G4V882_SCHMA Loading...

Putative rrm/rnp domain

May be involved in the turnover of nuclear polyadenylated (pA+) RNA.

AlphaFold DB , UniProt , Accession G4V882, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,158 aa.

						>G4V882_SCHMA|G4V882
MQVDYKQLEVWLHGKLKPLCVADPIPLSQYVIALIKKDKGEQELREICIDQLEVFLQENTAKFVEDLFAVLKSRTYVACETLKPNQSSSDNSCSKDSSGKNPCGNTSFDNVSKDRKRHLTNNNTNASNVTDTCAPKQKRKRSPETKAKKISSDSRSRSPHSPGRPINNASTTSRQHGKELESHVDSCSRGRHNNHSEESSLKTVDGHIRRNSSGSSNEEVTHSNTISSRRNKYHDSESHKYNNRERIHSRDKDEHSNRSCKSFAKSVTDYRVVDEKCRGVRSRRCRDFEERGFCVYGDRCQYDHGPNALVISSAKSAVSAIAHLTNPLLDTNTLSSNTGDLPMNIGKEASKSSTLQPQSFVAAVLSGPTDLNDLNQHIGTPLIPVYHPTPINHPDNQMLMTCCIDQSLDTGLFPQVPNPSVLYNKSNWKHPRLQNNVQPRPNNFRVFNNANTISRNIVPLPMIQNTTNKDQSEINPAPPAYEPDRPHLSMISTSESNILPSCDTSDVEHNASTPPLSYKPSPITEQISSYAVVPKASGVTDLSLDTTSRTIDPRTTLYIDRLPWKLNDADKIREHFSQFGHVINVIARYKGMVGSAVVEFSSSDEAEKAYRSPIPMFSNRFIRIYTRFPENFKHNARSMTSRFPRPKSILDRLGTRPVAGNNKINSYSWMSMTNDCIESQQVPGSIHSDHTLQRGNRSRWRLERNPTSGDALLSGDEDDDLIDENPTIDGHERNSATFIKERNKAFNQRMDKVVDNYVDLNVDQESLLFARNTDTARQFNNNSNNITVTSSPYTLSHKQEAEAILWERRKMAALRQRKEQLMLLDKSREARESVIEARKQRITKLKLLLERVMSQLENNRTSETDNGTDSKPLTLDERRKLLTEAKRLQIELESTLEAEKKDLDIRSSNRESNSKKIFTSKPLGSTTISAAALQALPSPIRLERQKQISEIQIEIDKLEANLREATHDDVKLKEGRRRIVELKRQLVDLETVRPSDMFLSQNTSGCAPGDNAAYPNRTQTKLDKRPRTLYITGIESDDVENFQNALSLNYLHTQSCTKQTNPETNQLVLEVTFCTRDFAEAAIRQFTQFHGRDLQMSFVYPALSETKAGNFIDNDAKHVSSTQIETSDQLQAITSSESLDYSAHSSSTSSTALNTMSL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	56.5	Low	77.4	Confident	161 Å²	161	84 Å²	84	79%	0.793	40%	0.402	S	S	*	.				0	151.5	0	-67.4	175.3	178.8	0	0	109.2	V3	M1-V3 HydrophobicContact CB-CG2 3.9Å; M1-V3 PolarHBondContact O-N 3.17Å
2	Q	57.6	Low	78.2	Confident	167 Å²	167	77 Å²	77	78%	0.78	37%	0.369	S	S	*	.			trans	-77.9	107.5	164.9	-80.6	-179.9	-13.7	0	0	109.2	R74	Q2-R74 PolarHBondContact O-NH2 3.18Å
3	V	69.5	Low	78.8	Confident	22 Å²	22	74.9 Å²	74.9	13%	0.133	36%	0.358	C	S	.	.			trans	-120.6	134.5	-178.2	178.9	0	0	0	0	108.3	M1 Y5 L8 L71	M1-V3 HydrophobicContact CB-CG2 3.9Å; M1-V3 PolarHBondContact O-N 3.17Å; V3-Y5 HydrophobicContact CB-CE1 4.48Å; V3-Y5 HydrophobicContact CG1-CD1 4.45Å; V3-Y5 HydrophobicContact CG1-CE1 4.46Å; V3-Y5 PolarHBondContact O-N 3.17Å; V3-L8 HydrophobicContact CG1-CD2 3.74Å; V3-L71 HydrophobicContact CG1-CD2 4.02Å; V3-L71 HydrophobicContact CG2-CD2 4.08Å
4	D	79.3	Confident	79.2	Confident	92 Å²	92	73.3 Å²	73.3	49%	0.492	37%	0.371	S	S	.	.			trans	-94.6	99	177.6	-159.8	-29	0	0	0	109.9	K6 Q7 L8 Y76	D4-K6 PolarHBondContact O-N 3.44Å; D4-Q7 PolarHBondContact O-N 2.83Å; D4-L8 WeakPolarHBondContact O-CB 3.41Å; D4-L8 PolarHBondContact O-N 3.35Å; D4-L8 VanDerWaalsContact O-N 3.14Å; D4-Y76 HydrophobicContact CB-CE2 4.26Å; D4-Y76 PolarHBondContact N-OH 3.4Å
5	Y	82.5	Confident	79.5	Confident	90 Å²	90	73.7 Å²	73.7	35%	0.353	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-28.9	-167.7	-61.2	-71.8	0	0	0	113.7	V3 E9 I32 K36	V3-Y5 HydrophobicContact CB-CE1 4.48Å; V3-Y5 HydrophobicContact CG1-CD1 4.45Å; V3-Y5 HydrophobicContact CG1-CE1 4.46Å; V3-Y5 PolarHBondContact O-N 3.17Å; Y5-E9 WeakPolarHBondContact O-CB 3.5Å; Y5-E9 PolarHBondContact O-N 2.83Å; Y5-I32 HydrophobicContact CD1-CG2 3.7Å; Y5-I32 HydrophobicContact CE1-CG2 4.25Å; Y5-I32 HydrophobicContact CG-CG2 4.49Å; Y5-K36 HydrophobicContact CE1-CD 4.25Å; Y5-K36 HydrophobicContact CE1-CG 3.91Å; Y5-K36 VanDerWaalsContact CZ-CE 3.45Å
6	K	81	Confident	79.9	Confident	158 Å²	158	69.1 Å²	69.1	69%	0.687	35%	0.346	S	S	*	.	H	α-helix	trans	-72	-49.8	-178	-66.6	179.4	180	177	0	111.8	D4 L8 E9 V10	D4-K6 PolarHBondContact O-N 3.44Å; K6-L8 VanDerWaalsContact C-N 3.28Å; K6-L8 PolarHBondContact O-N 2.96Å; K6-E9 PolarHBondContact O-N 3.37Å; K6-V10 PolarHBondContact O-N 3.49Å
7	Q	81.4	Confident	80.1	Confident	52 Å²	52	74.7 Å²	74.7	24%	0.243	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-34.1	178.5	-126	69.2	-3.6	0	0	110.8	D4 W11 Y76 E80	D4-Q7 PolarHBondContact O-N 2.83Å; Q7-W11 PolarHBondContact O-N 2.94Å; Q7-W11 VanDerWaalsContact O-N 3.14Å; Q7-Y76 HydrophobicContact CB-CD2 4.15Å; Q7-E80 PolarHBondContact NE2-OE1 3.13Å
8	L	85.4	Confident	80.2	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-40.6	171.8	-176.4	63.7	0	0	0	112.9	V3 D4 K6 V10 W11 L12 I32 I35 L71 Y76	V3-L8 HydrophobicContact CG1-CD2 3.74Å; D4-L8 WeakPolarHBondContact O-CB 3.41Å; D4-L8 PolarHBondContact O-N 3.35Å; D4-L8 VanDerWaalsContact O-N 3.14Å; K6-L8 VanDerWaalsContact C-N 3.28Å; K6-L8 PolarHBondContact O-N 2.96Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 3.08Å; L8-W11 HydrophobicContact CD1-CE3 4.09Å; L8-W11 PolarHBondContact O-N 3Å; L8-L12 HydrophobicContact CD1-CD1 4.45Å; L8-L12 HydrophobicContact CD1-CG 4.38Å; L8-L12 HydrophobicContact CG-CD1 3.97Å; L8-L12 HydrophobicContact CG-CG 4.37Å; L8-L12 WeakPolarHBondContact O-CB 3.1Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 3.03Å; L8-I32 HydrophobicContact CD2-CG1 4.34Å; L8-I35 HydrophobicContact CD2-CD1 4.09Å; L8-L71 HydrophobicContact CD2-CD2 4.14Å; L8-Y76 HydrophobicContact CB-CD2 4.26Å; L8-Y76 HydrophobicContact CD1-CD1 4.41Å; L8-Y76 HydrophobicContact CD1-CG 4.3Å
9	E	86	Confident	80	Confident	52 Å²	52	75.6 Å²	75.6	24%	0.243	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-41.4	176.9	-171.6	173.2	-167.3	0	0	111.5	Y5 K6 L12 H13 Q29 I32	Y5-E9 WeakPolarHBondContact O-CB 3.5Å; Y5-E9 PolarHBondContact O-N 2.83Å; K6-E9 PolarHBondContact O-N 3.37Å; E9-L12 PolarHBondContact O-N 3.26Å; E9-H13 PolarHBondContact O-N 2.95Å; E9-H13 PolarHBondContact O-ND1 2.86Å; E9-Q29 WeakPolarHBondContact OE1-CG 3.24Å; E9-Q29 PolarHBondContact OE1-NE2 3.22Å; E9-I32 HydrophobicContact CB-CD1 3.85Å; E9-I32 HydrophobicContact CG-CD1 4.29Å
10	V	84.5	Confident	79.8	Confident	92 Å²	92	72.7 Å²	72.7	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-45.1	174.6	177.1	0	0	0	0	112	K6 L8 H13 G14	K6-V10 PolarHBondContact O-N 3.49Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 3.08Å; V10-H13 PolarHBondContact O-N 3.17Å; V10-G14 PolarHBondContact O-N 2.99Å
11	W	87.3	Confident	79.5	Confident	38 Å²	38	76.9 Å²	76.9	14%	0.144	40%	0.397	C	S	.	.	H	α-helix	trans	-62.6	-43	176.6	179.4	88.2	0	0	0	112.1	Q7 L8 H13 G14 K15 L67 V70	Q7-W11 PolarHBondContact O-N 2.94Å; Q7-W11 VanDerWaalsContact O-N 3.14Å; L8-W11 HydrophobicContact CD1-CE3 4.09Å; L8-W11 PolarHBondContact O-N 3Å; W11-H13 PolarHBondContact O-N 3.12Å; W11-G14 PolarHBondContact O-N 2.76Å; W11-G14 VanDerWaalsContact O-N 3.17Å; W11-K15 HydrophobicContact CD2-CG 4.4Å; W11-K15 HydrophobicContact CH2-CG 4.09Å; W11-K15 HydrophobicContact CZ2-CD 4.16Å; W11-K15 HydrophobicContact CZ2-CG 3.66Å; W11-K15 PolarHBondContact O-N 2.95Å; W11-L67 HydrophobicContact CZ3-CD1 4Å; W11-V70 HydrophobicContact CD2-CG1 4.12Å; W11-V70 HydrophobicContact CE3-CG1 4.35Å; W11-V70 HydrophobicContact CH2-CB 4.17Å; W11-V70 HydrophobicContact CH2-CG1 4.22Å; W11-V70 HydrophobicContact CH2-CG2 4.09Å; W11-V70 HydrophobicContact CZ2-CB 4.05Å; W11-V70 HydrophobicContact CZ2-CG1 3.98Å; W11-V70 HydrophobicContact CZ2-CG2 3.57Å; W11-V70 HydrophobicContact CZ3-CG1 4.39Å
12	L	87.7	Confident	80.2	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-42.8	174.8	-75.3	167.7	0	0	0	111.6	L8 E9 G14 K15 L16 V31 I32 F63 L67	L8-L12 HydrophobicContact CD1-CD1 4.45Å; L8-L12 HydrophobicContact CD1-CG 4.38Å; L8-L12 HydrophobicContact CG-CD1 3.97Å; L8-L12 HydrophobicContact CG-CG 4.37Å; L8-L12 WeakPolarHBondContact O-CB 3.1Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 3.03Å; E9-L12 PolarHBondContact O-N 3.26Å; L12-G14 VanDerWaalsContact C-N 3.29Å; L12-G14 PolarHBondContact O-N 3.25Å; L12-K15 PolarHBondContact O-N 2.87Å; L12-L16 HydrophobicContact CB-CD1 4.25Å; L12-L16 HydrophobicContact CD2-CD1 4.49Å; L12-L16 VanDerWaalsContact O-CB 3.24Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 VanDerWaalsContact O-CG 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 2.91Å; L12-V31 HydrophobicContact CD1-CB 4.25Å; L12-V31 HydrophobicContact CD1-CG1 4.05Å; L12-V31 HydrophobicContact CD2-CB 4.45Å; L12-V31 HydrophobicContact CD2-CG1 3.96Å; L12-I32 HydrophobicContact CD1-CD1 4.19Å; L12-I32 HydrophobicContact CD1-CG1 3.99Å; L12-F63 HydrophobicContact CD2-CE2 4.42Å; L12-F63 HydrophobicContact CD2-CZ 3.74Å; L12-L67 HydrophobicContact CD2-CD1 4.27Å
13	H	86.1	Confident	81.3	Confident	50 Å²	50	67 Å²	67	23%	0.231	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-38.6	175.2	-66.1	156.4	0	0	0	112.8	E9 V10 W11 K17 I25 S28	E9-H13 PolarHBondContact O-N 2.95Å; E9-H13 PolarHBondContact O-ND1 2.86Å; V10-H13 PolarHBondContact O-N 3.17Å; W11-H13 PolarHBondContact O-N 3.12Å; H13-K17 WeakPolarHBondContact O-CB 3.46Å; H13-K17 PolarHBondContact O-N 2.93Å; H13-I25 WeakPolarHBondContact NE2-CA 3.4Å; H13-S28 PolarHBondContact CD2-OG 2.64Å; H13-S28 VanDerWaalsContact CD2-OG 3.31Å; H13-S28 PolarHBondContact NE2-OG 2.81Å
14	G	84	Confident	82.1	Confident	52 Å²	52	67.6 Å²	67.6	54%	0.536	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-47.7	175.7	0	0	0	0	0	113.1	V10 W11 L12 P18	V10-G14 PolarHBondContact O-N 2.99Å; W11-G14 PolarHBondContact O-N 2.76Å; W11-G14 VanDerWaalsContact O-N 3.17Å; L12-G14 VanDerWaalsContact C-N 3.29Å; L12-G14 PolarHBondContact O-N 3.25Å; G14-P18 WeakPolarHBondContact O-CD 3.22Å
15	K	84.2	Confident	82.3	Confident	79 Å²	79	67.5 Å²	67.5	34%	0.343	36%	0.363	S	S	.	.	H	α-helix	trans	-76.6	-32.3	-177	-82.8	-87.8	-173.1	166.6	0	114.5	W11 L12 P18 L19 F63 D66	W11-K15 HydrophobicContact CD2-CG 4.4Å; W11-K15 HydrophobicContact CH2-CG 4.09Å; W11-K15 HydrophobicContact CZ2-CD 4.16Å; W11-K15 HydrophobicContact CZ2-CG 3.66Å; W11-K15 PolarHBondContact O-N 2.95Å; L12-K15 PolarHBondContact O-N 2.87Å; K15-P18 WeakPolarHBondContact O-CD 3.23Å; K15-L19 WeakPolarHBondContact O-CD1 3.32Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-F63 HydrophobicContact CB-CE2 4.39Å; K15-D66 IonicContact NZ-OD2 2.83Å; K15-D66 PolarHBondContact NZ-OD2 3.19Å
