų6421.2 Ų21.242%0.41613%0.129SC..THydrogen-bonded Turntrans-60.6159.1174.128.7-35.8000111.3T77P75-T77 PolarHBondContact O-N 3.27Å
76G88.3Confident91.1Very high12 Ų1216 Ų1612%0.12410%0.102CC..THydrogen-bonded Turntrans72.8-2.6175.900000117.1G78 D232G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 3.33Å; G76-D232 WeakPolarHBondContact CA-OD1 3.44Å
77T89.6Confident91.4Very high3 Ų315.9 Ų15.92%0.01810%0.101CC..SBendtrans-81.62.4-176.553.10000115.2P74 P75 K195P74-T77 HydrophobicContact CB-CG2 4.14Å; P74-T77 WeakPolarHBondContact O-CG2 3.48Å; P74-T77 PolarHBondContact O-OG1 2.89Å; P75-T77 PolarHBondContact O-N 3.27Å; T77-K195 WeakPolarHBondContact CG2-O 3.33Å
78G89.3Confident91.2Very high20 Ų2018.6 Ų18.621%0.20611%0.106CC..SBendtrans90.111.9175.600000116.3G76 T80 S81 T82G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 3.33Å; G78-T80 PolarHBondContact O-N 3.35Å; G78-S81 PolarHBondContact O-N 3.39Å; G78-T82 WeakPolarHBondContact O-CB 3.19Å; G78-T82 PolarHBondContact O-N 3.45Å; G78-T82 PolarHBondContact O-OG1 3.36Å
79K91.9Very high90.8Very high14 Ų1422.3 Ų22.36%0.06112%0.123CC..Hα-helixtrans-49.3-60.1179.4-55.4-173-66-88.30113.4F71 G73 P74 T82 I83 I174 C175 N176 F194F71-K79 HydrophobicContact CB-CB 4.38Å; G73-K79 PolarHBondContact O-NZ 3.03Å; P74-K79 PolarHBondContact O-NZ 2.95Å; K79-T82 PolarHBondContact O-N 3.41Å; K79-I83 PolarHBondContact O-N 3.05Å; K79-I174 HydrophobicContact CB-CG2 3.64Å; K79-I174 HydrophobicContact CD-CG2 3.88Å; K79-I174 HydrophobicContact CG-CG2 4.38Å; K79-C175 WeakPolarHBondContact CE-O 3.23Å; K79-N176 PolarHBondContact NZ-OD1 3.4Å; K79-F194 HydrophobicContact CD-CB 4.48Å; K79-F194 HydrophobicContact CD-CD2 4.46Å; K79-F194 HydrophobicContact CD-CG 4.49Å; K79-F194 HydrophobicContact CG-CB 3.98Å; K79-F194 HydrophobicContact CG-CD1 4.03Å; K79-F194 HydrophobicContact CG-CD2 3.87Å; K79-F194 HydrophobicContact CG-CE2 4.4Å; K79-F194 HydrophobicContact CG-CG 3.68Å
80T91.6Very high90.3Very high11 Ų1123.4 Ų23.47%0.06713%0.129CC..Hα-helixtrans-64.6-41.9-180-38.40000111.2G78 T82 I83 L84 D145 I174G78-T80 PolarHBondContact O-N 3.35Å; T80-T82 VanDerWaalsContact C-N 3.28Å; T80-T82 PolarHBondContact O-N 2.97Å; T80-I83 WeakPolarHBondContact O-CG2 3.32Å; T80-I83 PolarHBondContact O-N 3.21Å; T80-L84 HydrophobicContact CG2-CD1 3.81Å; T80-L84 HydrophobicContact CG2-CG 4.35Å; T80-L84 WeakPolarHBondContact O-CB 3.3Å; T80-L84 WeakPolarHBondContact O-CD1 3.36Å; T80-L84 WeakPolarHBondContact O-CG 3.43Å; T80-L84 PolarHBondContact O-N 2.97Å; T80-L84 VanDerWaalsContact O-N 3.14Å; T80-D145 WeakPolarHBondContact CG2-OD2 3.38Å; T80-D145 PolarHBondContact OG1-OD2 2.9Å; T80-I174 HydrophobicContact CG2-CD1 4.15Å
81S90.9Very high89.7Confident23 Ų2323.5 Ų23.516%0.16113%0.129CC..Hα-helixtrans-59.2-39.2177.8-56.30000112.5G78 A85G78-S81 PolarHBondContact O-N 3.39Å; S81-A85 VanDerWaalsContact O-CB 3.24Å; S81-A85 WeakPolarHBondContact O-CB 3.47Å; S81-A85 PolarHBondContact O-N 2.72Å
82T91.4Very high89.2Confident0 Ų024.4 Ų24.40%014%0.138CC..Hα-helixtrans-65.9-49.7-177.4-54.60000111.8V47 L57 F71 G78 K79 T80 L84 A85 A86 F194V47-T82 WeakPolarHBondContact CG1-OG1 3.08Å; V47-T82 HydrophobicContact CG2-CG2 4.47Å; L57-T82 HydrophobicContact CD1-CG2 3.6Å; F71-T82 HydrophobicContact CE2-CG2 4.39Å; G78-T82 WeakPolarHBondContact O-CB 3.19Å; G78-T82 PolarHBondContact O-N 3.45Å; G78-T82 PolarHBondContact O-OG1 3.36Å; K79-T82 PolarHBondContact O-N 3.41Å; T80-T82 VanDerWaalsContact C-N 3.28Å; T80-T82 PolarHBondContact O-N 2.97Å; T82-L84 PolarHBondContact O-N 3.36Å; T82-A85 PolarHBondContact O-N 3.42Å; T82-A86 WeakPolarHBondContact O-CB 3.23Å; T82-A86 PolarHBondContact O-N 3.36Å; T82-F194 HydrophobicContact CG2-CE1 4.5Å; T82-F194 HydrophobicContact CG2-CZ 4.27Å; T82-F194 WeakPolarHBondContact OG1-CE1 3.48Å
83I90.8Very high88.6Confident2 Ų227.6 Ų27.61%0.0117%0.166CC..Hα-helixtrans-68.3-36.4179.9-174.762.7000111.9L69 F71 K79 T80 A86 A87 I143 C172 I174L69-I83 HydrophobicContact CD1-CD1 3.92Å; F71-I83 HydrophobicContact CD2-CB 4.42Å; F71-I83 HydrophobicContact CE2-CB 3.76Å; F71-I83 HydrophobicContact CE2-CG2 4.47Å; K79-I83 PolarHBondContact O-N 3.05Å; T80-I83 WeakPolarHBondContact O-CG2 3.32Å; T80-I83 PolarHBondContact O-N 3.21Å; I83-A86 PolarHBondContact O-N 2.82Å; I83-A87 VanDerWaalsContact O-CB 3.24Å; I83-A87 WeakPolarHBondContact O-CB 3.46Å; I83-A87 PolarHBondContact O-N 2.94Å; I83-I143 HydrophobicContact CB-CD1 4.47Å; I83-I143 HydrophobicContact CG1-CD1 3.75Å; I83-I143 HydrophobicContact CG1-CG1 3.92Å; I83-I143 HydrophobicContact CG2-CD1 3.97Å; I83-I143 HydrophobicContact CG2-CG1 4.45Å; I83-I143 HydrophobicContact CG2-CG2 3.99Å; I83-C172 HydrophobicContact CD1-CB 4.01Å; I83-C172 HydrophobicContact CG1-CB 3.88Å; I83-I174 HydrophobicContact CG2-CD1 3.89Å
84L90.6Very high87.9Confident3 Ų332.6 Ų32.62%0.01619%0.187CC..Hα-helixtrans-68.4-39.5178-64.3170.2000111.1T80 T82 A87 R88 Y96 I143T80-L84 HydrophobicContact CG2-CD1 3.81Å; T80-L84 HydrophobicContact CG2-CG 4.35Å; T80-L84 WeakPolarHBondContact O-CB 3.3Å; T80-L84 WeakPolarHBondContact O-CD1 3.36Å; T80-L84 WeakPolarHBondContact O-CG 3.43Å; T80-L84 PolarHBondContact O-N 2.97Å; T80-L84 VanDerWaalsContact O-N 3.14Å; T82-L84 PolarHBondContact O-N 3.36Å; L84-A87 PolarHBondContact O-N 2.97Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 VanDerWaalsContact O-CG 3.22Å; L84-R88 WeakPolarHBondContact O-CG 3.49Å; L84-R88 PolarHBondContact O-N 3.45Å; L84-Y96 WeakPolarHBondContact CD2-OH 3.49Å; L84-I143 HydrophobicContact CD2-CD1 3.64Å; L84-I143 HydrophobicContact CG-CD1 4.45Å
85A89.1Confident87.5Confident0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-62.7-48.3173.300000111.1V44 S81 T82 A87 R88 E89V44-A85 HydrophobicContact CG2-CB 4.41Å; S81-A85 VanDerWaalsContact O-CB 3.24Å; S81-A85 WeakPolarHBondContact O-CB 3.47Å; S81-A85 PolarHBondContact O-N 2.72Å; T82-A85 PolarHBondContact O-N 3.42Å; A85-A87 VanDerWaalsContact C-N 3.34Å; A85-A87 PolarHBondContact O-N 3.5Å; A85-R88 PolarHBondContact O-N 3.19Å; A85-E89 WeakPolarHBondContact O-CB 3.33Å; A85-E89 PolarHBondContact O-N 2.93Å
86A87.7Confident87.2Confident3 Ų329.2 Ų29.23%0.02516%0.16CC..Hα-helixtrans-57.9-44.5175.600000112.4V44 L61 T82 I83 E89 L90V44-A86 VanDerWaalsContact CG2-CA 3.5Å; V44-A86 HydrophobicContact CG2-CB 3.82Å; L61-A86 HydrophobicContact CD1-CB 3.91Å; T82-A86 WeakPolarHBondContact O-CB 3.23Å; T82-A86 PolarHBondContact O-N 3.36Å; I83-A86 PolarHBondContact O-N 2.82Å; A86-E89 PolarHBondContact O-N 2.86Å; A86-L90 VanDerWaalsContact O-CB 3.29Å; A86-L90 WeakPolarHBondContact O-CB 3.45Å; A86-L90 PolarHBondContact O-N 3.31Å
87A88.3Confident87Confident0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-69.4-33.1179.600000112.7I83 L84 A85 Y91 Y96 V100 I141I83-A87 VanDerWaalsContact O-CB 3.24Å; I83-A87 WeakPolarHBondContact O-CB 3.46Å; I83-A87 PolarHBondContact O-N 2.94Å; L84-A87 PolarHBondContact O-N 2.97Å; A85-A87 VanDerWaalsContact C-N 3.34Å; A85-A87 PolarHBondContact O-N 3.5Å; A87-Y91 HydrophobicContact CB-CD2 4.49Å; A87-Y91 WeakPolarHBondContact O-CB 3.37Å; A87-Y91 WeakPolarHBondContact O-CD2 3.18Å; A87-Y91 PolarHBondContact O-N 3.19Å; A87-Y96 HydrophobicContact CB-CD2 4.38Å; A87-Y96 HydrophobicContact CB-CE2 3.94Å; A87-V100 HydrophobicContact CB-CG2 3.86Å; A87-I141 HydrophobicContact CB-CD1 4.41Å
88R87.3Confident86.8Confident98 Ų9845.3 Ų45.337%0.3722%0.222SC..Hα-helixtrans-68.2-40.6172.5-75.5171.3-173.6165.31.7111.9L84 A85 G92 Y96L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 VanDerWaalsContact O-CG 3.22Å; L84-R88 WeakPolarHBondContact O-CG 3.49Å; L84-R88 PolarHBondContact O-N 3.45Å; A85-R88 PolarHBondContact O-N 3.19Å; R88-G92 WeakPolarHBondContact O-CA 3.28Å; R88-G92 PolarHBondContact O-N 3.47Å; R88-Y96 HydrophobicContact CB-CD2 4.48Å; R88-Y96 HydrophobicContact CG-CD2 3.72Å; R88-Y96 HydrophobicContact CG-CE2 3.65Å
89E84.2Confident86.7Confident100 Ų10044.6 Ų44.647%0.46721%0.213SC..Hα-helixtrans-65.2-41.5176.2-168173.6150.700111.2V44 A85 A86V44-E89 WeakPolarHBondContact CG2-OE2 3.34Å; V44-E89 PolarHBondContact N-OE2 3.16Å; A85-E89 WeakPolarHBondContact O-CB 3.33Å; A85-E89 PolarHBondContact O-N 2.93Å; A86-E89 PolarHBondContact O-N 2.86Å
90L83.1Confident86.6Confident26 Ų2644.5 Ų44.514%0.13621%0.214CC..Hα-helixtrans-71.1-44.5-178.1-166.265.1000114L61 A86 P137 F139 I141L61-L90 HydrophobicContact CB-CD1 4.46Å; L61-L90 HydrophobicContact CD2-CB 4.24Å; L61-L90 HydrophobicContact CD2-CD1 3.87Å; L61-L90 HydrophobicContact CD2-CD2 3.86Å; L61-L90 HydrophobicContact CD2-CG 4.21Å; A86-L90 VanDerWaalsContact O-CB 3.29Å; A86-L90 WeakPolarHBondContact O-CB 3.45Å; A86-L90 PolarHBondContact O-N 3.31Å; L90-P137 HydrophobicContact CD1-CG 3.51Å; L90-P137 HydrophobicContact CD2-CG 4.01Å; L90-P137 HydrophobicContact CG-CG 3.75Å; L90-F139 HydrophobicContact CD2-CE2 3.97Å; L90-F139 HydrophobicContact CD2-CZ 4.09Å; L90-I141 HydrophobicContact CD2-CD1 4.13Å
91Y84.1Confident86.6Confident1 Ų145.6 Ų45.60%0.00422%0.219CC..Hα-helixtrans-103.7-15.1-173.1-62.1-54.6000114A87 L95 R99 V100 H130 F139 I141A87-Y91 HydrophobicContact CB-CD2 4.49Å; A87-Y91 WeakPolarHBondContact O-CB 3.37Å; A87-Y91 WeakPolarHBondContact O-CD2 3.18Å; A87-Y91 PolarHBondContact O-N 3.19Å; Y91-L95 WeakPolarHBondContact O-CB 3Å; Y91-R99 HydrophobicContact CD1-CB 4.1Å; Y91-R99 HydrophobicContact CD1-CG 4.37Å; Y91-R99 HydrophobicContact CD2-CB 4.11Å; Y91-R99 HydrophobicContact CE1-CB 4.06Å; Y91-R99 VanDerWaalsContact CE1-CD 3.45Å; Y91-R99 HydrophobicContact CE1-CG 4.42Å; Y91-R99 HydrophobicContact CE2-CB 4.06Å; Y91-R99 HydrophobicContact CG-CB 4.12Å; Y91-V100 HydrophobicContact CD2-CG2 3.54Å; Y91-V100 HydrophobicContact CE2-CG2 3.76Å; Y91-H130 PolarHBondContact O-CE1 3.31Å; Y91-F139 VanDerWaalsContact OH-CD2 3.29Å; Y91-F139 WeakPolarHBondContact OH-CD2 3.37Å; Y91-F139 WeakPolarHBondContact OH-CE2 3.1Å; Y91-F139 PolarHBondContact OH-O 2.96Å; Y91-I141 HydrophobicContact CE2-CB 4.36Å; Y91-I141 HydrophobicContact CE2-CD1 3.76Å; Y91-I141 HydrophobicContact CE2-CG1 3.99Å; Y91-I141 WeakPolarHBondContact OH-CG1 3.25Å
92G83.9Confident86.6Confident19 Ų1949.2 Ų49.220%0.19623%0.234CC..Hα-helixtrans64174.7-169.800000113.4R88 E94 Y96R88-G92 WeakPolarHBondContact O-CA 3.28Å; R88-G92 PolarHBondContact O-N 3.47Å; G92-E94 VanDerWaalsContact C-N 3.31Å; G92-E94 PolarHBondContact O-N 3.39Å; G92-Y96 VanDerWaalsContact O-CB 3.25Å; G92-Y96 WeakPolarHBondContact O-CB 3.38Å; G92-Y96 PolarHBondContact O-N 2.93Å
93P81.5Confident86.4Confident120 Ų12049.6 Ų49.678%0.77924%0.236SC*.Hα-helixtrans-66.8-27.6-172.825.4-34000114.2
94E80.5Confident86.2Confident111 Ų11151.6 Ų51.652%0.51925%0.246SC..Hα-helixtrans-75.8-48.9-176.1-64.5179.1174.100112.5G92G92-E94 VanDerWaalsContact C-N 3.31Å; G92-E94 PolarHBondContact O-N 3.39Å
95L82.8Confident85.3Confident11 Ų1151.7 Ų51.76%0.05825%0.247CC..Hα-helixtrans-86.6-16.8-176.4-63.9177.2000112.9Y91 R97 Q98 R99 H130 C136Y91-L95 WeakPolarHBondContact O-CB 3Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.93Å; L95-Q98 PolarHBondContact O-N 3.48Å; L95-R99 HydrophobicContact CB-CG 4.34Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 PolarHBondContact O-N 3.28Å; L95-H130 WeakPolarHBondContact CD1-CE1 3.41Å; L95-H130 VanDerWaalsContact CD1-ND1 3.31Å; L95-H130 WeakPolarHBondContact CD1-ND1 3.15Å; L95-C136 HydrophobicContact CD1-CB 4.49Å
96Y85.3Confident84.4Confident37 Ų3753.1 Ų53.115%0.14526%0.257CS..Hα-helixtrans-49.3-49.6179.9-177.5-88.5000112.3L84 A87 R88 G92 Q98 R99 V100L84-Y96 WeakPolarHBondContact CD2-OH 3.49Å; A87-Y96 HydrophobicContact CB-CD2 4.38Å; A87-Y96 HydrophobicContact CB-CE2 3.94Å; R88-Y96 HydrophobicContact CB-CD2 4.48Å; R88-Y96 HydrophobicContact CG-CD2 3.72Å; R88-Y96 HydrophobicContact CG-CE2 3.65Å; G92-Y96 VanDerWaalsContact O-CB 3.25Å; G92-Y96 WeakPolarHBondContact O-CB 3.38Å; G92-Y96 PolarHBondContact O-N 2.93Å; Y96-Q98 PolarHBondContact O-N 3.37Å; Y96-R99 PolarHBondContact O-N 3.19Å; Y96-V100 HydrophobicContact CD2-CB 4.33Å; Y96-V100 HydrophobicContact CD2-CG2 3.78Å; Y96-V100 HydrophobicContact CE1-CB 4.42Å; Y96-V100 HydrophobicContact CE2-CB 4.18Å; Y96-V100 HydrophobicContact CE2-CG1 4.18Å; Y96-V100 HydrophobicContact CE2-CG2 3.89Å; Y96-V100 HydrophobicContact CG-CG2 4.25Å; Y96-V100 VanDerWaalsContact O-CB 3.27Å; Y96-V100 WeakPolarHBondContact O-CB 3.4Å; Y96-V100 WeakPolarHBondContact O-CG2 3.3Å; Y96-V100 PolarHBondContact O-N 3.11Å
97R84.1Confident83.4Confident221 Ų22158.9 Ų58.983%0.83429%0.288SS*.Hα-helixtrans-67-23-178.4-69.4-175.7178.5155.60.7114.2L95L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.93Å
98Q84.4Confident82.1Confident132 Ų13261.3 Ų61.362%0.61730%0.299SS*.Hα-helixtrans-93.1-29.1-178.9-62.4-179.78.800112L95 Y96L95-Q98 PolarHBondContact O-N 3.48Å; Y96-Q98 PolarHBondContact O-N 3.37Å
99R86.6Confident80.6Confident5 Ų566.8 Ų66.82%0.01932%0.32CS..Hα-helixtrans-108.7-12.8-171.7-62.8-171.1-175.7-138.96.3114.8Y91 L95 Y96 V126 A127 C136 P137 K140 I141Y91-R99 HydrophobicContact CD1-CB 4.1Å; Y91-R99 HydrophobicContact CD1-CG 4.37Å; Y91-R99 HydrophobicContact CD2-CB 4.11Å; Y91-R99 HydrophobicContact CE1-CB 4.06Å; Y91-R99 VanDerWaalsContact CE1-CD 3.45Å; Y91-R99 HydrophobicContact CE1-CG 4.42Å; Y91-R99 HydrophobicContact CE2-CB 4.06Å; Y91-R99 HydrophobicContact CG-CB 4.12Å; L95-R99 HydrophobicContact CB-CG 4.34Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 PolarHBondContact O-N 3.28Å; Y96-R99 PolarHBondContact O-N 3.19Å; R99-V126 HydrophobicContact CG-CG1 4.02Å; R99-V126 VanDerWaalsContact NE-CG1 3.35Å; R99-A127 PolarHBondContact NH2-O 2.92Å; R99-C136 PolarHBondContact NH1-SG 3.29Å; R99-P137 PolarHBondContact NH1-O 3.48Å; R99-K140 WeakPolarHBondContact O-CA 3.4Å; R99-K140 WeakPolarHBondContact O-CB 3.35Å; R99-I141 PolarHBondContact O-N 3.31Å
100V91Very high79.6Confident12 Ų1263.6 Ų63.67%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-115.2123.5178.8-172.90000109.5A87 Y91 Y96 I141 I143A87-V100 HydrophobicContact CB-CG2 3.86Å; Y91-V100 HydrophobicContact CD2-CG2 3.54Å; Y91-V100 HydrophobicContact CE2-CG2 3.76Å; Y96-V100 HydrophobicContact CD2-CB 4.33Å; Y96-V100 HydrophobicContact CD2-CG2 3.78Å; Y96-V100 HydrophobicContact CE1-CB 4.42Å; Y96-V100 HydrophobicContact CE2-CB 4.18Å; Y96-V100 HydrophobicContact CE2-CG1 4.18Å; Y96-V100 HydrophobicContact CE2-CG2 3.89Å; Y96-V100 HydrophobicContact CG-CG2 4.25Å; Y96-V100 VanDerWaalsContact O-CB 3.27Å; Y96-V100 WeakPolarHBondContact O-CB 3.4Å; Y96-V100 WeakPolarHBondContact O-CG2 3.3Å; Y96-V100 PolarHBondContact O-N 3.11Å; V100-I141 WeakPolarHBondContact CA-O 3.49Å; V100-I143 HydrophobicContact CG1-CD1 3.74Å; V100-I143 HydrophobicContact CG1-CG1 4.29Å
101L90.7Very high78.9Confident34 Ų3466 Ų6618%0.17833%0.326CS..EExtended strand (participates in β ladder)trans-111.3113.7169176.765.8000108.5L103 F121 I141 I142 I143L101-L103 HydrophobicContact CD1-CD2 4.07Å; L101-L103 HydrophobicContact CD1-CG 4.24Å; L101-L103 HydrophobicContact CD2-CD1 3.96Å; L101-L103 HydrophobicContact CD2-CG 4.21Å; L101-L103 HydrophobicContact CG-CD1 4.29Å; L101-L103 HydrophobicContact CG-CD2 4.36Å; L101-L103 HydrophobicContact CG-CG 3.98Å; L101-F121 HydrophobicContact CB-CD1 3.63Å; L101-F121 HydrophobicContact CB-CD2 4.1Å; L101-F121 HydrophobicContact CB-CE1 3.55Å; L101-F121 HydrophobicContact CB-CE2 4.04Å; L101-F121 HydrophobicContact CB-CG 3.89Å; L101-F121 HydrophobicContact CB-CZ 3.77Å; L101-F121 HydrophobicContact CD2-CB 3.64Å; L101-F121 HydrophobicContact CD2-CD1 3.95Å; L101-F121 HydrophobicContact CD2-CD2 4.34Å; L101-F121 HydrophobicContact CD2-CG 3.72Å; L101-F121 HydrophobicContact CG-CD1 4.43Å; L101-F121 HydrophobicContact CG-CG 4.36Å; L101-I141 PolarHBondContact N-O 3.31Å; L101-I142 HydrophobicContact CB-CG1 4.37Å; L101-I142 HydrophobicContact CD2-CG2 4.4Å; L101-I142 CarbonylContact O-C 3.58Å; L101-I142 WeakPolarHBondContact O-CA 3.4Å; L101-I143 PolarHBondContact O-N 2.9Å
102E90.8Very high78.2Confident99 Ų9972.3 Ų72.346%0.46336%0.355SS..EExtended strand (participates in β ladder)trans-97.3124.1170.9-178.4-175.1-17800108.7
103L88.4Confident77.6Confident8 Ų874.4 Ų74.44%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-127.4130.6171.7-61.4172.6000108.7L101 K117 V118 I143 L144 D145L101-L103 HydrophobicContact CD1-CD2 4.07Å; L101-L103 HydrophobicContact CD1-CG 4.24Å; L101-L103 HydrophobicContact CD2-CD1 3.96Å; L101-L103 HydrophobicContact CD2-CG 4.21Å; L101-L103 HydrophobicContact CG-CD1 4.29Å; L101-L103 HydrophobicContact CG-CD2 4.36Å; L101-L103 HydrophobicContact CG-CG 3.98Å; L103-K117 HydrophobicContact CD2-CD 4.24Å; L103-V118 HydrophobicContact CD1-CG2 3.65Å; L103-I143 PolarHBondContact N-O 2.91Å; L103-L144 HydrophobicContact CB-CD2 3.89Å; L103-L144 HydrophobicContact CD1-CD2 3.97Å; L103-L144 HydrophobicContact CG-CD2 4.41Å; L103-L144 WeakPolarHBondContact O-CA 3.36Å; L103-D145 PolarHBondContact O-N 3.4Å
104N86.3Confident77.3Confident43 Ų4369.2 Ų69.223%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-85.4114.9165.2-169.41.7000108.7S106 D107 E108N104-S106 PolarHBondContact ND2-OG 3.01Å; N104-S106 PolarHBondContact O-N 2.97Å; N104-S106 PolarHBondContact OD1-N 3.23Å; N104-S106 PolarHBondContact OD1-OG 3.44Å; N104-D107 HydrophobicContact CB-CB 4.37Å; N104-D107 PolarHBondContact ND2-OD2 3.4Å; N104-D107 PolarHBondContact O-N 3.03Å; N104-E108 PolarHBondContact O-N 3.39Å
105A71.8Confident77.1Confident5 Ų570.8 Ų70.84%0.04133%0.331CS..THydrogen-bonded Turntrans-70.6-20.1-173.700000113.1I114 D145 M150A105-I114 HydrophobicContact CB-CD1 4.46Å; A105-D145 VanDerWaalsContact CB-O 3.24Å; A105-D145 WeakPolarHBondContact CB-O 3.37Å; A105-D145 PolarHBondContact N-O 3.15Å; A105-M150 HydrophobicContact CB-CG 3.55Å; A105-M150 HydrophobicContact CB-SD 4.01Å
106S70.5Confident77.1Confident30 Ų3074.9 Ų74.921%0.2135%0.35CS..THydrogen-bonded Turntrans-78.8-31.7176.7610000113.7N104 R109 E146N104-S106 PolarHBondContact ND2-OG 3.01Å; N104-S106 PolarHBondContact O-N 2.97Å; N104-S106 PolarHBondContact OD1-N 3.23Å; N104-S106 PolarHBondContact OD1-OG 3.44Å; S106-R109 WeakPolarHBondContact O-CG 3.37Å; S106-E146 WeakPolarHBondContact CB-OE2 3.39Å; S106-E146 PolarHBondContact OG-OE2 3.29Å
107D65.1Low77.1Confident125 Ų12577.3 Ų77.367%0.66836%0.361SS*.THydrogen-bonded Turntrans-79.7-39.8179.4-69.2-41000111.3N104 R109N104-D107 HydrophobicContact CB-CB 4.37Å; N104-D107 PolarHBondContact ND2-OD2 3.4Å; N104-D107 PolarHBondContact O-N 3.03Å; D107-R109 VanDerWaalsContact C-N 3.34Å; D107-R109 PolarHBondContact O-N 2.83Å
108E62.2Low77.2Confident50 Ų5066.8 Ų66.823%0.23432%0.322CS..  trans-92.655-179-59.2-160.9177.200112.3N104 G110 I114 K117N104-E108 PolarHBondContact O-N 3.39Å; E108-G110 PolarHBondContact O-N 3.07Å; E108-I114 HydrophobicContact CB-CG1 4.19Å; E108-I114 VanDerWaalsContact O-CD1 3.27Å; E108-I114 WeakPolarHBondContact O-CD1 3.46Å; E108-I114 WeakPolarHBondContact O-CG1 3.49Å; E108-K117 IonicContact OE1-NZ 3.68Å; E108-K117 PolarHBondContact OE1-NZ 2.92Å; E108-K117 WeakPolarHBondContact OE2-CD 3.36Å; E108-K117 IonicContact OE2-NZ 3.29Å; E108-K117 PolarHBondContact OE2-NZ 2.91Å
109R56.6Low77.2Confident214 Ų21465 Ų6581%0.80831%0.312SS*.  trans-57.5-12.8-172-60.9-176.2-73.3173.4-2.4116.3S106 D107 I111S106-R109 WeakPolarHBondContact O-CG 3.37Å; D107-R109 VanDerWaalsContact C-N 3.34Å; D107-R109 PolarHBondContact O-N 2.83Å; R109-I111 PolarHBondContact O-N 3.37Å
110G62.2Low77.2Confident33 Ų3369.4 Ų69.434%0.3434%0.336SS..  trans-71108.9176.200000110.9E108 Q112 V113 I114E108-G110 PolarHBondContact O-N 3.07Å; G110-Q112 PolarHBondContact O-N 3.28Å; G110-V113 PolarHBondContact O-N 3.44Å; G110-I114 PolarHBondContact O-N 3.49Å; G110-I114 VanDerWaalsContact O-N 3.16Å
111I67.9Low77.1Confident76 Ų7670.1 Ų70.139%0.3934%0.338SS..Hα-helixtrans-45.2-38.5171.9-58.2178.3000110.9R109 R115 A154R109-I111 PolarHBondContact O-N 3.37Å; I111-R115 VanDerWaalsContact O-CB 3.25Å; I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 PolarHBondContact O-N 3.29Å; I111-A154 HydrophobicContact CB-CB 4.5Å; I111-A154 HydrophobicContact CG1-CB 4.2Å; I111-A154 HydrophobicContact CG2-CB 4.07Å
112Q70.5Confident76.7Confident133 Ų13368.5 Ų68.562%0.62133%0.329SS*.Hα-helixtrans-73.4-37.4-180-166.3168.3-4.700113.2G110 R115 E116G110-Q112 PolarHBondContact O-N 3.28Å; Q112-R115 PolarHBondContact O-N 3.39Å; Q112-E116 HydrophobicContact CG-CG 4.37Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.33Å; Q112-E116 PolarHBondContact NE2-OE1 3.49Å; Q112-E116 WeakPolarHBondContact O-CB 3.22Å; Q112-E116 WeakPolarHBondContact O-CG 3.38Å; Q112-E116 PolarHBondContact O-N 3.23Å
113V71.1Confident76.4Confident64 Ų6468 Ų6839%0.38833%0.327SS..Hα-helixtrans-66.5-48.1180-178.80000110.5G110 R115 E116 K117G110-V113 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 3.3Å; V113-E116 PolarHBondContact O-N 3.44Å; V113-K117 HydrophobicContact CG1-CD 4.06Å; V113-K117 HydrophobicContact CG1-CG 4.4Å; V113-K117 WeakPolarHBondContact O-CB 3.43Å; V113-K117 WeakPolarHBondContact O-CG 3.15Å; V113-K117 PolarHBondContact O-N 3.5Å