16	L	85.4	Confident	82.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-79.2	-30.4	-179.6	-68.6	171.6	0	0	0	113.1	L12 L19 C20 P24 L27 L56 F63	L12-L16 HydrophobicContact CB-CD1 4.25Å; L12-L16 HydrophobicContact CD2-CD1 4.49Å; L12-L16 VanDerWaalsContact O-CB 3.24Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 VanDerWaalsContact O-CG 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 3.05Å; L16-C20 WeakPolarHBondContact O-CB 3.42Å; L16-C20 PolarHBondContact O-N 3.48Å; L16-P24 HydrophobicContact CB-CB 3.87Å; L16-L27 HydrophobicContact CD1-CB 4.15Å; L16-L27 HydrophobicContact CD1-CD2 4.15Å; L16-L27 HydrophobicContact CD1-CG 3.93Å; L16-L27 HydrophobicContact CD2-CD2 3.9Å; L16-L27 HydrophobicContact CD2-CG 4.38Å; L16-L56 HydrophobicContact CD2-CD1 4.19Å; L16-L56 HydrophobicContact CD2-CD2 4.12Å; L16-F63 HydrophobicContact CD2-CD2 4.36Å; L16-F63 HydrophobicContact CD2-CE1 4.31Å; L16-F63 HydrophobicContact CD2-CE2 3.66Å; L16-F63 HydrophobicContact CD2-CZ 3.63Å; L16-F63 HydrophobicContact CG-CE2 4.21Å; L16-F63 HydrophobicContact CG-CZ 4.23Å
17	K	82.6	Confident	82.8	Confident	165 Å²	165	59.2 Å²	59.2	72%	0.717	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.8	-178.2	-178.6	177.9	179.8	-176.9	0	115.4	H13	H13-K17 WeakPolarHBondContact O-CB 3.46Å; H13-K17 PolarHBondContact O-N 2.93Å
18	P	82	Confident	83.1	Confident	106 Å²	106	56.8 Å²	56.8	69%	0.688	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.5	174.1	33.1	-36.3	0	0	0	114.6	G14 K15	G14-P18 WeakPolarHBondContact O-CD 3.22Å; K15-P18 WeakPolarHBondContact O-CD 3.23Å
19	L	76.3	Confident	83.3	Confident	61 Å²	61	61.7 Å²	61.7	32%	0.319	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-19.9	-173.5	-63.8	179.6	0	0	0	114	K15 L16 L56 N59 F63	K15-L19 WeakPolarHBondContact O-CD1 3.32Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; L16-L19 PolarHBondContact O-N 3.05Å; L19-L56 HydrophobicContact CB-CD2 3.78Å; L19-N59 HydrophobicContact CD2-CB 4.39Å; L19-F63 HydrophobicContact CD1-CD2 4.09Å
20	C	76.6	Confident	83.4	Confident	17 Å²	17	62.5 Å²	62.5	12%	0.115	35%	0.349	C	S	.	.			trans	-119	139.1	-172.3	-168	0	0	0	0	112.3	L16 A22 L27 L56	L16-C20 WeakPolarHBondContact O-CB 3.42Å; L16-C20 PolarHBondContact O-N 3.48Å; C20-A22 PolarHBondContact SG-N 2.97Å; C20-L27 HydrophobicContact CB-CD2 4.13Å; C20-L27 VanDerWaalsContact SG-CD2 3.54Å; C20-L56 HydrophobicContact CB-CD2 4.13Å
21	V	73.1	Confident	83.6	Confident	160 Å²	160	58.1 Å²	58.1	97%	0.97	32%	0.323	S	S	*	.	S	Bend	trans	-85.4	-18.5	173.5	-174.9	0	0	0	0	111.7
22	A	72.3	Confident	83.6	Confident	50 Å²	50	56.9 Å²	56.9	41%	0.413	32%	0.319	S	S	.	.	S	Bend	trans	-89.6	168.6	173.1	0	0	0	0	0	111.8	C20	C20-A22 PolarHBondContact SG-N 2.97Å
23	D	81	Confident	83.6	Confident	70 Å²	70	59.2 Å²	59.2	37%	0.374	34%	0.338	S	S	.	.			trans	-58.9	131.9	179.2	-64.1	-100.9	0	0	0	112.6	I25 P26 K315	D23-I25 VanDerWaalsContact C-N 3.28Å; D23-I25 PolarHBondContact O-N 2.9Å; D23-P26 VanDerWaalsContact CB-CD 3.44Å; D23-P26 HydrophobicContact CB-CG 4.01Å; D23-P26 WeakPolarHBondContact O-CD 3.46Å; D23-K315 IonicContact OD1-NZ 3.28Å; D23-K315 PolarHBondContact OD1-NZ 3.33Å; D23-K315 VanDerWaalsContact OD2-CD 3.31Å; D23-K315 WeakPolarHBondContact OD2-CD 3.49Å; D23-K315 WeakPolarHBondContact OD2-CE 3.28Å; D23-K315 IonicContact OD2-NZ 2.95Å; D23-K315 PolarHBondContact OD2-NZ 3.03Å
24	P	84.5	Confident	83.6	Confident	35 Å²	35	56.8 Å²	56.8	23%	0.227	33%	0.327	C	S	.	.	H	α-helix	trans	-72.9	-18	179.1	28.6	-34.8	0	0	0	113.5	L16 S28	L16-P24 HydrophobicContact CB-CB 3.87Å; P24-S28 WeakPolarHBondContact O-CB 3.49Å; P24-S28 PolarHBondContact O-N 2.9Å; P24-S28 PolarHBondContact O-OG 3.4Å
25	I	83.5	Confident	83.7	Confident	90 Å²	90	55.9 Å²	55.9	46%	0.462	31%	0.309	S	S	.	.	H	α-helix	trans	-78.8	-47.1	-174.1	-52.1	171.7	0	0	0	113	H13 D23 L27 S28 Q29	H13-I25 WeakPolarHBondContact NE2-CA 3.4Å; D23-I25 VanDerWaalsContact C-N 3.28Å; D23-I25 PolarHBondContact O-N 2.9Å; I25-L27 PolarHBondContact O-N 2.9Å; I25-S28 PolarHBondContact O-OG 2.79Å; I25-Q29 WeakPolarHBondContact O-CG 3.4Å; I25-Q29 PolarHBondContact O-N 2.9Å
26	P	88.1	Confident	83.6	Confident	69 Å²	69	57.5 Å²	57.5	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-32.5	169.5	-20.9	34.4	0	0	0	112.2	D23 Y30	D23-P26 VanDerWaalsContact CB-CD 3.44Å; D23-P26 HydrophobicContact CB-CG 4.01Å; D23-P26 WeakPolarHBondContact O-CD 3.46Å; P26-Y30 WeakPolarHBondContact O-CB 3.47Å; P26-Y30 PolarHBondContact O-N 2.67Å
27	L	86.6	Confident	83.4	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-74.8	-38.6	-177.6	-172.9	58.1	0	0	0	112.6	L16 C20 I25 Q29 Y30 V31 L52 F55	L16-L27 HydrophobicContact CD1-CB 4.15Å; L16-L27 HydrophobicContact CD1-CD2 4.15Å; L16-L27 HydrophobicContact CD1-CG 3.93Å; L16-L27 HydrophobicContact CD2-CD2 3.9Å; L16-L27 HydrophobicContact CD2-CG 4.38Å; C20-L27 HydrophobicContact CB-CD2 4.13Å; C20-L27 VanDerWaalsContact SG-CD2 3.54Å; I25-L27 PolarHBondContact O-N 2.9Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; L27-Y30 HydrophobicContact CD1-CD1 4.46Å; L27-Y30 PolarHBondContact O-N 3.1Å; L27-V31 WeakPolarHBondContact O-CG2 3.45Å; L27-V31 PolarHBondContact O-N 2.93Å; L27-L52 HydrophobicContact CD1-CD2 3.93Å; L27-F55 HydrophobicContact CD1-CB 4.11Å; L27-F55 HydrophobicContact CD1-CD1 4.17Å; L27-F55 HydrophobicContact CD1-CD2 3.78Å; L27-F55 HydrophobicContact CD1-CE2 4.2Å; L27-F55 HydrophobicContact CD1-CG 3.76Å; L27-F55 HydrophobicContact CD2-CB 4.01Å; L27-F55 HydrophobicContact CD2-CG 4.38Å
28	S	88.7	Confident	83	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-43.5	172.4	62.2	0	0	0	0	111.3	H13 P24 I25 Y30 V31 I32	H13-S28 PolarHBondContact CD2-OG 2.64Å; H13-S28 VanDerWaalsContact CD2-OG 3.31Å; H13-S28 PolarHBondContact NE2-OG 2.81Å; P24-S28 WeakPolarHBondContact O-CB 3.49Å; P24-S28 PolarHBondContact O-N 2.9Å; P24-S28 PolarHBondContact O-OG 3.4Å; I25-S28 PolarHBondContact O-OG 2.79Å; S28-Y30 VanDerWaalsContact C-N 3.31Å; S28-Y30 PolarHBondContact O-N 2.9Å; S28-V31 PolarHBondContact O-N 3.32Å; S28-I32 WeakPolarHBondContact O-CB 3.45Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 2.79Å
29	Q	88.2	Confident	82.9	Confident	104 Å²	104	62.1 Å²	62.1	49%	0.486	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-34.9	175.9	-68	177.4	2.5	0	0	112	E9 I25 L27 A33	E9-Q29 WeakPolarHBondContact OE1-CG 3.24Å; E9-Q29 PolarHBondContact OE1-NE2 3.22Å; I25-Q29 WeakPolarHBondContact O-CG 3.4Å; I25-Q29 PolarHBondContact O-N 2.9Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-A33 WeakPolarHBondContact O-CB 3.45Å; Q29-A33 PolarHBondContact O-N 3.03Å
30	Y	88.8	Confident	83.1	Confident	69 Å²	69	60.9 Å²	60.9	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-45	173.1	-173.2	-113.5	0	0	0	112.7	P26 L27 S28 I32 A33 L34 Q51 L52 F55	P26-Y30 WeakPolarHBondContact O-CB 3.47Å; P26-Y30 PolarHBondContact O-N 2.67Å; L27-Y30 HydrophobicContact CD1-CD1 4.46Å; L27-Y30 PolarHBondContact O-N 3.1Å; S28-Y30 VanDerWaalsContact C-N 3.31Å; S28-Y30 PolarHBondContact O-N 2.9Å; Y30-I32 VanDerWaalsContact C-N 3.3Å; Y30-I32 PolarHBondContact O-N 3.48Å; Y30-A33 CarbonylContact O-C 3.53Å; Y30-A33 WeakPolarHBondContact O-CA 3.23Å; Y30-A33 WeakPolarHBondContact O-CB 3.22Å; Y30-A33 PolarHBondContact O-N 3.36Å; Y30-L34 HydrophobicContact CD1-CD1 4.26Å; Y30-L34 HydrophobicContact CE1-CD1 3.78Å; Y30-L34 HydrophobicContact CE1-CD2 4.34Å; Y30-L34 HydrophobicContact CE1-CG 4.09Å; Y30-L34 HydrophobicContact CE2-CD2 4.48Å; Y30-L34 PolarHBondContact O-N 2.81Å; Y30-Q51 HydrophobicContact CE1-CB 4.07Å; Y30-Q51 PolarHBondContact OH-OE1 3.22Å; Y30-L52 HydrophobicContact CD1-CD2 4.2Å; Y30-L52 HydrophobicContact CE1-CD2 4.42Å; Y30-F55 HydrophobicContact CD1-CE2 4.43Å; Y30-F55 HydrophobicContact CE1-CE2 4.45Å
31	V	88	Confident	83.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-42.8	173.1	170.8	0	0	0	0	110.9	L12 L27 S28 A33 L34 I35 L52 F63 L67	L12-V31 HydrophobicContact CD1-CB 4.25Å; L12-V31 HydrophobicContact CD1-CG1 4.05Å; L12-V31 HydrophobicContact CD2-CB 4.45Å; L12-V31 HydrophobicContact CD2-CG1 3.96Å; L27-V31 WeakPolarHBondContact O-CG2 3.45Å; L27-V31 PolarHBondContact O-N 2.93Å; S28-V31 PolarHBondContact O-N 3.32Å; V31-A33 VanDerWaalsContact C-N 3.3Å; V31-A33 PolarHBondContact O-N 3.28Å; V31-L34 PolarHBondContact O-N 3.05Å; V31-L34 VanDerWaalsContact O-N 3.16Å; V31-I35 HydrophobicContact CG1-CD1 3.79Å; V31-I35 WeakPolarHBondContact O-CG1 3.11Å; V31-I35 PolarHBondContact O-N 2.62Å; V31-L52 HydrophobicContact CG2-CD1 4.02Å; V31-L52 HydrophobicContact CG2-CD2 3.8Å; V31-F63 HydrophobicContact CG2-CE1 4.39Å; V31-L67 HydrophobicContact CG1-CD1 4.37Å; V31-L67 HydrophobicContact CG1-CD2 3.73Å
32	I	88.1	Confident	83.6	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.062	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-36.2	173.6	-72.1	165.2	0	0	0	111.7	Y5 L8 E9 L12 S28 Y30 K36	Y5-I32 HydrophobicContact CD1-CG2 3.7Å; Y5-I32 HydrophobicContact CE1-CG2 4.25Å; Y5-I32 HydrophobicContact CG-CG2 4.49Å; L8-I32 HydrophobicContact CD2-CG1 4.34Å; E9-I32 HydrophobicContact CB-CD1 3.85Å; E9-I32 HydrophobicContact CG-CD1 4.29Å; L12-I32 HydrophobicContact CD1-CD1 4.19Å; L12-I32 HydrophobicContact CD1-CG1 3.99Å; S28-I32 WeakPolarHBondContact O-CB 3.45Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 2.79Å; Y30-I32 VanDerWaalsContact C-N 3.3Å; Y30-I32 PolarHBondContact O-N 3.48Å; I32-K36 HydrophobicContact CG2-CD 4.12Å; I32-K36 WeakPolarHBondContact O-CB 3.36Å; I32-K36 VanDerWaalsContact O-CG 3.24Å; I32-K36 WeakPolarHBondContact O-CG 3.31Å; I32-K36 PolarHBondContact O-N 3.24Å; I32-K36 VanDerWaalsContact O-N 3.15Å
33	A	87.8	Confident	84.2	Confident	48 Å²	48	64.3 Å²	64.3	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-73	-24.9	175.4	0	0	0	0	0	113.7	Q29 Y30 V31	Q29-A33 WeakPolarHBondContact O-CB 3.45Å; Q29-A33 PolarHBondContact O-N 3.03Å; Y30-A33 CarbonylContact O-C 3.53Å; Y30-A33 WeakPolarHBondContact O-CA 3.23Å; Y30-A33 WeakPolarHBondContact O-CB 3.22Å; Y30-A33 PolarHBondContact O-N 3.36Å; V31-A33 VanDerWaalsContact C-N 3.3Å; V31-A33 PolarHBondContact O-N 3.28Å
34	L	86.5	Confident	84.5	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-73.8	-46.7	169.7	-66.3	179.8	0	0	0	111.4	Y30 V31 K36 K37 L44 I47 Q51 L52	Y30-L34 HydrophobicContact CD1-CD1 4.26Å; Y30-L34 HydrophobicContact CE1-CD1 3.78Å; Y30-L34 HydrophobicContact CE1-CD2 4.34Å; Y30-L34 HydrophobicContact CE1-CG 4.09Å; Y30-L34 HydrophobicContact CE2-CD2 4.48Å; Y30-L34 PolarHBondContact O-N 2.81Å; V31-L34 PolarHBondContact O-N 3.05Å; V31-L34 VanDerWaalsContact O-N 3.16Å; L34-K36 PolarHBondContact O-N 2.83Å; L34-K37 HydrophobicContact CD2-CD 4.43Å; L34-K37 WeakPolarHBondContact O-CB 3.45Å; L34-K37 PolarHBondContact O-N 2.91Å; L34-L44 WeakPolarHBondContact O-CD2 3.46Å; L34-I47 HydrophobicContact CD2-CG2 4.3Å; L34-Q51 HydrophobicContact CD1-CB 3.87Å; L34-Q51 HydrophobicContact CD2-CB 4.41Å; L34-Q51 HydrophobicContact CD2-CG 4.3Å; L34-L52 HydrophobicContact CD1-CD2 4.33Å; L34-L52 HydrophobicContact CD1-CG 4.34Å