114I74Confident76.1Confident11 Ų1172.6 Ų72.66%0.05635%0.351CS..Hα-helixtrans-61-46.9176-63.1173.9000109.4A105 E108 G110 E116 V118 M150A105-I114 HydrophobicContact CB-CD1 4.46Å; E108-I114 HydrophobicContact CB-CG1 4.19Å; E108-I114 VanDerWaalsContact O-CD1 3.27Å; E108-I114 WeakPolarHBondContact O-CD1 3.46Å; E108-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 3.49Å; G110-I114 VanDerWaalsContact O-N 3.16Å; I114-E116 PolarHBondContact O-N 3.2Å; I114-V118 HydrophobicContact CG2-CG2 3.94Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.39Å; I114-M150 HydrophobicContact CD1-CE 4.35Å; I114-M150 HydrophobicContact CG2-CE 4.26Å
115R76.3Confident75.4Confident143 Ų14377.3 Ų77.354%0.5438%0.382SS..Hα-helixtrans-59.4-46.6-179.5-175.7-178.5-178.5-165.9-1.2112.2I111 Q112 V113 K119I111-R115 VanDerWaalsContact O-CB 3.25Å; I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 PolarHBondContact O-N 3.29Å; Q112-R115 PolarHBondContact O-N 3.39Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 3.3Å; R115-K119 WeakPolarHBondContact O-CB 3.12Å; R115-K119 PolarHBondContact O-N 3.14Å
116E84.1Confident75.5Confident97 Ų9779.1 Ų79.145%0.45339%0.392SS..Hα-helixtrans-71.9-47.1-177.6-73.4177.9-170.700111.7Q112 V113 I114 K119 N120Q112-E116 HydrophobicContact CG-CG 4.37Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.33Å; Q112-E116 PolarHBondContact NE2-OE1 3.49Å; Q112-E116 WeakPolarHBondContact O-CB 3.22Å; Q112-E116 WeakPolarHBondContact O-CG 3.38Å; Q112-E116 PolarHBondContact O-N 3.23Å; V113-E116 PolarHBondContact O-N 3.44Å; I114-E116 PolarHBondContact O-N 3.2Å; E116-K119 PolarHBondContact O-N 3.04Å; E116-N120 VanDerWaalsContact O-CB 3.26Å; E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 PolarHBondContact O-N 3.13Å; E116-N120 PolarHBondContact O-ND2 3.05Å; E116-N120 PolarHBondContact O-OD1 3.07Å
117K84.4Confident75.1Confident88 Ų8881 Ų8138%0.38341%0.41SS..Hα-helixtrans-62.3-48.6178.2-75.7-173.8-179.2176.70112.4L103 E108 V113 K119 N120 F121L103-K117 HydrophobicContact CD2-CD 4.24Å; E108-K117 IonicContact OE1-NZ 3.68Å; E108-K117 PolarHBondContact OE1-NZ 2.92Å; E108-K117 WeakPolarHBondContact OE2-CD 3.36Å; E108-K117 IonicContact OE2-NZ 3.29Å; E108-K117 PolarHBondContact OE2-NZ 2.91Å; V113-K117 HydrophobicContact CG1-CD 4.06Å; V113-K117 HydrophobicContact CG1-CG 4.4Å; V113-K117 WeakPolarHBondContact O-CB 3.43Å; V113-K117 WeakPolarHBondContact O-CG 3.15Å; V113-K117 PolarHBondContact O-N 3.5Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K117-K119 PolarHBondContact O-N 3.48Å; K117-N120 PolarHBondContact O-N 3.11Å; K117-F121 WeakPolarHBondContact O-CB 3.49Å; K117-F121 PolarHBondContact O-N 3.41Å
118V85.6Confident75Confident1 Ų177 Ų771%0.00640%0.397CS..Hα-helixtrans-62.3-44.2178.7171.50000110.1L103 I114 A122 I142 L144 L158 T161 F171L103-V118 HydrophobicContact CD1-CG2 3.65Å; I114-V118 HydrophobicContact CG2-CG2 3.94Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.39Å; V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.41Å; V118-I142 HydrophobicContact CG1-CD1 3.83Å; V118-I142 HydrophobicContact CG2-CG2 4.38Å; V118-L144 HydrophobicContact CG2-CD2 4.28Å; V118-L158 HydrophobicContact CG1-CD1 3.95Å; V118-T161 HydrophobicContact CG1-CG2 4.19Å; V118-F171 HydrophobicContact CG1-CE1 3.67Å; V118-F171 HydrophobicContact CG1-CZ 4.02Å
119K84.9Confident75Confident94 Ų9478.8 Ų78.841%0.40941%0.412SS..Hα-helixtrans-63.9-48.1178.3-177.2-174.6175.4-163.90111.8R115 E116 K117 F121 A122 Q123R115-K119 WeakPolarHBondContact O-CB 3.12Å; R115-K119 PolarHBondContact O-N 3.14Å; E116-K119 PolarHBondContact O-N 3.04Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K117-K119 PolarHBondContact O-N 3.48Å; K119-F121 VanDerWaalsContact C-N 3.34Å; K119-F121 PolarHBondContact O-N 3.09Å; K119-A122 PolarHBondContact O-N 3.18Å; K119-Q123 WeakPolarHBondContact O-CB 3.14Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.22Å; K119-Q123 PolarHBondContact O-N 2.96Å
120N87.6Confident75.2Confident98 Ų9870.1 Ų70.152%0.52438%0.381SS..Hα-helixtrans-61.2-46.3-179.6-69.1-13000110.4E116 K117 Q123 L124E116-N120 VanDerWaalsContact O-CB 3.26Å; E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 PolarHBondContact O-N 3.13Å; E116-N120 PolarHBondContact O-ND2 3.05Å; E116-N120 PolarHBondContact O-OD1 3.07Å; K117-N120 PolarHBondContact O-N 3.11Å; N120-Q123 PolarHBondContact O-N 3.45Å; N120-L124 WeakPolarHBondContact O-CG 3.28Å; N120-L124 PolarHBondContact O-N 2.93Å
121F87.4Confident75.1Confident26 Ų2673.2 Ų73.211%0.11440%0.395CS..Hα-helixtrans-65.8-41.2177.5-171.8-97.8000112.3L101 K117 K119 Q123 L124 K140 I142L101-F121 HydrophobicContact CB-CD1 3.63Å; L101-F121 HydrophobicContact CB-CD2 4.1Å; L101-F121 HydrophobicContact CB-CE1 3.55Å; L101-F121 HydrophobicContact CB-CE2 4.04Å; L101-F121 HydrophobicContact CB-CG 3.89Å; L101-F121 HydrophobicContact CB-CZ 3.77Å; L101-F121 HydrophobicContact CD2-CB 3.64Å; L101-F121 HydrophobicContact CD2-CD1 3.95Å; L101-F121 HydrophobicContact CD2-CD2 4.34Å; L101-F121 HydrophobicContact CD2-CG 3.72Å; L101-F121 HydrophobicContact CG-CD1 4.43Å; L101-F121 HydrophobicContact CG-CG 4.36Å; K117-F121 WeakPolarHBondContact O-CB 3.49Å; K117-F121 PolarHBondContact O-N 3.41Å; K119-F121 VanDerWaalsContact C-N 3.34Å; K119-F121 PolarHBondContact O-N 3.09Å; F121-Q123 VanDerWaalsContact C-N 3.27Å; F121-Q123 PolarHBondContact O-N 3.17Å; F121-L124 HydrophobicContact CD2-CD1 4.12Å; F121-L124 PolarHBondContact O-N 3.38Å; F121-K140 HydrophobicContact CD1-CD 4.44Å; F121-K140 HydrophobicContact CE1-CB 3.98Å; F121-K140 HydrophobicContact CE1-CD 4Å; F121-K140 HydrophobicContact CE1-CG 4.38Å; F121-K140 HydrophobicContact CZ-CD 4.27Å; F121-K140 PolarHBondContact O-NZ 3.3Å; F121-I142 HydrophobicContact CD1-CD1 3.82Å; F121-I142 HydrophobicContact CD1-CG1 3.67Å; F121-I142 HydrophobicContact CE1-CG1 3.98Å
122A84Confident74.7Confident0 Ų075.1 Ų75.10%041%0.406CS..Hα-helixtrans-64.8-29.5177.600000112.7V118 K119 K140 I142 T161 E165 S168 T169V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.41Å; K119-A122 PolarHBondContact O-N 3.18Å; A122-K140 PolarHBondContact O-NZ 2.88Å; A122-I142 HydrophobicContact CB-CD1 4.27Å; A122-T161 HydrophobicContact CB-CG2 4.22Å; A122-E165 HydrophobicContact CB-CB 4.04Å; A122-E165 HydrophobicContact CB-CG 3.88Å; A122-S168 PolarHBondContact O-OG 3.09Å; A122-T169 HydrophobicContact CB-CG2 4.35Å; A122-T169 PolarHBondContact O-OG1 2.91Å
123Q82.8Confident74.2Confident90 Ų9071.6 Ų71.642%0.42141%0.405SS..Hα-helixtrans-79.4-17.4177.2-72.3-179.8-20.500114.5K119 N120 F121 T125K119-Q123 WeakPolarHBondContact O-CB 3.14Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.22Å; K119-Q123 PolarHBondContact O-N 2.96Å; N120-Q123 PolarHBondContact O-N 3.45Å; F121-Q123 VanDerWaalsContact C-N 3.27Å; F121-Q123 PolarHBondContact O-N 3.17Å; Q123-T125 PolarHBondContact O-N 2.91Å
124L82.1Confident73.8Confident103 Ų10375.5 Ų75.554%0.53942%0.417SS..SBendtrans-62.6127.1177.7-66.9174.3000111N120 F121 K140N120-L124 WeakPolarHBondContact O-CG 3.28Å; N120-L124 PolarHBondContact O-N 2.93Å; F121-L124 HydrophobicContact CD2-CD1 4.12Å; F121-L124 PolarHBondContact O-N 3.38Å; L124-K140 WeakPolarHBondContact O-CE 3.47Å; L124-K140 PolarHBondContact O-NZ 2.96Å
125T72.3Confident73.3Confident142 Ų14280.9 Ų80.987%0.87145%0.453SS*.  trans-82.3138.1177.2-54.50000109.9Q123Q123-T125 PolarHBondContact O-N 2.91Å
126V73.1Confident73Confident44 Ų4474.4 Ų74.427%0.26743%0.429SS..  trans-123.2136.6-178.8-174.70000109.5R99 K140R99-V126 HydrophobicContact CG-CG1 4.02Å; R99-V126 VanDerWaalsContact NE-CG1 3.35Å; V126-K140 HydrophobicContact CB-CG 4.48Å; V126-K140 HydrophobicContact CG2-CD 3.51Å; V126-K140 HydrophobicContact CG2-CG 3.55Å
127A63.3Low72.6Confident70 Ų7071 Ų7158%0.57942%0.416SS*.  trans-70.8145.4177.500000111.7R99 T129R99-A127 PolarHBondContact NH2-O 2.92Å; A127-T129 PolarHBondContact O-N 2.95Å
128G62.1Low72.3Confident39 Ų3971 Ų7140%0.40243%0.425SS..SBendtrans-77.28.9-178.700000115.9C136G128-C136 PolarHBondContact O-N 3.1Å; G128-C136 VanDerWaalsContact O-O 3.05Å
129T62Low72.3Confident89 Ų8971.3 Ų71.355%0.54643%0.426SS..BIsolated β-bridgetrans-132.4138.7-169.8-27.90000110.9A127A127-T129 PolarHBondContact O-N 2.95Å
130H61.6Low72.5Confident31 Ų3167 Ų6714%0.14441%0.407CS..  trans-65.8153.3165.6-94.1-87.9000110.9Y91 L95 N132 G133 K134Y91-H130 PolarHBondContact O-CE1 3.31Å; L95-H130 WeakPolarHBondContact CD1-CE1 3.41Å; L95-H130 VanDerWaalsContact CD1-ND1 3.31Å; L95-H130 WeakPolarHBondContact CD1-ND1 3.15Å; H130-N132 PolarHBondContact O-N 2.87Å; H130-N132 VanDerWaalsContact O-N 3.13Å; H130-G133 PolarHBondContact O-N 3.45Å; H130-G133 VanDerWaalsContact O-N 3.09Å; H130-K134 HydrophobicContact CB-CB 4.27Å; H130-K134 WeakPolarHBondContact CB-O 3.4Å; H130-K134 PolarHBondContact N-O 3.42Å
131P59.9Low72.7Confident99 Ų9962.5 Ų62.564%0.64338%0.383SS*.THydrogen-bonded Turntrans-53.9-28.9165.3-22.933000112.6
132N60.6Low73Confident115 Ų11561.3 Ų61.362%0.61538%0.378SS*.THydrogen-bonded Turntrans-9112.6-178-57.7-16.8000113.7H130 K134H130-N132 PolarHBondContact O-N 2.87Å; H130-N132 VanDerWaalsContact O-N 3.13Å; N132-K134 VanDerWaalsContact C-N 3.26Å; N132-K134 PolarHBondContact O-N 3.14Å
133G60Low73.4Confident59 Ų5961.3 Ų61.361%0.60838%0.378SS*.SBendtrans75.9-1.3176.100000116.4H130H130-G133 PolarHBondContact O-N 3.45Å; H130-G133 VanDerWaalsContact O-N 3.09Å
134K61.9Low73.9Confident146 Ų14657.1 Ų57.164%0.63536%0.358SS*.  trans-72.9143.1172.6-68.4-173179.5-176.60111.4H130 N132 C136H130-K134 HydrophobicContact CB-CB 4.27Å; H130-K134 WeakPolarHBondContact CB-O 3.4Å; H130-K134 PolarHBondContact N-O 3.42Å; N132-K134 VanDerWaalsContact C-N 3.26Å; N132-K134 PolarHBondContact O-N 3.14Å; K134-C136 PolarHBondContact O-N 3.27Å
135P63.2Low74.4Confident125 Ų12553.4 Ų53.481%0.81234%0.339SS*.BIsolated β-bridgetrans-63.3124.8172.725-30.5000109.1
136C69.8Low75.2Confident7 Ų750.1 Ų50.15%0.04731%0.314CS..  trans-112.3137.3174.8-163.90000107.6L95 R99 G128 K134L95-C136 HydrophobicContact CD1-CB 4.49Å; R99-C136 PolarHBondContact NH1-SG 3.29Å; G128-C136 PolarHBondContact O-N 3.1Å; G128-C136 VanDerWaalsContact O-O 3.05Å; K134-C136 PolarHBondContact O-N 3.27Å
137P75.4Confident76.1Confident26 Ų2648.1 Ų48.117%0.16930%0.302CS..  trans-56134.3177.9-2331.4000111.1L90 R99 F139L90-P137 HydrophobicContact CD1-CG 3.51Å; L90-P137 HydrophobicContact CD2-CG 4.01Å; L90-P137 HydrophobicContact CG-CG 3.75Å; R99-P137 PolarHBondContact NH1-O 3.48Å; P137-F139 HydrophobicContact CB-CD1 3.77Å; P137-F139 HydrophobicContact CB-CE1 3.36Å; P137-F139 HydrophobicContact CB-CE2 4.23Å; P137-F139 HydrophobicContact CB-CG 4.37Å; P137-F139 HydrophobicContact CB-CZ 3.6Å; P137-F139 HydrophobicContact CG-CE1 4.39Å; P137-F139 HydrophobicContact CG-CZ 4.29Å; P137-F139 PolarHBondContact O-N 2.69Å
138P79.1Confident77.4Confident88 Ų8846 Ų4657%0.57128%0.281SS*.SBendtrans-79.834.3-174.634.8-37.8000112.4
139F85.6Confident78.6Confident7 Ų747.7 Ų47.73%0.03129%0.287CS..  trans-133165.5176.959.9-102.3000111.3L66 L90 Y91 P137 I141 S168 R170L66-F139 HydrophobicContact CB-CE1 4.27Å; L66-F139 HydrophobicContact CB-CE2 4.23Å; L66-F139 HydrophobicContact CB-CZ 3.65Å; L66-F139 HydrophobicContact CD2-CE2 3.87Å; L66-F139 HydrophobicContact CD2-CZ 4.03Å; L90-F139 HydrophobicContact CD2-CE2 3.97Å; L90-F139 HydrophobicContact CD2-CZ 4.09Å; Y91-F139 VanDerWaalsContact OH-CD2 3.29Å; Y91-F139 WeakPolarHBondContact OH-CD2 3.37Å; Y91-F139 WeakPolarHBondContact OH-CE2 3.1Å; Y91-F139 PolarHBondContact OH-O 2.96Å; P137-F139 HydrophobicContact CB-CD1 3.77Å; P137-F139 HydrophobicContact CB-CE1 3.36Å; P137-F139 HydrophobicContact CB-CE2 4.23Å; P137-F139 HydrophobicContact CB-CG 4.37Å; P137-F139 HydrophobicContact CB-CZ 3.6Å; P137-F139 HydrophobicContact CG-CE1 4.39Å; P137-F139 HydrophobicContact CG-CZ 4.29Å; P137-F139 PolarHBondContact O-N 2.69Å; F139-I141 HydrophobicContact CD2-CG1 4.33Å; F139-I141 HydrophobicContact CE2-CD1 4.33Å; F139-I141 HydrophobicContact CE2-CG1 4.17Å; F139-S168 CarbonylContact C-O 3.57Å; F139-S168 VanDerWaalsContact CA-O 3.23Å; F139-S168 WeakPolarHBondContact CA-O 3.49Å; F139-R170 HydrophobicContact CB-CG 4.27Å; F139-R170 HydrophobicContact CD1-CG 4.45Å; F139-R170 HydrophobicContact CD2-CB 4.29Å; F139-R170 HydrophobicContact CD2-CG 3.63Å; F139-R170 HydrophobicContact CE2-CG 4.03Å; F139-R170 HydrophobicContact CG-CG 3.88Å
140K89.8Confident79.7Confident3 Ų344.2 Ų44.21%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-107.8162.9170.9-64.9163.8-73.31790110.2R99 F121 A122 L124 V126 S168 T169 R170R99-K140 WeakPolarHBondContact O-CA 3.4Å; R99-K140 WeakPolarHBondContact O-CB 3.35Å; F121-K140 HydrophobicContact CD1-CD 4.44Å; F121-K140 HydrophobicContact CE1-CB 3.98Å; F121-K140 HydrophobicContact CE1-CD 4Å; F121-K140 HydrophobicContact CE1-CG 4.38Å; F121-K140 HydrophobicContact CZ-CD 4.27Å; F121-K140 PolarHBondContact O-NZ 3.3Å; A122-K140 PolarHBondContact O-NZ 2.88Å; L124-K140 WeakPolarHBondContact O-CE 3.47Å; L124-K140 PolarHBondContact O-NZ 2.96Å; V126-K140 HydrophobicContact CB-CG 4.48Å; V126-K140 HydrophobicContact CG2-CD 3.51Å; V126-K140 HydrophobicContact CG2-CG 3.55Å; K140-S168 WeakPolarHBondContact CE-O 3.23Å; K140-S168 PolarHBondContact N-O 3.16Å; K140-T169 WeakPolarHBondContact CE-OG1 3.48Å; K140-R170 PolarHBondContact O-N 3.29Å
141I91.1Very high80.9Confident4 Ų446.2 Ų46.22%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-117.1129.6173.1-64.8173.3000109.6L66 A87 L90 Y91 R99 V100 L101 F139 I143 R170L66-I141 HydrophobicContact CD2-CD1 4.03Å; A87-I141 HydrophobicContact CB-CD1 4.41Å; L90-I141 HydrophobicContact CD2-CD1 4.13Å; Y91-I141 HydrophobicContact CE2-CB 4.36Å; Y91-I141 HydrophobicContact CE2-CD1 3.76Å; Y91-I141 HydrophobicContact CE2-CG1 3.99Å; Y91-I141 WeakPolarHBondContact OH-CG1 3.25Å; R99-I141 PolarHBondContact O-N 3.31Å; V100-I141 WeakPolarHBondContact CA-O 3.49Å; L101-I141 PolarHBondContact N-O 3.31Å; F139-I141 HydrophobicContact CD2-CG1 4.33Å; F139-I141 HydrophobicContact CE2-CD1 4.33Å; F139-I141 HydrophobicContact CE2-CG1 4.17Å; I141-I143 HydrophobicContact CG2-CD1 4.5Å; I141-I143 HydrophobicContact CG2-CG1 3.81Å; I141-R170 WeakPolarHBondContact CA-O 3.37Å
142I92.6Very high82.2Confident0 Ų044.4 Ų44.40%027%0.272CS..EExtended strand (participates in β ladder)trans-109.3119.6167.7-59-178.1000107.8L101 V118 F121 A122 L144 T169 R170 F171 C172L101-I142 HydrophobicContact CB-CG1 4.37Å; L101-I142 HydrophobicContact CD2-CG2 4.4Å; L101-I142 CarbonylContact O-C 3.58Å; L101-I142 WeakPolarHBondContact O-CA 3.4Å; V118-I142 HydrophobicContact CG1-CD1 3.83Å; V118-I142 HydrophobicContact CG2-CG2 4.38Å; F121-I142 HydrophobicContact CD1-CD1 3.82Å; F121-I142 HydrophobicContact CD1-CG1 3.67Å; F121-I142 HydrophobicContact CE1-CG1 3.98Å; A122-I142 HydrophobicContact CB-CD1 4.27Å; I142-L144 HydrophobicContact CG2-CD2 3.98Å; I142-L144 HydrophobicContact CG2-CG 4.2Å; I142-T169 HydrophobicContact CD1-CG2 3.58Å; I142-T169 HydrophobicContact CG1-CG2 3.65Å; I142-R170 PolarHBondContact N-O 3.26Å; I142-F171 HydrophobicContact CB-CD1 4.03Å; I142-F171 HydrophobicContact CB-CE1 4.09Å; I142-F171 HydrophobicContact CD1-CE1 3.87Å; I142-F171 HydrophobicContact CD1-CZ 3.94Å; I142-F171 HydrophobicContact CG1-CE1 4.49Å; I142-F171 HydrophobicContact CG2-CD1 4.25Å; I142-F171 HydrophobicContact CG2-CE1 4.21Å; I142-F171 CarbonylContact O-C 3.48Å; I142-F171 WeakPolarHBondContact O-CA 3.36Å; I142-C172 PolarHBondContact O-N 3.48Å
143I94.1Very high83.5Confident0 Ų043 Ų430%027%0.269CS..EExtended strand (participates in β ladder)trans-102.2118.8177.6-51.9172.4000107.3I83 L84 V100 L101 L103 I141 C172 I174I83-I143 HydrophobicContact CB-CD1 4.47Å; I83-I143 HydrophobicContact CG1-CD1 3.75Å; I83-I143 HydrophobicContact CG1-CG1 3.92Å; I83-I143 HydrophobicContact CG2-CD1 3.97Å; I83-I143 HydrophobicContact CG2-CG1 4.45Å; I83-I143 HydrophobicContact CG2-CG2 3.99Å; L84-I143 HydrophobicContact CD2-CD1 3.64Å; L84-I143 HydrophobicContact CG-CD1 4.45Å; V100-I143 HydrophobicContact CG1-CD1 3.74Å; V100-I143 HydrophobicContact CG1-CG1 4.29Å; L101-I143 PolarHBondContact O-N 2.9Å; L103-I143 PolarHBondContact N-O 2.91Å; I141-I143 HydrophobicContact CG2-CD1 4.5Å; I141-I143 HydrophobicContact CG2-CG1 3.81Å; I143-C172 WeakPolarHBondContact CA-O 3.48Å; I143-C172 HydrophobicContact CG1-CB 4.46Å; I143-I174 HydrophobicContact CG2-CD1 3.9Å; I143-I174 HydrophobicContact CG2-CG1 4.48Å
144L92.1Very high84.7Confident2 Ų240.6 Ų40.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-109.3102.6173.3-60.3-178.9000107.8L103 V118 I142 L158 C172 L173 I174L103-L144 HydrophobicContact CB-CD2 3.89Å; L103-L144 HydrophobicContact CD1-CD2 3.97Å; L103-L144 HydrophobicContact CG-CD2 4.41Å; L103-L144 WeakPolarHBondContact O-CA 3.36Å; V118-L144 HydrophobicContact CG2-CD2 4.28Å; I142-L144 HydrophobicContact CG2-CD2 3.98Å; I142-L144 HydrophobicContact CG2-CG 4.2Å; L144-L158 HydrophobicContact CD1-CD1 3.82Å; L144-L158 HydrophobicContact CD1-CD2 3.39Å; L144-L158 HydrophobicContact CD1-CG 4.25Å; L144-C172 PolarHBondContact N-O 3.49Å; L144-L173 HydrophobicContact CB-CD2 3.98Å; L144-L173 HydrophobicContact CD1-CD2 3.69Å; L144-L173 HydrophobicContact CG-CD2 4.19Å; L144-I174 PolarHBondContact O-N 3.31Å
145D92.3Very high86Confident26 Ų2633.8 Ų33.814%0.13921%0.214CC..EExtended strand (participates in β ladder)trans-81.8151.1174.1-147.4-12.3000110.7T80 L103 A105 A147 I174T80-D145 WeakPolarHBondContact CG2-OD2 3.38Å; T80-D145 PolarHBondContact OG1-OD2 2.9Å; L103-D145 PolarHBondContact O-N 3.4Å; A105-D145 VanDerWaalsContact CB-O 3.24Å; A105-D145 WeakPolarHBondContact CB-O 3.37Å; A105-D145 PolarHBondContact N-O 3.15Å; D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.04Å; D145-I174 WeakPolarHBondContact OD1-CB 3.42Å; D145-I174 WeakPolarHBondContact OD1-CG2 3.21Å
146E90.5Very high87.2Confident72 Ų7230 Ų3034%0.33619%0.193SC..THydrogen-bonded Turntrans51.941.7-177-55.6-174.7178.500113.7S106 D148 S149 I174S106-E146 WeakPolarHBondContact CB-OE2 3.39Å; S106-E146 PolarHBondContact OG-OE2 3.29Å; E146-D148 PolarHBondContact O-N 3.26Å; E146-D148 VanDerWaalsContact O-N 3.1Å; E146-S149 WeakPolarHBondContact O-CB 3.27Å; E146-S149 PolarHBondContact O-N 3.14Å; E146-I174 PolarHBondContact N-O 3.5Å
147A90.6Very high87.9Confident3 Ų330.8 Ų30.83%0.02520%0.2CC..G310 helixtrans-62.1-18.9-178.500000113.4D145 S149 M150 L173 I174 I181D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.04Å; A147-S149 VanDerWaalsContact C-N 3.26Å; A147-S149 PolarHBondContact O-N 3.32Å; A147-M150 HydrophobicContact CB-SD 4.48Å; A147-M150 WeakPolarHBondContact O-CB 3.25Å; A147-M150 PolarHBondContact O-N 2.97Å; A147-L173 HydrophobicContact CB-CB 4.4Å; A147-I174 WeakPolarHBondContact CB-O 3.5Å; A147-I174 PolarHBondContact N-O 3.37Å; A147-I181 HydrophobicContact CB-CD1 3.96Å; A147-I181 WeakPolarHBondContact O-CD1 3.33Å
148D90.3Very high88.5Confident26 Ų2629.9 Ų29.914%0.13919%0.194CC..G310 helixtrans-69.2-20.3172.345.9-16.1000113.8E146 M150 C175 N176 Y177 R180E146-D148 PolarHBondContact O-N 3.26Å; E146-D148 VanDerWaalsContact O-N 3.1Å; D148-M150 VanDerWaalsContact C-N 3.27Å; D148-C175 HydrophobicContact CB-CB 3.8Å; D148-N176 PolarHBondContact OD2-N 3.08Å; D148-Y177 PolarHBondContact OD2-N 3.46Å; D148-R180 HydrophobicContact CB-CB 3.61Å; D148-R180 HydrophobicContact CB-CG 4.15Å
149S88.5Confident89Confident74 Ų7430 Ų3052%0.51718%0.183SC..G310 helixtrans-80.5-7.3172.9-61.70000112.9E146 A147E146-S149 WeakPolarHBondContact O-CB 3.27Å; E146-S149 PolarHBondContact O-N 3.14Å; A147-S149 VanDerWaalsContact C-N 3.26Å; A147-S149 PolarHBondContact O-N 3.32Å
150M85.8Confident89.1Confident16 Ų1638.5 Ų38.58%0.07922%0.215CC..SBendtrans-74.6137.7178.2-66.3-177.267.500112.1A105 I114 A147 D148 A154 Q155A105-M150 HydrophobicContact CB-CG 3.55Å; A105-M150 HydrophobicContact CB-SD 4.01Å; I114-M150 HydrophobicContact CD1-CE 4.35Å; I114-M150 HydrophobicContact CG2-CE 4.26Å; A147-M150 HydrophobicContact CB-SD 4.48Å; A147-M150 WeakPolarHBondContact O-CB 3.25Å; A147-M150 PolarHBondContact O-N 2.97Å; D148-M150 VanDerWaalsContact C-N 3.27Å; M150-A154 HydrophobicContact CE-CB 3.71Å; M150-Q155 HydrophobicContact CB-CG 3.81Å; M150-Q155 PolarHBondContact O-NE2 3.14Å
151T86.8Confident89Confident73 Ų7339.2 Ų39.245%0.44822%0.22SC..  trans-66147.5171.764.70000111.4P153 A154 Q155T151-P153 VanDerWaalsContact C-CD 3.43Å; T151-P153 VanDerWaalsContact C-N 3.31Å; T151-A154 WeakPolarHBondContact O-CB 3.35Å; T151-A154 PolarHBondContact O-N 2.71Å; T151-Q155 PolarHBondContact O-N 3.4Å; T151-Q155 VanDerWaalsContact O-N 3.1Å
152A87.1Confident88.9Confident60 Ų6039.1 Ų39.150%0.49622%0.219SC..Hα-helixtrans-53.8-38.4179.400000114.1A154 Q155 A156 I182A152-A154 PolarHBondContact O-N 2.98Å; A152-Q155 PolarHBondContact O-N 3.32Å; A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 3.27Å; A152-I182 HydrophobicContact CB-CG2 4.45Å
153P86.7Confident88.7Confident85 Ų8542.8 Ų42.855%0.55224%0.236SC*.Hα-helixtrans-62.4-37173.3-24.535.7000113.9T151 A156 A157T151-P153 VanDerWaalsContact C-CD 3.43Å; T151-P153 VanDerWaalsContact C-N 3.31Å; P153-A156 PolarHBondContact O-N 3.12Å; P153-A157 PolarHBondContact O-N 3.29Å
154A85.3Confident88.5Confident9 Ų950.1 Ų50.17%0.07427%0.268CS..Hα-helixtrans-66.9-42.7176.600000111.3I111 M150 T151 A152 A156 A157 L158I111-A154 HydrophobicContact CB-CB 4.5Å; I111-A154 HydrophobicContact CG1-CB 4.2Å; I111-A154 HydrophobicContact CG2-CB 4.07Å; M150-A154 HydrophobicContact CE-CB 3.71Å; T151-A154 WeakPolarHBondContact O-CB 3.35Å; T151-A154 PolarHBondContact O-N 2.71Å; A152-A154 PolarHBondContact O-N 2.98Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 3.41Å; A154-A157 PolarHBondContact O-N 3.26Å; A154-L158 PolarHBondContact O-N 2.61Å
155Q89.5Confident88.2Confident4 Ų451.6 Ų51.62%0.01928%0.275CS..Hα-helixtrans-61.8-40.5174.7-64.6-173.131.300111.9M150 T151 A152 A157 L158 R159 R180 I182 L185M150-Q155 HydrophobicContact CB-CG 3.81Å; M150-Q155 PolarHBondContact O-NE2 3.14Å; T151-Q155 PolarHBondContact O-N 3.4Å; T151-Q155 VanDerWaalsContact O-N 3.1Å; A152-Q155 PolarHBondContact O-N 3.32Å; Q155-A157 VanDerWaalsContact C-N 3.34Å; Q155-A157 PolarHBondContact O-N 3.47Å; Q155-L158 WeakPolarHBondContact O-CB 3.42Å; Q155-L158 PolarHBondContact O-N 2.91Å; Q155-R159 PolarHBondContact O-N 3.46Å; Q155-R180 PolarHBondContact NE2-O 3.3Å; Q155-I182 HydrophobicContact CB-CD1 3.8Å; Q155-I182 HydrophobicContact CB-CG1 3.99Å; Q155-I182 HydrophobicContact CB-CG2 4.38Å; Q155-L185 HydrophobicContact CB-CD1 3.73Å; Q155-L185 HydrophobicContact CG-CD1 4.18Å
156A87.8Confident87.8Confident45 Ų4552.8 Ų52.837%0.37229%0.286SS..Hα-helixtrans-65-36175.700000112.8A152 P153 A154 I182A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 3.27Å; P153-A156 PolarHBondContact O-N 3.12Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 3.41Å; A156-I182 HydrophobicContact CB-CD1 4.47Å
157A85.3Confident87.5Confident23 Ų2360.5 Ų60.519%0.1931%0.311CS..Hα-helixtrans-67.6-42.6173.700000111.7P153 A154 Q155 R159 R160P153-A157 PolarHBondContact O-N 3.29Å; A154-A157 PolarHBondContact O-N 3.26Å; Q155-A157 VanDerWaalsContact C-N 3.34Å; Q155-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.98Å; A157-R160 PolarHBondContact O-N 3.2Å
158L87.8Confident87.3Confident8 Ų862 Ų624%0.04232%0.322CS..Hα-helixtrans-59.3-43.6177.1-178.467.9000111.7V118 L144 A154 Q155 R160 T161 M162 F171 L173 L185V118-L158 HydrophobicContact CG1-CD1 3.95Å; L144-L158 HydrophobicContact CD1-CD1 3.82Å; L144-L158 HydrophobicContact CD1-CD2 3.39Å; L144-L158 HydrophobicContact CD1-CG 4.25Å; A154-L158 PolarHBondContact O-N 2.61Å; Q155-L158 WeakPolarHBondContact O-CB 3.42Å; Q155-L158 PolarHBondContact O-N 2.91Å; L158-R160 VanDerWaalsContact C-N 3.28Å; L158-R160 PolarHBondContact O-N 2.99Å; L158-T161 WeakPolarHBondContact O-CB 3.44Å; L158-T161 PolarHBondContact O-N 3.44Å; L158-M162 HydrophobicContact CD1-CG 4.41Å; L158-M162 HydrophobicContact CD2-SD 4.16Å; L158-M162 HydrophobicContact CG-CG 4.14Å; L158-M162 HydrophobicContact CG-SD 3.96Å; L158-M162 WeakPolarHBondContact O-CG 3.38Å; L158-M162 PolarHBondContact O-N 3.2Å; L158-F171 HydrophobicContact CD1-CD1 4.16Å; L158-F171 HydrophobicContact CD1-CE1 3.68Å; L158-L173 HydrophobicContact CD2-CD2 4Å; L158-L185 HydrophobicContact CD2-CD1 4.28Å
159R89.6Confident87.2Confident89 Ų8960.8 Ų60.834%0.33632%0.315SS..Hα-helixtrans-49.6-46.8177.5180-159.7164.2-179.7-8.3112.5Q155 A157 T161 M162 E163 P184 L185Q155-R159 PolarHBondContact O-N 3.46Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.98Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 3.36Å; R159-M162 PolarHBondContact O-N 3.19Å; R159-E163 IonicContact CZ-OE1 2.64Å; R159-E163 IonicContact NE-OE1 2.9Å; R159-E163 PolarHBondContact NE-OE1 2.82Å; R159-E163 IonicContact NH2-OE1 3.58Å; R159-E163 PolarHBondContact NH2-OE1 2.81Å; R159-E163 WeakPolarHBondContact O-CG 3.45Å; R159-E163 PolarHBondContact O-N 3.26Å; R159-P184 HydrophobicContact CG-CB 4.32Å; R159-L185 HydrophobicContact CB-CD2 3.77Å; R159-L185 HydrophobicContact CG-CD2 4.4Å
160R86.7Confident87.4Confident186 Ų18659.1 Ų59.170%0.70230%0.298SS*.Hα-helixtrans-62.9-39.5-179.3-65.6-177.3-175.2175.22.1111.6A157 L158 K164A157-R160 PolarHBondContact O-N 3.2Å; L158-R160 VanDerWaalsContact C-N 3.28Å; L158-R160 PolarHBondContact O-N 2.99Å; R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 3.2Å
161T88Confident87.7Confident19 Ų1958.4 Ų58.412%0.11729%0.294CS..Hα-helixtrans-67.9-41.9176.7-51.80000111.1V118 A122 L158 R159 E163 K164 E165 F171V118-T161 HydrophobicContact CG1-CG2 4.19Å; A122-T161 HydrophobicContact CB-CG2 4.22Å; L158-T161 WeakPolarHBondContact O-CB 3.44Å; L158-T161 PolarHBondContact O-N 3.44Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 3.36Å; T161-E163 VanDerWaalsContact C-N 3.34Å; T161-E163 PolarHBondContact O-N 2.67Å; T161-K164 PolarHBondContact O-N 3.27Å; T161-E165 HydrophobicContact CG2-CG 4.27Å; T161-E165 WeakPolarHBondContact O-CB 3.41Å; T161-E165 PolarHBondContact O-N 2.84Å; T161-F171 HydrophobicContact CG2-CZ 4.32Å
162M90.1Very high88.1Confident1 Ų155 Ų551%0.00527%0.273CS..Hα-helixtrans-61-41176.4-68.1-177.558.700112.6N68 L158 R159 S166 F171 L185N68-M162 HydrophobicContact CB-CE 4.07Å; L158-M162 HydrophobicContact CD1-CG 4.41Å; L158-M162 HydrophobicContact CD2-SD 4.16Å; L158-M162 HydrophobicContact CG-CG 4.14Å; L158-M162 HydrophobicContact CG-SD 3.96Å; L158-M162 WeakPolarHBondContact O-CG 3.38Å; L158-M162 PolarHBondContact O-N 3.2Å; R159-M162 PolarHBondContact O-N 3.19Å; M162-S166 WeakPolarHBondContact O-CB 3.24Å; M162-S166 PolarHBondContact O-N 2.86Å; M162-F171 HydrophobicContact CB-CD2 4.19Å; M162-F171 HydrophobicContact CB-CE2 4.15Å; M162-F171 HydrophobicContact CE-CB 3.81Å; M162-F171 HydrophobicContact CE-CD2 4.33Å; M162-F171 HydrophobicContact CE-CG 4.09Å; M162-F171 HydrophobicContact CG-CB 4.42Å; M162-F171 HydrophobicContact CG-CD1 3.84Å; M162-F171 HydrophobicContact CG-CD2 3.56Å; M162-F171 HydrophobicContact CG-CE1 3.91Å; M162-F171 HydrophobicContact CG-CE2 3.64Å; M162-F171 HydrophobicContact CG-CG 3.66Å; M162-F171 HydrophobicContact CG-CZ 3.81Å; M162-F171 HydrophobicContact SD-CB 4.26Å; M162-F171 HydrophobicContact SD-CD1 4.26Å; M162-F171 HydrophobicContact SD-CD2 4.47Å; M162-F171 HydrophobicContact SD-CG 4.07Å; M162-L185 HydrophobicContact CE-CD2 4.49Å; M162-L185 HydrophobicContact SD-CD2 3.5Å; M162-L185 VanDerWaalsContact SD-CD2 3.5Å
163E88.1Confident88.5Confident77 Ų7752.2 Ų52.236%0.3625%0.25SC..Hα-helixtrans-67.4-48.6177-72.2172.9175.100111.3R159 T161 S166 R188R159-E163 IonicContact CZ-OE1 2.64Å; R159-E163 IonicContact NE-OE1 2.9Å; R159-E163 PolarHBondContact NE-OE1 2.82Å; R159-E163 IonicContact NH2-OE1 3.58Å; R159-E163 PolarHBondContact NH2-OE1 2.81Å; R159-E163 WeakPolarHBondContact O-CG 3.45Å; R159-E163 PolarHBondContact O-N 3.26Å; T161-E163 VanDerWaalsContact C-N 3.34Å; T161-E163 PolarHBondContact O-N 2.67Å; E163-S166 PolarHBondContact O-OG 3.05Å; E163-R188 IonicContact OE1-CZ 2.68Å; E163-R188 IonicContact OE1-NE 2.77Å; E163-R188 PolarHBondContact OE1-NE 3.33Å; E163-R188 IonicContact OE1-NH2 2.93Å; E163-R188 PolarHBondContact OE1-NH2 2.95Å
164K88.8Confident88.9Confident154 Ų15448.1 Ų48.167%0.6722%0.224SC*.Hα-helixtrans-66.4-40.9-175.5-173.5177.9175.31760113R160 T161R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 3.2Å; T161-K164 PolarHBondContact O-N 3.27Å
165E86.6Confident89.3Confident33 Ų3347.8 Ų47.815%0.15422%0.22CC..THydrogen-bonded Turntrans-103.516.1-171.8-52.8-60.3160.200113.1A122 T161 R167 S168 T169A122-E165 HydrophobicContact CB-CB 4.04Å; A122-E165 HydrophobicContact CB-CG 3.88Å; T161-E165 HydrophobicContact CG2-CG 4.27Å; T161-E165 WeakPolarHBondContact O-CB 3.41Å; T161-E165 PolarHBondContact O-N 2.84Å; E165-R167 PolarHBondContact O-N 2.8Å; E165-R167 VanDerWaalsContact O-N 3.09Å; E165-S168 PolarHBondContact O-N 3.39Å; E165-S168 VanDerWaalsContact O-N 3.1Å; E165-S168 PolarHBondContact O-OG 3.11Å; E165-T169 PolarHBondContact O-N 3.23Å
166S84.6Confident89.6Confident52 Ų5250.2 Ų50.236%0.36423%0.234SC..THydrogen-bonded Turntrans-56.5-25.7-17851.70000114.9M162 E163M162-S166 WeakPolarHBondContact O-CB 3.24Å; M162-S166 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-OG 3.05Å
167R83.3Confident89.8Confident233 Ų23355.3 Ų55.388%0.87924%0.244SC*.THydrogen-bonded Turntrans-76.6-35.2178.1-66.8-176.8178.4178.4-0.9113.2E165E165-R167 PolarHBondContact O-N 2.8Å; E165-R167 VanDerWaalsContact O-N 3.09Å
168S85.8Confident90.2Very high35 Ų3556.9 Ų56.925%0.24525%0.249CC..THydrogen-bonded Turntrans-103.6-19.5-172.166.90000112.9A122 F139 K140 E165A122-S168 PolarHBondContact O-OG 3.09Å; F139-S168 CarbonylContact C-O 3.57Å; F139-S168 VanDerWaalsContact CA-O 3.23Å; F139-S168 WeakPolarHBondContact CA-O 3.49Å; K140-S168 WeakPolarHBondContact CE-O 3.23Å; K140-S168 PolarHBondContact N-O 3.16Å; E165-S168 PolarHBondContact O-N 3.39Å; E165-S168 VanDerWaalsContact O-N 3.1Å; E165-S168 PolarHBondContact O-OG 3.11Å
169T89.8Confident90.5Very high0 Ų061.4 Ų61.40%028%0.281CS..EExtended strand (participates in β ladder)trans-141.6128.6-168.6-51.90000110.3A122 K140 I142 E165 F171A122-T169 HydrophobicContact CB-CG2 4.35Å; A122-T169 PolarHBondContact O-OG1 2.91Å; K140-T169 WeakPolarHBondContact CE-OG1 3.48Å; I142-T169 HydrophobicContact CD1-CG2 3.58Å; I142-T169 HydrophobicContact CG1-CG2 3.65Å; E165-T169 PolarHBondContact O-N 3.23Å; T169-F171 HydrophobicContact CG2-CD2 4.38Å; T169-F171 HydrophobicContact CG2-CE2 3.87Å; T169-F171 HydrophobicContact CG2-CZ 4.21Å
170R91.8Very high90.6Very high40 Ų4065.4 Ų65.415%0.15130%0.296CS..EExtended strand (participates in β ladder)trans-104.8141.3171-55.5-58.6-179.8122.70.7109.3D65 L66 F139 K140 I141 I142D65-R170 IonicContact OD1-CZ 3.2Å; D65-R170 VanDerWaalsContact OD1-CZ 3.29Å; D65-R170 IonicContact OD1-NH1 3.03Å; D65-R170 PolarHBondContact OD1-NH1 3.48Å; D65-R170 IonicContact OD1-NH2 3.58Å; D65-R170 PolarHBondContact OD1-NH2 3.4Å; L66-R170 WeakPolarHBondContact O-CD 3.12Å; L66-R170 VanDerWaalsContact O-CG 3.26Å; L66-R170 WeakPolarHBondContact O-CG 3.29Å; L66-R170 PolarHBondContact O-NE 3.36Å; L66-R170 PolarHBondContact O-NH1 3.29Å; F139-R170 HydrophobicContact CB-CG 4.27Å; F139-R170 HydrophobicContact CD1-CG 4.45Å; F139-R170 HydrophobicContact CD2-CB 4.29Å; F139-R170 HydrophobicContact CD2-CG 3.63Å; F139-R170 HydrophobicContact CE2-CG 4.03Å; F139-R170 HydrophobicContact CG-CG 3.88Å; K140-R170 PolarHBondContact O-N 3.29Å; I141-R170 WeakPolarHBondContact CA-O 3.37Å; I142-R170 PolarHBondContact N-O 3.26Å
171F93.2Very high90.9Very high1 Ų157 Ų570%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-106.4140.5-179.4-71.7-101.2000110.2N68 L69 V118 I142 L158 T161 M162 T169N68-F171 CarbonylContact C-O 3.51Å; N68-F171 VanDerWaalsContact CA-O 3.28Å; N68-F171 WeakPolarHBondContact CA-O 3.3Å; N68-F171 HydrophobicContact CB-CB 4.46Å; N68-F171 PolarHBondContact OD1-N 2.93Å; L69-F171 PolarHBondContact N-O 2.97Å; V118-F171 HydrophobicContact CG1-CE1 3.67Å; V118-F171 HydrophobicContact CG1-CZ 4.02Å; I142-F171 HydrophobicContact CB-CD1 4.03Å; I142-F171 HydrophobicContact CB-CE1 4.09Å; I142-F171 HydrophobicContact CD1-CE1 3.87Å; I142-F171 HydrophobicContact CD1-CZ 3.94Å; I142-F171 HydrophobicContact CG1-CE1 4.49Å; I142-F171 HydrophobicContact CG2-CD1 4.25Å; I142-F171 HydrophobicContact CG2-CE1 4.21Å; I142-F171 CarbonylContact O-C 3.48Å; I142-F171 WeakPolarHBondContact O-CA 3.36Å; L158-F171 HydrophobicContact CD1-CD1 4.16Å; L158-F171 HydrophobicContact CD1-CE1 3.68Å; T161-F171 HydrophobicContact CG2-CZ 4.32Å; M162-F171 HydrophobicContact CB-CD2 4.19Å; M162-F171 HydrophobicContact CB-CE2 4.15Å; M162-F171 HydrophobicContact CE-CB 3.81Å; M162-F171 HydrophobicContact CE-CD2 4.33Å; M162-F171 HydrophobicContact CE-CG 4.09Å; M162-F171 HydrophobicContact CG-CB 4.42Å; M162-F171 HydrophobicContact CG-CD1 3.84Å; M162-F171 HydrophobicContact CG-CD2 3.56Å; M162-F171 HydrophobicContact CG-CE1 3.91Å; M162-F171 HydrophobicContact CG-CE2 3.64Å; M162-F171 HydrophobicContact CG-CG 3.66Å; M162-F171 HydrophobicContact CG-CZ 3.81Å; M162-F171 HydrophobicContact SD-CB 4.26Å; M162-F171 HydrophobicContact SD-CD1 4.26Å; M162-F171 HydrophobicContact SD-CD2 4.47Å; M162-F171 HydrophobicContact SD-CG 4.07Å; T169-F171 HydrophobicContact CG2-CD2 4.38Å; T169-F171 HydrophobicContact CG2-CE2 3.87Å; T169-F171 HydrophobicContact CG2-CZ 4.21Å
172C94.7Very high91.2Very high1 Ų158.2 Ų58.21%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-121.4109.5167.4-176.70000108.5L69 I83 I142 I143 L144L69-C172 HydrophobicContact CB-CB 4.26Å; L69-C172 WeakPolarHBondContact O-CA 3.13Å; I83-C172 HydrophobicContact CD1-CB 4.01Å; I83-C172 HydrophobicContact CG1-CB 3.88Å; I142-C172 PolarHBondContact O-N 3.48Å; I143-C172 WeakPolarHBondContact CA-O 3.48Å; I143-C172 HydrophobicContact CG1-CB 4.46Å; L144-C172 PolarHBondContact N-O 3.49Å
173L95.1Very high91.3Very high1 Ų165.7 Ų65.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-92.9129.7175.5-53.7-176.5000108.7L69 L70 F71 L144 A147 L158 L185L69-L173 PolarHBondContact O-N 3.06Å; L70-L173 CarbonylContact C-O 3.47Å; L70-L173 WeakPolarHBondContact CA-O 3.45Å; L70-L173 HydrophobicContact CD1-CB 3.66Å; F71-L173 PolarHBondContact N-O 3.31Å; L144-L173 HydrophobicContact CB-CD2 3.98Å; L144-L173 HydrophobicContact CD1-CD2 3.69Å; L144-L173 HydrophobicContact CG-CD2 4.19Å; A147-L173 HydrophobicContact CB-CB 4.4Å; L158-L173 HydrophobicContact CD2-CD2 4Å; L173-L185 HydrophobicContact CD1-CB 4.32Å; L173-L185 HydrophobicContact CD1-CD1 4.3Å
174I95.3Very high91.6Very high0 Ų063.9 Ų63.90%030%0.301CS..EExtended strand (participates in β ladder)trans-115.5129.6174.3-51.3176.1000108.2F71 K79 T80 I83 I143 L144 D145 E146 A147F71-I174 HydrophobicContact CB-CG1 4.34Å; F71-I174 WeakPolarHBondContact O-CA 3.22Å; K79-I174 HydrophobicContact CB-CG2 3.64Å; K79-I174 HydrophobicContact CD-CG2 3.88Å; K79-I174 HydrophobicContact CG-CG2 4.38Å; T80-I174 HydrophobicContact CG2-CD1 4.15Å; I83-I174 HydrophobicContact CG2-CD1 3.89Å; I143-I174 HydrophobicContact CG2-CD1 3.9Å; I143-I174 HydrophobicContact CG2-CG1 4.48Å; L144-I174 PolarHBondContact O-N 3.31Å; D145-I174 WeakPolarHBondContact OD1-CB 3.42Å; D145-I174 WeakPolarHBondContact OD1-CG2 3.21Å; E146-I174 PolarHBondContact N-O 3.5Å; A147-I174 WeakPolarHBondContact CB-O 3.5Å; A147-I174 PolarHBondContact N-O 3.37Å
175C94.6Very high91.8Very high1 Ų156.7 Ų56.71%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-144.6165.9174.661.20000111.4F71 Y72 G73 K79 D148 I181F71-C175 PolarHBondContact O-N 2.89Å; Y72-C175 VanDerWaalsContact CA-O 3.28Å; Y72-C175 WeakPolarHBondContact CA-O 3.35Å; G73-C175 PolarHBondContact N-O 3.14Å; K79-C175 WeakPolarHBondContact CE-O 3.23Å; D148-C175 HydrophobicContact CB-CB 3.8Å; C175-I181 HydrophobicContact CB-CD1 4.26Å; C175-I181 HydrophobicContact CB-CG1 4.35Å
176N94.2Very high92.1Very high56 Ų5656.1 Ų56.130%0.29927%0.268SS..SBendtrans-88.2-39.9168.5-63-42.7000110.5G73 K79 D148G73-N176 WeakPolarHBondContact O-CA 3.18Å; G73-N176 PolarHBondContact O-OD1 3.24Å; K79-N176 PolarHBondContact NZ-OD1 3.4Å; D148-N176 PolarHBondContact OD2-N 3.08Å
177Y93.1Very high92.5Very high152 Ų15257.4 Ų57.460%0.59628%0.277SS*.  trans-116.3114.3-176.8-57.2-77.8000112.2D148 S179 R180D148-Y177 PolarHBondContact OD2-N 3.46Å; Y177-S179 PolarHBondContact O-N 2.97Å; Y177-R180 PolarHBondContact O-N 3.45Å
178I93.7Very high92.8Very high55 Ų5550.5 Ų50.528%0.28225%0.251SS..G310 helixtrans-63.3-29.4175.8-168.6163.9000112.7L70 Y72 R180 I181 T186 K191L70-I178 HydrophobicContact CD2-CD1 4.01Å; L70-I178 HydrophobicContact CD2-CG1 4.18Å; Y72-I178 HydrophobicContact CD1-CD1 4.24Å; Y72-I178 HydrophobicContact CD2-CB 4.15Å; Y72-I178 HydrophobicContact CD2-CG2 4.38Å; Y72-I178 HydrophobicContact CE1-CD1 4.19Å; Y72-I178 HydrophobicContact CE2-CG2 4.46Å; Y72-I178 HydrophobicContact CG-CB 4.23Å; I178-R180 PolarHBondContact O-N 2.89Å; I178-I181 PolarHBondContact O-N 3.49Å; I178-I181 VanDerWaalsContact O-N 3.07Å; I178-T186 HydrophobicContact CG1-CG2 4.18Å; I178-K191 HydrophobicContact CD1-CD 3.81Å; I178-K191 HydrophobicContact CD1-CG 4.31Å
179S93.1Very high93.2Very high103 Ų10349.3 Ų49.372%0.7224%0.243SC*.G310 helixtrans-65.2-17.7178.8550000113.9Y177 I181Y177-S179 PolarHBondContact O-N 2.97Å; S179-I181 VanDerWaalsContact C-N 3.33Å
180R91.8Very high93.3Very high173 Ų17351.5 Ų51.565%0.65326%0.258SS*.G310 helixtrans-84.9-8.5175.8-63.3-68.4-178.1173.8-0.6112.9D148 Q155 Y177 I178D148-R180 HydrophobicContact CB-CB 3.61Å; D148-R180 HydrophobicContact CB-CG 4.15Å; Q155-R180 PolarHBondContact NE2-O 3.3Å; Y177-R180 PolarHBondContact O-N 3.45Å; I178-R180 PolarHBondContact O-N 2.89Å
181I93.7Very high93.3Very high11 Ų1155.7 Ų55.76%0.05628%0.277CS..SBendtrans-98132.3178.2-52-58.8000109.6A147 C175 I178 S179 L185 T186A147-I181 HydrophobicContact CB-CD1 3.96Å; A147-I181 WeakPolarHBondContact O-CD1 3.33Å; C175-I181 HydrophobicContact CB-CD1 4.26Å; C175-I181 HydrophobicContact CB-CG1 4.35Å; I178-I181 PolarHBondContact O-N 3.49Å; I178-I181 VanDerWaalsContact O-N 3.07Å; S179-I181 VanDerWaalsContact C-N 3.33Å; I181-L185 HydrophobicContact CG2-CB 3.83Å; I181-L185 HydrophobicContact CG2-CD1 4.17Å; I181-T186 HydrophobicContact CB-CG2 3.85Å; I181-T186 HydrophobicContact CG2-CG2 3.63Å
182I93.4Very high93.3Very high44 Ų4456.6 Ų56.623%0.22628%0.281CS..  trans-63.1140.617966174.1000111.3A152 Q155 A156 P184 L185 T186A152-I182 HydrophobicContact CB-CG2 4.45Å; Q155-I182 HydrophobicContact CB-CD1 3.8Å; Q155-I182 HydrophobicContact CB-CG1 3.99Å; Q155-I182 HydrophobicContact CB-CG2 4.38Å; A156-I182 HydrophobicContact CB-CD1 4.47Å; I182-P184 VanDerWaalsContact C-N 3.3Å; I182-P184 HydrophobicContact CD1-CB 4.44Å; I182-P184 HydrophobicContact CD1-CG 4.45Å; I182-L185 HydrophobicContact CD1-CD1 4.37Å; I182-L185 HydrophobicContact CD1-CG 4.1Å; I182-L185 HydrophobicContact CG1-CB 4.15Å; I182-L185 HydrophobicContact CG1-CD1 3.96Å; I182-L185 HydrophobicContact CG1-CG 3.73Å; I182-L185 PolarHBondContact O-N 3.23Å; I182-T186 PolarHBondContact O-N 3.45Å
183E93.7Very high93.1Very high157 Ų15764.3 Ų64.373%0.73431%0.31SS*.Hα-helixtrans-52.6-37179.7-173.3-179-171.300114.7L185 T186 S187E183-L185 PolarHBondContact O-N 2.94Å; E183-T186 WeakPolarHBondContact CA-OG1 3.48Å; E183-T186 PolarHBondContact O-N 2.97Å; E183-T186 PolarHBondContact O-OG1 2.92Å; E183-T186 VanDerWaalsContact O-OG1 3.1Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 3.4Å; E183-S187 PolarHBondContact O-OG 3.41Å
184P93.1Very high92.9Very high40 Ų4064.2 Ų64.226%0.2631%0.31SS..Hα-helixtrans-60.5-28.6175-28.137.7000114.8R159 I182 S187 R188R159-P184 HydrophobicContact CG-CB 4.32Å; I182-P184 VanDerWaalsContact C-N 3.3Å; I182-P184 HydrophobicContact CD1-CB 4.44Å; I182-P184 HydrophobicContact CD1-CG 4.45Å; P184-S187 WeakPolarHBondContact CA-OG 3.42Å; P184-S187 PolarHBondContact O-OG 2.8Å; P184-S187 VanDerWaalsContact O-OG 3.1Å; P184-R188 VanDerWaalsContact O-CD 3.28Å; P184-R188 WeakPolarHBondContact O-CD 3.38Å; P184-R188 PolarHBondContact O-NH1 3.02Å
185L92.6Very high92.7Very high2 Ų269.3 Ų69.31%0.0133%0.332CS..Hα-helixtrans-80.6-45.8174.9-70.7-177.9000111.1Q155 L158 R159 M162 L173 I181 I182 E183 S187 R188 C189Q155-L185 HydrophobicContact CB-CD1 3.73Å; Q155-L185 HydrophobicContact CG-CD1 4.18Å; L158-L185 HydrophobicContact CD2-CD1 4.28Å; R159-L185 HydrophobicContact CB-CD2 3.77Å; R159-L185 HydrophobicContact CG-CD2 4.4Å; M162-L185 HydrophobicContact CE-CD2 4.49Å; M162-L185 HydrophobicContact SD-CD2 3.5Å; M162-L185 VanDerWaalsContact SD-CD2 3.5Å; L173-L185 HydrophobicContact CD1-CB 4.32Å; L173-L185 HydrophobicContact CD1-CD1 4.3Å; I181-L185 HydrophobicContact CG2-CB 3.83Å; I181-L185 HydrophobicContact CG2-CD1 4.17Å; I182-L185 HydrophobicContact CD1-CD1 4.37Å; I182-L185 HydrophobicContact CD1-CG 4.1Å; I182-L185 HydrophobicContact CG1-CB 4.15Å; I182-L185 HydrophobicContact CG1-CD1 3.96Å; I182-L185 HydrophobicContact CG1-CG 3.73Å; I182-L185 PolarHBondContact O-N 3.23Å; E183-L185 PolarHBondContact O-N 2.94Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 3.36Å; L185-R188 PolarHBondContact O-N 2.99Å; L185-R188 VanDerWaalsContact O-N 3.09Å; L185-C189 PolarHBondContact O-N 3.26Å; L185-C189 PolarHBondContact O-SG 3.39Å
186T93.4Very high92.3Very high21 Ų2172.9 Ų72.913%0.12936%0.355CS..Hα-helixtrans-64.2-33.9-177.763.80000112.3L70 I178 I181 I182 E183 R188 C189L70-T186 HydrophobicContact CD2-CG2 3.77Å; I178-T186 HydrophobicContact CG1-CG2 4.18Å; I181-T186 HydrophobicContact CB-CG2 3.85Å; I181-T186 HydrophobicContact CG2-CG2 3.63Å; I182-T186 PolarHBondContact O-N 3.45Å; E183-T186 WeakPolarHBondContact CA-OG1 3.48Å; E183-T186 PolarHBondContact O-N 2.97Å; E183-T186 PolarHBondContact O-OG1 2.92Å; E183-T186 VanDerWaalsContact O-OG1 3.1Å; T186-R188 PolarHBondContact O-N 3.34Å; T186-C189 PolarHBondContact O-N 3.48Å