35	I	84.8	Confident	84.5	Confident	33 Å²	33	64.5 Å²	64.5	17%	0.169	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-25.6	177.9	-64.6	161.7	0	0	0	112.2	L8 V31 K37 L67 L71	L8-I35 HydrophobicContact CD2-CD1 4.09Å; V31-I35 HydrophobicContact CG1-CD1 3.79Å; V31-I35 WeakPolarHBondContact O-CG1 3.11Å; V31-I35 PolarHBondContact O-N 2.62Å; I35-K37 VanDerWaalsContact C-N 3.27Å; I35-K37 PolarHBondContact O-N 3.48Å; I35-L67 HydrophobicContact CD1-CD1 4.23Å; I35-L67 HydrophobicContact CD1-CD2 4.32Å; I35-L71 HydrophobicContact CD1-CD1 4.07Å; I35-L71 HydrophobicContact CG1-CD1 4.33Å
36	K	82.6	Confident	84.7	Confident	112 Å²	112	64.9 Å²	64.9	49%	0.487	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	4.7	175.5	-77.8	173.5	179.2	177.7	0	115	Y5 I32 L34	Y5-K36 HydrophobicContact CE1-CD 4.25Å; Y5-K36 HydrophobicContact CE1-CG 3.91Å; Y5-K36 VanDerWaalsContact CZ-CE 3.45Å; I32-K36 HydrophobicContact CG2-CD 4.12Å; I32-K36 WeakPolarHBondContact O-CB 3.36Å; I32-K36 VanDerWaalsContact O-CG 3.24Å; I32-K36 WeakPolarHBondContact O-CG 3.31Å; I32-K36 PolarHBondContact O-N 3.24Å; I32-K36 VanDerWaalsContact O-N 3.15Å; L34-K36 PolarHBondContact O-N 2.83Å
37	K	82	Confident	84.7	Confident	93 Å²	93	63.5 Å²	63.5	40%	0.404	31%	0.312	S	S	.	.	S	Bend	trans	-92.1	119.1	174.6	-64.1	175.7	-178.4	176.5	0	109.7	L34 I35 K39	L34-K37 HydrophobicContact CD2-CD 4.43Å; L34-K37 WeakPolarHBondContact O-CB 3.45Å; L34-K37 PolarHBondContact O-N 2.91Å; I35-K37 VanDerWaalsContact C-N 3.27Å; I35-K37 PolarHBondContact O-N 3.48Å; K37-K39 PolarHBondContact O-N 2.88Å
38	D	72.9	Confident	84.7	Confident	172 Å²	172	63.2 Å²	63.2	92%	0.92	31%	0.31	S	S	*	.			trans	-71.3	94.3	178.5	-63.6	-58.8	0	0	0	111.2
39	K	79.4	Confident	84.8	Confident	103 Å²	103	66.3 Å²	66.3	45%	0.448	33%	0.326	S	S	.	.			trans	-143.3	169.9	-178.4	-89.6	-177.6	160.7	-84.2	0	110.9	K37 E43 L44 I47	K37-K39 PolarHBondContact O-N 2.88Å; K39-E43 HydrophobicContact CB-CB 4.42Å; K39-E43 VanDerWaalsContact CB-OE2 3.31Å; K39-E43 WeakPolarHBondContact CB-OE2 3.31Å; K39-E43 WeakPolarHBondContact CG-OE2 3.44Å; K39-E43 IonicContact NZ-OE1 3.66Å; K39-E43 IonicContact NZ-OE2 3.35Å; K39-E43 PolarHBondContact NZ-OE2 3.15Å; K39-L44 HydrophobicContact CB-CD1 4.32Å; K39-L44 HydrophobicContact CB-CG 3.91Å; K39-L44 WeakPolarHBondContact O-CD1 3.2Å; K39-I47 HydrophobicContact CD-CD1 3.35Å
40	G	81.7	Confident	84.8	Confident	36 Å²	36	66.3 Å²	66.3	37%	0.371	33%	0.329	S	S	.	.			trans	-64.8	151.8	176.4	0	0	0	0	0	112.4	Q42 E43 L44	G40-Q42 PolarHBondContact O-N 2.84Å; G40-E43 PolarHBondContact N-OE2 2.75Å; G40-E43 PolarHBondContact O-N 3.42Å; G40-L44 WeakPolarHBondContact O-CB 3.37Å; G40-L44 PolarHBondContact O-N 2.69Å
41	E	80	Confident	84.7	Confident	69 Å²	69	67.1 Å²	67.1	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-34.9	-179.8	-165.3	-165.5	130.3	0	0	112	R45 F68 K72	E41-R45 VanDerWaalsContact O-CG 3.31Å; E41-R45 WeakPolarHBondContact O-CG 3.3Å; E41-R45 PolarHBondContact O-N 2.74Å; E41-R45 VanDerWaalsContact O-N 3.13Å; E41-R45 IonicContact OE1-CZ 2.66Å; E41-R45 IonicContact OE1-NE 3.97Å; E41-R45 PolarHBondContact OE1-NE 3.26Å; E41-R45 IonicContact OE1-NH2 2.67Å; E41-R45 PolarHBondContact OE1-NH2 2.95Å; E41-F68 HydrophobicContact CG-CD1 3.94Å; E41-F68 HydrophobicContact CG-CE1 3.85Å; E41-K72 VanDerWaalsContact CD-CE 3.44Å; E41-K72 WeakPolarHBondContact OE1-CE 3.49Å; E41-K72 IonicContact OE1-NZ 2.84Å; E41-K72 PolarHBondContact OE1-NZ 3.35Å; E41-K72 WeakPolarHBondContact OE2-CE 3.34Å; E41-K72 IonicContact OE2-NZ 3.14Å; E41-K72 PolarHBondContact OE2-NZ 3.14Å
42	Q	80.7	Confident	84.6	Confident	143 Å²	143	67.1 Å²	67.1	67%	0.668	34%	0.336	S	S	*	.	H	α-helix	trans	-74	-48.1	179.9	-166.6	158.2	-21.8	0	0	112	G40 L44 R45 E46	G40-Q42 PolarHBondContact O-N 2.84Å; Q42-L44 PolarHBondContact O-N 2.91Å; Q42-R45 WeakPolarHBondContact O-CB 3.23Å; Q42-R45 PolarHBondContact O-N 2.87Å; Q42-E46 PolarHBondContact O-N 3Å; Q42-E46 VanDerWaalsContact O-N 3.09Å
43	E	85.1	Confident	84.6	Confident	86 Å²	86	72 Å²	72	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-57.6	-38.1	171.9	-53.9	-177	133.6	0	0	112.1	K39 G40 R45 E46 I47	K39-E43 HydrophobicContact CB-CB 4.42Å; K39-E43 VanDerWaalsContact CB-OE2 3.31Å; K39-E43 WeakPolarHBondContact CB-OE2 3.31Å; K39-E43 WeakPolarHBondContact CG-OE2 3.44Å; K39-E43 IonicContact NZ-OE1 3.66Å; K39-E43 IonicContact NZ-OE2 3.35Å; K39-E43 PolarHBondContact NZ-OE2 3.15Å; G40-E43 PolarHBondContact N-OE2 2.75Å; G40-E43 PolarHBondContact O-N 3.42Å; E43-R45 VanDerWaalsContact C-N 3.34Å; E43-E46 PolarHBondContact O-N 3.4Å; E43-I47 WeakPolarHBondContact O-CB 3.42Å; E43-I47 WeakPolarHBondContact O-CD1 3.39Å; E43-I47 WeakPolarHBondContact O-CG1 3.27Å; E43-I47 PolarHBondContact O-N 2.93Å
44	L	85.6	Confident	84.5	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-67.1	-33.9	177.6	-89.1	163.5	0	0	0	112.1	L34 K39 G40 Q42 C48 F68	L34-L44 WeakPolarHBondContact O-CD2 3.46Å; K39-L44 HydrophobicContact CB-CD1 4.32Å; K39-L44 HydrophobicContact CB-CG 3.91Å; K39-L44 WeakPolarHBondContact O-CD1 3.2Å; G40-L44 WeakPolarHBondContact O-CB 3.37Å; G40-L44 PolarHBondContact O-N 2.69Å; Q42-L44 PolarHBondContact O-N 2.91Å; L44-C48 VanDerWaalsContact O-CB 3.24Å; L44-C48 WeakPolarHBondContact O-CB 3.33Å; L44-C48 PolarHBondContact O-N 3.16Å; L44-C48 PolarHBondContact O-SG 3.4Å; L44-F68 HydrophobicContact CB-CZ 3.95Å
45	R	86.2	Confident	84.4	Confident	88 Å²	88	79.2 Å²	79.2	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-49.5	172.6	-71.6	160.7	178.5	-121.1	7.1	110.8	E41 Q42 E43 C48 I49 V64 F68	E41-R45 VanDerWaalsContact O-CG 3.31Å; E41-R45 WeakPolarHBondContact O-CG 3.3Å; E41-R45 PolarHBondContact O-N 2.74Å; E41-R45 VanDerWaalsContact O-N 3.13Å; E41-R45 IonicContact OE1-CZ 2.66Å; E41-R45 IonicContact OE1-NE 3.97Å; E41-R45 PolarHBondContact OE1-NE 3.26Å; E41-R45 IonicContact OE1-NH2 2.67Å; E41-R45 PolarHBondContact OE1-NH2 2.95Å; Q42-R45 WeakPolarHBondContact O-CB 3.23Å; Q42-R45 PolarHBondContact O-N 2.87Å; E43-R45 VanDerWaalsContact C-N 3.34Å; R45-C48 CarbonylContact O-C 3.52Å; R45-C48 PolarHBondContact O-N 3.04Å; R45-C48 VanDerWaalsContact O-N 3.14Å; R45-I49 WeakPolarHBondContact O-CG1 3.11Å; R45-I49 PolarHBondContact O-N 3.41Å; R45-V64 HydrophobicContact CB-CG1 4.35Å; R45-V64 HydrophobicContact CG-CG1 4.38Å; R45-F68 HydrophobicContact CB-CE2 4.33Å; R45-F68 HydrophobicContact CG-CD2 3.64Å; R45-F68 HydrophobicContact CG-CE1 4.45Å; R45-F68 HydrophobicContact CG-CE2 3.55Å; R45-F68 HydrophobicContact CG-CG 4.17Å; R45-F68 HydrophobicContact CG-CZ 3.99Å
46	E	87.6	Confident	84.2	Confident	99 Å²	99	77.9 Å²	77.9	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-57.9	-50.2	178.5	-69.6	159.1	-166.9	0	0	110.7	Q42 E43 C48 I49 D50	Q42-E46 PolarHBondContact O-N 3Å; Q42-E46 VanDerWaalsContact O-N 3.09Å; E43-E46 PolarHBondContact O-N 3.4Å; E46-C48 VanDerWaalsContact C-N 3.29Å; E46-C48 PolarHBondContact O-N 3.5Å; E46-I49 WeakPolarHBondContact O-CB 3.4Å; E46-I49 PolarHBondContact O-N 3.01Å; E46-D50 PolarHBondContact O-N 3.23Å
47	I	87.3	Confident	84.3	Confident	39 Å²	39	79.4 Å²	79.4	20%	0.2	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-33.7	176.2	-68.5	164.5	0	0	0	112.2	L34 K39 E43 Q51	L34-I47 HydrophobicContact CD2-CG2 4.3Å; K39-I47 HydrophobicContact CD-CD1 3.35Å; E43-I47 WeakPolarHBondContact O-CB 3.42Å; E43-I47 WeakPolarHBondContact O-CD1 3.39Å; E43-I47 WeakPolarHBondContact O-CG1 3.27Å; E43-I47 PolarHBondContact O-N 2.93Å; I47-Q51 HydrophobicContact CG2-CG 4.16Å; I47-Q51 WeakPolarHBondContact O-CB 3.45Å; I47-Q51 WeakPolarHBondContact O-CG 3.42Å; I47-Q51 PolarHBondContact O-N 3.4Å; I47-Q51 VanDerWaalsContact O-N 3.13Å
48	C	87.2	Confident	84.2	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-72.1	-29.6	173.4	-73	0	0	0	0	112.5	L44 R45 E46 L52 V64	L44-C48 VanDerWaalsContact O-CB 3.24Å; L44-C48 WeakPolarHBondContact O-CB 3.33Å; L44-C48 PolarHBondContact O-N 3.16Å; L44-C48 PolarHBondContact O-SG 3.4Å; R45-C48 CarbonylContact O-C 3.52Å; R45-C48 PolarHBondContact O-N 3.04Å; R45-C48 VanDerWaalsContact O-N 3.14Å; E46-C48 VanDerWaalsContact C-N 3.29Å; E46-C48 PolarHBondContact O-N 3.5Å; C48-L52 HydrophobicContact CB-CD1 4.31Å; C48-L52 WeakPolarHBondContact O-CB 3.44Å; C48-L52 WeakPolarHBondContact O-CD1 3.39Å; C48-L52 WeakPolarHBondContact O-CG 3.24Å; C48-L52 PolarHBondContact O-N 2.94Å; C48-V64 HydrophobicContact CB-CG1 4.17Å; C48-V64 HydrophobicContact CB-CG2 3.9Å
49	I	90.2	Very high	84.6	Confident	66 Å²	66	78.6 Å²	78.6	34%	0.338	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-58.7	174.1	-68.9	162.3	0	0	0	109	R45 E46 Q51 L52 E53 V64	R45-I49 WeakPolarHBondContact O-CG1 3.11Å; R45-I49 PolarHBondContact O-N 3.41Å; E46-I49 WeakPolarHBondContact O-CB 3.4Å; E46-I49 PolarHBondContact O-N 3.01Å; I49-Q51 VanDerWaalsContact C-N 3.31Å; I49-Q51 PolarHBondContact O-N 3.09Å; I49-L52 PolarHBondContact O-N 2.99Å; I49-L52 VanDerWaalsContact O-N 3.14Å; I49-E53 WeakPolarHBondContact O-CB 3.48Å; I49-E53 PolarHBondContact O-N 3.13Å; I49-V64 HydrophobicContact CG1-CB 4.37Å; I49-V64 HydrophobicContact CG1-CG1 4.34Å; I49-V64 HydrophobicContact CG1-CG2 4.16Å
50	D	88.7	Confident	84.8	Confident	103 Å²	103	73.9 Å²	73.9	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-53.6	-44.7	-178.8	-66.1	-0.5	0	0	0	112.8	E46	E46-D50 PolarHBondContact O-N 3.23Å
51	Q	86.1	Confident	85	Confident	86 Å²	86	74.6 Å²	74.6	40%	0.402	37%	0.369	S	S	.	.	H	α-helix	trans	-82.7	-14.9	-174.7	-61.8	-68	-42.6	0	0	113.7	Y30 L34 I47 I49	Y30-Q51 HydrophobicContact CE1-CB 4.07Å; Y30-Q51 PolarHBondContact OH-OE1 3.22Å; L34-Q51 HydrophobicContact CD1-CB 3.87Å; L34-Q51 HydrophobicContact CD2-CB 4.41Å; L34-Q51 HydrophobicContact CD2-CG 4.3Å; I47-Q51 HydrophobicContact CG2-CG 4.16Å; I47-Q51 WeakPolarHBondContact O-CB 3.45Å; I47-Q51 WeakPolarHBondContact O-CG 3.42Å; I47-Q51 PolarHBondContact O-N 3.4Å; I47-Q51 VanDerWaalsContact O-N 3.13Å; I49-Q51 VanDerWaalsContact C-N 3.31Å; I49-Q51 PolarHBondContact O-N 3.09Å