187S92.7Very high91.9Very high79 Ų7970.7 Ų70.755%0.55234%0.343SS*.THydrogen-bonded Turntrans-66.4-21175.151.50000114.4E183 P184 L185E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 3.4Å; E183-S187 PolarHBondContact O-OG 3.41Å; P184-S187 WeakPolarHBondContact CA-OG 3.42Å; P184-S187 PolarHBondContact O-OG 2.8Å; P184-S187 VanDerWaalsContact O-OG 3.1Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 3.36Å
188R90.8Very high91.7Very high88 Ų8865.6 Ų65.633%0.33233%0.333SS..THydrogen-bonded Turntrans-100.12.1-178.8-70.7166.2-179.154.410.3113.2N68 E163 P184 L185 T186N68-R188 WeakPolarHBondContact CB-O 3.23Å; N68-R188 PolarHBondContact ND2-O 3.13Å; E163-R188 IonicContact OE1-CZ 2.68Å; E163-R188 IonicContact OE1-NE 2.77Å; E163-R188 PolarHBondContact OE1-NE 3.33Å; E163-R188 IonicContact OE1-NH2 2.93Å; E163-R188 PolarHBondContact OE1-NH2 2.95Å; P184-R188 VanDerWaalsContact O-CD 3.28Å; P184-R188 WeakPolarHBondContact O-CD 3.38Å; P184-R188 PolarHBondContact O-NH1 3.02Å; L185-R188 PolarHBondContact O-N 2.99Å; L185-R188 VanDerWaalsContact O-N 3.09Å; T186-R188 PolarHBondContact O-N 3.34Å
189C93.1Very high91.4Very high11 Ų1166.1 Ų66.17%0.07434%0.341CS..SBendtrans-122.3140.4-177.4-56.60000111.4N68 L70 L185 T186 K191N68-C189 HydrophobicContact CB-CB 4.38Å; N68-C189 CarbonylContact O-C 3.48Å; N68-C189 VanDerWaalsContact O-CA 3.26Å; N68-C189 WeakPolarHBondContact O-CA 3.42Å; L70-C189 HydrophobicContact CB-CB 3.65Å; L185-C189 PolarHBondContact O-N 3.26Å; L185-C189 PolarHBondContact O-SG 3.39Å; T186-C189 PolarHBondContact O-N 3.48Å; C189-K191 PolarHBondContact O-N 2.95Å
190S92.3Very high91.2Very high46 Ų4668.1 Ų68.132%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-70122.2164-66.70000109.4P67 N68 L70 F192P67-S190 VanDerWaalsContact CG-OG 3.27Å; P67-S190 WeakPolarHBondContact CG-OG 3.46Å; N68-S190 PolarHBondContact O-N 3.45Å; L70-S190 PolarHBondContact N-O 2.95Å; S190-F192 WeakPolarHBondContact O-CD2 3.36Å
191K92.3Very high91Very high127 Ų12760.7 Ų60.755%0.55231%0.312SS*.EExtended strand (participates in β ladder)trans-89.1125.3-173.7-72.2174.1-73-177.20110.5L70 Y72 I178 C189L70-K191 HydrophobicContact CD2-CG 4.13Å; Y72-K191 HydrophobicContact CE1-CB 4.16Å; I178-K191 HydrophobicContact CD1-CD 3.81Å; I178-K191 HydrophobicContact CD1-CG 4.31Å; C189-K191 PolarHBondContact O-N 2.95Å
192F92Very high90.7Very high21 Ų2160.3 Ų60.39%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-120.9117.3174.1-63.8-88.9000109.7V53 V56 L57 L69 L70 F71 Y72 S190 F194V53-F192 HydrophobicContact CB-CD1 4.19Å; V53-F192 HydrophobicContact CG1-CB 4.07Å; V53-F192 HydrophobicContact CG1-CD1 3.69Å; V53-F192 HydrophobicContact CG1-CE1 4.46Å; V53-F192 HydrophobicContact CG1-CG 4.09Å; V53-F192 HydrophobicContact CG2-CB 4.28Å; V53-F192 HydrophobicContact CG2-CD1 4.13Å; V56-F192 HydrophobicContact CB-CE1 3.92Å; V56-F192 HydrophobicContact CG1-CE1 3.61Å; V56-F192 HydrophobicContact CG1-CZ 3.78Å; L57-F192 HydrophobicContact CD2-CZ 4.45Å; L69-F192 HydrophobicContact CD2-CD2 4.3Å; L69-F192 HydrophobicContact CD2-CE2 3.54Å; L69-F192 HydrophobicContact CD2-CZ 4.31Å; L70-F192 PolarHBondContact O-N 2.94Å; F71-F192 HydrophobicContact CD1-CB 3.71Å; F71-F192 AromaticContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CD2 3.87Å; F71-F192 HydrophobicContact CD1-CG 4.1Å; F71-F192 HydrophobicContact CE1-CB 3.97Å; F71-F192 AromaticContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CD2 3.57Å; F71-F192 HydrophobicContact CE1-CE2 4.31Å; F71-F192 AromaticContact CE1-CG 3.89Å; F71-F192 HydrophobicContact CE1-CG 3.89Å; Y72-F192 VanDerWaalsContact CD1-O 3.25Å; Y72-F192 WeakPolarHBondContact CD1-O 3.46Å; Y72-F192 PolarHBondContact N-O 2.94Å; S190-F192 WeakPolarHBondContact O-CD2 3.36Å; F192-F194 HydrophobicContact CB-CE2 4.12Å
193R91.8Very high90.6Very high162 Ų16261.7 Ų61.761%0.61132%0.316SS*.EExtended strand (participates in β ladder)trans-90.2116.6177.9-173.1177.3177.8174.2-0.8109.6Y72Y72-R193 HydrophobicContact CD2-CG 4.44Å; Y72-R193 HydrophobicContact CE1-CB 3.92Å; Y72-R193 HydrophobicContact CE2-CB 4.02Å; Y72-R193 HydrophobicContact CE2-CG 3.75Å; Y72-R193 WeakPolarHBondContact O-CA 3.43Å
194F91.2Very high90.5Very high0 Ų060 Ų600%031%0.308CS..  trans-88115.3170.7-73.3-105.1000108.8Q50 V53 F71 Y72 G73 P74 K79 T82 F192Q50-F194 HydrophobicContact CG-CD1 3.81Å; Q50-F194 HydrophobicContact CG-CE1 4.04Å; V53-F194 HydrophobicContact CG1-CE1 4.48Å; V53-F194 HydrophobicContact CG1-CE2 4.13Å; V53-F194 HydrophobicContact CG1-CZ 3.79Å; F71-F194 HydrophobicContact CB-CD2 4.1Å; F71-F194 HydrophobicContact CB-CE2 3.63Å; F71-F194 AromaticContact CD1-CE2 3.85Å; F71-F194 HydrophobicContact CD1-CE2 3.85Å; F71-F194 AromaticContact CD2-CE2 3.7Å; F71-F194 HydrophobicContact CD2-CE2 3.7Å; F71-F194 AromaticContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CD2-CZ 3.79Å; F71-F194 HydrophobicContact CE1-CE2 4.41Å; F71-F194 HydrophobicContact CE2-CE2 4.27Å; F71-F194 HydrophobicContact CE2-CZ 4.03Å; F71-F194 HydrophobicContact CG-CD2 4.4Å; F71-F194 AromaticContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CE2 3.46Å; F71-F194 VanDerWaalsContact CG-CE2 3.46Å; F71-F194 HydrophobicContact CG-CZ 4.05Å; Y72-F194 PolarHBondContact O-N 3.3Å; G73-F194 WeakPolarHBondContact CA-O 3.42Å; P74-F194 WeakPolarHBondContact CD-O 3.37Å; K79-F194 HydrophobicContact CD-CB 4.48Å; K79-F194 HydrophobicContact CD-CD2 4.46Å; K79-F194 HydrophobicContact CD-CG 4.49Å; K79-F194 HydrophobicContact CG-CB 3.98Å; K79-F194 HydrophobicContact CG-CD1 4.03Å; K79-F194 HydrophobicContact CG-CD2 3.87Å; K79-F194 HydrophobicContact CG-CE2 4.4Å; K79-F194 HydrophobicContact CG-CG 3.68Å; T82-F194 HydrophobicContact CG2-CE1 4.5Å; T82-F194 HydrophobicContact CG2-CZ 4.27Å; T82-F194 WeakPolarHBondContact OG1-CE1 3.48Å; F192-F194 HydrophobicContact CB-CE2 4.12Å
195K89.1Confident90.3Very high107 Ų10759.7 Ų59.747%0.46530%0.302SS..PPolyproline II helixtrans-81.8151.7175.7-63.4172.4-173.8163.40109.9Q50 T77Q50-K195 PolarHBondContact NE2-O 2.89Å; Q50-K195 VanDerWaalsContact NE2-O 3.09Å; T77-K195 WeakPolarHBondContact CG2-O 3.33Å
196P87.3Confident90.2Very high75 Ų7559.6 Ų59.649%0.48730%0.301SS..PPolyproline II helixtrans-47.9142.9162.7-23.130.1000110.9P74P74-P196 HydrophobicContact CG-CG 3.99Å
197L86.3Confident90.2Very high10 Ų1061.3 Ų61.35%0.05231%0.309CS..PPolyproline II helixtrans-72.8135178.1-66.1166.9000109.4A48 F49 Q202 L233A48-L197 WeakPolarHBondContact O-CD2 3.37Å; F49-L197 HydrophobicContact CB-CD2 4.23Å; L197-Q202 HydrophobicContact CB-CG 3.8Å; L197-Q202 PolarHBondContact O-NE2 3.42Å; L197-L233 HydrophobicContact CD1-CB 3.6Å; L197-L233 HydrophobicContact CD1-CD2 3.98Å; L197-L233 HydrophobicContact CD1-CG 4.36Å
198A87.8Confident90.1Very high45 Ų4561.4 Ų61.437%0.37230%0.301SS..PPolyproline II helixtrans-68.4149.8173.600000110.5Q200 I201 Q202A198-Q200 VanDerWaalsContact C-N 3.25Å; A198-Q200 PolarHBondContact O-N 3.13Å; A198-I201 HydrophobicContact CB-CD1 3.72Å; A198-I201 PolarHBondContact O-N 3.38Å; A198-I201 VanDerWaalsContact O-N 3.11Å; A198-Q202 PolarHBondContact O-N 3.12Å
199S88.6Confident90.2Very high67 Ų6757.2 Ų57.247%0.46929%0.285SS..Hα-helixtrans-54.1-40.6-172.3-55.80000113I201 Q202 E203S199-I201 PolarHBondContact O-N 2.56Å; S199-Q202 WeakPolarHBondContact O-CB 3.35Å; S199-Q202 PolarHBondContact O-N 3.24Å; S199-E203 WeakPolarHBondContact O-CG 3.38Å; S199-E203 PolarHBondContact O-N 2.93Å
200Q88.8Confident90.1Very high145 Ų14556.7 Ų56.768%0.67828%0.281SS*.Hα-helixtrans-58-43.7179.1-68.1172.8-18.900112.9A198 E203 E204A198-Q200 VanDerWaalsContact C-N 3.25Å; A198-Q200 PolarHBondContact O-N 3.13Å; Q200-E203 WeakPolarHBondContact O-CB 3.41Å; Q200-E203 PolarHBondContact O-N 2.85Å; Q200-E204 WeakPolarHBondContact O-CG 3.25Å; Q200-E204 PolarHBondContact O-N 2.76Å
201I86.4Confident90Very high17 Ų1759.6 Ų59.69%0.08729%0.294CS..Hα-helixtrans-70.9-36.4-180-60.8118.1000111.2A48 F49 A198 S199 E203 E204 R205A48-I201 HydrophobicContact CB-CG2 3.65Å; F49-I201 HydrophobicContact CB-CB 4.3Å; F49-I201 HydrophobicContact CB-CD1 3.67Å; F49-I201 HydrophobicContact CB-CG1 3.77Å; F49-I201 HydrophobicContact CB-CG2 3.85Å; F49-I201 HydrophobicContact CD1-CD1 3.32Å; F49-I201 HydrophobicContact CD1-CG1 4.32Å; F49-I201 HydrophobicContact CD2-CD1 3.3Å; F49-I201 HydrophobicContact CD2-CG1 3.58Å; F49-I201 HydrophobicContact CE1-CD1 3.61Å; F49-I201 HydrophobicContact CE2-CD1 3.6Å; F49-I201 HydrophobicContact CE2-CG1 4.16Å; F49-I201 HydrophobicContact CG-CD1 3.15Å; F49-I201 HydrophobicContact CG-CG1 3.67Å; F49-I201 HydrophobicContact CZ-CD1 3.73Å; A198-I201 HydrophobicContact CB-CD1 3.72Å; A198-I201 PolarHBondContact O-N 3.38Å; A198-I201 VanDerWaalsContact O-N 3.11Å; S199-I201 PolarHBondContact O-N 2.56Å; I201-E203 VanDerWaalsContact C-N 3.31Å; I201-E204 PolarHBondContact O-N 3.12Å; I201-R205 WeakPolarHBondContact O-CB 3.48Å; I201-R205 PolarHBondContact O-N 3.4Å
202Q88.8Confident90Very high3 Ų359.1 Ų59.11%0.01429%0.291CS..Hα-helixtrans-62.5-44.5174.4-65179.146.700110.2L197 A198 S199 R205 L206 V226L197-Q202 HydrophobicContact CB-CG 3.8Å; L197-Q202 PolarHBondContact O-NE2 3.42Å; A198-Q202 PolarHBondContact O-N 3.12Å; S199-Q202 WeakPolarHBondContact O-CB 3.35Å; S199-Q202 PolarHBondContact O-N 3.24Å; Q202-R205 PolarHBondContact O-N 3.48Å; Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 WeakPolarHBondContact O-CD1 3.45Å; Q202-L206 WeakPolarHBondContact O-CG 3.37Å; Q202-L206 PolarHBondContact O-N 2.84Å; Q202-V226 HydrophobicContact CB-CG1 4.25Å; Q202-V226 HydrophobicContact CB-CG2 4.11Å
203E91.1Very high89.9Confident73 Ų7360.4 Ų60.434%0.34130%0.298SS..Hα-helixtrans-57.3-53.5174.5-70.7175.3-166.600111.2S199 Q200 I201 R205 L206 L207 I222 V226S199-E203 WeakPolarHBondContact O-CG 3.38Å; S199-E203 PolarHBondContact O-N 2.93Å; Q200-E203 WeakPolarHBondContact O-CB 3.41Å; Q200-E203 PolarHBondContact O-N 2.85Å; I201-E203 VanDerWaalsContact C-N 3.31Å; E203-R205 VanDerWaalsContact C-N 3.32Å; E203-R205 PolarHBondContact O-N 3.01Å; E203-L206 PolarHBondContact O-N 3.4Å; E203-L206 VanDerWaalsContact O-N 3.16Å; E203-L207 WeakPolarHBondContact O-CB 3.38Å; E203-L207 WeakPolarHBondContact O-CG 3.36Å; E203-L207 PolarHBondContact O-N 3.02Å; E203-I222 HydrophobicContact CB-CG2 4.43Å; E203-I222 HydrophobicContact CG-CG2 4.14Å; E203-V226 HydrophobicContact CG-CB 4.5Å; E203-V226 HydrophobicContact CG-CG2 3.61Å
204E90.3Very high89.7Confident122 Ų12261.7 Ų61.757%0.5731%0.308SS*.Hα-helixtrans-53.1-48.7178.1-74.2173.2-176.100111.9Q200 I201 L206 L207 E208Q200-E204 WeakPolarHBondContact O-CG 3.25Å; Q200-E204 PolarHBondContact O-N 2.76Å; I201-E204 PolarHBondContact O-N 3.12Å; E204-L206 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 3.33Å; E204-E208 WeakPolarHBondContact O-CG 3.34Å; E204-E208 PolarHBondContact O-N 3.24Å
205R89.8Confident89.5Confident33 Ų3363.5 Ų63.513%0.12532%0.317CS..Hα-helixtrans-68.9-34.9-178.7-170.854.7171.8-167.2-8.6112.9Y39 I201 Q202 E203 E208 I209 L233Y39-R205 PolarHBondContact O-NH2 3.37Å; Y39-R205 VanDerWaalsContact O-NH2 3.12Å; I201-R205 WeakPolarHBondContact O-CB 3.48Å; I201-R205 PolarHBondContact O-N 3.4Å; Q202-R205 PolarHBondContact O-N 3.48Å; E203-R205 VanDerWaalsContact C-N 3.32Å; E203-R205 PolarHBondContact O-N 3.01Å; R205-E208 IonicContact CZ-OE2 2.75Å; R205-E208 IonicContact NE-OE2 3.04Å; R205-E208 IonicContact NH1-OE2 2.84Å; R205-E208 PolarHBondContact NH1-OE2 2.96Å; R205-I209 WeakPolarHBondContact O-CG1 3.13Å; R205-I209 PolarHBondContact O-N 2.93Å; R205-L233 HydrophobicContact CB-CD1 4.39Å; R205-L233 HydrophobicContact CG-CD1 4.33Å; R205-L233 HydrophobicContact CG-CD2 4.06Å
206L91.1Very high89.5Confident0 Ų065.7 Ų65.70%033%0.327CS..Hα-helixtrans-68.4-40.4175-71.3169000111.1Q202 E203 E204 I209 C210 I222 L225 V226 A236 I237 L240Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 WeakPolarHBondContact O-CD1 3.45Å; Q202-L206 WeakPolarHBondContact O-CG 3.37Å; Q202-L206 PolarHBondContact O-N 2.84Å; E203-L206 PolarHBondContact O-N 3.4Å; E203-L206 VanDerWaalsContact O-N 3.16Å; E204-L206 PolarHBondContact O-N 2.91Å; L206-I209 PolarHBondContact O-N 2.55Å; L206-I209 VanDerWaalsContact O-N 3.14Å; L206-C210 PolarHBondContact O-N 3.11Å; L206-C210 PolarHBondContact O-SG 2.98Å; L206-C210 VanDerWaalsContact O-SG 3.32Å; L206-I222 HydrophobicContact CD1-CG2 4.43Å; L206-L225 HydrophobicContact CD1-CB 4.4Å; L206-V226 HydrophobicContact CD1-CG2 3.81Å; L206-A236 HydrophobicContact CD1-CB 4.19Å; L206-A236 HydrophobicContact CD2-CB 4.02Å; L206-I237 HydrophobicContact CD2-CG1 4.23Å; L206-L240 HydrophobicContact CD2-CD2 3.97Å
207L92.2Very high89.5Confident57 Ų5765.4 Ų65.430%0.29832%0.316SS..Hα-helixtrans-61-44.8175.9-68.1169.1000111.2E203 E204 I209 C210 D211 Y217 I222E203-L207 WeakPolarHBondContact O-CB 3.38Å; E203-L207 WeakPolarHBondContact O-CG 3.36Å; E203-L207 PolarHBondContact O-N 3.02Å; E204-L207 PolarHBondContact O-N 3.33Å; L207-I209 PolarHBondContact O-N 3.38Å; L207-C210 WeakPolarHBondContact O-CB 3.31Å; L207-C210 PolarHBondContact O-N 3.46Å; L207-C210 VanDerWaalsContact O-N 3.15Å; L207-D211 PolarHBondContact O-N 3.43Å; L207-Y217 HydrophobicContact CD2-CE2 3.52Å; L207-Y217 WeakPolarHBondContact CD2-OH 3.47Å; L207-I222 HydrophobicContact CD2-CG1 4.45Å
208E91.5Very high89.6Confident80 Ų8067.4 Ų67.437%0.37433%0.329SS..Hα-helixtrans-57.2-37.8174.1-72.9-178.5-171.500113.1E204 R205 K212E204-E208 WeakPolarHBondContact O-CG 3.34Å; E204-E208 PolarHBondContact O-N 3.24Å; R205-E208 IonicContact CZ-OE2 2.75Å; R205-E208 IonicContact NE-OE2 3.04Å; R205-E208 IonicContact NH1-OE2 2.84Å; R205-E208 PolarHBondContact NH1-OE2 2.96Å; E208-K212 WeakPolarHBondContact O-CB 3.3Å; E208-K212 WeakPolarHBondContact O-CD 3.49Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.03Å; E208-K212 VanDerWaalsContact O-N 3.13Å; E208-K212 IonicContact OE2-NZ 3.68Å
209I91.6Very high89.7Confident0 Ų074 Ų740%035%0.35CS..Hα-helixtrans-71.7-42.9178.5-68.1168.7000109.9W35 Y39 R205 L206 L207 D211 K212 E213 I237 L240W35-I209 HydrophobicContact CE3-CG2 4.13Å; W35-I209 HydrophobicContact CZ3-CG2 4.47Å; Y39-I209 HydrophobicContact CD1-CG1 4.14Å; Y39-I209 HydrophobicContact CD2-CD1 4.17Å; Y39-I209 HydrophobicContact CD2-CG1 3.98Å; Y39-I209 HydrophobicContact CD2-CG2 4.07Å; Y39-I209 HydrophobicContact CE1-CG1 4.43Å; Y39-I209 HydrophobicContact CE2-CG1 4.28Å; Y39-I209 HydrophobicContact CE2-CG2 3.75Å; Y39-I209 HydrophobicContact CG-CD1 4.16Å; Y39-I209 HydrophobicContact CG-CG1 3.91Å; R205-I209 WeakPolarHBondContact O-CG1 3.13Å; R205-I209 PolarHBondContact O-N 2.93Å; L206-I209 PolarHBondContact O-N 2.55Å; L206-I209 VanDerWaalsContact O-N 3.14Å; L207-I209 PolarHBondContact O-N 3.38Å; I209-D211 VanDerWaalsContact C-N 3.29Å; I209-D211 PolarHBondContact O-N 3.43Å; I209-K212 PolarHBondContact O-N 3.41Å; I209-E213 HydrophobicContact CG2-CG 4.33Å; I209-E213 WeakPolarHBondContact O-CB 3.21Å; I209-E213 WeakPolarHBondContact O-CG 3.24Å; I209-E213 PolarHBondContact O-N 3.37Å; I209-I237 HydrophobicContact CD1-CD1 3.71Å; I209-I237 HydrophobicContact CD1-CG1 3.7Å; I209-I237 HydrophobicContact CD1-CG2 4.48Å; I209-L240 HydrophobicContact CB-CD2 4.47Å; I209-L240 HydrophobicContact CG2-CD2 4.03Å
210C91.2Very high89.7Confident0 Ų073.4 Ų73.40%035%0.348CS..Hα-helixtrans-57.8-42.2175-71.40000112L206 L207 K214 L215 Y217L206-C210 PolarHBondContact O-N 3.11Å; L206-C210 PolarHBondContact O-SG 2.98Å; L206-C210 VanDerWaalsContact O-SG 3.32Å; L207-C210 WeakPolarHBondContact O-CB 3.31Å; L207-C210 PolarHBondContact O-N 3.46Å; L207-C210 VanDerWaalsContact O-N 3.15Å; C210-K214 WeakPolarHBondContact O-CA 3.22Å; C210-K214 PolarHBondContact O-N 3.27Å; C210-L215 HydrophobicContact CB-CB 4.43Å; C210-L215 PolarHBondContact O-N 3.25Å; C210-Y217 HydrophobicContact CB-CD1 3.68Å; C210-Y217 HydrophobicContact CB-CE1 3.55Å
211D91.6Very high89.6Confident108 Ų10866.5 Ų66.558%0.57832%0.316SS*.Hα-helixtrans-67.7-42.2178.8-69.1-17.3000111.9L207 I209 K214L207-D211 PolarHBondContact O-N 3.43Å; I209-D211 VanDerWaalsContact C-N 3.29Å; I209-D211 PolarHBondContact O-N 3.43Å; D211-K214 PolarHBondContact O-N 3.17Å
212K91.7Very high89.9Confident116 Ų11666 Ų6650%0.50431%0.314SS..Hα-helixtrans-67.6-34.5178.5-72.6170-168160.80112.7Y39 E208 I209Y39-K212 HydrophobicContact CD1-CD 4.34Å; Y39-K212 HydrophobicContact CE1-CB 4.16Å; Y39-K212 HydrophobicContact CE1-CD 3.6Å; Y39-K212 WeakPolarHBondContact OH-CB 3.47Å; E208-K212 WeakPolarHBondContact O-CB 3.3Å; E208-K212 WeakPolarHBondContact O-CD 3.49Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.03Å; E208-K212 VanDerWaalsContact O-N 3.13Å; E208-K212 IonicContact OE2-NZ 3.68Å; I209-K212 PolarHBondContact O-N 3.41Å
213E90.1Very high90Very high49 Ų4967.9 Ų67.923%0.22933%0.329CS..Hα-helixtrans-91.2-3.2176.9-60.5-66.8166.800113.1W35 K38 Y39 I209 L215W35-E213 HydrophobicContact CD2-CG 4.41Å; W35-E213 HydrophobicContact CH2-CB 4.21Å; W35-E213 HydrophobicContact CH2-CG 3.97Å; W35-E213 HydrophobicContact CZ2-CB 4.07Å; W35-E213 HydrophobicContact CZ2-CG 3.57Å; W35-E213 HydrophobicContact CZ3-CG 4.49Å; W35-E213 PolarHBondContact NE1-OE1 3.08Å; K38-E213 IonicContact NZ-OE1 2.7Å; K38-E213 PolarHBondContact NZ-OE1 3.3Å; K38-E213 IonicContact NZ-OE2 3.3Å; Y39-E213 HydrophobicContact CE2-CG 4.26Å; Y39-E213 WeakPolarHBondContact CE2-OE1 3.41Å; Y39-E213 VanDerWaalsContact CZ-OE1 3.32Å; Y39-E213 WeakPolarHBondContact OH-CG 3.35Å; Y39-E213 PolarHBondContact OH-OE1 3.44Å; I209-E213 HydrophobicContact CG2-CG 4.33Å; I209-E213 WeakPolarHBondContact O-CB 3.21Å; I209-E213 WeakPolarHBondContact O-CG 3.24Å; I209-E213 PolarHBondContact O-N 3.37Å; E213-L215 HydrophobicContact CB-CD1 4.19Å; E213-L215 HydrophobicContact CB-CD2 4.32Å; E213-L215 HydrophobicContact CB-CG 3.88Å; E213-L215 PolarHBondContact O-N 2.93Å
214K88.4Confident89.9Confident188 Ų18865.1 Ų65.182%0.81732%0.319SS*.THydrogen-bonded Turntrans53.647.2-177.8-58.6-177.9179.7-179.20113.4C210 D211C210-K214 WeakPolarHBondContact O-CA 3.22Å; C210-K214 PolarHBondContact O-N 3.27Å; D211-K214 PolarHBondContact O-N 3.17Å
215L86.7Confident89.9Confident39 Ų3959.3 Ų59.320%0.20429%0.292CS..  trans-83.3144.3180-59.1173.7000111.6W35 C210 E213 L240 A244 I252W35-L215 HydrophobicContact CH2-CD1 3.65Å; W35-L215 HydrophobicContact CH2-CD2 4.25Å; W35-L215 HydrophobicContact CH2-CG 4.42Å; W35-L215 HydrophobicContact CZ3-CD1 3.88Å; C210-L215 HydrophobicContact CB-CB 4.43Å; C210-L215 PolarHBondContact O-N 3.25Å; E213-L215 HydrophobicContact CB-CD1 4.19Å; E213-L215 HydrophobicContact CB-CD2 4.32Å; E213-L215 HydrophobicContact CB-CG 3.88Å; E213-L215 PolarHBondContact O-N 2.93Å; L215-L240 HydrophobicContact CD1-CD1 4.39Å; L215-L240 HydrophobicContact CD1-CG 4.38Å; L215-A244 HydrophobicContact CD1-CB 4.09Å; L215-A244 HydrophobicContact CD2-CB 3.71Å; L215-I252 HydrophobicContact CB-CD1 4.49Å; L215-I252 HydrophobicContact CD1-CD1 4.24Å
216K88.1Confident90Very high153 Ų15358 Ų5867%0.66529%0.288SS*.  trans-89.7123.2166.1-64.7-180-177.4175.70108.6E251 I252K216-E251 HydrophobicContact CB-CB 4.26Å; K216-E251 HydrophobicContact CB-CG 4.2Å; K216-I252 PolarHBondContact O-N 3.29Å
217Y88.4Confident89.9Confident68 Ų6865.4 Ų65.427%0.26732%0.322SS..BIsolated β-bridgetrans-140.1151.9-178.263-89.7000111L207 C210 I222L207-Y217 HydrophobicContact CD2-CE2 3.52Å; L207-Y217 WeakPolarHBondContact CD2-OH 3.47Å; C210-Y217 HydrophobicContact CB-CD1 3.68Å; C210-Y217 HydrophobicContact CB-CE1 3.55Å; Y217-I222 HydrophobicContact CD2-CD1 4.05Å; Y217-I222 HydrophobicContact CD2-CG1 3.57Å; Y217-I222 HydrophobicContact CE2-CG1 4.04Å; Y217-I222 HydrophobicContact CG-CD1 4.27Å; Y217-I222 HydrophobicContact CG-CG1 4.27Å
218T88.5Confident89.6Confident52 Ų5264.1 Ų64.132%0.31932%0.316SS..  trans-94.1146.8171.2-49.40000109.6A220 S221 I222 E251 I252T218-A220 HydrophobicContact CG2-CB 4.23Å; T218-A220 PolarHBondContact O-N 2.71Å; T218-S221 VanDerWaalsContact O-CB 3.32Å; T218-S221 WeakPolarHBondContact O-CB 3.33Å; T218-S221 PolarHBondContact O-N 3.32Å; T218-S221 PolarHBondContact O-OG 3.23Å; T218-I222 PolarHBondContact O-N 3.44Å; T218-E251 PolarHBondContact N-OE1 3.41Å; T218-E251 PolarHBondContact OG1-OE1 2.89Å; T218-I252 PolarHBondContact N-O 3.25Å
219K88.1Confident89.4Confident185 Ų18560.4 Ų60.480%0.80430%0.298SS*.Hα-helixtrans-56.7-35.8176.6-68.3-174.3177.8-1760113.5S221 I222 A223K219-S221 PolarHBondContact O-N 3.47Å; K219-I222 PolarHBondContact O-N 3.08Å; K219-A223 PolarHBondContact O-N 2.82Å; K219-A223 VanDerWaalsContact O-N 3.15Å
220A88.5Confident89.1Confident53 Ų5368 Ų6844%0.43833%0.334SS..Hα-helixtrans-62.6-31.4175.300000112.7T218 A224T218-A220 HydrophobicContact CG2-CB 4.23Å; T218-A220 PolarHBondContact O-N 2.71Å; A220-A224 VanDerWaalsContact O-CB 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3.37Å
221S88.7Confident88.8Confident0 Ų068.4 Ų68.40%034%0.338CS..Hα-helixtrans-70-42.5-179.888.80000110.8T218 K219 A224 L225 I252 I257T218-S221 VanDerWaalsContact O-CB 3.32Å; T218-S221 WeakPolarHBondContact O-CB 3.33Å; T218-S221 PolarHBondContact O-N 3.32Å; T218-S221 PolarHBondContact O-OG 3.23Å; K219-S221 PolarHBondContact O-N 3.47Å; S221-A224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.47Å; S221-L225 PolarHBondContact O-N 2.7Å; S221-I252 VanDerWaalsContact CB-O 3.23Å; S221-I252 WeakPolarHBondContact CB-O 3.37Å; S221-I252 PolarHBondContact OG-O 3.27Å; S221-I257 VanDerWaalsContact CA-CD1 3.48Å; S221-I257 VanDerWaalsContact CB-CD1 3.4Å; S221-I257 WeakPolarHBondContact O-CD1 3.25Å
222I91Very high88.8Confident8 Ų864.5 Ų64.54%0.04132%0.317CS..Hα-helixtrans-66.2-43.8176.2-57.4-60.3000110.9E203 L206 L207 Y217 T218 K219 A224 L225 V226E203-I222 HydrophobicContact CB-CG2 4.43Å; E203-I222 HydrophobicContact CG-CG2 4.14Å; L206-I222 HydrophobicContact CD1-CG2 4.43Å; L207-I222 HydrophobicContact CD2-CG1 4.45Å; Y217-I222 HydrophobicContact CD2-CD1 4.05Å; Y217-I222 HydrophobicContact CD2-CG1 3.57Å; Y217-I222 HydrophobicContact CE2-CG1 4.04Å; Y217-I222 HydrophobicContact CG-CD1 4.27Å; Y217-I222 HydrophobicContact CG-CG1 4.27Å; T218-I222 PolarHBondContact O-N 3.44Å; K219-I222 PolarHBondContact O-N 3.08Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.34Å; I222-L225 HydrophobicContact CD1-CD1 4.34Å; I222-L225 WeakPolarHBondContact O-CB 3.28Å; I222-L225 PolarHBondContact O-N 3.05Å; I222-V226 HydrophobicContact CG2-CG2 4.48Å; I222-V226 VanDerWaalsContact O-CG2 3.23Å; I222-V226 WeakPolarHBondContact O-CG2 3.41Å; I222-V226 PolarHBondContact O-N 2.72Å
223A90.9Very high88.7Confident41 Ų4160.1 Ų60.134%0.33930%0.299SS..Hα-helixtrans-60.2-43.717600000111.9K219 V226 Q227K219-A223 PolarHBondContact O-N 2.82Å; K219-A223 VanDerWaalsContact O-N 3.15Å; A223-V226 PolarHBondContact O-N 2.93Å; A223-Q227 WeakPolarHBondContact O-CG 3.37Å; A223-Q227 PolarHBondContact O-N 2.84Å
224A88.9Confident88.8Confident15 Ų1563.7 Ų63.712%0.12431%0.31CS..Hα-helixtrans-62-43.2175.300000111.9A220 S221 I222 V226 Q227 L228A220-A224 VanDerWaalsContact O-CB 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3.37Å; S221-A224 PolarHBondContact O-N 3.48Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.34Å; A224-V226 VanDerWaalsContact C-N 3.32Å; A224-V226 PolarHBondContact O-N 3.4Å; A224-Q227 PolarHBondContact O-N 3.36Å; A224-L228 WeakPolarHBondContact O-CB 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.49Å; A224-L228 PolarHBondContact O-N 2.87Å
225L90.9Very high89Confident0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-57.6-44.9175.5-82.2165.8000111.9L206 S221 I222 L228 S229 F239 L240 I257L206-L225 HydrophobicContact CD1-CB 4.4Å; S221-L225 WeakPolarHBondContact O-CG 3.47Å; S221-L225 PolarHBondContact O-N 2.7Å; I222-L225 HydrophobicContact CD1-CD1 4.34Å; I222-L225 WeakPolarHBondContact O-CB 3.28Å; I222-L225 PolarHBondContact O-N 3.05Å; L225-L228 PolarHBondContact O-N 3.29Å; L225-S229 WeakPolarHBondContact O-CB 3.24Å; L225-S229 PolarHBondContact O-N 3.37Å; L225-S229 PolarHBondContact O-OG 2.85Å; L225-F239 HydrophobicContact CD2-CB 3.5Å; L225-F239 HydrophobicContact CD2-CD2 4.42Å; L225-L240 HydrophobicContact CD1-CB 4.17Å; L225-L240 HydrophobicContact CD1-CD1 3.72Å; L225-L240 HydrophobicContact CD1-CG 4.5Å; L225-I257 HydrophobicContact CD1-CD1 3.98Å; L225-I257 HydrophobicContact CD1-CG1 4.38Å; L225-I257 HydrophobicContact CD2-CB 4.49Å; L225-I257 HydrophobicContact CD2-CD1 4.39Å; L225-I257 HydrophobicContact CD2-CG1 4.11Å; L225-I257 HydrophobicContact CD2-CG2 3.55Å; L225-I257 HydrophobicContact CG-CD1 3.7Å; L225-I257 HydrophobicContact CG-CG1 3.97Å; L225-I257 HydrophobicContact CG-CG2 3.79Å
226V91.9Very high89.2Confident6 Ų656.4 Ų56.44%0.03628%0.277CS..Hα-helixtrans-67.7-43.1-177.5173.90000110.9Q202 E203 L206 I222 A223 A224 S229 E230Q202-V226 HydrophobicContact CB-CG1 4.25Å; Q202-V226 HydrophobicContact CB-CG2 4.11Å; E203-V226 HydrophobicContact CG-CB 4.5Å; E203-V226 HydrophobicContact CG-CG2 3.61Å; L206-V226 HydrophobicContact CD1-CG2 3.81Å; I222-V226 HydrophobicContact CG2-CG2 4.48Å; I222-V226 VanDerWaalsContact O-CG2 3.23Å; I222-V226 WeakPolarHBondContact O-CG2 3.41Å; I222-V226 PolarHBondContact O-N 2.72Å; A223-V226 PolarHBondContact O-N 2.93Å; A224-V226 VanDerWaalsContact C-N 3.32Å; A224-V226 PolarHBondContact O-N 3.4Å; V226-S229 PolarHBondContact O-N 2.73Å; V226-E230 PolarHBondContact O-N 2.81Å
227Q88.4Confident89.5Confident155 Ų15549.7 Ų49.772%0.72425%0.248SC*.Hα-helixtrans-59.4-48.3174.4-75-175-18.700111.5A223 A224 S229 E230A223-Q227 WeakPolarHBondContact O-CG 3.37Å; A223-Q227 PolarHBondContact O-N 2.84Å; A224-Q227 PolarHBondContact O-N 3.36Å; Q227-S229 PolarHBondContact O-N 3.42Å; Q227-E230 PolarHBondContact O-N 3.47Å
228L87.4Confident89.7Confident31 Ų3149.2 Ų49.216%0.16225%0.252CS..Hα-helixtrans-70.5-18.1-178.7-66.8175.2000114.1A224 L225 K235 I257 A261 V263A224-L228 WeakPolarHBondContact O-CB 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.49Å; A224-L228 PolarHBondContact O-N 2.87Å; L225-L228 PolarHBondContact O-N 3.29Å; L228-K235 WeakPolarHBondContact O-CE 3.32Å; L228-K235 PolarHBondContact O-NZ 3.45Å; L228-I257 HydrophobicContact CD1-CG2 3.75Å; L228-A261 HydrophobicContact CD1-CB 3.8Å; L228-V263 HydrophobicContact CD1-CG2 4.31Å; L228-V263 HydrophobicContact CD2-CB 4.27Å; L228-V263 HydrophobicContact CD2-CG1 3.99Å; L228-V263 HydrophobicContact CD2-CG2 3.46Å; L228-V263 VanDerWaalsContact CD2-CG2 3.46Å; L228-V263 HydrophobicContact CG-CG2 4.43Å
229S86.4Confident89.8Confident1 Ų148.2 Ų48.21%0.00724%0.244CC..Hα-helixtrans-86.6-17.2-179.2-62.20000113.1L225 V226 Q227 G231 D232 A236L225-S229 WeakPolarHBondContact O-CB 3.24Å; L225-S229 PolarHBondContact O-N 3.37Å; L225-S229 PolarHBondContact O-OG 2.85Å; V226-S229 PolarHBondContact O-N 2.73Å; Q227-S229 PolarHBondContact O-N 3.42Å; S229-G231 PolarHBondContact O-N 3.01Å; S229-D232 WeakPolarHBondContact CB-O 3.3Å; S229-D232 WeakPolarHBondContact O-CB 3.5Å; S229-D232 PolarHBondContact O-N 3.43Å; S229-A236 WeakPolarHBondContact OG-CA 3.42Å; S229-A236 WeakPolarHBondContact OG-CB 3.48Å; S229-A236 PolarHBondContact OG-N 3.01Å
230E85.4Confident90Very high160 Ų16039.4 Ų39.475%0.74821%0.205SC*.THydrogen-bonded Turntrans49.932.9173.3-62.5176-170.200114.8V226 Q227V226-E230 PolarHBondContact O-N 2.81Å; Q227-E230 PolarHBondContact O-N 3.47Å
231G84.6Confident90.2Very high8 Ų837.6 Ų37.68%0.08219%0.188CC..THydrogen-bonded Turntrans98.4-9-176.500000115.6S229S229-G231 PolarHBondContact O-N 3.01Å
232D90.8Very high90.3Very high27 Ų2739.7 Ų39.714%0.14420%0.203CC..  trans-93.999.1179.9-171.4-31.8000111.5G76 S229 R234 K235 A236G76-D232 WeakPolarHBondContact CA-OD1 3.44Å; S229-D232 WeakPolarHBondContact CB-O 3.3Å; S229-D232 WeakPolarHBondContact O-CB 3.5Å; S229-D232 PolarHBondContact O-N 3.43Å; D232-R234 VanDerWaalsContact C-N 3.28Å; D232-R234 PolarHBondContact O-N 3.41Å; D232-R234 WeakPolarHBondContact OD1-CA 3.37Å; D232-R234 VanDerWaalsContact OD1-CB 3.22Å; D232-R234 WeakPolarHBondContact OD1-CB 3.35Å; D232-R234 PolarHBondContact OD1-N 3.06Å; D232-K235 HydrophobicContact CB-CB 3.9Å; D232-K235 WeakPolarHBondContact O-CB 3.24Å; D232-K235 PolarHBondContact O-N 2.83Å; D232-K235 PolarHBondContact OD1-N 3.44Å; D232-A236 PolarHBondContact O-N 3.18Å; D232-A236 VanDerWaalsContact O-N 3.08Å
233L90.2Very high90.2Very high24 Ų2439.3 Ų39.313%0.12620%0.201CC..Hα-helixtrans-67.1-27.7178.3-177.565.2000113.1L197 R205 A236 I237L197-L233 HydrophobicContact CD1-CB 3.6Å; L197-L233 HydrophobicContact CD1-CD2 3.98Å; L197-L233 HydrophobicContact CD1-CG 4.36Å; R205-L233 HydrophobicContact CB-CD1 4.39Å; R205-L233 HydrophobicContact CG-CD1 4.33Å; R205-L233 HydrophobicContact CG-CD2 4.06Å; L233-A236 HydrophobicContact CD1-CB 4.49Å; L233-A236 PolarHBondContact O-N 3.5Å; L233-I237 HydrophobicContact CD1-CD1 4.14Å; L233-I237 HydrophobicContact CD1-CG1 4.18Å; L233-I237 HydrophobicContact CD2-CD1 4.38Å; L233-I237 HydrophobicContact CG-CD1 3.83Å; L233-I237 HydrophobicContact CG-CG1 4.3Å; L233-I237 WeakPolarHBondContact O-CB 3.2Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 2.91Å
234R92.2Very high90.1Very high124 Ų12438 Ų3847%0.46819%0.19SC..Hα-helixtrans-65.9-44.3176.3177.5-168.7-64168.1-3.1109.7V36 D232 T238V36-R234 HydrophobicContact CG1-CG 3.85Å; V36-R234 HydrophobicContact CG2-CG 4.14Å; D232-R234 VanDerWaalsContact C-N 3.28Å; D232-R234 PolarHBondContact O-N 3.41Å; D232-R234 WeakPolarHBondContact OD1-CA 3.37Å; D232-R234 VanDerWaalsContact OD1-CB 3.22Å; D232-R234 WeakPolarHBondContact OD1-CB 3.35Å; D232-R234 PolarHBondContact OD1-N 3.06Å; R234-T238 WeakPolarHBondContact O-CB 3.47Å; R234-T238 PolarHBondContact O-N 2.63Å; R234-T238 PolarHBondContact O-OG1 3.34Å
235K92.1Very high90Very high74 Ų7444.6 Ų44.632%0.32221%0.212SC..Hα-helixtrans-59.6-49174.3-172.7177.8178.4-162.30110.4L228 D232 I237 T238 F239L228-K235 WeakPolarHBondContact O-CE 3.32Å; L228-K235 PolarHBondContact O-NZ 3.45Å; D232-K235 HydrophobicContact CB-CB 3.9Å; D232-K235 WeakPolarHBondContact O-CB 3.24Å; D232-K235 PolarHBondContact O-N 2.83Å; D232-K235 PolarHBondContact OD1-N 3.44Å; K235-I237 PolarHBondContact O-N 3.14Å; K235-T238 PolarHBondContact O-N 3.44Å; K235-T238 VanDerWaalsContact O-N 3.17Å; K235-F239 HydrophobicContact CD-CE2 4.1Å; K235-F239 HydrophobicContact CD-CZ 4.22Å; K235-F239 VanDerWaalsContact CE-CE2 3.45Å; K235-F239 VanDerWaalsContact CE-CZ 3.47Å; K235-F239 HydrophobicContact CG-CD2 4.12Å; K235-F239 HydrophobicContact CG-CE1 4.31Å; K235-F239 HydrophobicContact CG-CE2 3.63Å; K235-F239 HydrophobicContact CG-CZ 3.73Å; K235-F239 WeakPolarHBondContact O-CG 3.38Å; K235-F239 PolarHBondContact O-N 2.8Å
236A92.4Very high89.7Confident0 Ų050.6 Ų50.60%024%0.243CC..Hα-helixtrans-55.3-50.8178.100000113.2L206 S229 D232 L233 T238 F239 L240L206-A236 HydrophobicContact CD1-CB 4.19Å; L206-A236 HydrophobicContact CD2-CB 4.02Å; S229-A236 WeakPolarHBondContact OG-CA 3.42Å; S229-A236 WeakPolarHBondContact OG-CB 3.48Å; S229-A236 PolarHBondContact OG-N 3.01Å; D232-A236 PolarHBondContact O-N 3.18Å; D232-A236 VanDerWaalsContact O-N 3.08Å; L233-A236 HydrophobicContact CD1-CB 4.49Å; L233-A236 PolarHBondContact O-N 3.5Å; A236-T238 VanDerWaalsContact C-N 3.31Å; A236-T238 PolarHBondContact O-N 3.07Å; A236-F239 PolarHBondContact O-N 3.44Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 PolarHBondContact O-N 3.1Å
237I92.9Very high89.1Confident12 Ų1252.3 Ų52.36%0.06225%0.252CS..Hα-helixtrans-65.1-37.4-179.9-67.4170.4000111.1W35 V36 L206 I209 L233 K235 L240 Q241W35-I237 HydrophobicContact CB-CG2 3.67Å; V36-I237 HydrophobicContact CG2-CB 4.3Å; V36-I237 HydrophobicContact CG2-CG2 3.96Å; L206-I237 HydrophobicContact CD2-CG1 4.23Å; I209-I237 HydrophobicContact CD1-CD1 3.71Å; I209-I237 HydrophobicContact CD1-CG1 3.7Å; I209-I237 HydrophobicContact CD1-CG2 4.48Å; L233-I237 HydrophobicContact CD1-CD1 4.14Å; L233-I237 HydrophobicContact CD1-CG1 4.18Å; L233-I237 HydrophobicContact CD2-CD1 4.38Å; L233-I237 HydrophobicContact CG-CD1 3.83Å; L233-I237 HydrophobicContact CG-CG1 4.3Å; L233-I237 WeakPolarHBondContact O-CB 3.2Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 2.91Å; K235-I237 PolarHBondContact O-N 3.14Å; I237-L240 PolarHBondContact O-N 3.04Å; I237-Q241 WeakPolarHBondContact O-CB 3.47Å; I237-Q241 PolarHBondContact O-N 3.49Å
238T93.3Very high88Confident58 Ų5848.6 Ų48.636%0.35625%0.248SC..Hα-helixtrans-66-44.9178.6-570000110.8V36 R234 K235 A236 Q241 S242V36-T238 WeakPolarHBondContact CG2-OG1 3.19Å; R234-T238 WeakPolarHBondContact O-CB 3.47Å; R234-T238 PolarHBondContact O-N 2.63Å; R234-T238 PolarHBondContact O-OG1 3.34Å; K235-T238 PolarHBondContact O-N 3.44Å; K235-T238 VanDerWaalsContact O-N 3.17Å; A236-T238 VanDerWaalsContact C-N 3.31Å; A236-T238 PolarHBondContact O-N 3.07Å; T238-Q241 PolarHBondContact O-N 3.39Å; T238-S242 PolarHBondContact O-N 3.47Å; T238-S242 PolarHBondContact O-OG 3.36Å
239F91.8Very high87Confident30 Ų3054.8 Ų54.813%0.13228%0.281CS..Hα-helixtrans-63.7-44175.4-69.3-15000112.1L225 K235 A236 Q241 S242 A243 I260 A261L225-F239 HydrophobicContact CD2-CB 3.5Å; L225-F239 HydrophobicContact CD2-CD2 4.42Å; K235-F239 HydrophobicContact CD-CE2 4.1Å; K235-F239 HydrophobicContact CD-CZ 4.22Å; K235-F239 VanDerWaalsContact CE-CE2 3.45Å; K235-F239 VanDerWaalsContact CE-CZ 3.47Å; K235-F239 HydrophobicContact CG-CD2 4.12Å; K235-F239 HydrophobicContact CG-CE1 4.31Å; K235-F239 HydrophobicContact CG-CE2 3.63Å; K235-F239 HydrophobicContact CG-CZ 3.73Å; K235-F239 WeakPolarHBondContact O-CG 3.38Å; K235-F239 PolarHBondContact O-N 2.8Å; A236-F239 PolarHBondContact O-N 3.44Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.08Å; F239-S242 PolarHBondContact O-N 2.92Å; F239-A243 WeakPolarHBondContact O-CB 3.43Å; F239-A243 PolarHBondContact O-N 3.31Å; F239-I260 HydrophobicContact CB-CG2 4.48Å; F239-I260 HydrophobicContact CD1-CG2 3.99Å; F239-I260 HydrophobicContact CG-CG2 4.45Å; F239-A261 HydrophobicContact CD2-CB 4.28Å; F239-A261 HydrophobicContact CE2-CB 3.73Å; F239-A261 HydrophobicContact CZ-CB 3.97Å
240L91.4Very high86.5Confident0 Ų062.3 Ų62.30%031%0.314CS..Hα-helixtrans-59.5-42.7175.5-175.668000111.4W35 L206 I209 L215 L225 A236 I237 A243 A244 I252W35-L240 HydrophobicContact CZ3-CD2 4.34Å; W35-L240 HydrophobicContact CZ3-CG 4.06Å; L206-L240 HydrophobicContact CD2-CD2 3.97Å; I209-L240 HydrophobicContact CB-CD2 4.47Å; I209-L240 HydrophobicContact CG2-CD2 4.03Å; L215-L240 HydrophobicContact CD1-CD1 4.39Å; L215-L240 HydrophobicContact CD1-CG 4.38Å; L225-L240 HydrophobicContact CD1-CB 4.17Å; L225-L240 HydrophobicContact CD1-CD1 3.72Å; L225-L240 HydrophobicContact CD1-CG 4.5Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 PolarHBondContact O-N 3.1Å; I237-L240 PolarHBondContact O-N 3.04Å; L240-A243 PolarHBondContact O-N 2.85Å; L240-A244 WeakPolarHBondContact O-CB 3.34Å; L240-A244 PolarHBondContact O-N 3.38Å; L240-I252 HydrophobicContact CD1-CD1 4Å
241Q91.9Very high86.4Confident15 Ų1559.2 Ų59.27%0.0730%0.299CS..Hα-helixtrans-63.7-43.8176.7-176166.735.500112.4W35 I237 T238 F239 A243 R245W35-Q241 HydrophobicContact CB-CB 4.34Å; W35-Q241 HydrophobicContact CB-CG 4.47Å; W35-Q241 HydrophobicContact CD2-CB 3.74Å; W35-Q241 HydrophobicContact CD2-CG 3.72Å; W35-Q241 VanDerWaalsContact CE3-CA 3.46Å; W35-Q241 HydrophobicContact CE3-CB 3.44Å; W35-Q241 VanDerWaalsContact CE3-CB 3.44Å; W35-Q241 HydrophobicContact CE3-CG 3.92Å; W35-Q241 HydrophobicContact CG-CB 4.16Å; W35-Q241 HydrophobicContact CG-CG 3.99Å; W35-Q241 VanDerWaalsContact CZ3-CA 3.41Å; W35-Q241 HydrophobicContact CZ3-CB 3.96Å; W35-Q241 HydrophobicContact CZ3-CG 4.41Å; I237-Q241 WeakPolarHBondContact O-CB 3.47Å; I237-Q241 PolarHBondContact O-N 3.49Å; T238-Q241 PolarHBondContact O-N 3.39Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.08Å; Q241-A243 VanDerWaalsContact C-N 3.35Å; Q241-R245 VanDerWaalsContact O-CG 3.3Å; Q241-R245 WeakPolarHBondContact O-CG 3.38Å; Q241-R245 PolarHBondContact O-N 3.33Å; Q241-R245 VanDerWaalsContact O-N 3.12Å
242S91.1Very high86.4Confident45 Ų4559 Ų5932%0.31530%0.296SS..Hα-helixtrans-63.8-42176.5-65.70000111.2T238 F239 R245 L246T238-S242 PolarHBondContact O-N 3.47Å; T238-S242 PolarHBondContact O-OG 3.36Å; F239-S242 PolarHBondContact O-N 2.92Å; S242-R245 PolarHBondContact O-N 3.14Å; S242-L246 WeakPolarHBondContact O-CG 3.38Å; S242-L246 PolarHBondContact O-N 2.67Å
243A89Confident86.2Confident0 Ų060.4 Ų60.40%031%0.306CS..Hα-helixtrans-64.5-43.4179.200000112F239 L240 Q241 R245 L246 N247 I252 I260F239-A243 WeakPolarHBondContact O-CB 3.43Å; F239-A243 PolarHBondContact O-N 3.31Å; L240-A243 PolarHBondContact O-N 2.85Å; Q241-A243 VanDerWaalsContact C-N 3.35Å; A243-R245 VanDerWaalsContact C-N 3.3Å; A243-R245 PolarHBondContact O-N 2.95Å; A243-L246 PolarHBondContact O-N 3.24Å; A243-N247 WeakPolarHBondContact O-CB 3.27Å; A243-N247 PolarHBondContact O-N 2.82Å; A243-I252 HydrophobicContact CB-CD1 4.48Å; A243-I252 HydrophobicContact CB-CG2 4Å; A243-I260 HydrophobicContact CB-CD1 3.49Å; A243-I260 VanDerWaalsContact CB-CD1 3.49Å
244A88.3Confident86Confident14 Ų1462.6 Ų62.612%0.11632%0.318CS..Hα-helixtrans-63.1-3617600000112.6W35 L215 L240 N247 A248 I252W35-A244 HydrophobicContact CH2-CB 3.49Å; W35-A244 VanDerWaalsContact CH2-CB 3.49Å; W35-A244 HydrophobicContact CZ2-CB 4.42Å; W35-A244 HydrophobicContact CZ3-CB 4.08Å; L215-A244 HydrophobicContact CD1-CB 4.09Å; L215-A244 HydrophobicContact CD2-CB 3.71Å; L240-A244 WeakPolarHBondContact O-CB 3.34Å; L240-A244 PolarHBondContact O-N 3.38Å; A244-N247 CarbonylContact O-C 3.56Å; A244-A248 WeakPolarHBondContact O-CA 3.39Å; A244-A248 PolarHBondContact O-N 3.38Å; A244-I252 HydrophobicContact CB-CD1 4.31Å
245R87.3Confident85.6Confident153 Ų15362.8 Ų62.858%0.57732%0.324SS*.Hα-helixtrans-73.3-37.4178.7-73.8176.1-177.3-161.25.6112.8Q241 S242 A243Q241-R245 VanDerWaalsContact O-CG 3.3Å; Q241-R245 WeakPolarHBondContact O-CG 3.38Å; Q241-R245 PolarHBondContact O-N 3.33Å; Q241-R245 VanDerWaalsContact O-N 3.12Å; S242-R245 PolarHBondContact O-N 3.14Å; A243-R245 VanDerWaalsContact C-N 3.3Å; A243-R245 PolarHBondContact O-N 2.95Å
246L84.9Confident85.3Confident126 Ų12659.7 Ų59.766%0.6631%0.312SS*.Hα-helixtrans-71.8-35.8177.8-71.1171.3000111.7S242 A243 I260S242-L246 WeakPolarHBondContact O-CG 3.38Å; S242-L246 PolarHBondContact O-N 2.67Å; A243-L246 PolarHBondContact O-N 3.24Å; L246-I260 HydrophobicContact CD1-CD1 3.75Å; L246-I260 HydrophobicContact CD1-CG1 3.68Å
247N79.5Confident85Confident41 Ų4159.8 Ų59.822%0.21931%0.313CS..THydrogen-bonded Turntrans-10643.1-177.9-66.4-47.6000112.6A243 A244 D249 K250 A256A243-N247 WeakPolarHBondContact O-CB 3.27Å; A243-N247 PolarHBondContact O-N 2.82Å; A244-N247 CarbonylContact O-C 3.56Å; N247-D249 PolarHBondContact O-N 3.29Å; N247-K250 HydrophobicContact CB-CB 4.3Å; N247-K250 PolarHBondContact O-N 3.4Å; N247-K250 VanDerWaalsContact O-O 3.07Å; N247-A256 VanDerWaalsContact ND2-CB 3.33Å; N247-A256 WeakPolarHBondContact ND2-CB 3.26Å
248A65.9Low84.7Confident78 Ų7861.6 Ų61.665%0.64532%0.322SS*.THydrogen-bonded Turntrans-48-28.5-169.900000115.7A244A244-A248 WeakPolarHBondContact O-CA 3.39Å; A244-A248 PolarHBondContact O-N 3.38Å
249D65.8Low84.3Confident160 Ų16066 Ų6686%0.85634%0.339SS*.THydrogen-bonded Turntrans-118.30.5179.3-61.1-47.2000114.6N247N247-D249 PolarHBondContact O-N 3.29Å
250K75.1Confident84Confident160 Ų16066.5 Ų66.570%0.69634%0.342SS*.SBendtrans-117.9156.8-173.3-68.7-176-177.5176.90112N247N247-K250 HydrophobicContact CB-CB 4.3Å; N247-K250 PolarHBondContact O-N 3.4Å; N247-K250 VanDerWaalsContact O-O 3.07Å
251E84.1Confident83.7Confident94 Ų9467.6 Ų67.644%0.43935%0.351SS..  trans-63.7138173.1-170.6174.6174.600110.6K216 T218 T253K216-E251 HydrophobicContact CB-CB 4.26Å; K216-E251 HydrophobicContact CB-CG 4.2Å; T218-E251 PolarHBondContact N-OE1 3.41Å; T218-E251 PolarHBondContact OG1-OE1 2.89Å; E251-T253 PolarHBondContact O-N 3.15Å
252I84.7Confident83.3Confident3 Ų368.7 Ų68.72%0.01537%0.367CS..BIsolated β-bridgetrans-73.2108.4176.4-59.2173.5000108.5L215 K216 T218 S221 L240 A243 A244 I257L215-I252 HydrophobicContact CB-CD1 4.49Å; L215-I252 HydrophobicContact CD1-CD1 4.24Å; K216-I252 PolarHBondContact O-N 3.29Å; T218-I252 PolarHBondContact N-O 3.25Å; S221-I252 VanDerWaalsContact CB-O 3.23Å; S221-I252 WeakPolarHBondContact CB-O 3.37Å; S221-I252 PolarHBondContact OG-O 3.27Å; L240-I252 HydrophobicContact CD1-CD1 4Å; A243-I252 HydrophobicContact CB-CD1 4.48Å; A243-I252 HydrophobicContact CB-CG2 4Å; A244-I252 HydrophobicContact CB-CD1 4.31Å; I252-I257 HydrophobicContact CG2-CD1 3.99Å; I252-I257 HydrophobicContact CG2-CG1 4.08Å
253T86.6Confident83Confident57 Ų5767.6 Ų67.635%0.3536%0.358SS..  trans-87.5162.4174.959.20000111.7E251 Q255 A256E251-T253 PolarHBondContact O-N 3.15Å; T253-Q255 VanDerWaalsContact C-N 3.35Å; T253-A256 PolarHBondContact O-N 3.47Å
254D85.7Confident82.9Confident70 Ų7067.8 Ų67.837%0.37436%0.359SS..Hα-helixtrans-59.5-41.7172.361.4-38.6000112.4A256 I257 I258D254-A256 PolarHBondContact O-N 2.93Å; D254-I257 WeakPolarHBondContact O-CB 3.42Å; D254-I257 PolarHBondContact O-N 2.91Å; D254-I257 VanDerWaalsContact O-N 3.14Å; D254-I258 WeakPolarHBondContact O-CG1 3.33Å; D254-I258 PolarHBondContact O-N 3.42Å
255Q84.2Confident82.8Confident128 Ų12869.6 Ų69.660%0.59837%0.37SS*.Hα-helixtrans-59.9-43.6178.8-68.2179.5-6.300112.5T253 I257 I258 E259T253-Q255 VanDerWaalsContact C-N 3.35Å; Q255-I257 PolarHBondContact O-N 3.08Å; Q255-I258 PolarHBondContact O-N 3.05Å; Q255-E259 WeakPolarHBondContact O-CG 3.34Å; Q255-E259 PolarHBondContact O-N 2.87Å