52	L	86.2	Confident	85.3	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-108.5	-15.7	178.8	-57.5	174.5	0	0	0	113.5	L27 Y30 V31 L34 C48 I49 V54 F55 L56 T60 F63 V64	L27-L52 HydrophobicContact CD1-CD2 3.93Å; Y30-L52 HydrophobicContact CD1-CD2 4.2Å; Y30-L52 HydrophobicContact CE1-CD2 4.42Å; V31-L52 HydrophobicContact CG2-CD1 4.02Å; V31-L52 HydrophobicContact CG2-CD2 3.8Å; L34-L52 HydrophobicContact CD1-CD2 4.33Å; L34-L52 HydrophobicContact CD1-CG 4.34Å; C48-L52 HydrophobicContact CB-CD1 4.31Å; C48-L52 WeakPolarHBondContact O-CB 3.44Å; C48-L52 WeakPolarHBondContact O-CD1 3.39Å; C48-L52 WeakPolarHBondContact O-CG 3.24Å; C48-L52 PolarHBondContact O-N 2.94Å; I49-L52 PolarHBondContact O-N 2.99Å; I49-L52 VanDerWaalsContact O-N 3.14Å; L52-V54 PolarHBondContact O-N 2.91Å; L52-F55 HydrophobicContact CD2-CD2 4.49Å; L52-F55 WeakPolarHBondContact O-CA 3.48Å; L52-F55 PolarHBondContact O-N 3.26Å; L52-L56 HydrophobicContact CB-CD1 4.34Å; L52-L56 PolarHBondContact O-N 2.86Å; L52-T60 HydrophobicContact CB-CG2 3.76Å; L52-F63 HydrophobicContact CD1-CD1 4.18Å; L52-F63 HydrophobicContact CD1-CE1 3.98Å; L52-V64 HydrophobicContact CD1-CG2 4.3Å
53	E	88.1	Confident	85.7	Confident	114 Å²	114	71.4 Å²	71.4	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-54.5	-39.6	173.9	-175	176.8	-158.4	0	0	111.7	I49 F55 Q57 T60	I49-E53 WeakPolarHBondContact O-CB 3.48Å; I49-E53 PolarHBondContact O-N 3.13Å; E53-F55 PolarHBondContact O-N 3.39Å; E53-F55 VanDerWaalsContact O-N 3.12Å; E53-Q57 WeakPolarHBondContact O-CA 3.32Å; E53-Q57 PolarHBondContact O-N 2.82Å; E53-T60 WeakPolarHBondContact CA-OG1 3.43Å
54	V	84.9	Confident	85.9	Confident	116 Å²	116	67.5 Å²	67.5	70%	0.703	33%	0.334	S	S	*	.	H	α-helix	trans	-57.8	-25.7	175.4	-174.3	0	0	0	0	113	L52	L52-V54 PolarHBondContact O-N 2.91Å
55	F	84.6	Confident	86.1	Confident	85 Å²	85	72.4 Å²	72.4	37%	0.373	36%	0.356	S	S	.	.	H	α-helix	trans	-107.8	-32.8	-177.3	-61.1	-78.1	0	0	0	114.2	L27 Y30 L52 E53	L27-F55 HydrophobicContact CD1-CB 4.11Å; L27-F55 HydrophobicContact CD1-CD1 4.17Å; L27-F55 HydrophobicContact CD1-CD2 3.78Å; L27-F55 HydrophobicContact CD1-CE2 4.2Å; L27-F55 HydrophobicContact CD1-CG 3.76Å; L27-F55 HydrophobicContact CD2-CB 4.01Å; L27-F55 HydrophobicContact CD2-CG 4.38Å; Y30-F55 HydrophobicContact CD1-CE2 4.43Å; Y30-F55 HydrophobicContact CE1-CE2 4.45Å; L52-F55 HydrophobicContact CD2-CD2 4.49Å; L52-F55 WeakPolarHBondContact O-CA 3.48Å; L52-F55 PolarHBondContact O-N 3.26Å; E53-F55 PolarHBondContact O-N 3.39Å; E53-F55 VanDerWaalsContact O-N 3.12Å
56	L	81.8	Confident	86.1	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-118.4	-11.7	-169.8	-68	173.9	0	0	0	114	L16 L19 C20 L52 E58 N59 T60 F63	L16-L56 HydrophobicContact CD2-CD1 4.19Å; L16-L56 HydrophobicContact CD2-CD2 4.12Å; L19-L56 HydrophobicContact CB-CD2 3.78Å; C20-L56 HydrophobicContact CB-CD2 4.13Å; L52-L56 HydrophobicContact CB-CD1 4.34Å; L52-L56 PolarHBondContact O-N 2.86Å; L56-E58 PolarHBondContact O-N 3.02Å; L56-N59 WeakPolarHBondContact O-CB 3.35Å; L56-N59 PolarHBondContact O-N 3.29Å; L56-T60 VanDerWaalsContact CB-OG1 3.32Å; L56-T60 WeakPolarHBondContact CB-OG1 3.44Å; L56-F63 HydrophobicContact CD1-CB 4.02Å; L56-F63 HydrophobicContact CD1-CD1 3.46Å; L56-F63 VanDerWaalsContact CD1-CD1 3.46Å; L56-F63 HydrophobicContact CD1-CD2 4.34Å; L56-F63 HydrophobicContact CD1-CE1 3.99Å; L56-F63 HydrophobicContact CD1-CG 3.66Å
57	Q	83.3	Confident	86.1	Confident	145 Å²	145	66.6 Å²	66.6	68%	0.678	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	49.6	-127.6	174.9	-58.7	177.9	-8.4	0	0	111.9	E53 N59 T60	E53-Q57 WeakPolarHBondContact O-CA 3.32Å; E53-Q57 PolarHBondContact O-N 2.82Å; Q57-N59 PolarHBondContact O-N 2.89Å; Q57-T60 PolarHBondContact N-OG1 3.24Å; Q57-T60 VanDerWaalsContact O-CB 3.29Å; Q57-T60 WeakPolarHBondContact O-CB 3.39Å; Q57-T60 PolarHBondContact O-N 3.42Å; Q57-T60 PolarHBondContact O-OG1 2.83Å
58	E	80.9	Confident	86.1	Confident	181 Å²	181	65.4 Å²	65.4	85%	0.846	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-58.7	-18.4	-179.7	-59.9	179.9	-177	0	0	114.5	L56 T60	L56-E58 PolarHBondContact O-N 3.02Å; E58-T60 VanDerWaalsContact C-N 3.35Å
59	N	80.4	Confident	86.1	Confident	66 Å²	66	68 Å²	68	35%	0.353	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-84.3	-9	177.8	-63	-53.3	0	0	0	113.4	L19 L56 Q57 K62 F63	L19-N59 HydrophobicContact CD2-CB 4.39Å; L56-N59 WeakPolarHBondContact O-CB 3.35Å; L56-N59 PolarHBondContact O-N 3.29Å; Q57-N59 PolarHBondContact O-N 2.89Å; N59-K62 PolarHBondContact O-N 3.05Å; N59-F63 WeakPolarHBondContact O-CB 3.49Å; N59-F63 PolarHBondContact O-N 2.94Å
60	T	84.8	Confident	85.8	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-49.9	-168.8	-51.6	0	0	0	0	113.1	L52 E53 L56 Q57 E58 K62 F63 V64	L52-T60 HydrophobicContact CB-CG2 3.76Å; E53-T60 WeakPolarHBondContact CA-OG1 3.43Å; L56-T60 VanDerWaalsContact CB-OG1 3.32Å; L56-T60 WeakPolarHBondContact CB-OG1 3.44Å; Q57-T60 PolarHBondContact N-OG1 3.24Å; Q57-T60 VanDerWaalsContact O-CB 3.29Å; Q57-T60 WeakPolarHBondContact O-CB 3.39Å; Q57-T60 PolarHBondContact O-N 3.42Å; Q57-T60 PolarHBondContact O-OG1 2.83Å; E58-T60 VanDerWaalsContact C-N 3.35Å; T60-K62 PolarHBondContact O-N 3.3Å; T60-F63 PolarHBondContact O-N 2.82Å; T60-F63 VanDerWaalsContact O-N 3.15Å; T60-V64 HydrophobicContact CG2-CG2 4.25Å; T60-V64 WeakPolarHBondContact O-CG2 3.48Å; T60-V64 PolarHBondContact O-N 3.33Å
61	A	85.2	Confident	85.5	Confident	52 Å²	52	61.1 Å²	61.1	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-57.2	-48.9	-178.8	0	0	0	0	0	111.7	F63 V64 E65	A61-F63 VanDerWaalsContact C-N 3.34Å; A61-F63 PolarHBondContact O-N 3.1Å; A61-V64 PolarHBondContact O-N 3.22Å; A61-E65 WeakPolarHBondContact O-CG 3.43Å; A61-E65 PolarHBondContact O-N 3.13Å
62	K	86.9	Confident	85.4	Confident	141 Å²	141	62.6 Å²	62.6	61%	0.613	32%	0.319	S	S	*	.	H	α-helix	trans	-60.2	-41.6	176.8	-63.8	169.7	-175.7	162.4	0	112.1	N59 T60 D66	N59-K62 PolarHBondContact O-N 3.05Å; T60-K62 PolarHBondContact O-N 3.3Å; K62-D66 WeakPolarHBondContact O-CB 3.31Å; K62-D66 PolarHBondContact O-N 3.34Å
63	F	89.7	Confident	84.9	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-39.3	177.4	175.5	-95.8	0	0	0	112.4	L12 K15 L16 L19 V31 L52 L56 N59 T60 A61 L67	L12-F63 HydrophobicContact CD2-CE2 4.42Å; L12-F63 HydrophobicContact CD2-CZ 3.74Å; K15-F63 HydrophobicContact CB-CE2 4.39Å; L16-F63 HydrophobicContact CD2-CD2 4.36Å; L16-F63 HydrophobicContact CD2-CE1 4.31Å; L16-F63 HydrophobicContact CD2-CE2 3.66Å; L16-F63 HydrophobicContact CD2-CZ 3.63Å; L16-F63 HydrophobicContact CG-CE2 4.21Å; L16-F63 HydrophobicContact CG-CZ 4.23Å; L19-F63 HydrophobicContact CD1-CD2 4.09Å; V31-F63 HydrophobicContact CG2-CE1 4.39Å; L52-F63 HydrophobicContact CD1-CD1 4.18Å; L52-F63 HydrophobicContact CD1-CE1 3.98Å; L56-F63 HydrophobicContact CD1-CB 4.02Å; L56-F63 HydrophobicContact CD1-CD1 3.46Å; L56-F63 VanDerWaalsContact CD1-CD1 3.46Å; L56-F63 HydrophobicContact CD1-CD2 4.34Å; L56-F63 HydrophobicContact CD1-CE1 3.99Å; L56-F63 HydrophobicContact CD1-CG 3.66Å; N59-F63 WeakPolarHBondContact O-CB 3.49Å; N59-F63 PolarHBondContact O-N 2.94Å; T60-F63 PolarHBondContact O-N 2.82Å; T60-F63 VanDerWaalsContact O-N 3.15Å; A61-F63 VanDerWaalsContact C-N 3.34Å; A61-F63 PolarHBondContact O-N 3.1Å; F63-L67 HydrophobicContact CE1-CD2 4.29Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 3.32Å
64	V	89	Confident	84.3	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-68.5	-40.8	176.8	173.5	0	0	0	0	110.6	R45 C48 I49 L52 T60 A61 L67 F68	R45-V64 HydrophobicContact CB-CG1 4.35Å; R45-V64 HydrophobicContact CG-CG1 4.38Å; C48-V64 HydrophobicContact CB-CG1 4.17Å; C48-V64 HydrophobicContact CB-CG2 3.9Å; I49-V64 HydrophobicContact CG1-CB 4.37Å; I49-V64 HydrophobicContact CG1-CG1 4.34Å; I49-V64 HydrophobicContact CG1-CG2 4.16Å; L52-V64 HydrophobicContact CD1-CG2 4.3Å; T60-V64 HydrophobicContact CG2-CG2 4.25Å; T60-V64 WeakPolarHBondContact O-CG2 3.48Å; T60-V64 PolarHBondContact O-N 3.33Å; A61-V64 PolarHBondContact O-N 3.22Å; V64-L67 PolarHBondContact O-N 2.78Å; V64-F68 HydrophobicContact CG1-CD2 3.79Å; V64-F68 HydrophobicContact CG1-CE2 3.9Å; V64-F68 WeakPolarHBondContact O-CD2 3.42Å; V64-F68 PolarHBondContact O-N 3.04Å
65	E	88.8	Confident	83.5	Confident	123 Å²	123	64.7 Å²	64.7	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-60.1	-49.5	172.3	-72.5	176	165.3	0	0	112.1	A61 L67 F68 A69	A61-E65 WeakPolarHBondContact O-CG 3.43Å; A61-E65 PolarHBondContact O-N 3.13Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.38Å; E65-F68 PolarHBondContact O-N 3.46Å; E65-A69 WeakPolarHBondContact O-CB 3.44Å; E65-A69 PolarHBondContact O-N 2.69Å
66	D	87	Confident	82.8	Confident	66 Å²	66	61 Å²	61	35%	0.353	31%	0.312	S	S	.	.	H	α-helix	trans	-54.6	-45.9	173	-108.1	14.9	0	0	0	111.5	K15 K62 A69 V70	K15-D66 IonicContact NZ-OD2 2.83Å; K15-D66 PolarHBondContact NZ-OD2 3.19Å; K62-D66 WeakPolarHBondContact O-CB 3.31Å; K62-D66 PolarHBondContact O-N 3.34Å; D66-A69 PolarHBondContact O-N 3.31Å; D66-V70 VanDerWaalsContact O-CB 3.32Å; D66-V70 WeakPolarHBondContact O-CB 3.4Å; D66-V70 VanDerWaalsContact O-CG2 3.24Å; D66-V70 WeakPolarHBondContact O-CG2 3.4Å; D66-V70 PolarHBondContact O-N 2.96Å
67	L	87.1	Confident	81.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-47.2	-178.7	177.8	64.3	0	0	0	111.8	W11 L12 V31 I35 F63 V64 E65 V70 L71	W11-L67 HydrophobicContact CZ3-CD1 4Å; L12-L67 HydrophobicContact CD2-CD1 4.27Å; V31-L67 HydrophobicContact CG1-CD1 4.37Å; V31-L67 HydrophobicContact CG1-CD2 3.73Å; I35-L67 HydrophobicContact CD1-CD1 4.23Å; I35-L67 HydrophobicContact CD1-CD2 4.32Å; F63-L67 HydrophobicContact CE1-CD2 4.29Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 3.32Å; V64-L67 PolarHBondContact O-N 2.78Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.38Å; L67-V70 PolarHBondContact O-N 3.27Å; L67-L71 HydrophobicContact CD1-CD1 4.29Å; L67-L71 HydrophobicContact CD1-CG 4.45Å; L67-L71 HydrophobicContact CG-CD1 4.16Å; L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 3.39Å
68	F	87.8	Confident	80.6	Confident	14 Å²	14	62.2 Å²	62.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-69.7	-33.3	176.9	-83	-81.1	0	0	0	112.4	E41 L44 R45 V64 E65 K72	E41-F68 HydrophobicContact CG-CD1 3.94Å; E41-F68 HydrophobicContact CG-CE1 3.85Å; L44-F68 HydrophobicContact CB-CZ 3.95Å; R45-F68 HydrophobicContact CB-CE2 4.33Å; R45-F68 HydrophobicContact CG-CD2 3.64Å; R45-F68 HydrophobicContact CG-CE1 4.45Å; R45-F68 HydrophobicContact CG-CE2 3.55Å; R45-F68 HydrophobicContact CG-CG 4.17Å; R45-F68 HydrophobicContact CG-CZ 3.99Å; V64-F68 HydrophobicContact CG1-CD2 3.79Å; V64-F68 HydrophobicContact CG1-CE2 3.9Å; V64-F68 WeakPolarHBondContact O-CD2 3.42Å; V64-F68 PolarHBondContact O-N 3.04Å; E65-F68 PolarHBondContact O-N 3.46Å; F68-K72 WeakPolarHBondContact O-CB 3.46Å; F68-K72 VanDerWaalsContact O-CG 3.31Å; F68-K72 WeakPolarHBondContact O-CG 3.31Å; F68-K72 PolarHBondContact O-N 2.9Å; F68-K72 VanDerWaalsContact O-N 3.08Å