256A85.6Confident82.7Confident10 Ų1066.2 Ų66.28%0.08337%0.369CS..Hα-helixtrans-61-35.2178.400000111.8N247 T253 D254 I260N247-A256 VanDerWaalsContact ND2-CB 3.33Å; N247-A256 WeakPolarHBondContact ND2-CB 3.26Å; T253-A256 PolarHBondContact O-N 3.47Å; D254-A256 PolarHBondContact O-N 2.93Å; A256-I260 WeakPolarHBondContact O-CB 3.46Å; A256-I260 WeakPolarHBondContact O-CD1 3.4Å; A256-I260 WeakPolarHBondContact O-CG1 3.39Å; A256-I260 PolarHBondContact O-N 3Å; A256-I260 VanDerWaalsContact O-N 3.12Å
257I86.4Confident82.9Confident1 Ų168.5 Ų68.51%0.00537%0.374CS..Hα-helixtrans-71.4-42.9177.9-66.3154.3000111S221 L225 L228 I252 D254 Q255 E259 I260 A261S221-I257 VanDerWaalsContact CA-CD1 3.48Å; S221-I257 VanDerWaalsContact CB-CD1 3.4Å; S221-I257 WeakPolarHBondContact O-CD1 3.25Å; L225-I257 HydrophobicContact CD1-CD1 3.98Å; L225-I257 HydrophobicContact CD1-CG1 4.38Å; L225-I257 HydrophobicContact CD2-CB 4.49Å; L225-I257 HydrophobicContact CD2-CD1 4.39Å; L225-I257 HydrophobicContact CD2-CG1 4.11Å; L225-I257 HydrophobicContact CD2-CG2 3.55Å; L225-I257 HydrophobicContact CG-CD1 3.7Å; L225-I257 HydrophobicContact CG-CG1 3.97Å; L225-I257 HydrophobicContact CG-CG2 3.79Å; L228-I257 HydrophobicContact CD1-CG2 3.75Å; I252-I257 HydrophobicContact CG2-CD1 3.99Å; I252-I257 HydrophobicContact CG2-CG1 4.08Å; D254-I257 WeakPolarHBondContact O-CB 3.42Å; D254-I257 PolarHBondContact O-N 2.91Å; D254-I257 VanDerWaalsContact O-N 3.14Å; Q255-I257 PolarHBondContact O-N 3.08Å; I257-E259 VanDerWaalsContact C-N 3.31Å; I257-E259 PolarHBondContact O-N 3.32Å; I257-I260 PolarHBondContact O-N 2.82Å; I257-A261 VanDerWaalsContact O-CB 3.28Å; I257-A261 WeakPolarHBondContact O-CB 3.13Å; I257-A261 PolarHBondContact O-N 3.3Å
258I85.4Confident83.3Confident50 Ų5068.5 Ų68.526%0.25637%0.373SS..Hα-helixtrans-60-44.5178.2-67.6167.2000110.2D254 Q255 A261 G262 V263D254-I258 WeakPolarHBondContact O-CG1 3.33Å; D254-I258 PolarHBondContact O-N 3.42Å; Q255-I258 PolarHBondContact O-N 3.05Å; I258-A261 PolarHBondContact O-N 3.49Å; I258-G262 PolarHBondContact O-N 3.5Å; I258-V263 HydrophobicContact CG2-CB 4.12Å; I258-V263 HydrophobicContact CG2-CG1 4.25Å; I258-V263 WeakPolarHBondContact CG2-O 3.48Å; I258-V263 PolarHBondContact O-N 3.43Å
259E84.8Confident84.4Confident151 Ų15164.9 Ų64.971%0.70634%0.343SS*.Hα-helixtrans-60.7-45.2176.2-72.7176.5-176.700112Q255 I257 G262Q255-E259 WeakPolarHBondContact O-CG 3.34Å; Q255-E259 PolarHBondContact O-N 2.87Å; I257-E259 VanDerWaalsContact C-N 3.31Å; I257-E259 PolarHBondContact O-N 3.32Å; E259-G262 PolarHBondContact O-N 3.32Å
260I87Confident85.5Confident41 Ų4160.7 Ų60.721%0.2132%0.321CS..Hα-helixtrans-68.2-37179.5-69.1162.2000112F239 A243 L246 A256 I257 G262F239-I260 HydrophobicContact CB-CG2 4.48Å; F239-I260 HydrophobicContact CD1-CG2 3.99Å; F239-I260 HydrophobicContact CG-CG2 4.45Å; A243-I260 HydrophobicContact CB-CD1 3.49Å; A243-I260 VanDerWaalsContact CB-CD1 3.49Å; L246-I260 HydrophobicContact CD1-CD1 3.75Å; L246-I260 HydrophobicContact CD1-CG1 3.68Å; A256-I260 WeakPolarHBondContact O-CB 3.46Å; A256-I260 WeakPolarHBondContact O-CD1 3.4Å; A256-I260 WeakPolarHBondContact O-CG1 3.39Å; A256-I260 PolarHBondContact O-N 3Å; A256-I260 VanDerWaalsContact O-N 3.12Å; I257-I260 PolarHBondContact O-N 2.82Å; I260-G262 PolarHBondContact O-N 3.27Å
261A85Confident86.2Confident23 Ų2359.5 Ų59.519%0.1932%0.315CS..Hα-helixtrans-71.7-12.5178.600000112.4L228 F239 I257 I258 V263L228-A261 HydrophobicContact CD1-CB 3.8Å; F239-A261 HydrophobicContact CD2-CB 4.28Å; F239-A261 HydrophobicContact CE2-CB 3.73Å; F239-A261 HydrophobicContact CZ-CB 3.97Å; I257-A261 VanDerWaalsContact O-CB 3.28Å; I257-A261 WeakPolarHBondContact O-CB 3.13Å; I257-A261 PolarHBondContact O-N 3.3Å; I258-A261 PolarHBondContact O-N 3.49Å; A261-V263 HydrophobicContact CB-CB 4.35Å; A261-V263 HydrophobicContact CB-CG2 3.51Å; A261-V263 PolarHBondContact O-N 3.46Å
262G83.3Confident86.4Confident38 Ų3855.2 Ų55.239%0.39230%0.296SS..THydrogen-bonded Turntrans67.523.5-175.800000112.7I258 E259 I260I258-G262 PolarHBondContact O-N 3.5Å; E259-G262 PolarHBondContact O-N 3.32Å; I260-G262 PolarHBondContact O-N 3.27Å
263V85.3Confident86.6Confident22 Ų2255.1 Ų55.113%0.13330%0.295CS..PPolyproline II helixtrans-83.8129.9-176.31690000107.5L228 I258 A261L228-V263 HydrophobicContact CD1-CG2 4.31Å; L228-V263 HydrophobicContact CD2-CB 4.27Å; L228-V263 HydrophobicContact CD2-CG1 3.99Å; L228-V263 HydrophobicContact CD2-CG2 3.46Å; L228-V263 VanDerWaalsContact CD2-CG2 3.46Å; L228-V263 HydrophobicContact CG-CG2 4.43Å; I258-V263 HydrophobicContact CG2-CB 4.12Å; I258-V263 HydrophobicContact CG2-CG1 4.25Å; I258-V263 WeakPolarHBondContact CG2-O 3.48Å; I258-V263 PolarHBondContact O-N 3.43Å; A261-V263 HydrophobicContact CB-CB 4.35Å; A261-V263 HydrophobicContact CB-CG2 3.51Å; A261-V263 PolarHBondContact O-N 3.46Å
264I86.4Confident86.7Confident3 Ų358.7 Ų58.72%0.01531%0.307CS..PPolyproline II helixtrans-70.9135.5180-54.8133.4000108.5S266 M268 I269 M291 Y296 Q300 I301 Q304I264-S266 PolarHBondContact O-N 2.76Å; I264-M268 HydrophobicContact CG2-CB 3.93Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.71Å; I264-I269 HydrophobicContact CB-CD1 4.31Å; I264-I269 HydrophobicContact CB-CG1 4.42Å; I264-I269 HydrophobicContact CD1-CD1 4.25Å; I264-I269 HydrophobicContact CG2-CD1 4.01Å; I264-I269 HydrophobicContact CG2-CG1 4.11Å; I264-M291 HydrophobicContact CG2-CE 4.05Å; I264-Y296 HydrophobicContact CB-CD1 4.32Å; I264-Y296 HydrophobicContact CB-CE1 4.41Å; I264-Y296 HydrophobicContact CD1-CG 4.48Å; I264-Y296 HydrophobicContact CG1-CD1 3.42Å; I264-Y296 VanDerWaalsContact CG1-CD1 3.42Å; I264-Y296 HydrophobicContact CG1-CD2 4.12Å; I264-Y296 HydrophobicContact CG1-CE1 3.99Å; I264-Y296 HydrophobicContact CG1-CG 3.5Å; I264-Y296 HydrophobicContact CG2-CE2 4.47Å; I264-Q300 HydrophobicContact CD1-CB 4.15Å; I264-Q300 HydrophobicContact CD1-CG 3.93Å; I264-I301 HydrophobicContact CD1-CB 3.94Å; I264-I301 HydrophobicContact CD1-CG1 3.36Å; I264-I301 HydrophobicContact CG1-CG1 4.41Å; I264-Q304 PolarHBondContact O-NE2 3.06Å; I264-Q304 PolarHBondContact O-OE1 2.76Å
265P86.7Confident86.8Confident53 Ų5356.7 Ų56.734%0.34430%0.297SS..PPolyproline II helixtrans-58.9134.2175.2-25.434.5000111.9K267 M268 I269P265-K267 PolarHBondContact O-N 2.8Å; P265-K267 VanDerWaalsContact O-N 3.12Å; P265-M268 WeakPolarHBondContact O-CB 3.29Å; P265-M268 PolarHBondContact O-N 3.47Å; P265-I269 PolarHBondContact O-N 2.83Å
266S85Confident87Confident81 Ų8150.7 Ų50.757%0.56627%0.269SS*.Hα-helixtrans-52.2-39.4-178.953.80000113.3I264 M268 I269 D270I264-S266 PolarHBondContact O-N 2.76Å; S266-M268 PolarHBondContact O-N 3.38Å; S266-M268 VanDerWaalsContact O-N 3.12Å; S266-I269 PolarHBondContact O-N 2.85Å; S266-I269 VanDerWaalsContact O-N 3.09Å; S266-D270 PolarHBondContact O-N 2.96Å
267K88.4Confident86.9Confident174 Ų17453.2 Ų53.276%0.75728%0.278SS*.Hα-helixtrans-54.6-32.9176.2-64.2-178.7-178.51760113.5P265 K271P265-K267 PolarHBondContact O-N 2.8Å; P265-K267 VanDerWaalsContact O-N 3.12Å; K267-K271 VanDerWaalsContact O-CB 3.31Å; K267-K271 WeakPolarHBondContact O-CB 3.22Å; K267-K271 PolarHBondContact O-N 2.94Å; K267-K271 VanDerWaalsContact O-N 3.1Å
268M87.8Confident86.8Confident42 Ų4264.4 Ų64.421%0.20732%0.32CS..Hα-helixtrans-77.3-41.3179.8-168.7-179.4-71.900111.3I264 P265 S266 K271 L272 M291 E294 Y296I264-M268 HydrophobicContact CG2-CB 3.93Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.71Å; P265-M268 WeakPolarHBondContact O-CB 3.29Å; P265-M268 PolarHBondContact O-N 3.47Å; S266-M268 PolarHBondContact O-N 3.38Å; S266-M268 VanDerWaalsContact O-N 3.12Å; M268-K271 PolarHBondContact O-N 3.43Å; M268-L272 PolarHBondContact O-N 3.43Å; M268-M291 HydrophobicContact CG-CE 4.25Å; M268-M291 HydrophobicContact CG-CG 4.29Å; M268-M291 HydrophobicContact CG-SD 4.41Å; M268-M291 HydrophobicContact SD-CE 4.08Å; M268-M291 HydrophobicContact SD-CG 3.86Å; M268-E294 WeakPolarHBondContact CE-OE2 3.43Å; M268-Y296 HydrophobicContact CE-CE2 3.96Å; M268-Y296 HydrophobicContact SD-CD2 4.25Å; M268-Y296 HydrophobicContact SD-CE2 3.82Å
269I89.6Confident86.8Confident1 Ų163 Ų631%0.00532%0.318CS..Hα-helixtrans-63.7-44.1173.6-60.9-61.9000110.6I264 P265 S266 K271 L272 L273 M291 I301 Q304 L305 C308I264-I269 HydrophobicContact CB-CD1 4.31Å; I264-I269 HydrophobicContact CB-CG1 4.42Å; I264-I269 HydrophobicContact CD1-CD1 4.25Å; I264-I269 HydrophobicContact CG2-CD1 4.01Å; I264-I269 HydrophobicContact CG2-CG1 4.11Å; P265-I269 PolarHBondContact O-N 2.83Å; S266-I269 PolarHBondContact O-N 2.85Å; S266-I269 VanDerWaalsContact O-N 3.09Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 3.09Å; I269-L272 WeakPolarHBondContact O-CB 3.24Å; I269-L272 PolarHBondContact O-N 3.31Å; I269-L273 HydrophobicContact CG2-CD1 4.08Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CG 3.43Å; I269-L273 PolarHBondContact O-N 3.22Å; I269-M291 HydrophobicContact CD1-CE 4.01Å; I269-I301 HydrophobicContact CD1-CG2 4.18Å; I269-Q304 HydrophobicContact CD1-CB 4.33Å; I269-Q304 HydrophobicContact CG1-CB 4.31Å; I269-L305 HydrophobicContact CG2-CD2 3.97Å; I269-C308 HydrophobicContact CG2-CB 4.41Å
270D88.8Confident87Confident73 Ų7358.9 Ų58.939%0.3930%0.303SS..Hα-helixtrans-59.8-43.4175.8-72.1-32.8000111.5S266 L273 Q274S266-D270 PolarHBondContact O-N 2.96Å; D270-L273 PolarHBondContact O-N 3.29Å; D270-Q274 WeakPolarHBondContact O-CB 3.16Å; D270-Q274 VanDerWaalsContact O-CG 3.25Å; D270-Q274 WeakPolarHBondContact O-CG 3.46Å; D270-Q274 PolarHBondContact O-N 3.34Å
271K89.5Confident87.2Confident135 Ų13561.9 Ų61.959%0.58732%0.315SS*.Hα-helixtrans-63.1-43.1175.5-174.6179.3179.5-176.50111.5K267 M268 I269 Q274 I275K267-K271 VanDerWaalsContact O-CB 3.31Å; K267-K271 WeakPolarHBondContact O-CB 3.22Å; K267-K271 PolarHBondContact O-N 2.94Å; K267-K271 VanDerWaalsContact O-N 3.1Å; M268-K271 PolarHBondContact O-N 3.43Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 3.09Å; K271-Q274 PolarHBondContact O-N 3.09Å; K271-I275 HydrophobicContact CG-CD1 4.18Å; K271-I275 VanDerWaalsContact O-CG1 3.25Å; K271-I275 WeakPolarHBondContact O-CG1 3.47Å; K271-I275 PolarHBondContact O-N 3.25Å
272L89.3Confident87.4Confident4 Ų467.8 Ų67.82%0.02134%0.339CS..Hα-helixtrans-60.8-49.3176-178.667.7000110.5M268 I269 Q274 I275 C276 L284 A287 V288 M291 I301 L305M268-L272 PolarHBondContact O-N 3.43Å; I269-L272 WeakPolarHBondContact O-CB 3.24Å; I269-L272 PolarHBondContact O-N 3.31Å; L272-Q274 PolarHBondContact O-N 3.07Å; L272-I275 WeakPolarHBondContact O-CB 3.03Å; L272-I275 PolarHBondContact O-N 2.93Å; L272-I275 VanDerWaalsContact O-N 3.14Å; L272-C276 PolarHBondContact O-N 3.03Å; L272-C276 PolarHBondContact O-SG 2.96Å; L272-L284 HydrophobicContact CD1-CD1 4.02Å; L272-A287 HydrophobicContact CD1-CB 4.08Å; L272-V288 HydrophobicContact CD1-CG2 4.21Å; L272-M291 HydrophobicContact CB-SD 4.37Å; L272-M291 HydrophobicContact CD1-SD 4.3Å; L272-M291 HydrophobicContact CD2-CE 4.42Å; L272-M291 HydrophobicContact CD2-SD 3.79Å; L272-M291 HydrophobicContact CG-SD 4.37Å; L272-I301 HydrophobicContact CD2-CG2 4.32Å; L272-L305 HydrophobicContact CD2-CD1 4.09Å; L272-L305 HydrophobicContact CD2-CD2 4.21Å
273L88Confident87.8Confident0 Ų072.1 Ų72.10%035%0.347CS..Hα-helixtrans-61-44.3177.6-72.6172.8000111.6I269 D270 I275 C276 F277 L305 C308 I309I269-L273 HydrophobicContact CG2-CD1 4.08Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CG 3.43Å; I269-L273 PolarHBondContact O-N 3.22Å; D270-L273 PolarHBondContact O-N 3.29Å; L273-I275 PolarHBondContact O-N 3.1Å; L273-C276 WeakPolarHBondContact O-CB 3.33Å; L273-C276 PolarHBondContact O-N 3.34Å; L273-F277 HydrophobicContact CD2-CE2 4.34Å; L273-F277 WeakPolarHBondContact O-CD2 3.19Å; L273-F277 PolarHBondContact O-N 3.2Å; L273-L305 HydrophobicContact CD1-CD2 4.31Å; L273-L305 HydrophobicContact CD2-CD2 3.55Å; L273-L305 HydrophobicContact CG-CD2 3.77Å; L273-C308 HydrophobicContact CD1-CB 3.7Å; L273-I309 HydrophobicContact CD2-CD1 4.41Å; L273-I309 HydrophobicContact CD2-CG1 4.2Å
274Q88.3Confident88Confident132 Ų13271 Ų7162%0.61734%0.34SS*.Hα-helixtrans-57.3-39.4175.5-77.5178.6400112.1D270 K271 L272 F277 R278D270-Q274 WeakPolarHBondContact O-CB 3.16Å; D270-Q274 VanDerWaalsContact O-CG 3.25Å; D270-Q274 WeakPolarHBondContact O-CG 3.46Å; D270-Q274 PolarHBondContact O-N 3.34Å; K271-Q274 PolarHBondContact O-N 3.09Å; L272-Q274 PolarHBondContact O-N 3.07Å; Q274-F277 PolarHBondContact O-N 2.91Å; Q274-R278 PolarHBondContact O-N 3.28Å
275I88.4Confident88.3Confident29 Ų2973.7 Ų73.715%0.14935%0.353CS..Hα-helixtrans-67.7-40.2174.7-66.4165.5000110.7K271 L272 L273 F277 G279 K283 L284 A287K271-I275 HydrophobicContact CG-CD1 4.18Å; K271-I275 VanDerWaalsContact O-CG1 3.25Å; K271-I275 WeakPolarHBondContact O-CG1 3.47Å; K271-I275 PolarHBondContact O-N 3.25Å; L272-I275 WeakPolarHBondContact O-CB 3.03Å; L272-I275 PolarHBondContact O-N 2.93Å; L272-I275 VanDerWaalsContact O-N 3.14Å; L273-I275 PolarHBondContact O-N 3.1Å; I275-F277 VanDerWaalsContact C-N 3.34Å; I275-F277 PolarHBondContact O-N 2.93Å; I275-G279 WeakPolarHBondContact O-CA 3.49Å; I275-G279 PolarHBondContact O-N 3.06Å; I275-K283 HydrophobicContact CG2-CB 4.02Å; I275-L284 HydrophobicContact CG2-CB 4.1Å; I275-L284 HydrophobicContact CG2-CD1 4.47Å; I275-A287 HydrophobicContact CD1-CB 3.81Å
276C87.2Confident88.5Confident2 Ų274.9 Ų74.91%0.01436%0.358CS..Hα-helixtrans-62-39.6175.3-630000112.3L272 L273 I350 M351L272-C276 PolarHBondContact O-N 3.03Å; L272-C276 PolarHBondContact O-SG 2.96Å; L273-C276 WeakPolarHBondContact O-CB 3.33Å; L273-C276 PolarHBondContact O-N 3.34Å; C276-I350 HydrophobicContact CB-CB 4.4Å; C276-I350 HydrophobicContact CB-CG2 3.77Å; C276-M351 VanDerWaalsContact O-CA 3.29Å; C276-M351 WeakPolarHBondContact O-CA 3.28Å; C276-M351 WeakPolarHBondContact O-CB 3.38Å; C276-M351 WeakPolarHBondContact O-CG 3.46Å
277F84.7Confident88.8Confident63 Ų6371.8 Ų71.828%0.27634%0.338SS..Hα-helixtrans-82.5-32.3-177.3-76.8-77.6000114.5L273 Q274 I275 K312 I314 A354L273-F277 HydrophobicContact CD2-CE2 4.34Å; L273-F277 WeakPolarHBondContact O-CD2 3.19Å; L273-F277 PolarHBondContact O-N 3.2Å; Q274-F277 PolarHBondContact O-N 2.91Å; I275-F277 VanDerWaalsContact C-N 3.34Å; I275-F277 PolarHBondContact O-N 2.93Å; F277-K312 HydrophobicContact CE2-CD 4.34Å; F277-I314 HydrophobicContact CE1-CD1 4.15Å; F277-I314 HydrophobicContact CE1-CG1 4.47Å; F277-I314 HydrophobicContact CE2-CD1 4.46Å; F277-I314 HydrophobicContact CZ-CD1 3.53Å; F277-I314 HydrophobicContact CZ-CG1 4.28Å; F277-A354 HydrophobicContact CB-CB 4.43Å; F277-A354 HydrophobicContact CD1-CB 3.3Å; F277-A354 HydrophobicContact CE1-CB 3.69Å; F277-A354 HydrophobicContact CG-CB 4.11Å
278R84.8Confident88.9Confident235 Ų23563.7 Ų63.789%0.88730%0.303SS*.Hα-helixtrans-129.1-2.1-170.6-61.6-176.9179.4179-0.2114.6Q274Q274-R278 PolarHBondContact O-N 3.28Å
279G83.9Confident89.1Confident20 Ų2066.6 Ų66.621%0.20631%0.312CS..  trans-92.1-174.1-171.100000114.4I275 M351I275-G279 WeakPolarHBondContact O-CA 3.49Å; I275-G279 PolarHBondContact O-N 3.06Å; G279-M351 WeakPolarHBondContact O-CE 3.36Å
280T90.6Very high89.1Confident66 Ų6670.3 Ų70.341%0.40533%0.332SS..  trans-107.7158.4169.856.20000109.6E282 K283 L284T280-E282 VanDerWaalsContact C-N 3.26Å; T280-E282 PolarHBondContact O-N 2.92Å; T280-K283 PolarHBondContact O-N 2.88Å; T280-K283 VanDerWaalsContact O-N 3.09Å; T280-L284 PolarHBondContact O-N 3.22Å; T280-L284 VanDerWaalsContact O-N 3.11Å
281F89.3Confident89.1Confident103 Ų10367.1 Ų67.145%0.45232%0.315SS..Hα-helixtrans-57-38.2179-176.8-95.8000112.9K283 L284 E285 L344 S348F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.05Å; F281-L284 HydrophobicContact CD2-CD2 4.47Å; F281-L284 WeakPolarHBondContact O-CB 3.42Å; F281-L284 PolarHBondContact O-N 2.97Å; F281-L284 VanDerWaalsContact O-N 3.13Å; F281-E285 PolarHBondContact O-N 3.03Å; F281-L344 HydrophobicContact CE2-CD1 4.17Å; F281-L344 HydrophobicContact CZ-CD1 4.14Å; F281-L344 HydrophobicContact CZ-CD2 4.21Å; F281-L344 HydrophobicContact CZ-CG 4.35Å; F281-S348 WeakPolarHBondContact CE2-OG 3.01Å
282E90.7Very high89Confident147 Ų14762.7 Ų62.769%0.68730%0.299SS*.Hα-helixtrans-60.3-42.2176.4-63.6167.4177.100112.3T280 L284 E285 V286T280-E282 VanDerWaalsContact C-N 3.26Å; T280-E282 PolarHBondContact O-N 2.92Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.39Å; E282-E285 PolarHBondContact O-N 3.35Å; E282-V286 WeakPolarHBondContact O-CG2 3.04Å; E282-V286 PolarHBondContact O-N 2.93Å
283K90.7Very high89Confident129 Ų12968.3 Ų68.356%0.56133%0.329SS*.Hα-helixtrans-67.3-34.9176.8-71.2179.1-178.4176.30111.3I275 T280 F281 A287I275-K283 HydrophobicContact CG2-CB 4.02Å; T280-K283 PolarHBondContact O-N 2.88Å; T280-K283 VanDerWaalsContact O-N 3.09Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.05Å; K283-A287 WeakPolarHBondContact O-CB 3.49Å; K283-A287 PolarHBondContact O-N 2.84Å
284L90.2Very high89Confident0 Ų073.6 Ų73.60%035%0.354CS..Hα-helixtrans-65.4-46.8175.8176.667.4000111.2L272 I275 T280 F281 E282 V286 A287 V288 L344 C347L272-L284 HydrophobicContact CD1-CD1 4.02Å; I275-L284 HydrophobicContact CG2-CB 4.1Å; I275-L284 HydrophobicContact CG2-CD1 4.47Å; T280-L284 PolarHBondContact O-N 3.22Å; T280-L284 VanDerWaalsContact O-N 3.11Å; F281-L284 HydrophobicContact CD2-CD2 4.47Å; F281-L284 WeakPolarHBondContact O-CB 3.42Å; F281-L284 PolarHBondContact O-N 2.97Å; F281-L284 VanDerWaalsContact O-N 3.13Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.39Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 3.41Å; L284-A287 PolarHBondContact O-N 2.93Å; L284-A287 VanDerWaalsContact O-N 3.14Å; L284-V288 HydrophobicContact CD1-CG2 4.07Å; L284-V288 HydrophobicContact CG-CG2 4.4Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 3.48Å; L284-L344 HydrophobicContact CD2-CD1 4.34Å; L284-L344 HydrophobicContact CG-CD1 4.36Å; L284-C347 HydrophobicContact CD1-CB 3.38Å; L284-C347 HydrophobicContact CD2-CB 3.64Å; L284-C347 HydrophobicContact CG-CB 3.96Å
285E91.6Very high89Confident59 Ų5970.3 Ų70.328%0.27636%0.355SS..Hα-helixtrans-57.2-46178.4-167.9-171.7158.700111.6F281 E282 R289 Y340F281-E285 PolarHBondContact O-N 3.03Å; E282-E285 PolarHBondContact O-N 3.35Å; E285-R289 VanDerWaalsContact O-CB 3.24Å; E285-R289 WeakPolarHBondContact O-CB 3.31Å; E285-R289 PolarHBondContact O-N 3.14Å; E285-R289 IonicContact OE1-CZ 3.97Å; E285-R289 IonicContact OE1-NH1 2.76Å; E285-R289 IonicContact OE1-NH2 3.6Å; E285-R289 PolarHBondContact OE1-NH2 2.75Å; E285-Y340 WeakPolarHBondContact CG-OH 3.28Å; E285-Y340 PolarHBondContact OE1-OH 2.68Å
286V92.3Very high89Confident77 Ų7771.3 Ų71.347%0.46736%0.357SS..Hα-helixtrans-64-41.8176.6174.70000111.4E282 L284 R289 N290E282-V286 WeakPolarHBondContact O-CG2 3.04Å; E282-V286 PolarHBondContact O-N 2.93Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 3.41Å; V286-R289 PolarHBondContact O-N 2.77Å; V286-N290 WeakPolarHBondContact O-CB 3.18Å; V286-N290 PolarHBondContact O-N 2.84Å; V286-N290 PolarHBondContact O-ND2 2.89Å; V286-N290 PolarHBondContact O-OD1 2.91Å
287A90.3Very high89.1Confident17 Ų1773.3 Ų73.314%0.1437%0.374CS..Hα-helixtrans-63.9-48.2179.100000112L272 I275 K283 L284 N290 M291L272-A287 HydrophobicContact CD1-CB 4.08Å; I275-A287 HydrophobicContact CD1-CB 3.81Å; K283-A287 WeakPolarHBondContact O-CB 3.49Å; K283-A287 PolarHBondContact O-N 2.84Å; L284-A287 PolarHBondContact O-N 2.93Å; L284-A287 VanDerWaalsContact O-N 3.14Å; A287-N290 PolarHBondContact O-N 3.24Å; A287-M291 WeakPolarHBondContact O-CG 3.25Å; A287-M291 PolarHBondContact O-N 2.86Å; A287-M291 VanDerWaalsContact O-N 3.11Å
288V91.1Very high89.4Confident4 Ų470.4 Ų70.42%0.02436%0.361CS..Hα-helixtrans-63.1-43.9177.9175.20000110.6L272 L284 N290 M291 V292 Y340 M343L272-V288 HydrophobicContact CD1-CG2 4.21Å; L284-V288 HydrophobicContact CD1-CG2 4.07Å; L284-V288 HydrophobicContact CG-CG2 4.4Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 3.48Å; V288-N290 VanDerWaalsContact C-N 3.32Å; V288-N290 PolarHBondContact O-N 2.91Å; V288-M291 PolarHBondContact O-N 3.23Å; V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 3.1Å; V288-Y340 HydrophobicContact CG1-CD2 3.96Å; V288-Y340 HydrophobicContact CG1-CE2 4.24Å; V288-M343 HydrophobicContact CG1-CB 3.86Å
289R91.6Very high89.6Confident103 Ų10363.1 Ų63.139%0.38934%0.343SS..Hα-helixtrans-58.9-43.2176.5-175.6175.1-63.8152.39.2112E285 V286 V292 N293 Y340E285-R289 VanDerWaalsContact O-CB 3.24Å; E285-R289 WeakPolarHBondContact O-CB 3.31Å; E285-R289 PolarHBondContact O-N 3.14Å; E285-R289 IonicContact OE1-CZ 3.97Å; E285-R289 IonicContact OE1-NH1 2.76Å; E285-R289 IonicContact OE1-NH2 3.6Å; E285-R289 PolarHBondContact OE1-NH2 2.75Å; V286-R289 PolarHBondContact O-N 2.77Å; R289-V292 PolarHBondContact O-N 2.96Å; R289-N293 WeakPolarHBondContact O-CB 3.46Å; R289-N293 PolarHBondContact O-N 2.55Å; R289-N293 PolarHBondContact O-ND2 2.73Å; R289-N293 PolarHBondContact O-OD1 3.22Å; R289-Y340 HydrophobicContact CB-CE2 4.05Å; R289-Y340 PolarHBondContact NH2-OH 2.62Å
290N90.9Very high89.9Confident78 Ų7865.1 Ų65.142%0.41735%0.347SS..Hα-helixtrans-63.5-41.6178.3-70.7-16000111.7V286 A287 V288 V292 N293 E294V286-N290 WeakPolarHBondContact O-CB 3.18Å; V286-N290 PolarHBondContact O-N 2.84Å; V286-N290 PolarHBondContact O-ND2 2.89Å; V286-N290 PolarHBondContact O-OD1 2.91Å; A287-N290 PolarHBondContact O-N 3.24Å; V288-N290 VanDerWaalsContact C-N 3.32Å; V288-N290 PolarHBondContact O-N 2.91Å; N290-V292 PolarHBondContact O-N 3.48Å; N290-N293 PolarHBondContact O-N 2.77Å; N290-E294 WeakPolarHBondContact O-CG 2.99Å; N290-E294 PolarHBondContact O-N 2.87Å
291M87.9Confident89.9Confident7 Ų762.1 Ų62.13%0.03433%0.329CS..Hα-helixtrans-64.1-40.8177.9-67.5-178.47600112.7I264 M268 I269 L272 A287 V288 E294 G295 Y296 I301I264-M291 HydrophobicContact CG2-CE 4.05Å; M268-M291 HydrophobicContact CG-CE 4.25Å; M268-M291 HydrophobicContact CG-CG 4.29Å; M268-M291 HydrophobicContact CG-SD 4.41Å; M268-M291 HydrophobicContact SD-CE 4.08Å; M268-M291 HydrophobicContact SD-CG 3.86Å; I269-M291 HydrophobicContact CD1-CE 4.01Å; L272-M291 HydrophobicContact CB-SD 4.37Å; L272-M291 HydrophobicContact CD1-SD 4.3Å; L272-M291 HydrophobicContact CD2-CE 4.42Å; L272-M291 HydrophobicContact CD2-SD 3.79Å; L272-M291 HydrophobicContact CG-SD 4.37Å; A287-M291 WeakPolarHBondContact O-CG 3.25Å; A287-M291 PolarHBondContact O-N 2.86Å; A287-M291 VanDerWaalsContact O-N 3.11Å; V288-M291 PolarHBondContact O-N 3.23Å; M291-E294 PolarHBondContact O-N 3.27Å; M291-G295 PolarHBondContact O-N 3.09Å; M291-Y296 PolarHBondContact O-N 3.47Å; M291-I301 HydrophobicContact CB-CD1 4.19Å; M291-I301 HydrophobicContact CE-CB 4.5Å; M291-I301 HydrophobicContact CE-CD1 3.85Å; M291-I301 HydrophobicContact CE-CG1 3.86Å; M291-I301 HydrophobicContact CE-CG2 3.82Å
292V88.3Confident90Very high41 Ų4158.3 Ų58.325%0.24831%0.313CS..Hα-helixtrans-67-40.2175.3176.40000110.8V288 R289 N290 E294 G295V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 3.1Å; R289-V292 PolarHBondContact O-N 2.96Å; N290-V292 PolarHBondContact O-N 3.48Å; V292-E294 VanDerWaalsContact C-N 3.32Å; V292-E294 PolarHBondContact O-N 3.34Å; V292-G295 WeakPolarHBondContact O-CA 3.47Å; V292-G295 PolarHBondContact O-N 3.24Å
293N89.1Confident90Very high122 Ų12254 Ų5465%0.65230%0.299SS*.Hα-helixtrans-66.8-31177.2-72.1-15.2000113.3R289 N290 G295R289-N293 WeakPolarHBondContact O-CB 3.46Å; R289-N293 PolarHBondContact O-N 2.55Å; R289-N293 PolarHBondContact O-ND2 2.73Å; R289-N293 PolarHBondContact O-OD1 3.22Å; N290-N293 PolarHBondContact O-N 2.77Å; N293-G295 PolarHBondContact O-N 3.46Å
294E87.8Confident90Very high112 Ų11249.1 Ų49.152%0.52328%0.278SS..THydrogen-bonded Turntrans-71.1-10.9171.9-74-177-144.800112.4M268 N290 M291 V292 Y296M268-E294 WeakPolarHBondContact CE-OE2 3.43Å; N290-E294 WeakPolarHBondContact O-CG 2.99Å; N290-E294 PolarHBondContact O-N 2.87Å; M291-E294 PolarHBondContact O-N 3.27Å; V292-E294 VanDerWaalsContact C-N 3.32Å; V292-E294 PolarHBondContact O-N 3.34Å; E294-Y296 HydrophobicContact CB-CD2 3.82Å; E294-Y296 HydrophobicContact CB-CE2 3.7Å; E294-Y296 VanDerWaalsContact OE2-CE2 3.27Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.42Å
295G87.3Confident90Very high63 Ų6349.2 Ų49.265%0.64928%0.278SS*.THydrogen-bonded Turntrans8516.7172.800000114.5M291 V292 N293M291-G295 PolarHBondContact O-N 3.09Å; V292-G295 WeakPolarHBondContact O-CA 3.47Å; V292-G295 PolarHBondContact O-N 3.24Å; N293-G295 PolarHBondContact O-N 3.46Å
296Y88.7Confident90Very high50 Ų5049.8 Ų49.820%0.19628%0.281CS..  trans-73.4129.7173-62.9-70.3000110.7I264 M268 M291 E294 A298I264-Y296 HydrophobicContact CB-CD1 4.32Å; I264-Y296 HydrophobicContact CB-CE1 4.41Å; I264-Y296 HydrophobicContact CD1-CG 4.48Å; I264-Y296 HydrophobicContact CG1-CD1 3.42Å; I264-Y296 VanDerWaalsContact CG1-CD1 3.42Å; I264-Y296 HydrophobicContact CG1-CD2 4.12Å; I264-Y296 HydrophobicContact CG1-CE1 3.99Å; I264-Y296 HydrophobicContact CG1-CG 3.5Å; I264-Y296 HydrophobicContact CG2-CE2 4.47Å; M268-Y296 HydrophobicContact CE-CE2 3.96Å; M268-Y296 HydrophobicContact SD-CD2 4.25Å; M268-Y296 HydrophobicContact SD-CE2 3.82Å; M291-Y296 PolarHBondContact O-N 3.47Å; E294-Y296 HydrophobicContact CB-CD2 3.82Å; E294-Y296 HydrophobicContact CB-CE2 3.7Å; E294-Y296 VanDerWaalsContact OE2-CE2 3.27Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.42Å; Y296-A298 PolarHBondContact O-N 2.8Å
297A89.7Confident89.9Confident44 Ų4449.9 Ų49.936%0.36428%0.279SS..  trans-63.3131.8176.700000111T299 Q300 I301A297-T299 PolarHBondContact O-N 3.1Å; A297-T299 VanDerWaalsContact O-N 3.14Å; A297-Q300 WeakPolarHBondContact O-CB 3.23Å; A297-Q300 PolarHBondContact O-N 3.3Å; A297-I301 PolarHBondContact O-N 2.95Å
298A89.8Confident89.8Confident1 Ų150.7 Ų50.71%0.00828%0.283CS..Hα-helixtrans-57.1-30.8178.200000113.4Y296 Q300 I301 L302 L333 E339 M343Y296-A298 PolarHBondContact O-N 2.8Å; A298-Q300 VanDerWaalsContact C-N 3.32Å; A298-Q300 PolarHBondContact O-N 3.27Å; A298-I301 PolarHBondContact O-N 2.97Å; A298-L302 WeakPolarHBondContact O-CB 3.29Å; A298-L302 PolarHBondContact O-N 3.06Å; A298-L333 HydrophobicContact CB-CD1 3.91Å; A298-L333 HydrophobicContact CB-CD2 3.87Å; A298-E339 HydrophobicContact CB-CB 3.8Å; A298-E339 HydrophobicContact CB-CG 3.86Å; A298-M343 HydrophobicContact CB-CG 3.68Å; A298-M343 HydrophobicContact CB-SD 3.92Å
299T90.8Very high89.7Confident82 Ų8250.5 Ų50.550%0.50328%0.282SS..Hα-helixtrans-61.7-38.417551.50000112.5A297 L302 S303 L333A297-T299 PolarHBondContact O-N 3.1Å; A297-T299 VanDerWaalsContact O-N 3.14Å; T299-L302 PolarHBondContact O-N 2.82Å; T299-S303 PolarHBondContact O-N 2.85Å; T299-S303 VanDerWaalsContact O-N 3.08Å; T299-L333 HydrophobicContact CG2-CB 4.34Å; T299-L333 HydrophobicContact CG2-CD1 4.38Å
300Q89.3Confident89.5Confident63 Ų6350.3 Ų50.329%0.29429%0.288SS..Hα-helixtrans-71.5-40.6176.5-170.863.220.500111.1I264 A297 A298 L302 S303 Q304I264-Q300 HydrophobicContact CD1-CB 4.15Å; I264-Q300 HydrophobicContact CD1-CG 3.93Å; A297-Q300 WeakPolarHBondContact O-CB 3.23Å; A297-Q300 PolarHBondContact O-N 3.3Å; A298-Q300 VanDerWaalsContact C-N 3.32Å; A298-Q300 PolarHBondContact O-N 3.27Å; Q300-L302 VanDerWaalsContact C-N 3.3Å; Q300-L302 PolarHBondContact O-N 3.23Å; Q300-S303 PolarHBondContact O-N 3.2Å; Q300-Q304 PolarHBondContact O-N 3.2Å
301I90.7Very high89.3Confident3 Ų354.4 Ų54.42%0.01531%0.305CS..Hα-helixtrans-59.8-45.2175-52.3171.2000109.6I264 I269 L272 M291 A297 A298 Q304 L305 M343I264-I301 HydrophobicContact CD1-CB 3.94Å; I264-I301 HydrophobicContact CD1-CG1 3.36Å; I264-I301 HydrophobicContact CG1-CG1 4.41Å; I269-I301 HydrophobicContact CD1-CG2 4.18Å; L272-I301 HydrophobicContact CD2-CG2 4.32Å; M291-I301 HydrophobicContact CB-CD1 4.19Å; M291-I301 HydrophobicContact CE-CB 4.5Å; M291-I301 HydrophobicContact CE-CD1 3.85Å; M291-I301 HydrophobicContact CE-CG1 3.86Å; M291-I301 HydrophobicContact CE-CG2 3.82Å; A297-I301 PolarHBondContact O-N 2.95Å; A298-I301 PolarHBondContact O-N 2.97Å; I301-Q304 PolarHBondContact O-N 3.28Å; I301-L305 HydrophobicContact CG2-CD1 3.74Å; I301-L305 HydrophobicContact CG2-CG 4.2Å; I301-L305 VanDerWaalsContact O-CB 3.28Å; I301-L305 WeakPolarHBondContact O-CB 3.45Å; I301-L305 VanDerWaalsContact O-CG 3.25Å; I301-L305 WeakPolarHBondContact O-CG 3.24Å; I301-L305 PolarHBondContact O-N 3.46Å; I301-M343 HydrophobicContact CB-CE 3.84Å; I301-M343 HydrophobicContact CB-SD 4.49Å; I301-M343 HydrophobicContact CG2-CE 3.43Å; I301-M343 VanDerWaalsContact CG2-CE 3.43Å
302L92Very high89Confident22 Ų2257.1 Ų57.112%0.11532%0.316CS..Hα-helixtrans-60-46.9178.9-173.473.2000112A298 T299 Q300 L305 H306 M326 V329 G330 L333 L346A298-L302 WeakPolarHBondContact O-CB 3.29Å; A298-L302 PolarHBondContact O-N 3.06Å; T299-L302 PolarHBondContact O-N 2.82Å; Q300-L302 VanDerWaalsContact C-N 3.3Å; Q300-L302 PolarHBondContact O-N 3.23Å; L302-L305 PolarHBondContact O-N 3.06Å; L302-H306 PolarHBondContact O-N 3.07Å; L302-M326 HydrophobicContact CD1-CB 3.99Å; L302-M326 HydrophobicContact CD1-CE 3.61Å; L302-M326 HydrophobicContact CD1-CG 4.04Å; L302-M326 HydrophobicContact CG-CE 4.1Å; L302-M326 WeakPolarHBondContact O-CE 3.26Å; L302-V329 HydrophobicContact CD1-CG1 4.19Å; L302-G330 VanDerWaalsContact CD2-CA 3.49Å; L302-L333 HydrophobicContact CD2-CD1 4.4Å; L302-L346 HydrophobicContact CD1-CD2 3.42Å; L302-L346 VanDerWaalsContact CD1-CD2 3.42Å
303S90.3Very high88.6Confident56 Ų5663.5 Ų63.539%0.39235%0.349SS..Hα-helixtrans-63.9-46-179.8-163.10000112T299 Q300 H306 D307T299-S303 PolarHBondContact O-N 2.85Å; T299-S303 VanDerWaalsContact O-N 3.08Å; Q300-S303 PolarHBondContact O-N 3.2Å; S303-H306 WeakPolarHBondContact O-CB 3.33Å; S303-H306 PolarHBondContact O-N 3.27Å; S303-D307 PolarHBondContact O-N 2.91Å
304Q90.1Very high88.3Confident28 Ų2858.8 Ų58.813%0.13132%0.324CS..Hα-helixtrans-69.6-36.8179.6-70.1-173.4-7.200112.8I264 I269 Q300 I301 H306 D307 C308I264-Q304 PolarHBondContact O-NE2 3.06Å; I264-Q304 PolarHBondContact O-OE1 2.76Å; I269-Q304 HydrophobicContact CD1-CB 4.33Å; I269-Q304 HydrophobicContact CG1-CB 4.31Å; Q300-Q304 PolarHBondContact O-N 3.2Å; I301-Q304 PolarHBondContact O-N 3.28Å; Q304-H306 PolarHBondContact O-N 3.18Å; Q304-D307 PolarHBondContact O-N 2.83Å; Q304-C308 PolarHBondContact O-N 2.93Å; Q304-C308 PolarHBondContact O-SG 2.9Å; Q304-C308 VanDerWaalsContact O-SG 3.34Å
305L90.6Very high88.4Confident1 Ų157.1 Ų57.11%0.00532%0.321CS..Hα-helixtrans-60.3-38173.1-80.6172.2000111.4I269 L272 L273 I301 L302 C308 I309 M326 M343 L346I269-L305 HydrophobicContact CG2-CD2 3.97Å; L272-L305 HydrophobicContact CD2-CD1 4.09Å; L272-L305 HydrophobicContact CD2-CD2 4.21Å; L273-L305 HydrophobicContact CD1-CD2 4.31Å; L273-L305 HydrophobicContact CD2-CD2 3.55Å; L273-L305 HydrophobicContact CG-CD2 3.77Å; I301-L305 HydrophobicContact CG2-CD1 3.74Å; I301-L305 HydrophobicContact CG2-CG 4.2Å; I301-L305 VanDerWaalsContact O-CB 3.28Å; I301-L305 WeakPolarHBondContact O-CB 3.45Å; I301-L305 VanDerWaalsContact O-CG 3.25Å; I301-L305 WeakPolarHBondContact O-CG 3.24Å; I301-L305 PolarHBondContact O-N 3.46Å; L302-L305 PolarHBondContact O-N 3.06Å; L305-C308 PolarHBondContact O-N 2.8Å; L305-I309 HydrophobicContact CB-CD1 4.5Å; L305-I309 WeakPolarHBondContact O-CB 3.45Å; L305-I309 VanDerWaalsContact O-CD1 3.32Å; L305-I309 WeakPolarHBondContact O-CD1 3.45Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 2.79Å; L305-M326 HydrophobicContact CB-CE 4.05Å; L305-M343 HydrophobicContact CD1-CE 3.96Å; L305-L346 HydrophobicContact CD1-CD2 4.36Å
306H91.6Very high88.4Confident72 Ų7260.5 Ų60.533%0.33332%0.324SS..Hα-helixtrans-61.2-49.3179.3167.6-87.6000110.1L302 S303 Q304 C308 I309 L310 F323 M326L302-H306 PolarHBondContact O-N 3.07Å; S303-H306 WeakPolarHBondContact O-CB 3.33Å; S303-H306 PolarHBondContact O-N 3.27Å; Q304-H306 PolarHBondContact O-N 3.18Å; H306-C308 PolarHBondContact O-N 2.81Å; H306-I309 PolarHBondContact O-N 2.91Å; H306-L310 WeakPolarHBondContact O-CB 3.48Å; H306-L310 PolarHBondContact O-N 2.99Å; H306-F323 AromaticContact CD2-CD1 3.96Å; H306-F323 AromaticContact CD2-CE1 3.73Å; H306-M326 HydrophobicContact CB-CE 3.61Å; H306-M326 HydrophobicContact CB-SD 4.4Å
307D89.3Confident88.4Confident79 Ų7965.8 Ų65.842%0.42235%0.351SS..Hα-helixtrans-64.4-42.7-178.6-59.9-19.9000111.4S303 Q304 I309 L310 E311S303-D307 PolarHBondContact O-N 2.91Å; Q304-D307 PolarHBondContact O-N 2.83Å; D307-I309 VanDerWaalsContact C-N 3.35Å; D307-I309 PolarHBondContact O-N 2.85Å; D307-L310 WeakPolarHBondContact O-CB 3.42Å; D307-L310 PolarHBondContact O-N 2.9Å; D307-E311 PolarHBondContact O-N 3.48Å
308C89.1Confident88.3Confident34 Ų3464.6 Ų64.623%0.2334%0.338CS..Hα-helixtrans-65.7-32.9176-67.90000113.7I269 L273 Q304 L305 H306 K312I269-C308 HydrophobicContact CG2-CB 4.41Å; L273-C308 HydrophobicContact CD1-CB 3.7Å; Q304-C308 PolarHBondContact O-N 2.93Å; Q304-C308 PolarHBondContact O-SG 2.9Å; Q304-C308 VanDerWaalsContact O-SG 3.34Å; L305-C308 PolarHBondContact O-N 2.8Å; H306-C308 PolarHBondContact O-N 2.81Å; C308-K312 WeakPolarHBondContact O-CG 3.41Å; C308-K312 PolarHBondContact O-N 3.09Å
309I88.8Confident88.4Confident0 Ų066.2 Ų66.20%035%0.345CS..Hα-helixtrans-76.5-34.1178.3-70.1163.9000110.7L273 L305 H306 D307 E311 K312 I314 I322 F323 M326 I350L273-I309 HydrophobicContact CD2-CD1 4.41Å; L273-I309 HydrophobicContact CD2-CG1 4.2Å; L305-I309 HydrophobicContact CB-CD1 4.5Å; L305-I309 WeakPolarHBondContact O-CB 3.45Å; L305-I309 VanDerWaalsContact O-CD1 3.32Å; L305-I309 WeakPolarHBondContact O-CD1 3.45Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 2.79Å; H306-I309 PolarHBondContact O-N 2.91Å; D307-I309 VanDerWaalsContact C-N 3.35Å; D307-I309 PolarHBondContact O-N 2.85Å; I309-E311 VanDerWaalsContact C-N 3.31Å; I309-E311 PolarHBondContact O-N 3.26Å; I309-K312 PolarHBondContact O-N 2.89Å; I309-I314 HydrophobicContact CG2-CD1 4.4Å; I309-I322 HydrophobicContact CD1-CG2 3.92Å; I309-F323 HydrophobicContact CB-CE1 4.17Å; I309-F323 HydrophobicContact CG2-CE1 3.72Å; I309-F323 HydrophobicContact CG2-CZ 3.96Å; I309-M326 HydrophobicContact CD1-SD 4.24Å; I309-I350 HydrophobicContact CD1-CD1 4.09Å
310L88.4Confident88.4Confident98 Ų9866 Ų6651%0.51335%0.346SS..Hα-helixtrans-57.6-46.5175.4-164.684.4000111.1H306 D307 K312 K319 F323H306-L310 WeakPolarHBondContact O-CB 3.48Å; H306-L310 PolarHBondContact O-N 2.99Å; D307-L310 WeakPolarHBondContact O-CB 3.42Å; D307-L310 PolarHBondContact O-N 2.9Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.32Å; L310-K319 PolarHBondContact O-NZ 2.95Å; L310-K319 VanDerWaalsContact O-NZ 3.15Å; L310-F323 HydrophobicContact CD1-CE2 4.32Å; L310-F323 HydrophobicContact CD1-CZ 4.11Å
311E85.8Confident88.6Confident165 Ų16564.4 Ų64.477%0.77134%0.344SS*.Hα-helixtrans-74.9-16.9-178.3-67.6-176.6170.700114.4D307 I309D307-E311 PolarHBondContact O-N 3.48Å; I309-E311 VanDerWaalsContact C-N 3.31Å; I309-E311 PolarHBondContact O-N 3.26Å
312K81.4Confident88.6Confident64 Ų6464.3 Ų64.328%0.27834%0.343SS..SBendtrans-79147.6-177.9-86.6-176.2175.5-172.20113.3F277 C308 I309 L310 I314 K319F277-K312 HydrophobicContact CE2-CD 4.34Å; C308-K312 WeakPolarHBondContact O-CG 3.41Å; C308-K312 PolarHBondContact O-N 3.09Å; I309-K312 PolarHBondContact O-N 2.89Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.32Å; K312-I314 HydrophobicContact CB-CD1 3.79Å; K312-I314 HydrophobicContact CB-CG1 4.01Å; K312-I314 HydrophobicContact CD-CD1 4.26Å; K312-I314 PolarHBondContact O-N 3.03Å; K312-K319 WeakPolarHBondContact O-CE 3.48Å; K312-K319 PolarHBondContact O-NZ 3.3Å
313D79.6Confident88.7Confident174 Ų17465.9 Ų65.993%0.9335%0.349SS*.  trans-78.180.5172.1-64.8-37.3000110.8
314I84.1Confident88.9Confident24 Ų2469.9 Ų69.912%0.12336%0.362CS..  trans-122.9152.8176.9-59.8164.6000107.4F277 I309 K312 Q318 K319F277-I314 HydrophobicContact CE1-CD1 4.15Å; F277-I314 HydrophobicContact CE1-CG1 4.47Å; F277-I314 HydrophobicContact CE2-CD1 4.46Å; F277-I314 HydrophobicContact CZ-CD1 3.53Å; F277-I314 HydrophobicContact CZ-CG1 4.28Å; I309-I314 HydrophobicContact CG2-CD1 4.4Å; K312-I314 HydrophobicContact CB-CD1 3.79Å; K312-I314 HydrophobicContact CB-CG1 4.01Å; K312-I314 HydrophobicContact CD-CD1 4.26Å; K312-I314 PolarHBondContact O-N 3.03Å; I314-Q318 HydrophobicContact CG2-CB 3.51Å; I314-Q318 HydrophobicContact CG2-CG 4.39Å; I314-K319 HydrophobicContact CB-CG 4.15Å; I314-K319 HydrophobicContact CG2-CG 4.27Å; I314-K319 WeakPolarHBondContact O-CE 3.5Å
315T88.5Confident89.1Confident76 Ų7671 Ų7147%0.46637%0.366SS..  trans-63.2149178.269.30000111.7E317 Q318 K319T315-E317 PolarHBondContact O-N 3.45Å; T315-Q318 PolarHBondContact O-N 2.99Å; T315-Q318 WeakPolarHBondContact OG1-CB 3.38Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 2.76Å; T315-Q318 PolarHBondContact OG1-OE1 3.02Å; T315-Q318 VanDerWaalsContact OG1-OE1 3.1Å; T315-K319 PolarHBondContact O-N 3.32Å
316D88.9Confident89.3Confident134 Ų13471.4 Ų71.472%0.71737%0.368SS*.Hα-helixtrans-61.5-33-178.9-70.4-20.9000112.4K319 S320D316-K319 PolarHBondContact O-N 3.46Å; D316-S320 WeakPolarHBondContact O-CB 3.5Å; D316-S320 PolarHBondContact O-N 3.3Å
317E88.7Confident89.5Confident162 Ų16271.2 Ų71.276%0.75738%0.379SS*.Hα-helixtrans-65.3-45.2176.5-171.9170.6-167.900111.5T315 S320 A321T315-E317 PolarHBondContact O-N 3.45Å; E317-S320 PolarHBondContact O-N 2.7Å; E317-A321 PolarHBondContact O-N 2.93Å
318Q87.8Confident89.7Confident18 Ų1871 Ų718%0.08438%0.38CS..Hα-helixtrans-65.3-42.9175.5-73.4168.1-15.900111.3I314 T315 S320 A321 I322 Q353 S357I314-Q318 HydrophobicContact CG2-CB 3.51Å; I314-Q318 HydrophobicContact CG2-CG 4.39Å; T315-Q318 PolarHBondContact O-N 2.99Å; T315-Q318 WeakPolarHBondContact OG1-CB 3.38Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 2.76Å; T315-Q318 PolarHBondContact OG1-OE1 3.02Å; T315-Q318 VanDerWaalsContact OG1-OE1 3.1Å; Q318-S320 VanDerWaalsContact C-N 3.32Å; Q318-S320 PolarHBondContact O-N 3.42Å; Q318-A321 PolarHBondContact O-N 3.46Å; Q318-I322 WeakPolarHBondContact O-CD1 3.38Å; Q318-I322 VanDerWaalsContact O-CG1 3.22Å; Q318-I322 WeakPolarHBondContact O-CG1 3.27Å; Q318-I322 PolarHBondContact O-N 3.35Å; Q318-Q353 HydrophobicContact CG-CB 4.42Å; Q318-Q353 PolarHBondContact NE2-O 3.47Å; Q318-Q353 VanDerWaalsContact NE2-O 3.1Å; Q318-S357 PolarHBondContact NE2-OG 3.42Å
319K90.7Very high90Very high36 Ų3669.3 Ų69.316%0.15737%0.369CS..Hα-helixtrans-58.6-45.1174.7-73.4-175.6179.1-1740111.1L310 K312 I314 T315 D316 I322 F323L310-K319 PolarHBondContact O-NZ 2.95Å; L310-K319 VanDerWaalsContact O-NZ 3.15Å; K312-K319 WeakPolarHBondContact O-CE 3.48Å; K312-K319 PolarHBondContact O-NZ 3.3Å; I314-K319 HydrophobicContact CB-CG 4.15Å; I314-K319 HydrophobicContact CG2-CG 4.27Å; I314-K319 WeakPolarHBondContact O-CE 3.5Å; T315-K319 PolarHBondContact O-N 3.32Å; D316-K319 PolarHBondContact O-N 3.46Å; K319-I322 PolarHBondContact O-N 3.4Å; K319-F323 HydrophobicContact CB-CD2 4.41Å; K319-F323 HydrophobicContact CB-CE2 4.11Å; K319-F323 WeakPolarHBondContact O-CB 3.41Å; K319-F323 VanDerWaalsContact O-CD2 3.3Å; K319-F323 WeakPolarHBondContact O-CD2 3.34Å; K319-F323 VanDerWaalsContact O-CG 3.23Å; K319-F323 WeakPolarHBondContact O-CG 3.42Å; K319-F323 PolarHBondContact O-N 3.06Å
320S91.9Very high90.3Very high77 Ų7770.5 Ų70.554%0.53838%0.381SS..Hα-helixtrans-59.9-49.2178.4-1730000112.1D316 E317 Q318 I322 F323 E324D316-S320 WeakPolarHBondContact O-CB 3.5Å; D316-S320 PolarHBondContact O-N 3.3Å; E317-S320 PolarHBondContact O-N 2.7Å; Q318-S320 VanDerWaalsContact C-N 3.32Å; Q318-S320 PolarHBondContact O-N 3.42Å; S320-I322 VanDerWaalsContact C-N 3.32Å; S320-I322 PolarHBondContact O-N 3.1Å; S320-F323 PolarHBondContact O-N 2.82Å; S320-E324 PolarHBondContact O-N 3.47Å
321A91.8Very high90.6Very high29 Ų2972.4 Ų72.424%0.2439%0.385CS..Hα-helixtrans-61.9-39.6179.500000112.3E317 Q318 K325 Q353E317-A321 PolarHBondContact O-N 2.93Å; Q318-A321 PolarHBondContact O-N 3.46Å; A321-K325 PolarHBondContact O-N 3.13Å; A321-Q353 HydrophobicContact CB-CG 4.2Å
322I92.1Very high91Very high2 Ų266.3 Ų66.31%0.0136%0.36CS..Hα-helixtrans-67.3-48177-65.8165.5000110.6I309 Q318 K319 S320 E324 K325 M326 I350 Q353I309-I322 HydrophobicContact CD1-CG2 3.92Å; Q318-I322 WeakPolarHBondContact O-CD1 3.38Å; Q318-I322 VanDerWaalsContact O-CG1 3.22Å; Q318-I322 WeakPolarHBondContact O-CG1 3.27Å; Q318-I322 PolarHBondContact O-N 3.35Å; K319-I322 PolarHBondContact O-N 3.4Å; S320-I322 VanDerWaalsContact C-N 3.32Å; S320-I322 PolarHBondContact O-N 3.1Å; I322-E324 VanDerWaalsContact C-N 3.34Å; I322-E324 PolarHBondContact O-N 3.45Å; I322-K325 PolarHBondContact O-N 2.96Å; I322-K325 VanDerWaalsContact O-N 3.14Å; I322-M326 HydrophobicContact CG2-CG 4.18Å; I322-M326 HydrophobicContact CG2-SD 3.95Å; I322-M326 VanDerWaalsContact O-CG 3.3Å; I322-M326 WeakPolarHBondContact O-CG 3.36Å; I322-M326 PolarHBondContact O-N 3.3Å; I322-I350 HydrophobicContact CD1-CG1 4.4Å; I322-I350 HydrophobicContact CD1-CG2 4.42Å; I322-I350 HydrophobicContact CG1-CG1 4.19Å; I322-I350 HydrophobicContact CG2-CD1 4.27Å; I322-I350 HydrophobicContact CG2-CG1 3.79Å; I322-Q353 HydrophobicContact CD1-CB 4.33Å; I322-Q353 HydrophobicContact CG1-CB 4.29Å; I322-Q353 HydrophobicContact CG1-CG 4.24Å
323F93.4Very high91.6Very high54 Ų5464.2 Ų64.224%0.23735%0.352CS..Hα-helixtrans-65.3-34.8-178.4-67.3-27.9000113.3H306 I309 L310 K319 S320 K325 M326 A327H306-F323 AromaticContact CD2-CD1 3.96Å; H306-F323 AromaticContact CD2-CE1 3.73Å; I309-F323 HydrophobicContact CB-CE1 4.17Å; I309-F323 HydrophobicContact CG2-CE1 3.72Å; I309-F323 HydrophobicContact CG2-CZ 3.96Å; L310-F323 HydrophobicContact CD1-CE2 4.32Å; L310-F323 HydrophobicContact CD1-CZ 4.11Å; K319-F323 HydrophobicContact CB-CD2 4.41Å; K319-F323 HydrophobicContact CB-CE2 4.11Å; K319-F323 WeakPolarHBondContact O-CB 3.41Å; K319-F323 VanDerWaalsContact O-CD2 3.3Å; K319-F323 WeakPolarHBondContact O-CD2 3.34Å; K319-F323 VanDerWaalsContact O-CG 3.23Å; K319-F323 WeakPolarHBondContact O-CG 3.42Å; K319-F323 PolarHBondContact O-N 3.06Å; S320-F323 PolarHBondContact O-N 2.82Å; F323-K325 VanDerWaalsContact C-N 3.35Å; F323-M326 HydrophobicContact CD1-SD 3.85Å; F323-M326 HydrophobicContact CE1-SD 4.29Å; F323-M326 PolarHBondContact O-N 3.21Å; F323-A327 PolarHBondContact O-N 3.09Å