69	A	85.8	Confident	78.7	Confident	53 Å²	53	58.2 Å²	58.2	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-42.7	171.2	0	0	0	0	0	111.7	E65 D66 K72 S73	E65-A69 WeakPolarHBondContact O-CB 3.44Å; E65-A69 PolarHBondContact O-N 2.69Å; D66-A69 PolarHBondContact O-N 3.31Å; A69-K72 PolarHBondContact O-N 3.4Å; A69-S73 WeakPolarHBondContact O-CB 3.35Å; A69-S73 PolarHBondContact O-N 3.41Å; A69-S73 PolarHBondContact O-OG 2.84Å
70	V	84.5	Confident	76.6	Confident	14 Å²	14	62.1 Å²	62.1	9%	0.085	35%	0.346	C	S	.	.	H	α-helix	trans	-72.7	-34.2	179.6	167.2	0	0	0	0	112.9	W11 D66 L67 S73 R74 Y76	W11-V70 HydrophobicContact CD2-CG1 4.12Å; W11-V70 HydrophobicContact CE3-CG1 4.35Å; W11-V70 HydrophobicContact CH2-CB 4.17Å; W11-V70 HydrophobicContact CH2-CG1 4.22Å; W11-V70 HydrophobicContact CH2-CG2 4.09Å; W11-V70 HydrophobicContact CZ2-CB 4.05Å; W11-V70 HydrophobicContact CZ2-CG1 3.98Å; W11-V70 HydrophobicContact CZ2-CG2 3.57Å; W11-V70 HydrophobicContact CZ3-CG1 4.39Å; D66-V70 VanDerWaalsContact O-CB 3.32Å; D66-V70 WeakPolarHBondContact O-CB 3.4Å; D66-V70 VanDerWaalsContact O-CG2 3.24Å; D66-V70 WeakPolarHBondContact O-CG2 3.4Å; D66-V70 PolarHBondContact O-N 2.96Å; L67-V70 PolarHBondContact O-N 3.27Å; V70-S73 WeakPolarHBondContact CA-OG 3.39Å; V70-R74 WeakPolarHBondContact O-CA 3.49Å; V70-R74 PolarHBondContact O-N 2.93Å; V70-Y76 HydrophobicContact CG1-CD1 3.89Å; V70-Y76 HydrophobicContact CG1-CG 4.38Å
71	L	82.8	Confident	74.1	Confident	12 Å²	12	68.4 Å²	68.4	6%	0.063	38%	0.384	C	S	.	.	H	α-helix	trans	-66	-37.2	170.9	-73.5	168.8	0	0	0	112	V3 L8 I35 L67	V3-L71 HydrophobicContact CG1-CD2 4.02Å; V3-L71 HydrophobicContact CG2-CD2 4.08Å; L8-L71 HydrophobicContact CD2-CD2 4.14Å; I35-L71 HydrophobicContact CD1-CD1 4.07Å; I35-L71 HydrophobicContact CG1-CD1 4.33Å; L67-L71 HydrophobicContact CD1-CD1 4.29Å; L67-L71 HydrophobicContact CD1-CG 4.45Å; L67-L71 HydrophobicContact CG-CD1 4.16Å; L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 3.39Å
72	K	83.3	Confident	71.8	Confident	117 Å²	117	74.2 Å²	74.2	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-73.9	-41	175.9	-72.3	-178	-175.4	-164.4	0	113	E41 F68 A69	E41-K72 VanDerWaalsContact CD-CE 3.44Å; E41-K72 WeakPolarHBondContact OE1-CE 3.49Å; E41-K72 IonicContact OE1-NZ 2.84Å; E41-K72 PolarHBondContact OE1-NZ 3.35Å; E41-K72 WeakPolarHBondContact OE2-CE 3.34Å; E41-K72 IonicContact OE2-NZ 3.14Å; E41-K72 PolarHBondContact OE2-NZ 3.14Å; F68-K72 WeakPolarHBondContact O-CB 3.46Å; F68-K72 VanDerWaalsContact O-CG 3.31Å; F68-K72 WeakPolarHBondContact O-CG 3.31Å; F68-K72 PolarHBondContact O-N 2.9Å; F68-K72 VanDerWaalsContact O-N 3.08Å; A69-K72 PolarHBondContact O-N 3.4Å
73	S	76.5	Confident	69.4	Low	69 Å²	69	76.8 Å²	76.8	48%	0.483	42%	0.418	S	S	.	.	H	α-helix	trans	-84.9	-14.2	-177.6	68.2	0	0	0	0	114.4	A69 V70 T75	A69-S73 WeakPolarHBondContact O-CB 3.35Å; A69-S73 PolarHBondContact O-N 3.41Å; A69-S73 PolarHBondContact O-OG 2.84Å; V70-S73 WeakPolarHBondContact CA-OG 3.39Å; S73-T75 PolarHBondContact O-N 3.3Å; S73-T75 VanDerWaalsContact O-N 3.14Å; S73-T75 WeakPolarHBondContact OG-CG2 3.45Å; S73-T75 PolarHBondContact OG-OG1 3.5Å
74	R	75.3	Confident	66.5	Low	128 Å²	128	82.6 Å²	82.6	48%	0.483	46%	0.457	S	S	.	.			trans	56	20.8	-175.2	-70.3	175.4	159	165.6	-10.5	114.7	Q2 V70 Y76 V77	Q2-R74 PolarHBondContact O-NH2 3.18Å; V70-R74 WeakPolarHBondContact O-CA 3.49Å; V70-R74 PolarHBondContact O-N 2.93Å; R74-Y76 HydrophobicContact CB-CE1 4.25Å; R74-Y76 HydrophobicContact CG-CE1 4.13Å; R74-Y76 PolarHBondContact O-N 2.9Å; R74-V77 HydrophobicContact CB-CG2 4.49Å; R74-V77 WeakPolarHBondContact O-CB 3.39Å; R74-V77 WeakPolarHBondContact O-CG2 3.24Å; R74-V77 PolarHBondContact O-N 3.03Å
75	T	67.8	Low	63.8	Low	77 Å²	77	89.1 Å²	89.1	47%	0.472	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-61.5	-19	-179	48	0	0	0	0	114	S73 V77 A78	S73-T75 PolarHBondContact O-N 3.3Å; S73-T75 VanDerWaalsContact O-N 3.14Å; S73-T75 WeakPolarHBondContact OG-CG2 3.45Å; S73-T75 PolarHBondContact OG-OG1 3.5Å; T75-V77 PolarHBondContact O-N 3.2Å; T75-V77 VanDerWaalsContact O-N 3.17Å; T75-A78 PolarHBondContact O-N 3.32Å
76	Y	69.5	Low	61.4	Low	7 Å²	7	91.3 Å²	91.3	3%	0.027	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-60.8	-17.8	172.5	67.7	-97.2	0	0	0	113.9	D4 Q7 L8 V70 R74	D4-Y76 HydrophobicContact CB-CE2 4.26Å; D4-Y76 PolarHBondContact N-OH 3.4Å; Q7-Y76 HydrophobicContact CB-CD2 4.15Å; L8-Y76 HydrophobicContact CB-CD2 4.26Å; L8-Y76 HydrophobicContact CD1-CD1 4.41Å; L8-Y76 HydrophobicContact CD1-CG 4.3Å; V70-Y76 HydrophobicContact CG1-CD1 3.89Å; V70-Y76 HydrophobicContact CG1-CG 4.38Å; R74-Y76 HydrophobicContact CB-CE1 4.25Å; R74-Y76 HydrophobicContact CG-CE1 4.13Å; R74-Y76 PolarHBondContact O-N 2.9Å
77	V	62.3	Low	58.9	Low	83 Å²	83	93 Å²	93	50%	0.503	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-77	-23.6	178.5	-178.7	0	0	0	0	112.5	R74 T75 C79	R74-V77 HydrophobicContact CB-CG2 4.49Å; R74-V77 WeakPolarHBondContact O-CB 3.39Å; R74-V77 WeakPolarHBondContact O-CG2 3.24Å; R74-V77 PolarHBondContact O-N 3.03Å; T75-V77 PolarHBondContact O-N 3.2Å; T75-V77 VanDerWaalsContact O-N 3.17Å; V77-C79 PolarHBondContact O-N 2.92Å
78	A	57.6	Low	56.7	Low	91 Å²	91	98 Å²	98	75%	0.752	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-89.3	4.8	-167.6	0	0	0	0	0	115.7	T75 E80	T75-A78 PolarHBondContact O-N 3.32Å; A78-E80 PolarHBondContact O-N 3.36Å
79	C	40.2	Very low	54.4	Low	97 Å²	97	101.9 Å²	101.9	66%	0.655	58%	0.583	S	S	*	*			trans	-105	57.3	-165.7	-148.2	0	0	0	0	113.9	V77	V77-C79 PolarHBondContact O-N 2.92Å
80	E	36.6	Very low	52	Low	149 Å²	149	106.4 Å²	106.4	70%	0.696	60%	0.599	S	S	*	*			trans	-122.3	41.6	-178.6	-159.9	168.6	-108	0	0	113.1	Q7 A78	Q7-E80 PolarHBondContact NE2-OE1 3.13Å; A78-E80 PolarHBondContact O-N 3.36Å
81	T	32.2	Very low	49.8	Very low	135 Å²	135	112.7 Å²	112.7	83%	0.828	63%	0.632	S	S	*	*			trans	-166.4	96.3	165	0.8	0	0	0	0	112.9
82	L	37.4	Very low	47.7	Very low	175 Å²	175	117.1 Å²	117.1	92%	0.916	66%	0.664	S	S	*	*			trans	-147.3	95.8	156.9	-80.8	-173.8	0	0	0	111
83	K	36.4	Very low	45	Very low	194 Å²	194	117 Å²	117	84%	0.843	68%	0.677	S	S	*	*			trans	-77.8	146.8	152.9	-69.4	178.7	179.2	177	0	107.8	N85	K83-N85 PolarHBondContact O-N 3.11Å
84	P	28.2	Very low	43.2	Very low	127 Å²	127	118.1 Å²	118.1	83%	0.825	69%	0.685	S	S	*	*			trans	-71.3	119.4	179.5	29	-33.5	0	0	0	110.6
85	N	31.9	Very low	41.3	Very low	140 Å²	140	120.6 Å²	120.6	75%	0.749	70%	0.699	S	S	*	*			trans	-154.9	113.3	161.3	-113.6	-7.7	0	0	0	112.8	K83	K83-N85 PolarHBondContact O-N 3.11Å
86	Q	38.6	Very low	39.7	Very low	170 Å²	170	122.4 Å²	122.4	79%	0.794	71%	0.706	S	S	*	*			trans	34.2	114.6	135.5	-51.4	-175.8	17.2	0	0	120.3
87	S	34.8	Very low	38.3	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	74%	0.736	S	S	*	*			trans	63.5	131.1	136.8	56.7	0	0	0	0	123.6
88	S	41.3	Very low	37.1	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	76%	0.755	S	S	*	*			trans	75.2	125.7	141.3	50.1	0	0	0	0	123.2
89	S	38.8	Very low	36.1	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	76%	0.756	S	S	*	*			trans	61.1	103.5	141.1	61.4	0	0	0	0	122
90	D	35.1	Very low	36.1	Very low	147 Å²	147	133 Å²	133	79%	0.786	77%	0.767	S	S	*	*				60.1	148.5	115	-49.4	-26.8	0	0	0	123.8
91	N	39.7	Very low	36.4	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	77%	0.773	S	S	*	*			trans	80.9	84.7	156.4	-61.8	-30.7	0	0	0	121.5
92	S	37.3	Very low	36.7	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	77%	0.772	S	S	*	*				71.2	116.3	110.7	73.9	0	0	0	0	123.2
93	C	27.6	Very low	36.3	Very low	115 Å²	115	131 Å²	131	78%	0.777	77%	0.772	S	S	*	*				92.4	119.6	120.7	-152.1	0	0	0	0	122.9
94	S	38.1	Very low	36.1	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	77%	0.767	S	S	*	*			trans	78.7	125.3	141.9	-75.7	0	0	0	0	124.4
95	K	36.1	Very low	36.2	Very low	179 Å²	179	126.5 Å²	126.5	78%	0.778	77%	0.768	S	S	*	*			trans	71.2	148.4	132.5	-71.5	-179.3	158.2	-83.1	0	119.3
96	D	33.9	Very low	36	Very low	115 Å²	115	126.1 Å²	126.1	62%	0.615	77%	0.771	S	S	*	*			cis	-159.3	162.6	-11.3	-131.7	-45.3	0	0	0	112.5
97	S	40.6	Very low	35.7	Very low	95 Å²	95	122.8 Å²	122.8	66%	0.664	77%	0.766	S	S	*	*			trans	64.1	111.9	146	-66.4	0	0	0	0	125.9
98	S	36.8	Very low	35.5	Very low	127 Å²	127	126.1 Å²	126.1	89%	0.888	77%	0.768	S	S	*	*				87	138.7	129	79.3	0	0	0	0	122.2
99	G	36.5	Very low	35.1	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	77%	0.765	S	S	*	*			trans	-177.3	4.5	-177	0	0	0	0	0	124.2
100	K	41.1	Very low	35	Very low	204 Å²	204	129 Å²	129	89%	0.887	77%	0.768	S	S	*	*			trans	67.3	105.4	170.1	-56.3	173.7	-179.5	173.2	0	120.7
101	N	41.2	Very low	35.2	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	76%	0.762	S	S	*	*				23.5	160.2	111	-68.5	7.7	0	0	0	122.3
102	P	40.1	Very low	35.5	Very low	123 Å²	123	125 Å²	125	80%	0.799	76%	0.758	S	S	*	*			cis	-135.7	-163.4	-6.9	34.5	-11.5	0	0	0	115.1
103	C	28.3	Very low	35.7	Very low	136 Å²	136	129.5 Å²	129.5	92%	0.919	76%	0.764	S	S	*	*			trans	-106	160.4	179	-49	0	0	0	0	113.8
104	G	31.5	Very low	36.5	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	75%	0.753	S	S	*	*			trans	165.1	96.2	163.1	0	0	0	0	0	119.6
105	N	30	Very low	36.8	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	76%	0.757	S	S	*	*			trans	40.4	149	142.9	-70	1	0	0	0	126.1
106	T	29.5	Very low	37.1	Very low	132 Å²	132	130.8 Å²	130.8	81%	0.81	74%	0.744	S	S	*	*			trans	74.2	100.9	147.6	41.6	0	0	0	0	123
107	S	31.5	Very low	37.4	Very low	100 Å²	100	135 Å²	135	70%	0.699	75%	0.752	S	S	*	*				78.8	149.9	122.8	-144.5	0	0	0	0	122.9
108	F	30.2	Very low	37.1	Very low	171 Å²	171	137 Å²	137	75%	0.75	75%	0.75	S	S	*	*			trans	73.1	126.5	165.6	-75.3	-72.9	0	0	0	121.4
109	D	33.3	Very low	37	Very low	127 Å²	127	137.6 Å²	137.6	68%	0.679	74%	0.743	S	S	*	*			trans	70.4	148.3	139.9	-68.8	-28	0	0	0	122.6
110	N	36.4	Very low	36.8	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	74%	0.737	S	S	*	*			cis	-168.5	-177.9	-34	-143.5	-51.8	0	0	0	110.5
111	V	40.1	Very low	36.4	Very low	108 Å²	108	135.4 Å²	135.4	66%	0.655	73%	0.727	S	S	*	*			trans	71.3	89.4	157.3	179.2	0	0	0	0	118.4
112	S	45.3	Very low	36	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	72%	0.721	S	S	*	*				45.3	135.9	112.4	-48.8	0	0	0	0	122.9
113	K	42.3	Very low	35.6	Very low	199 Å²	199	135.7 Å²	135.7	87%	0.865	72%	0.722	S	S	*	*				-172.7	159	112	-98.4	152.9	-179.5	170.9	0	110