324E94.8Very high92.3Very high140 Ų14060 Ų6065%0.65434%0.342SS*.Hα-helixtrans-59.7-47.2171.4-175.5177.5-174.700110.9S320 I322 M326 A327 V328S320-E324 PolarHBondContact O-N 3.47Å; I322-E324 VanDerWaalsContact C-N 3.34Å; I322-E324 PolarHBondContact O-N 3.45Å; E324-M326 VanDerWaalsContact C-N 3.34Å; E324-M326 PolarHBondContact O-N 3.18Å; E324-A327 PolarHBondContact O-N 2.9Å; E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 3.25Å; E324-V328 VanDerWaalsContact O-N 3.13Å
325K94.3Very high92.7Very high52 Ų5264.8 Ų64.823%0.22637%0.367CS..Hα-helixtrans-64.3-39.3177.2-17562.5175.41780112.2A321 I322 F323 A327 V328 V329 S345 L346 V349A321-K325 PolarHBondContact O-N 3.13Å; I322-K325 PolarHBondContact O-N 2.96Å; I322-K325 VanDerWaalsContact O-N 3.14Å; F323-K325 VanDerWaalsContact C-N 3.35Å; K325-A327 VanDerWaalsContact C-N 3.32Å; K325-A327 PolarHBondContact O-N 2.98Å; K325-V328 PolarHBondContact O-N 2.91Å; K325-V329 WeakPolarHBondContact O-CB 3.4Å; K325-V329 WeakPolarHBondContact O-CG2 3.44Å; K325-V329 PolarHBondContact O-N 3.38Å; K325-S345 WeakPolarHBondContact CE-OG 3.24Å; K325-S345 PolarHBondContact NZ-OG 3.32Å; K325-L346 HydrophobicContact CB-CD1 4.36Å; K325-L346 HydrophobicContact CG-CD1 4.01Å; K325-V349 HydrophobicContact CB-CB 4.5Å; K325-V349 HydrophobicContact CB-CG1 4.11Å; K325-V349 HydrophobicContact CD-CG2 4.09Å; K325-V349 HydrophobicContact CG-CB 4.03Å; K325-V349 HydrophobicContact CG-CG1 4.19Å; K325-V349 HydrophobicContact CG-CG2 3.9Å
326M94.3Very high92.9Very high10 Ų1064.3 Ų64.35%0.04938%0.378CS..Hα-helixtrans-61.1-40.7175.6-70.4-17782.700111.8L302 L305 H306 I309 I322 F323 E324 V329 G330 L346L302-M326 HydrophobicContact CD1-CB 3.99Å; L302-M326 HydrophobicContact CD1-CE 3.61Å; L302-M326 HydrophobicContact CD1-CG 4.04Å; L302-M326 HydrophobicContact CG-CE 4.1Å; L302-M326 WeakPolarHBondContact O-CE 3.26Å; L305-M326 HydrophobicContact CB-CE 4.05Å; H306-M326 HydrophobicContact CB-CE 3.61Å; H306-M326 HydrophobicContact CB-SD 4.4Å; I309-M326 HydrophobicContact CD1-SD 4.24Å; I322-M326 HydrophobicContact CG2-CG 4.18Å; I322-M326 HydrophobicContact CG2-SD 3.95Å; I322-M326 VanDerWaalsContact O-CG 3.3Å; I322-M326 WeakPolarHBondContact O-CG 3.36Å; I322-M326 PolarHBondContact O-N 3.3Å; F323-M326 HydrophobicContact CD1-SD 3.85Å; F323-M326 HydrophobicContact CE1-SD 4.29Å; F323-M326 PolarHBondContact O-N 3.21Å; E324-M326 VanDerWaalsContact C-N 3.34Å; E324-M326 PolarHBondContact O-N 3.18Å; M326-V329 PolarHBondContact O-N 2.67Å; M326-G330 PolarHBondContact O-N 2.88Å; M326-L346 HydrophobicContact CB-CD1 4.4Å; M326-L346 HydrophobicContact CE-CD2 4.5Å; M326-L346 HydrophobicContact CG-CD1 3.43Å; M326-L346 VanDerWaalsContact CG-CD1 3.43Å; M326-L346 HydrophobicContact CG-CD2 4.07Å; M326-L346 HydrophobicContact CG-CG 4.39Å
327A95.1Very high93.2Very high68 Ų6859.5 Ų59.556%0.56236%0.357SS*.Hα-helixtrans-64.7-42.3176.800000112.1F323 E324 K325 G330 K331F323-A327 PolarHBondContact O-N 3.09Å; E324-A327 PolarHBondContact O-N 2.9Å; K325-A327 VanDerWaalsContact C-N 3.32Å; K325-A327 PolarHBondContact O-N 2.98Å; A327-G330 PolarHBondContact O-N 2.99Å; A327-K331 PolarHBondContact O-N 3.24Å
328V95.3Very high93.5Very high73 Ų7356.1 Ų56.144%0.44234%0.344SS..Hα-helixtrans-61.5-47.4175.1174.40000110.7E324 K325 K331 C332E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 3.25Å; E324-V328 VanDerWaalsContact O-N 3.13Å; K325-V328 PolarHBondContact O-N 2.91Å; V328-K331 PolarHBondContact O-N 3.48Å; V328-C332 PolarHBondContact O-N 3.1Å; V328-C332 PolarHBondContact O-SG 2.92Å; V328-C332 VanDerWaalsContact O-SG 3.33Å
329V95Very high93.7Very high0 Ų059.1 Ų59.10%036%0.358CS..Hα-helixtrans-63.2-43.5178.2164.40000111.2L302 K325 M326 K331 C332 L333 Q342 L346L302-V329 HydrophobicContact CD1-CG1 4.19Å; K325-V329 WeakPolarHBondContact O-CB 3.4Å; K325-V329 WeakPolarHBondContact O-CG2 3.44Å; K325-V329 PolarHBondContact O-N 3.38Å; M326-V329 PolarHBondContact O-N 2.67Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 3.27Å; V329-C332 PolarHBondContact O-N 3.45Å; V329-C332 VanDerWaalsContact O-N 3.14Å; V329-L333 HydrophobicContact CG1-CD1 3.92Å; V329-L333 HydrophobicContact CG1-CG 4.23Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.13Å; V329-L333 PolarHBondContact O-N 3.35Å; V329-Q342 HydrophobicContact CG1-CB 4Å; V329-L346 HydrophobicContact CG2-CB 4.22Å
330G94.3Very high93.8Very high24 Ų2459.8 Ų59.825%0.24736%0.36CS..Hα-helixtrans-58.2-41.5176.300000112.6L302 M326 A327 A334L302-G330 VanDerWaalsContact CD2-CA 3.49Å; M326-G330 PolarHBondContact O-N 2.88Å; A327-G330 PolarHBondContact O-N 2.99Å; G330-A334 PolarHBondContact O-N 2.9Å
331K95.4Very high93.9Very high139 Ų13961 Ų6160%0.60436%0.36SS*.Hα-helixtrans-64.7-47.4172.6-178.1-176.6173.4-176.10111.9A327 V328 V329 L333 A334 D335A327-K331 PolarHBondContact O-N 3.24Å; V328-K331 PolarHBondContact O-N 3.48Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 3.27Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.4Å; K331-A334 WeakPolarHBondContact O-CB 3.14Å; K331-A334 PolarHBondContact O-N 2.89Å; K331-A334 VanDerWaalsContact O-N 3.09Å; K331-D335 PolarHBondContact O-N 3.39Å
332C94.5Very high94Very high36 Ų3661.6 Ų61.624%0.24336%0.358CS..Hα-helixtrans-60.6-39.4179.4-70.40000112.3V328 V329 A334 D335 G336 A337 Q342V328-C332 PolarHBondContact O-N 3.1Å; V328-C332 PolarHBondContact O-SG 2.92Å; V328-C332 VanDerWaalsContact O-SG 3.33Å; V329-C332 PolarHBondContact O-N 3.45Å; V329-C332 VanDerWaalsContact O-N 3.14Å; C332-A334 VanDerWaalsContact C-N 3.35Å; C332-D335 PolarHBondContact O-N 3.07Å; C332-G336 PolarHBondContact O-N 2.9Å; C332-A337 HydrophobicContact CB-CB 3.98Å; C332-A337 WeakPolarHBondContact O-CB 3.13Å; C332-A337 PolarHBondContact O-N 3.01Å; C332-Q342 HydrophobicContact CB-CG 4.26Å
333L93.9Very high94Very high20 Ų2061.6 Ų61.611%0.10536%0.357CS..Hα-helixtrans-63.5-41.1173.6-69173.6000111.3A298 T299 L302 V329 K331 D335 G336 E339 Q342A298-L333 HydrophobicContact CB-CD1 3.91Å; A298-L333 HydrophobicContact CB-CD2 3.87Å; T299-L333 HydrophobicContact CG2-CB 4.34Å; T299-L333 HydrophobicContact CG2-CD1 4.38Å; L302-L333 HydrophobicContact CD2-CD1 4.4Å; V329-L333 HydrophobicContact CG1-CD1 3.92Å; V329-L333 HydrophobicContact CG1-CG 4.23Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.13Å; V329-L333 PolarHBondContact O-N 3.35Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.4Å; L333-D335 VanDerWaalsContact C-N 3.29Å; L333-D335 PolarHBondContact O-N 3.2Å; L333-G336 PolarHBondContact O-N 3.26Å; L333-G336 VanDerWaalsContact O-N 3.09Å; L333-E339 HydrophobicContact CD2-CG 4.14Å; L333-Q342 HydrophobicContact CD2-CB 4.01Å; L333-Q342 HydrophobicContact CD2-CG 4.2Å; L333-Q342 HydrophobicContact CG-CB 4.41Å
334A92.6Very high94Very high87 Ų8760 Ų6072%0.71935%0.351SS*.Hα-helixtrans-65.2-31.6175.200000113.2G330 K331 C332 G336G330-A334 PolarHBondContact O-N 2.9Å; K331-A334 WeakPolarHBondContact O-CB 3.14Å; K331-A334 PolarHBondContact O-N 2.89Å; K331-A334 VanDerWaalsContact O-N 3.09Å; C332-A334 VanDerWaalsContact C-N 3.35Å; A334-G336 PolarHBondContact O-N 2.95Å
335D94.3Very high93.9Very high123 Ų12355.4 Ų55.466%0.65834%0.335SS*.THydrogen-bonded Turntrans-78-3.6174.4-68.9-25.5000112.9K331 C332 L333K331-D335 PolarHBondContact O-N 3.39Å; C332-D335 PolarHBondContact O-N 3.07Å; L333-D335 VanDerWaalsContact C-N 3.29Å; L333-D335 PolarHBondContact O-N 3.2Å
336G92.8Very high93.9Very high66 Ų6652.9 Ų52.968%0.6832%0.324SS*.THydrogen-bonded Turntrans86.827.4177.500000114.9C332 L333 A334C332-G336 PolarHBondContact O-N 2.9Å; L333-G336 PolarHBondContact O-N 3.26Å; L333-G336 VanDerWaalsContact O-N 3.09Å; A334-G336 PolarHBondContact O-N 2.95Å
337A94.3Very high93.8Very high34 Ų3452.4 Ų52.428%0.28132%0.322SS..  trans-69.3161.7173.500000112.8C332 E339 Q342C332-A337 HydrophobicContact CB-CB 3.98Å; C332-A337 WeakPolarHBondContact O-CB 3.13Å; C332-A337 PolarHBondContact O-N 3.01Å; A337-E339 PolarHBondContact O-N 3.18Å; A337-Q342 HydrophobicContact CB-CG 3.88Å
338D93.8Very high93.6Very high91 Ų9150.4 Ų50.449%0.48730%0.303SS..  trans-62.9121179.3-176.4-86000112.6Y340 L341 Q342D338-Y340 PolarHBondContact O-N 3.33Å; D338-Y340 WeakPolarHBondContact OD1-CB 2.97Å; D338-Y340 PolarHBondContact OD1-N 2.95Å; D338-Y340 VanDerWaalsContact OD1-N 3.08Å; D338-L341 HydrophobicContact CB-CB 4.31Å; D338-L341 HydrophobicContact CB-CD1 4.17Å; D338-L341 HydrophobicContact CB-CG 4.34Å; D338-L341 PolarHBondContact O-N 3.22Å; D338-L341 WeakPolarHBondContact OD1-CG 3.33Å; D338-L341 PolarHBondContact OD1-N 3.23Å; D338-Q342 WeakPolarHBondContact O-CB 3.35Å; D338-Q342 VanDerWaalsContact O-CG 3.24Å; D338-Q342 WeakPolarHBondContact O-CG 3.27Å; D338-Q342 PolarHBondContact O-N 3.03Å; D338-Q342 VanDerWaalsContact O-N 3.1Å
339E92.2Very high93.4Very high81 Ų8148.4 Ų48.438%0.37929%0.291SS..Hα-helixtrans-60.5-42.3-175.1-67.6-169.9170.600112.9A298 L333 A337 M343A298-E339 HydrophobicContact CB-CB 3.8Å; A298-E339 HydrophobicContact CB-CG 3.86Å; L333-E339 HydrophobicContact CD2-CG 4.14Å; A337-E339 PolarHBondContact O-N 3.18Å; E339-M343 WeakPolarHBondContact O-CB 3.44Å; E339-M343 VanDerWaalsContact O-CG 3.23Å; E339-M343 WeakPolarHBondContact O-CG 3.46Å; E339-M343 PolarHBondContact O-N 2.73Å
340Y93.5Very high93.2Very high49 Ų4948.4 Ų48.419%0.19229%0.291CS..Hα-helixtrans-65.5-48.5-177.4169.7-100.8000111.3E285 V288 R289 D338 Q342 M343 L344E285-Y340 WeakPolarHBondContact CG-OH 3.28Å; E285-Y340 PolarHBondContact OE1-OH 2.68Å; V288-Y340 HydrophobicContact CG1-CD2 3.96Å; V288-Y340 HydrophobicContact CG1-CE2 4.24Å; R289-Y340 HydrophobicContact CB-CE2 4.05Å; R289-Y340 PolarHBondContact NH2-OH 2.62Å; D338-Y340 PolarHBondContact O-N 3.33Å; D338-Y340 WeakPolarHBondContact OD1-CB 2.97Å; D338-Y340 PolarHBondContact OD1-N 2.95Å; D338-Y340 VanDerWaalsContact OD1-N 3.08Å; Y340-Q342 PolarHBondContact O-N 3.33Å; Y340-M343 PolarHBondContact O-N 3.26Å; Y340-L344 HydrophobicContact CE1-CD2 4.33Å; Y340-L344 VanDerWaalsContact O-CB 3.29Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 3.36Å
341L93.6Very high93Very high104 Ų10449.8 Ų49.855%0.54529%0.292SS..Hα-helixtrans-64.9-40.5-180-67.1178.3000112.1D338 S345D338-L341 HydrophobicContact CB-CB 4.31Å; D338-L341 HydrophobicContact CB-CD1 4.17Å; D338-L341 HydrophobicContact CB-CG 4.34Å; D338-L341 PolarHBondContact O-N 3.22Å; D338-L341 WeakPolarHBondContact OD1-CG 3.33Å; D338-L341 PolarHBondContact OD1-N 3.23Å; L341-S345 WeakPolarHBondContact O-CB 3.36Å; L341-S345 PolarHBondContact O-N 2.64Å
342Q94.1Very high92.6Very high40 Ų4049 Ų4919%0.18729%0.29CS..Hα-helixtrans-66.7-43.5178.8-67.4-53.1-3800111.9V329 C332 L333 A337 D338 Y340 S345 L346V329-Q342 HydrophobicContact CG1-CB 4Å; C332-Q342 HydrophobicContact CB-CG 4.26Å; L333-Q342 HydrophobicContact CD2-CB 4.01Å; L333-Q342 HydrophobicContact CD2-CG 4.2Å; L333-Q342 HydrophobicContact CG-CB 4.41Å; A337-Q342 HydrophobicContact CB-CG 3.88Å; D338-Q342 WeakPolarHBondContact O-CB 3.35Å; D338-Q342 VanDerWaalsContact O-CG 3.24Å; D338-Q342 WeakPolarHBondContact O-CG 3.27Å; D338-Q342 PolarHBondContact O-N 3.03Å; D338-Q342 VanDerWaalsContact O-N 3.1Å; Y340-Q342 PolarHBondContact O-N 3.33Å; Q342-S345 PolarHBondContact O-N 2.66Å; Q342-L346 PolarHBondContact O-N 2.69Å
343M92.4Very high92.1Very high2 Ų248.8 Ų48.81%0.0129%0.286CS..Hα-helixtrans-67.1-40177.2-70-52.2-56.100112.4V288 A298 I301 L305 E339 Y340 S345 L346 C347V288-M343 HydrophobicContact CG1-CB 3.86Å; A298-M343 HydrophobicContact CB-CG 3.68Å; A298-M343 HydrophobicContact CB-SD 3.92Å; I301-M343 HydrophobicContact CB-CE 3.84Å; I301-M343 HydrophobicContact CB-SD 4.49Å; I301-M343 HydrophobicContact CG2-CE 3.43Å; I301-M343 VanDerWaalsContact CG2-CE 3.43Å; L305-M343 HydrophobicContact CD1-CE 3.96Å; E339-M343 WeakPolarHBondContact O-CB 3.44Å; E339-M343 VanDerWaalsContact O-CG 3.23Å; E339-M343 WeakPolarHBondContact O-CG 3.46Å; E339-M343 PolarHBondContact O-N 2.73Å; Y340-M343 PolarHBondContact O-N 3.26Å; M343-S345 VanDerWaalsContact C-N 3.34Å; M343-L346 HydrophobicContact CE-CD2 4.22Å; M343-L346 PolarHBondContact O-N 3.35Å; M343-C347 WeakPolarHBondContact O-CB 3.44Å; M343-C347 PolarHBondContact O-N 3.3Å; M343-C347 PolarHBondContact O-SG 3.42Å
344L93.2Very high91.4Very high21 Ų2148.5 Ų48.511%0.1129%0.286CS..Hα-helixtrans-62.9-42.1174.6-174.264.4000111.2F281 L284 Y340 C347 S348F281-L344 HydrophobicContact CE2-CD1 4.17Å; F281-L344 HydrophobicContact CZ-CD1 4.14Å; F281-L344 HydrophobicContact CZ-CD2 4.21Å; F281-L344 HydrophobicContact CZ-CG 4.35Å; L284-L344 HydrophobicContact CD2-CD1 4.34Å; L284-L344 HydrophobicContact CG-CD1 4.36Å; Y340-L344 HydrophobicContact CE1-CD2 4.33Å; Y340-L344 VanDerWaalsContact O-CB 3.29Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 3.36Å; L344-C347 PolarHBondContact O-N 2.84Å; L344-S348 WeakPolarHBondContact O-CB 3.35Å; L344-S348 PolarHBondContact O-N 2.82Å; L344-S348 PolarHBondContact O-OG 3.48Å
345S93.8Very high90.2Very high43 Ų4347.5 Ų47.530%0.30129%0.285SS..Hα-helixtrans-61.5-44.7176.1-171.60000111.8K325 L341 Q342 M343 S348 V349K325-S345 WeakPolarHBondContact CE-OG 3.24Å; K325-S345 PolarHBondContact NZ-OG 3.32Å; L341-S345 WeakPolarHBondContact O-CB 3.36Å; L341-S345 PolarHBondContact O-N 2.64Å; Q342-S345 PolarHBondContact O-N 2.66Å; M343-S345 VanDerWaalsContact C-N 3.34Å; S345-S348 PolarHBondContact O-N 2.9Å; S345-V349 PolarHBondContact O-N 3.03Å
346L93.4Very high88.5Confident0 Ų048.2 Ų48.20%028%0.284CS..Hα-helixtrans-60.4-52.5176.1175.359000111.6L302 L305 K325 M326 V329 Q342 M343 S348 V349 I350L302-L346 HydrophobicContact CD1-CD2 3.42Å; L302-L346 VanDerWaalsContact CD1-CD2 3.42Å; L305-L346 HydrophobicContact CD1-CD2 4.36Å; K325-L346 HydrophobicContact CB-CD1 4.36Å; K325-L346 HydrophobicContact CG-CD1 4.01Å; M326-L346 HydrophobicContact CB-CD1 4.4Å; M326-L346 HydrophobicContact CE-CD2 4.5Å; M326-L346 HydrophobicContact CG-CD1 3.43Å; M326-L346 VanDerWaalsContact CG-CD1 3.43Å; M326-L346 HydrophobicContact CG-CD2 4.07Å; M326-L346 HydrophobicContact CG-CG 4.39Å; V329-L346 HydrophobicContact CG2-CB 4.22Å; Q342-L346 PolarHBondContact O-N 2.69Å; M343-L346 HydrophobicContact CE-CD2 4.22Å; M343-L346 PolarHBondContact O-N 3.35Å; L346-S348 PolarHBondContact O-N 2.97Å; L346-V349 PolarHBondContact O-N 3.38Å; L346-V349 VanDerWaalsContact O-N 3.1Å; L346-I350 HydrophobicContact CD1-CD1 4.14Å; L346-I350 HydrophobicContact CD1-CG1 4.35Å; L346-I350 HydrophobicContact CG-CD1 3.99Å; L346-I350 WeakPolarHBondContact O-CG1 3.35Å; L346-I350 PolarHBondContact O-N 2.92Å
347C91.6Very high86.5Confident0 Ų051.5 Ų51.50%030%0.297CS..Hα-helixtrans-65.3-30.8-176.1-62.50000112.4L284 M343 L344 I350 M351L284-C347 HydrophobicContact CD1-CB 3.38Å; L284-C347 HydrophobicContact CD2-CB 3.64Å; L284-C347 HydrophobicContact CG-CB 3.96Å; M343-C347 WeakPolarHBondContact O-CB 3.44Å; M343-C347 PolarHBondContact O-N 3.3Å; M343-C347 PolarHBondContact O-SG 3.42Å; L344-C347 PolarHBondContact O-N 2.84Å; C347-I350 PolarHBondContact O-N 3.47Å; C347-M351 WeakPolarHBondContact O-CB 3.45Å; C347-M351 PolarHBondContact O-N 2.92Å
348S91.7Very high86.1Confident26 Ų2652.4 Ų52.418%0.18230%0.297CS..Hα-helixtrans-63.6-41.1173.8-58.80000112F281 L344 S345 L346 M351 Q352F281-S348 WeakPolarHBondContact CE2-OG 3.01Å; L344-S348 WeakPolarHBondContact O-CB 3.35Å; L344-S348 PolarHBondContact O-N 2.82Å; L344-S348 PolarHBondContact O-OG 3.48Å; S345-S348 PolarHBondContact O-N 2.9Å; L346-S348 PolarHBondContact O-N 2.97Å; S348-M351 PolarHBondContact O-N 3.3Å; S348-Q352 WeakPolarHBondContact O-CG 3.26Å; S348-Q352 PolarHBondContact O-N 3.42Å
349V91.3Very high85.7Confident31 Ų3150.3 Ų50.319%0.18829%0.287CS..Hα-helixtrans-67.6-42.1176.2173.20000110.7K325 S345 L346 M351 Q352 Q353K325-V349 HydrophobicContact CB-CB 4.5Å; K325-V349 HydrophobicContact CB-CG1 4.11Å; K325-V349 HydrophobicContact CD-CG2 4.09Å; K325-V349 HydrophobicContact CG-CB 4.03Å; K325-V349 HydrophobicContact CG-CG1 4.19Å; K325-V349 HydrophobicContact CG-CG2 3.9Å; S345-V349 PolarHBondContact O-N 3.03Å; L346-V349 PolarHBondContact O-N 3.38Å; L346-V349 VanDerWaalsContact O-N 3.1Å; V349-M351 VanDerWaalsContact C-N 3.27Å; V349-M351 PolarHBondContact O-N 3.42Å; V349-Q352 PolarHBondContact O-N 2.93Å; V349-Q353 HydrophobicContact CG1-CG 4.38Å; V349-Q353 WeakPolarHBondContact O-CG 3.25Å; V349-Q353 PolarHBondContact O-N 3.16Å
350I90Very high85.3Confident0 Ų048.6 Ų48.60%028%0.282CS..Hα-helixtrans-57.8-43.7174.7-63170.4000110.3C276 I309 I322 L346 C347 Q353 A354C276-I350 HydrophobicContact CB-CB 4.4Å; C276-I350 HydrophobicContact CB-CG2 3.77Å; I309-I350 HydrophobicContact CD1-CD1 4.09Å; I322-I350 HydrophobicContact CD1-CG1 4.4Å; I322-I350 HydrophobicContact CD1-CG2 4.42Å; I322-I350 HydrophobicContact CG1-CG1 4.19Å; I322-I350 HydrophobicContact CG2-CD1 4.27Å; I322-I350 HydrophobicContact CG2-CG1 3.79Å; L346-I350 HydrophobicContact CD1-CD1 4.14Å; L346-I350 HydrophobicContact CD1-CG1 4.35Å; L346-I350 HydrophobicContact CG-CD1 3.99Å; L346-I350 WeakPolarHBondContact O-CG1 3.35Å; L346-I350 PolarHBondContact O-N 2.92Å; C347-I350 PolarHBondContact O-N 3.47Å; I350-Q353 PolarHBondContact O-N 3.42Å; I350-A354 WeakPolarHBondContact O-CB 3.37Å; I350-A354 PolarHBondContact O-N 3.18Å
351M89.7Confident84.8Confident53 Ų5348.6 Ų48.626%0.26129%0.288SS..Hα-helixtrans-65.4-39.3178.4-177.2176.6175.200112.9C276 G279 C347 S348 V349 A354 G355C276-M351 VanDerWaalsContact O-CA 3.29Å; C276-M351 WeakPolarHBondContact O-CA 3.28Å; C276-M351 WeakPolarHBondContact O-CB 3.38Å; C276-M351 WeakPolarHBondContact O-CG 3.46Å; G279-M351 WeakPolarHBondContact O-CE 3.36Å; C347-M351 WeakPolarHBondContact O-CB 3.45Å; C347-M351 PolarHBondContact O-N 2.92Å; S348-M351 PolarHBondContact O-N 3.3Å; V349-M351 VanDerWaalsContact C-N 3.27Å; V349-M351 PolarHBondContact O-N 3.42Å; M351-A354 PolarHBondContact O-N 2.86Å; M351-G355 PolarHBondContact O-N 3.5Å; M351-G355 VanDerWaalsContact O-N 3.12Å
352Q88.4Confident84.3Confident121 Ų12145.1 Ų45.157%0.56527%0.271SS*.Hα-helixtrans-64.1-44.5175.1-74.9174.6-800112S348 V349 A354 G355 Q356S348-Q352 WeakPolarHBondContact O-CG 3.26Å; S348-Q352 PolarHBondContact O-N 3.42Å; V349-Q352 PolarHBondContact O-N 2.93Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-G355 PolarHBondContact O-N 3.14Å; Q352-Q356 WeakPolarHBondContact O-CG 3.34Å; Q352-Q356 PolarHBondContact O-N 3.5Å
353Q84.6Confident83.6Confident32 Ų3245.5 Ų45.515%0.1528%0.277CS..Hα-helixtrans-66.7-37.4178.4-67.9-58.8-40.200111.8Q318 A321 I322 V349 I350 G355 Q356Q318-Q353 HydrophobicContact CG-CB 4.42Å; Q318-Q353 PolarHBondContact NE2-O 3.47Å; Q318-Q353 VanDerWaalsContact NE2-O 3.1Å; A321-Q353 HydrophobicContact CB-CG 4.2Å; I322-Q353 HydrophobicContact CD1-CB 4.33Å; I322-Q353 HydrophobicContact CG1-CB 4.29Å; I322-Q353 HydrophobicContact CG1-CG 4.24Å; V349-Q353 HydrophobicContact CG1-CG 4.38Å; V349-Q353 WeakPolarHBondContact O-CG 3.25Å; V349-Q353 PolarHBondContact O-N 3.16Å; I350-Q353 PolarHBondContact O-N 3.42Å; Q353-G355 VanDerWaalsContact C-N 3.34Å; Q353-G355 PolarHBondContact O-N 2.87Å; Q353-Q356 PolarHBondContact O-N 3.38Å
354A77.6Confident83Confident14 Ų1448.6 Ų48.612%0.11630%0.296CS..Hα-helixtrans-61.3-40.4174.200000112.8F277 I350 M351 Q352 Q356 S357F277-A354 HydrophobicContact CB-CB 4.43Å; F277-A354 HydrophobicContact CD1-CB 3.3Å; F277-A354 HydrophobicContact CE1-CB 3.69Å; F277-A354 HydrophobicContact CG-CB 4.11Å; I350-A354 WeakPolarHBondContact O-CB 3.37Å; I350-A354 PolarHBondContact O-N 3.18Å; M351-A354 PolarHBondContact O-N 2.86Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; A354-Q356 VanDerWaalsContact C-N 3.28Å; A354-Q356 PolarHBondContact O-N 2.99Å; A354-S357 PolarHBondContact O-N 2.99Å; A354-S357 PolarHBondContact O-OG 3.28Å; A354-S357 VanDerWaalsContact O-OG 3.07Å
355G67.1Low82.2Confident67 Ų6750.7 Ų50.769%0.69131%0.311SS*.THydrogen-bonded Turntrans-77.1-7-179.400000115.3M351 Q352 Q353 S357M351-G355 PolarHBondContact O-N 3.5Å; M351-G355 VanDerWaalsContact O-N 3.12Å; Q352-G355 PolarHBondContact O-N 3.14Å; Q353-G355 VanDerWaalsContact C-N 3.34Å; Q353-G355 PolarHBondContact O-N 2.87Å; G355-S357 VanDerWaalsContact C-N 3.35Å
356Q59.4Low81.2Confident137 Ų13751.3 Ų51.364%0.6431%0.311SS*.THydrogen-bonded Turntrans-90.2-0.9174.9-71.5175.54.200113Q352 Q353 A354Q352-Q356 WeakPolarHBondContact O-CG 3.34Å; Q352-Q356 PolarHBondContact O-N 3.5Å; Q353-Q356 PolarHBondContact O-N 3.38Å; A354-Q356 VanDerWaalsContact C-N 3.28Å; A354-Q356 PolarHBondContact O-N 2.99Å
357S50.1Low80.1Confident135 Ų13556 Ų5694%0.94434%0.34SS*.  trans-81.10177.3-45.40000113.2Q318 A354 G355Q318-S357 PolarHBondContact NE2-OG 3.42Å; A354-S357 PolarHBondContact O-N 2.99Å; A354-S357 PolarHBondContact O-OG 3.28Å; A354-S357 VanDerWaalsContact O-OG 3.07Å; G355-S357 VanDerWaalsContact C-N 3.35Å

Retrieved 357 of 357 residues in 349.6 ms (Link to these results)