114	D	44.2	Very low	35.8	Very low	101 Å²	101	134.6 Å²	134.6	54%	0.54	71%	0.711	S	S	.	*			cis	-178.7	132.2	-22.2	178	34.4	0	0	0	102.6
115	R	44.9	Very low	36	Very low	193 Å²	193	138.5 Å²	138.5	73%	0.728	72%	0.715	S	S	*	*				-176	125.9	83.1	-90.2	-176	172.7	177.3	1.3	115.2
116	K	42.2	Very low	36.1	Very low	120 Å²	120	135.1 Å²	135.1	52%	0.522	71%	0.709	S	S	.	*				65.9	146.6	126.6	-65.5	176.8	-179.1	176.4	0	118.5
117	R	38.7	Very low	36.3	Very low	204 Å²	204	133.9 Å²	133.9	77%	0.77	71%	0.705	S	S	*	*			cis	-161.3	154.5	5.4	-114.7	159.3	175.5	173.1	-5.1	107.3
118	H	34.9	Very low	36.4	Very low	136 Å²	136	136 Å²	136	63%	0.63	71%	0.709	S	S	*	*			cis	-178.2	161.2	-12.9	-128.9	-125.8	0	0	0	107.9
119	L	35.1	Very low	36.6	Very low	140 Å²	140	133.6 Å²	133.6	73%	0.733	71%	0.708	S	S	*	*			trans	67.9	142.7	152.1	-62.9	161	0	0	0	119.6
120	T	32.8	Very low	36.6	Very low	107 Å²	107	133 Å²	133	66%	0.656	71%	0.709	S	S	*	*			cis	-170.2	158.8	-31.7	10.2	0	0	0	0	111.5
121	N	32.5	Very low	36.4	Very low	126 Å²	126	133 Å²	133	67%	0.674	71%	0.709	S	S	*	*			trans	67.6	125	146.8	-75.8	15.9	0	0	0	123.1
122	N	31.4	Very low	36	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	72%	0.718	S	S	*	*				57.3	131	122.8	-54.6	5.2	0	0	0	120.5
123	N	31.7	Very low	35.3	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	73%	0.729	S	S	*	*				-157.3	163.6	84.5	-134.6	-0.1	0	0	0	115
124	T	32.4	Very low	34.7	Very low	114 Å²	114	131.1 Å²	131.1	70%	0.699	72%	0.724	S	S	*	*			trans	-101.1	172.7	173.4	51.3	0	0	0	0	112.1
125	N	35.8	Very low	34.3	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	73%	0.732	S	S	*	*			trans	-9.7	142	148	-52.1	-10.2	0	0	0	116.6
126	A	32.4	Very low	33.7	Very low	85 Å²	85	130.8 Å²	130.8	70%	0.702	73%	0.734	S	S	*	*			cis	-168.9	165.4	-8.7	0	0	0	0	0	111.1
127	S	33.4	Very low	33.4	Very low	105 Å²	105	132 Å²	132	73%	0.734	74%	0.742	S	S	*	*			trans	72.3	145.2	163	76.1	0	0	0	0	120
128	N	33.7	Very low	33.1	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	74%	0.736	S	S	*	*			trans	77.2	115.1	152.6	-62.7	-11.9	0	0	0	121.9
129	V	35.3	Very low	33	Very low	122 Å²	122	133.2 Å²	133.2	74%	0.739	75%	0.745	S	S	*	*				92.2	107.5	125.4	170.4	0	0	0	0	120.1
130	T	32.5	Very low	33.1	Very low	115 Å²	115	135.5 Å²	135.5	71%	0.706	75%	0.749	S	S	*	*			trans	74.1	138	146.1	51	0	0	0	0	124.4
131	D	33	Very low	33	Very low	133 Å²	133	141 Å²	141	71%	0.711	76%	0.758	S	S	*	*			trans	76.8	102.6	139.7	-60.4	-4.3	0	0	0	123.7
132	T	31.8	Very low	33	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	76%	0.762	S	S	*	*			trans	54.1	93.8	140.6	55.2	0	0	0	0	118.9
133	C	29.2	Very low	33.5	Very low	139 Å²	139	138.7 Å²	138.7	94%	0.939	76%	0.76	S	S	*	*			trans	-132.1	104.1	171.1	-96.3	0	0	0	0	114.8
134	A	30.7	Very low	33.6	Very low	92 Å²	92	138 Å²	138	76%	0.76	75%	0.751	S	S	*	*			trans	-120	147.7	140.7	0	0	0	0	0	105.7
135	P	36.4	Very low	33.8	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	76%	0.756	S	S	*	*				-157.7	157.8	71.4	41	-20.3	0	0	0	119.2
136	K	31.3	Very low	33.5	Very low	179 Å²	179	140.1 Å²	140.1	78%	0.778	76%	0.755	S	S	*	*			trans	48.3	118.7	133.5	-60.3	168.2	-173.2	168.5	0	121.5
137	Q	36.1	Very low	33.3	Very low	147 Å²	147	140.4 Å²	140.4	69%	0.687	76%	0.757	S	S	*	*			trans	78.2	152.9	132.9	-64.8	178.5	22.2	0	0	118.2
138	K	32.5	Very low	33.3	Very low	149 Å²	149	143.8 Å²	143.8	65%	0.648	76%	0.758	S	S	*	*			cis	-161.2	127.6	13.8	-134.6	157.8	-173.8	152.6	0	114.2
139	R	33.2	Very low	33.1	Very low	216 Å²	216	145.8 Å²	145.8	82%	0.815	76%	0.76	S	S	*	*			trans	62.5	154.3	150.2	-66.2	174.5	171.5	171.6	-4.9	118.6
140	K	36	Very low	32.8	Very low	188 Å²	188	147.7 Å²	147.7	82%	0.817	77%	0.765	S	S	*	*			cis	-123.5	135.6	15.3	-62.5	173	-180	174.3	0	111
141	R	31.6	Very low	32.6	Very low	223 Å²	223	145.8 Å²	145.8	84%	0.842	76%	0.756	S	S	*	*				51.9	137.9	107.8	-63	178.3	165.7	172	-6.7	116.2
142	S	33.4	Very low	32.4	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	74%	0.738	S	S	*	*			cis	172.6	166.6	-13.8	-95.2	0	0	0	0	107.8
143	P	40.2	Very low	32.2	Very low	102 Å²	102	140.8 Å²	140.8	66%	0.662	73%	0.728	S	S	*	*			cis	-131.8	-177.2	-25.8	40.5	-23.1	0	0	0	114
144	E	34.9	Very low	32.2	Very low	137 Å²	137	137.9 Å²	137.9	64%	0.64	71%	0.709	S	S	*	*			trans	31.8	127.3	147.3	-65.8	170.9	113	0	0	120.7	K146	E144-K146 IonicContact OE1-NZ 2.66Å; E144-K146 PolarHBondContact OE1-NZ 3.35Å
145	T	35.5	Very low	32.2	Very low	130 Å²	130	142.6 Å²	142.6	80%	0.798	71%	0.707	S	S	*	*			cis	61	105.1	18.1	75.1	0	0	0	0	118.2
146	K	30.8	Very low	31.8	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	71%	0.707	S	S	*	*			trans	-165.4	135.9	144.3	-103.5	142.1	-168.2	165.1	0	111.7	E144	E144-K146 IonicContact OE1-NZ 2.66Å; E144-K146 PolarHBondContact OE1-NZ 3.35Å
147	A	28.8	Very low	31.6	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	71%	0.708	S	S	*	*			trans	-131.2	148.4	171.6	0	0	0	0	0	110.4
148	K	33.1	Very low	31.3	Very low	175 Å²	175	142.1 Å²	142.1	76%	0.761	71%	0.712	S	S	*	*			trans	41.2	94.2	156.6	-63.6	-179.2	177	-180	0	118.3
149	K	29	Very low	31.3	Very low	187 Å²	187	140.1 Å²	140.1	81%	0.813	72%	0.715	S	S	*	*				178.2	174.7	127.1	-99.6	168.3	-178.6	-176.4	0	110.5
150	I	29.6	Very low	31.3	Very low	162 Å²	162	138.4 Å²	138.4	83%	0.831	72%	0.716	S	S	*	*			trans	85.2	95.7	-168	-55.5	171.4	0	0	0	110.1
151	S	28.1	Very low	31	Very low	74 Å²	74	134.7 Å²	134.7	52%	0.517	71%	0.713	S	S	.	*				74.5	99.9	73.7	176.1	0	0	0	0	113.7
152	S	28.8	Very low	31	Very low	47 Å²	47	130.5 Å²	130.5	33%	0.329	72%	0.715	S	S	.	*			trans	-6.2	135.1	154	62	0	0	0	0	118.7	K276	S152-K276 WeakPolarHBondContact OG-CD 3.41Å; S152-K276 PolarHBondContact OG-NZ 2.69Å
153	D	27.3	Very low	31	Very low	118 Å²	118	129 Å²	129	63%	0.631	72%	0.717	S	S	*	*				-108.7	120.3	121.6	-166.4	-0.9	0	0	0	109.3	R155	D153-R155 WeakPolarHBondContact OD1-CG 3.45Å; D153-R155 IonicContact OD1-NE 2.65Å; D153-R155 WeakPolarHBondContact OD2-CD 3.38Å; D153-R155 IonicContact OD2-CZ 2.7Å; D153-R155 IonicContact OD2-NE 3.84Å; D153-R155 PolarHBondContact OD2-NE 3.27Å; D153-R155 IonicContact OD2-NH2 3.58Å
154	S	29.6	Very low	30.6	Very low	79 Å²	79	133.7 Å²	133.7	55%	0.552	72%	0.721	S	S	*	*			trans	-110.8	77.1	175	-58.9	0	0	0	0	108.2	S156	S154-S156 PolarHBondContact O-N 3.23Å; S154-S156 PolarHBondContact O-OG 2.87Å
155	R	29.4	Very low	30.7	Very low	190 Å²	190	132.7 Å²	132.7	72%	0.717	73%	0.726	S	S	*	*			trans	-77.5	49.6	172.9	-85	174.2	-161.7	-139.4	-4	113.5	D153 R157	D153-R155 WeakPolarHBondContact OD1-CG 3.45Å; D153-R155 IonicContact OD1-NE 2.65Å; D153-R155 WeakPolarHBondContact OD2-CD 3.38Å; D153-R155 IonicContact OD2-CZ 2.7Å; D153-R155 IonicContact OD2-NE 3.84Å; D153-R155 PolarHBondContact OD2-NE 3.27Å; D153-R155 IonicContact OD2-NH2 3.58Å; R155-R157 PolarHBondContact O-N 2.9Å
156	S	29.1	Very low	30.5	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	72%	0.715	S	S	*	*			trans	-58.6	98.7	146.9	47.4	0	0	0	0	109.1	S154	S154-S156 PolarHBondContact O-N 3.23Å; S154-S156 PolarHBondContact O-OG 2.87Å
157	R	27.6	Very low	30.6	Very low	214 Å²	214	129 Å²	129	81%	0.808	71%	0.71	S	S	*	*			trans	-111.7	64.9	170.5	-86.7	-167.3	168.1	-166.7	-3.3	111.8	R155	R155-R157 PolarHBondContact O-N 2.9Å
158	S	29.3	Very low	30.7	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	71%	0.712	S	S	*	*			trans	-170.3	111.6	158	-79.6	0	0	0	0	104.8
159	P	32	Very low	30.7	Very low	108 Å²	108	127.3 Å²	127.3	70%	0.701	71%	0.708	S	S	*	*			cis	-126.2	158.1	47.5	39.2	-27.9	0	0	0	115.3
160	H	33	Very low	30.9	Very low	180 Å²	180	123 Å²	123	83%	0.833	70%	0.701	S	S	*	*				170.7	125.7	120.5	-94.8	-71.9	0	0	0	110.7
161	S	29.2	Very low	31.3	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	70%	0.697	S	S	*	*			trans	-77.3	148.3	148.7	-51.2	0	0	0	0	107.4
162	P	32.4	Very low	31.7	Very low	135 Å²	135	123.4 Å²	123.4	88%	0.877	71%	0.708	S	S	*	*				-137	-177	53	40.2	-23.4	0	0	0	115.3
163	G	33.3	Very low	32	Very low	77 Å²	77	125.2 Å²	125.2	79%	0.794	72%	0.721	S	S	*	*			trans	115.1	109.6	162.5	0	0	0	0	0	116.8
164	R	32.8	Very low	32.5	Very low	200 Å²	200	129.4 Å²	129.4	76%	0.755	73%	0.728	S	S	*	*			trans	-85.1	163.8	147.8	-108.6	-177.4	170.2	-145.2	-5.4	107.8	I166	R164-I166 HydrophobicContact CG-CG1 4.42Å
165	P	36.3	Very low	33	Very low	116 Å²	116	133 Å²	133	75%	0.753	74%	0.736	S	S	*	*			cis	-117.9	155.7	35.8	5.1	21	0	0	0	114.7
166	I	30.9	Very low	33.2	Very low	108 Å²	108	131.4 Å²	131.4	55%	0.554	74%	0.736	S	S	*	*				67.3	102.1	74.7	-51	167.3	0	0	0	114.2	R164	R164-I166 HydrophobicContact CG-CG1 4.42Å
167	N	33.6	Very low	33.3	Very low	129 Å²	129	129.4 Å²	129.4	69%	0.69	73%	0.731	S	S	*	*			trans	155	119.1	144.8	-84.9	-24.6	0	0	0	108.3
168	N	29.8	Very low	33.8	Very low	148 Å²	148	127 Å²	127	79%	0.791	73%	0.726	S	S	*	*				74.6	127.5	88.9	-64.7	-2.2	0	0	0	111.9
169	A	33.9	Very low	33.9	Very low	82 Å²	82	130.9 Å²	130.9	68%	0.678	73%	0.732	S	S	*	*			cis	-158.6	177.8	4.6	0	0	0	0	0	113.5
170	S	33.5	Very low	34.1	Very low	97 Å²	97	132.6 Å²	132.6	68%	0.678	74%	0.735	S	S	*	*			trans	75.4	125.1	139.7	-67.1	0	0	0	0	122.4
171	T	36.6	Very low	34	Very low	122 Å²	122	133.3 Å²	133.3	75%	0.748	74%	0.739	S	S	*	*			trans	69.4	138.8	133.8	58.1	0	0	0	0	119.7
172	T	37.4	Very low	34.2	Very low	121 Å²	121	132.9 Å²	132.9	74%	0.742	74%	0.736	S	S	*	*			cis	-154.8	145.6	-3.5	7.5	0	0	0	0	108.2
173	S	36	Very low	34.2	Very low	85 Å²	85	135 Å²	135	59%	0.594	73%	0.734	S	S	*	*				51.1	130.5	89.7	-143.4	0	0	0	0	113.9
174	R	36	Very low	34.3	Very low	206 Å²	206	136.2 Å²	136.2	78%	0.777	73%	0.725	S	S	*	*			cis	-135.1	156.4	28.7	-106.9	101.3	-176.7	-149.2	-2.4	111.8
175	Q	41	Very low	34.2	Very low	156 Å²	156	133.9 Å²	133.9	73%	0.729	73%	0.728	S	S	*	*				53.8	142.2	77	-50.9	175.1	-35.1	0	0	113.5
176	H	32.6	Very low	34.1	Very low	155 Å²	155	133.4 Å²	133.4	72%	0.718	73%	0.727	S	S	*	*			cis	-134.5	-172.2	2.9	-148.9	-139.4	0	0	0	107.9
177	G	33.1	Very low	34.2	Very low	57 Å²	57	134 Å²	134	59%	0.588	74%	0.74	S	S	*	*			cis	-155.5	-134.4	9	0	0	0	0	0	115.5
178	K	36.9	Very low	34.2	Very low	163 Å²	163	132.7 Å²	132.7	71%	0.709	74%	0.741	S	S	*	*			trans	-163.2	138.7	-152.2	-61.4	174	-176	170.9	0	113.2
179	E	31.9	Very low	34.5	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	75%	0.747	S	S	*	*			trans	-141.6	128.7	133.4	-61.7	-169.8	133.2	0	0	103
180	L	35.5	Very low	34.5	Very low	144 Å²	144	137.1 Å²	137.1	75%	0.754	75%	0.752	S	S	*	*				54.4	132.5	50.7	-93.1	69.8	0	0	0	111.5
181	E	31.4	Very low	34.7	Very low	195 Å²	195	142.2 Å²	142.2	91%	0.911	76%	0.756	S	S	*	*			cis	-113.5	162.5	32.3	-56.3	-173.5	106	0	0	116.7
182	S	32.7	Very low	34.7	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	75%	0.753	S	S	*	*			trans	-163	103.5	161.2	62.8	0	0	0	0	110.5
183	H	34.2	Very low	34.7	Very low	179 Å²	179	143.8 Å²	143.8	83%	0.829	75%	0.751	S	S	*	*			trans	-179.9	152.8	168.7	-118.3	-125.5	0	0	0	107.3
184	V	33.8	Very low	34.8	Very low	102 Å²	102	144.9 Å²	144.9	62%	0.618	75%	0.75	S	S	*	*			cis	-156.2	160.3	-30.7	-101.8	0	0	0	0	105.4
185	D	30.6	Very low	34.9	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	75%	0.748	S	S	*	*			trans	-136	134.2	148.3	-129.6	-37.6	0	0	0	110.6
186	S	35.4	Very low	34.8	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	75%	0.746	S	S	*	*			trans	-163.9	96.8	-175	-78.7	0	0	0	0	111.1	S188	S186-S188 PolarHBondContact O-N 3.46Å; S186-S188 VanDerWaalsContact O-N 3.16Å
187	C	32	Very low	34.8	Very low	121 Å²	121	140.6 Å²	140.6	82%	0.818	75%	0.749	S	S	*	*			trans	-79.7	97.5	-179.6	-78.8	0	0	0	0	113.1
188	S	34.5	Very low	34.9	Very low	101 Å²	101	145.9 Å²	145.9	71%	0.706	76%	0.759	S	S	*	*				56.8	119.8	129.9	-55.4	0	0	0	0	120.9	S186	S186-S188 PolarHBondContact O-N 3.46Å; S186-S188 VanDerWaalsContact O-N 3.16Å
189	R	35.5	Very low	34.9	Very low	248 Å²	248	142 Å²	142	94%	0.936	75%	0.752	S	S	*	*				176	115.2	108.7	-95.3	160.4	174	153.6	-1.1	115.5
190	G	34.4	Very low	35.2	Very low	75 Å²	75	137.6 Å²	137.6	77%	0.773	74%	0.743	S	S	*	*			trans	77.8	158.4	154.1	0	0	0	0	0	117.9
191	R	36.5	Very low	35.3	Very low	205 Å²	205	137.2 Å²	137.2	77%	0.774	74%	0.741	S	S	*	*			cis	-166.5	128.4	-2.9	-130.1	-168.7	161.4	158.1	0.1	111.2
192	H	38.2	Very low	35.5	Very low	145 Å²	145	136.1 Å²	136.1	67%	0.671	73%	0.733	S	S	*	*			trans	61.4	160.5	159.4	-57.4	-54.3	0	0	0	118
193	N	37.4	Very low	35.6	Very low	131 Å²	131	137.1 Å²	137.1	70%	0.701	74%	0.735	S	S	*	*			cis	-168.8	164.2	-18.2	-107.2	32.5	0	0	0	105.9
194	N	38.3	Very low	35.9	Very low	108 Å²	108	134.3 Å²	134.3	58%	0.578	73%	0.73	S	S	*	*			cis	-157.4	169.1	-7.9	-143.7	58.3	0	0	0	108.9
195	H	36.2	Very low	35.9	Very low	160 Å²	160	137.2 Å²	137.2	74%	0.741	74%	0.742	S	S	*	*			trans	65.6	143.7	170.3	-59.8	-64.9	0	0	0	117.8
196	S	39.2	Very low	36.3	Very low	96 Å²	96	133.4 Å²	133.4	67%	0.671	74%	0.739	S	S	*	*			cis	-153.8	154	-10.5	44.6	0	0	0	0	111.8
197	E	34.3	Very low	36.3	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	75%	0.745	S	S	*	*			trans	-3.8	146.8	141.9	-71.5	126.6	-173.8	0	0	118.3
198	E	34.5	Very low	36.7	Very low	168 Å²	168	139 Å²	139	79%	0.785	74%	0.744	S	S	*	*			cis	-150.4	141.6	13.2	-121	-155.2	97.5	0	0	109.3
199	S	35.9	Very low	36.8	Very low	82 Å²	82	143.7 Å²	143.7	57%	0.573	75%	0.747	S	S	*	*				91.2	139.3	93.8	-168.8	0	0	0	0	115.3
200	S	37.9	Very low	36.9	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	74%	0.738	S	S	*	*			trans	53.4	139.2	153.3	-60.6	0	0	0	0	120.6
201	L	38.1	Very low	36.8	Very low	136 Å²	136	144 Å²	144	71%	0.712	73%	0.734	S	S	*	*			cis	167.1	141.1	-13	-114	168.5	0	0	0	104.5
202	K	36.6	Very low	36.8	Very low	173 Å²	173	139.1 Å²	139.1	75%	0.752	73%	0.731	S	S	*	*			trans	72.8	148.1	157.5	-58	168.7	-179.7	177.2	0	121
203	T	34.4	Very low	36.8	Very low	123 Å²	123	138.3 Å²	138.3	76%	0.755	74%	0.742	S	S	*	*			trans	73.1	122.2	138.2	44.7	0	0	0	0	123.1
204	V	39.3	Very low	36.7	Very low	119 Å²	119	135.4 Å²	135.4	72%	0.721	74%	0.743	S	S	*	*				87.6	122.9	126.3	169.1	0	0	0	0	120.1
205	D	35.4	Very low	36.6	Very low	164 Å²	164	136 Å²	136	88%	0.877	76%	0.756	S	S	*	*			trans	52.1	170.2	156.3	-69.6	-35	0	0	0	120.8
206	G	38.1	Very low	36.9	Very low	72 Å²	72	133.1 Å²	133.1	74%	0.742	75%	0.753	S	S	*	*			trans	143.9	74.2	174.6	0	0	0	0	0	115.3
207	H	36.2	Very low	37.1	Very low	187 Å²	187	135.2 Å²	135.2	87%	0.866	76%	0.757	S	S	*	*			trans	-77.1	-171.9	156.1	-74.8	-56.5	0	0	0	110.7
208	I	39.3	Very low	37.2	Very low	157 Å²	157	135 Å²	135	81%	0.805	76%	0.756	S	S	*	*			trans	83.5	103.2	177.1	-51.2	164.1	0	0	0	111.2
209	R	37.7	Very low	37.3	Very low	199 Å²	199	135.5 Å²	135.5	75%	0.751	76%	0.758	S	S	*	*				76.6	129.4	58.3	-74.1	-175.1	169.6	-178.7	-0.9	114.4
210	R	36.1	Very low	37.5	Very low	198 Å²	198	137.1 Å²	137.1	75%	0.747	77%	0.765	S	S	*	*			trans	80.7	135.5	141.4	-78.6	175.9	180	171.9	-3.4	120.7
211	N	34.3	Very low	37.6	Very low	131 Å²	131	137.6 Å²	137.6	70%	0.701	76%	0.764	S	S	*	*			trans	79.6	109.3	132	-70.4	24.7	0	0	0	121.8
212	S	35.4	Very low	37.7	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	77%	0.768	S	S	*	*				81.9	156.6	115.9	-56.1	0	0	0	0	120.1
213	S	38	Very low	37.8	Very low	129 Å²	129	135.1 Å²	135.1	90%	0.902	76%	0.76	S	S	*	*			trans	65.8	144.3	-174.6	73.8	0	0	0	0	115.6
214	G	34.8	Very low	37.9	Very low	70 Å²	70	136 Å²	136	72%	0.722	76%	0.76	S	S	*	*			cis	165.2	168.3	-14.7	0	0	0	0	0	115.1
215	S	37	Very low	37.8	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	76%	0.757	S	S	*	*			trans	75.8	163.2	159	-146.2	0	0	0	0	119.3
216	S	43.1	Very low	37.9	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	75%	0.751	S	S	*	*			trans	64.8	132.5	-174.7	68.7	0	0	0	0	116.9
217	N	42	Very low	37.8	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	75%	0.752	S	S	*	*			cis	-148	167	-9.2	-105.2	3.9	0	0	0	111.7
218	E	37	Very low	37.9	Very low	164 Å²	164	131.6 Å²	131.6	77%	0.766	74%	0.74	S	S	*	*			trans	-36.5	164.5	159.2	-68.5	149.8	170.2	0	0	116
219	E	37.2	Very low	37.9	Very low	179 Å²	179	134.2 Å²	134.2	84%	0.836	74%	0.74	S	S	*	*			cis	-150.8	176.8	7.5	-137.2	178	164.2	0	0	114.2
220	V	39.8	Very low	37.9	Very low	116 Å²	116	135.2 Å²	135.2	70%	0.703	74%	0.743	S	S	*	*			trans	-80.6	152	179.7	-179.5	0	0	0	0	111.3
221	T	40.9	Very low	37.9	Very low	111 Å²	111	131.5 Å²	131.5	68%	0.681	74%	0.738	S	S	*	*				164.8	139	124.6	41.1	0	0	0	0	115.1
222	H	39.5	Very low	38.4	Very low	171 Å²	171	133.1 Å²	133.1	79%	0.792	74%	0.739	S	S	*	*			trans	42.8	146.4	137.6	-54.1	-35.7	0	0	0	122.2
223	S	39.3	Very low	38.5	Very low	85 Å²	85	137 Å²	137	59%	0.594	74%	0.74	S	S	*	*			cis	-179.9	155.1	-8.2	54.2	0	0	0	0	111.2
224	N	36.3	Very low	38.5	Very low	142 Å²	142	137.5 Å²	137.5	76%	0.759	73%	0.727	S	S	*	*			trans	65.2	153.4	143.4	-65.8	-7.5	0	0	0	119.1
225	T	37.2	Very low	38.7	Very low	106 Å²	106	140.6 Å²	140.6	65%	0.65	73%	0.727	S	S	*	*			cis	-170	160.2	-9.4	24.3	0	0	0	0	111.5
226	I	35.9	Very low	38.7	Very low	147 Å²	147	139.2 Å²	139.2	75%	0.754	72%	0.717	S	S	*	*			trans	76.9	110.1	137.3	-74.8	165.7	0	0	0	121.8
227	S	36.9	Very low	38.3	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	73%	0.725	S	S	*	*				88.2	112.1	126.1	-80	0	0	0	0	126.5
228	S	38.3	Very low	38.1	Very low	88 Å²	88	140.4 Å²	140.4	62%	0.615	72%	0.717	S	S	*	*				105.6	152.3	99.4	-160.7	0	0	0	0	121.5
229	R	38.6	Very low	38.1	Very low	213 Å²	213	141 Å²	141	80%	0.804	72%	0.719	S	S	*	*			trans	80.3	141.6	163.1	-72.2	135.5	-164.9	-144.7	0.4	117.3
230	R	37.5	Very low	38.1	Very low	219 Å²	219	141 Å²	141	83%	0.826	72%	0.717	S	S	*	*			cis	-157.2	158.9	4	166.4	176.5	-76.1	150.3	-8.6	113.6
231	N	37.8	Very low	37.9	Very low	121 Å²	121	144.8 Å²	144.8	65%	0.647	72%	0.72	S	S	*	*			trans	-85.1	160	-164.8	-53.4	2.3	0	0	0	119.5	Y233	N231-Y233 HydrophobicContact CB-CD2 3.87Å; N231-Y233 HydrophobicContact CB-CE2 4.11Å; N231-Y233 WeakPolarHBondContact ND2-CE2 3.39Å
232	K	43.8	Very low	37.4	Very low	165 Å²	165	145.8 Å²	145.8	72%	0.717	72%	0.721	S	S	*	*				-157.1	150.7	119.9	-123.1	-149.1	173.7	-153	0	109	H234	K232-H234 PolarHBondContact NZ-CD2 3.45Å; K232-H234 PolarHBondContact NZ-NE2 2.95Å
233	Y	37.8	Very low	37	Very low	184 Å²	184	144.7 Å²	144.7	72%	0.722	72%	0.721	S	S	*	*			cis	93.5	90.6	3.6	-70.2	-112.3	0	0	0	120.2	N231	N231-Y233 HydrophobicContact CB-CD2 3.87Å; N231-Y233 HydrophobicContact CB-CE2 4.11Å; N231-Y233 WeakPolarHBondContact ND2-CE2 3.39Å
234	H	38.6	Very low	36.6	Very low	138 Å²	138	150.7 Å²	150.7	64%	0.639	73%	0.73	S	S	*	*			trans	-165.4	124.4	133.8	-93.9	-69.5	0	0	0	107	K232	K232-H234 PolarHBondContact NZ-CD2 3.45Å; K232-H234 PolarHBondContact NZ-NE2 2.95Å
235	D	38	Very low	36.4	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	72%	0.723	S	S	*	*				73.8	135.5	92.1	-66.7	-2	0	0	0	114
236	S	37.6	Very low	36	Very low	91 Å²	91	155.5 Å²	155.5	64%	0.636	73%	0.732	S	S	*	*			cis	-162.4	157.9	-4.1	-96.5	0	0	0	0	112
237	E	35.2	Very low	35.9	Very low	182 Å²	182	154.5 Å²	154.5	85%	0.85	73%	0.726	S	S	*	*			trans	61.6	162.2	155.8	-70	172.5	-177	0	0	119.9
238	S	37.5	Very low	35.7	Very low	84 Å²	84	157.6 Å²	157.6	59%	0.587	73%	0.729	S	S	*	*			cis	-164.6	163.3	-32.7	60	0	0	0	0	110.7
239	H	36.7	Very low	35.5	Very low	175 Å²	175	159.3 Å²	159.3	81%	0.81	74%	0.74	S	S	*	*			trans	55.3	136.2	172.4	-55.7	-77.6	0	0	0	118.8
240	K	36.9	Very low	35.3	Very low	180 Å²	180	159.4 Å²	159.4	78%	0.783	74%	0.741	S	S	*	*			cis	82.3	113.9	25.6	-77	-167.4	174	-179.4	0	118.2
241	Y	35.4	Very low	34.9	Very low	195 Å²	195	154.9 Å²	154.9	77%	0.765	73%	0.733	S	S	*	*			trans	85.9	133	154.7	-77.6	-69.2	0	0	0	122.3
242	N	31.4	Very low	34.6	Very low	133 Å²	133	157.2 Å²	157.2	71%	0.711	74%	0.738	S	S	*	*			trans	78	115.9	142.6	-69.4	-16.3	0	0	0	122.2
243	N	30.2	Very low	34	Very low	147 Å²	147	157.1 Å²	157.1	79%	0.786	75%	0.745	S	S	*	*			trans	61.3	138.2	131.1	-94.1	-16.8	0	0	0	121.5
244	R	31.4	Very low	33.7	Very low	212 Å²	212	157 Å²	157	80%	0.8	75%	0.751	S	S	*	*			trans	68	157.3	160	-61.6	175.5	118.5	140.7	7.5	116.3
245	E	31	Very low	33.9	Very low	131 Å²	131	159.8 Å²	159.8	61%	0.612	76%	0.764	S	S	*	*			cis	-155.9	130.3	-33.3	-114.8	176.1	113.6	0	0	106.4
246	R	30.1	Very low	33.5	Very low	218 Å²	218	157.9 Å²	157.9	82%	0.823	76%	0.761	S	S	*	*			trans	69.8	164.1	170.4	-135.5	-176.1	-76.3	154.7	-4	115.3
247	I	33.9	Very low	33.1	Very low	125 Å²	125	159.6 Å²	159.6	64%	0.641	76%	0.763	S	S	*	*			trans	66.9	94.6	158.5	-55.5	169	0	0	0	118.2
248	H	33.2	Very low	32.8	Very low	174 Å²	174	161.5 Å²	161.5	81%	0.806	76%	0.762	S	S	*	*			trans	61.6	150.4	145.5	-50.6	-34.8	0	0	0	120.3
249	S	33.8	Very low	32.7	Very low	123 Å²	123	163.1 Å²	163.1	86%	0.86	77%	0.774	S	S	*	*			cis	-110.9	163.2	2.1	-162.6	0	0	0	0	112.4
250	R	32.8	Very low	32.4	Very low	215 Å²	215	159.2 Å²	159.2	81%	0.811	77%	0.765	S	S	*	*			trans	-123.6	136.9	-162	-89.6	-171.9	168	158.3	-5.9	116.1
251	D	31	Very low	32.2	Very low	125 Å²	125	159.8 Å²	159.8	67%	0.668	77%	0.768	S	S	*	*			trans	52.9	113.5	139	-63.4	-69.2	0	0	0	121.7
252	K	30.3	Very low	32.2	Very low	170 Å²	170	155.6 Å²	155.6	74%	0.739	77%	0.767	S	S	*	*	S	Bend	trans	60.1	99.6	142.9	-62.8	177.7	179.7	173.6	0	119.6	E254	K252-E254 VanDerWaalsContact C-N 3.27Å; K252-E254 PolarHBondContact O-N 3.29Å
253	D	31.3	Very low	32.2	Very low	163 Å²	163	159 Å²	159	87%	0.872	78%	0.776	S	S	*	*			trans	47.4	16.4	133	-53.1	-8.7	0	0	0	121
254	E	32.5	Very low	32.4	Very low	180 Å²	180	155.9 Å²	155.9	84%	0.841	77%	0.771	S	S	*	*			trans	-99.7	126.8	174.8	-70	-154.3	148.1	0	0	113.5	K252 S256	K252-E254 VanDerWaalsContact C-N 3.27Å; K252-E254 PolarHBondContact O-N 3.29Å; E254-S256 PolarHBondContact O-N 3.26Å; E254-S256 VanDerWaalsContact O-N 3.16Å
255	H	42.1	Very low	32.7	Very low	197 Å²	197	153.5 Å²	153.5	91%	0.912	77%	0.766	S	S	*	*			trans	-84.1	91.7	-175.5	-74.5	54.1	0	0	0	111.5
256	S	29.3	Very low	33.1	Very low	95 Å²	95	151.1 Å²	151.1	66%	0.664	76%	0.764	S	S	*	*			trans	-105.6	127.7	-175.5	-153.2	0	0	0	0	114.3	E254	E254-S256 PolarHBondContact O-N 3.26Å; E254-S256 VanDerWaalsContact O-N 3.16Å
257	N	29.7	Very low	33.6	Very low	128 Å²	128	146.6 Å²	146.6	68%	0.684	76%	0.76	S	S	*	*			trans	86.5	142.9	137.4	-101	-58.2	0	0	0	123.6
258	R	28.8	Very low	33.9	Very low	221 Å²	221	145.9 Å²	145.9	83%	0.834	76%	0.761	S	S	*	*			trans	76.3	95.9	147.9	-67.1	163.4	-174.9	-165.5	-0.1	121.7
259	S	34.5	Very low	34	Very low	119 Å²	119	143.6 Å²	143.6	83%	0.832	76%	0.755	S	S	*	*				-177.2	147.3	111.5	-92.2	0	0	0	0	111.8
260	C	30.3	Very low	34.1	Very low	93 Å²	93	147.2 Å²	147.2	63%	0.628	75%	0.751	S	S	*	*			cis	-167.3	147.3	-22.5	-145.6	0	0	0	0	109.1
261	K	32.7	Very low	34.4	Very low	192 Å²	192	148.6 Å²	148.6	84%	0.835	76%	0.757	S	S	*	*			trans	67.8	147.3	162.4	-61.6	158.8	-173	177.5	0	116.5
262	S	35.3	Very low	34.6	Very low	106 Å²	106	148 Å²	148	74%	0.741	76%	0.758	S	S	*	*			cis	-165.2	158.1	-7.4	41	0	0	0	0	113.7
263	F	31.9	Very low	35.1	Very low	205 Å²	205	144.3 Å²	144.3	90%	0.899	75%	0.749	S	S	*	*			trans	82.2	157.2	159	-112.7	-103.5	0	0	0	120.3
264	A	34.3	Very low	35.6	Very low	82 Å²	82	141.1 Å²	141.1	68%	0.678	73%	0.732	S	S	*	*			trans	-160.1	-168.1	-151.1	0	0	0	0	0	114
265	K	37.8	Very low	36.1	Very low	162 Å²	162	138.9 Å²	138.9	70%	0.704	72%	0.721	S	S	*	*			trans	88.9	138.7	-175.4	-65.7	-172.7	175.6	-179.1	0	115.1	H509	K265-H509 PolarHBondContact NZ-O 3.37Å
266	S	39.5	Very low	36.1	Very low	81 Å²	81	136.2 Å²	136.2	57%	0.566	71%	0.707	S	S	*	*			cis	-172.9	152	-11.3	47.9	0	0	0	0	112.8
267	V	41.2	Very low	36.7	Very low	122 Å²	122	136.1 Å²	136.1	74%	0.739	71%	0.705	S	S	*	*			trans	68.7	130.1	141.4	162.4	0	0	0	0	117.8
268	T	40.8	Very low	37.4	Very low	110 Å²	110	139 Å²	139	68%	0.675	71%	0.706	S	S	*	*			cis	-151.6	166.7	4.1	3	0	0	0	0	114.8
269	D	35.1	Very low	38.1	Very low	126 Å²	126	131.5 Å²	131.5	67%	0.674	70%	0.698	S	S	*	*			trans	70.6	77.7	148.2	-63.7	-27.4	0	0	0	123.7
270	Y	35.3	Very low	38.8	Very low	199 Å²	199	131.9 Å²	131.9	78%	0.78	70%	0.695	S	S	*	*				34.8	139.4	107.5	-65	-72.4	0	0	0	120.2
271	R	38.3	Very low	39.8	Very low	245 Å²	245	135.4 Å²	135.4	93%	0.925	70%	0.695	S	S	*	*			cis	-145.4	144.9	46.8	-73.3	173.8	170.8	158.4	-2.5	114.1
272	V	35.7	Very low	41	Very low	113 Å²	113	131.2 Å²	131.2	69%	0.685	69%	0.69	S	S	*	*			trans	-97.1	138.1	-173.5	175.9	0	0	0	0	113.2
273	V	40.6	Very low	43	Very low	92 Å²	92	134.8 Å²	134.8	56%	0.558	69%	0.687	S	S	*	*			trans	-146	136	154.9	-168.2	0	0	0	0	111.1
274	D	41.5	Very low	45.6	Very low	96 Å²	96	132.2 Å²	132.2	51%	0.513	67%	0.672	S	S	.	*			trans	53.1	101.6	166.5	-88.6	-62.7	0	0	0	121.3	K276	D274-K276 VanDerWaalsContact C-N 3.32Å; D274-K276 PolarHBondContact O-N 3.08Å
275	E	43.8	Very low	48.2	Very low	132 Å²	132	128.4 Å²	128.4	62%	0.617	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-81.8	-3.4	169.4	-61.3	-159.7	79	0	0	114.7	C277 R278	E275-C277 PolarHBondContact O-N 3.14Å; E275-C277 VanDerWaalsContact O-N 3.17Å; E275-R278 IonicContact OE1-CZ 2.71Å; E275-R278 IonicContact OE1-NE 3.22Å; E275-R278 PolarHBondContact OE1-NE 3.41Å; E275-R278 IonicContact OE1-NH2 3.66Å; E275-R278 PolarHBondContact OE1-NH2 2.89Å
276	K	41.6	Very low	50.5	Low	142 Å²	142	125.8 Å²	125.8	62%	0.617	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-73.7	-6.1	-171.3	-125.2	168.4	-176.3	168.9	0	115.2	S152 D274	S152-K276 WeakPolarHBondContact OG-CD 3.41Å; S152-K276 PolarHBondContact OG-NZ 2.69Å; D274-K276 VanDerWaalsContact C-N 3.32Å; D274-K276 PolarHBondContact O-N 3.08Å
277	C	41.6	Very low	52.6	Low	92 Å²	92	124.3 Å²	124.3	62%	0.622	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-92.7	-2.9	-177.2	-67.3	0	0	0	0	115.1	E275 G279 V280	E275-C277 PolarHBondContact O-N 3.14Å; E275-C277 VanDerWaalsContact O-N 3.17Å; C277-G279 PolarHBondContact O-N 3.47Å; C277-V280 PolarHBondContact O-N 2.97Å
278	R	46.1	Very low	54.9	Low	188 Å²	188	119.2 Å²	119.2	71%	0.709	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-21.5	-174.1	-66.7	-177.5	-171.2	-104.9	11.5	114.3	E275	E275-R278 IonicContact OE1-CZ 2.71Å; E275-R278 IonicContact OE1-NE 3.22Å; E275-R278 PolarHBondContact OE1-NE 3.41Å; E275-R278 IonicContact OE1-NH2 3.66Å; E275-R278 PolarHBondContact OE1-NH2 2.89Å
279	G	43.1	Very low	57	Low	64 Å²	64	116.4 Å²	116.4	66%	0.66	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-27.3	179.6	0	0	0	0	0	116	C277 S282	C277-G279 PolarHBondContact O-N 3.47Å; G279-S282 WeakPolarHBondContact O-CB 3.44Å
280	V	48.6	Very low	59.1	Low	127 Å²	127	116.5 Å²	116.5	77%	0.77	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-86.5	-29.3	-174.4	-177.1	0	0	0	0	112.3	C277 S282	C277-V280 PolarHBondContact O-N 2.97Å; V280-S282 PolarHBondContact O-N 3.47Å; V280-S282 VanDerWaalsContact O-N 3.1Å
281	R	51.4	Low	61.5	Low	168 Å²	168	114.2 Å²	114.2	63%	0.634	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-75	12.7	173.4	-69.1	-175.4	172.5	-178.2	-4.4	113.9	R283	R281-R283 PolarHBondContact O-N 2.93Å
282	S	58.2	Low	63.5	Low	104 Å²	104	103.3 Å²	103.3	73%	0.727	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15.5	-175.6	171.2	0	0	0	0	114.9	G279 V280	G279-S282 WeakPolarHBondContact O-CB 3.44Å; V280-S282 PolarHBondContact O-N 3.47Å; V280-S282 VanDerWaalsContact O-N 3.1Å
283	R	77.4	Confident	65.9	Low	180 Å²	180	101.4 Å²	101.4	68%	0.679	49%	0.491	S	S	*	.	S	Bend	trans	-99.9	132.9	173.8	-70.2	-179.1	-177.5	-100.7	-1.3	110.9	R281 Y302 D303	R281-R283 PolarHBondContact O-N 2.93Å; R283-Y302 HydrophobicContact CB-CD1 3.88Å; R283-Y302 HydrophobicContact CB-CE1 4.21Å; R283-Y302 WeakPolarHBondContact O-CA 3.37Å; R283-Y302 WeakPolarHBondContact O-CB 3.41Å; R283-D303 PolarHBondContact O-N 3.47Å
284	R	85.6	Confident	68.2	Low	152 Å²	152	97.7 Å²	97.7	57%	0.574	47%	0.469	S	S	*	.	B	Isolated β-bridge	trans	-65.7	147.8	169.3	-66.6	-178.1	179.1	-165.1	-4	111	R286 D303	R284-R286 PolarHBondContact O-N 3.28Å; R284-D303 CarbonylContact C-O 3.33Å; R284-D303 WeakPolarHBondContact CA-O 3.19Å
285	C	88.4	Confident	70.3	Confident	2 Å²	2	98.4 Å²	98.4	1%	0.014	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-70.8	125.4	177.8	-178.5	0	0	0	0	110.1	F288 E289 C300 Y302 D303 H304	C285-F288 HydrophobicContact CB-CB 3.78Å; C285-F288 PolarHBondContact O-N 3.08Å; C285-E289 VanDerWaalsContact O-CB 3.22Å; C285-E289 WeakPolarHBondContact O-CB 3.33Å; C285-E289 PolarHBondContact O-N 3.27Å; C285-C300 PolarHBondContact SG-SG 3.18Å; C285-Y302 VanDerWaalsContact CA-CB 3.41Å; C285-D303 PolarHBondContact N-O 3.27Å; C285-H304 WeakPolarHBondContact CB-CD2 3.42Å
286	R	87.5	Confident	72.1	Confident	106 Å²	106	99.4 Å²	99.4	40%	0.4	48%	0.476	S	S	.	.	H	α-helix	trans	-71.5	-39.3	-176.1	-148.6	173.8	178.4	178.9	-0.3	112.4	R284 E289 E290	R284-R286 PolarHBondContact O-N 3.28Å; R286-E289 PolarHBondContact O-N 3.36Å; R286-E290 HydrophobicContact CG-CG 4.43Å; R286-E290 VanDerWaalsContact CG-OE1 3.26Å; R286-E290 WeakPolarHBondContact CG-OE1 3.34Å; R286-E290 IonicContact CZ-OE1 2.69Å; R286-E290 IonicContact NE-OE1 2.79Å; R286-E290 PolarHBondContact NE-OE1 2.9Å; R286-E290 IonicContact NH2-OE1 3.68Å; R286-E290 VanDerWaalsContact O-CB 3.32Å; R286-E290 WeakPolarHBondContact O-CB 3.32Å; R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 3.16Å
287	D	84.2	Confident	74.1	Confident	50 Å²	50	93.2 Å²	93.2	27%	0.267	45%	0.453	S	S	.	.	H	α-helix	trans	-60.4	-47	172.2	-70.1	-76.7	0	0	0	111.4	E289 E290 R291 F293	D287-E289 PolarHBondContact O-N 2.93Å; D287-E290 PolarHBondContact O-N 3.4Å; D287-R291 WeakPolarHBondContact O-CA 3.41Å; D287-R291 WeakPolarHBondContact O-CB 3.47Å; D287-R291 PolarHBondContact O-N 3.47Å; D287-R291 IonicContact OD1-CZ 3.84Å; D287-R291 IonicContact OD1-NH1 2.95Å; D287-R291 PolarHBondContact OD1-NH1 3.03Å; D287-F293 CarbonylContact C-O 3.53Å
288	F	88.2	Confident	76	Confident	16 Å²	16	93.2 Å²	93.2	7%	0.07	45%	0.447	C	S	.	.	H	α-helix	trans	-64.8	-38.4	177.2	-165.7	-93.8	0	0	0	112.5	C285 G292 C294 H304 A308 F621	C285-F288 HydrophobicContact CB-CB 3.78Å; C285-F288 PolarHBondContact O-N 3.08Å; F288-G292 WeakPolarHBondContact CE2-O 3.31Å; F288-G292 WeakPolarHBondContact O-CA 3.46Å; F288-G292 PolarHBondContact O-N 2.86Å; F288-C294 HydrophobicContact CB-CB 4.26Å; F288-C294 HydrophobicContact CD2-CB 4.43Å; F288-H304 HydrophobicContact CD1-CB 3.98Å; F288-H304 WeakPolarHBondContact CD1-O 3.43Å; F288-H304 HydrophobicContact CD2-CB 4.09Å; F288-H304 AromaticContact CD2-CD2 3.91Å; F288-H304 AromaticContact CD2-CG 3.85Å; F288-H304 HydrophobicContact CE1-CB 4.04Å; F288-H304 WeakPolarHBondContact CE1-O 3.44Å; F288-H304 HydrophobicContact CE2-CB 4.15Å; F288-H304 HydrophobicContact CG-CB 4.01Å; F288-H304 AromaticContact CG-CD2 3.67Å; F288-H304 AromaticContact CG-CG 3.9Å; F288-H304 HydrophobicContact CZ-CB 4.13Å; F288-A308 HydrophobicContact CE1-CB 4.37Å; F288-A308 HydrophobicContact CE2-CB 4.15Å; F288-A308 HydrophobicContact CZ-CB 3.72Å; F288-F621 AromaticContact CD1-CE1 3.96Å; F288-F621 HydrophobicContact CD1-CE1 3.96Å; F288-F621 HydrophobicContact CD1-CZ 4.29Å; F288-F621 AromaticContact CE1-CE1 3.68Å; F288-F621 HydrophobicContact CE1-CE1 3.68Å; F288-F621 AromaticContact CE1-CZ 3.81Å; F288-F621 HydrophobicContact CE1-CZ 3.81Å; F288-F621 HydrophobicContact CZ-CE1 4.43Å; F288-F621 HydrophobicContact CZ-CZ 4.11Å
289	E	84.2	Confident	77.7	Confident	51 Å²	51	94.9 Å²	94.9	24%	0.238	45%	0.453	C	S	.	.	H	α-helix	trans	-75.9	-22.9	-179.1	-174.7	168.5	-174.8	0	0	113.8	C285 R286 D287 R561	C285-E289 VanDerWaalsContact O-CB 3.22Å; C285-E289 WeakPolarHBondContact O-CB 3.33Å; C285-E289 PolarHBondContact O-N 3.27Å; R286-E289 PolarHBondContact O-N 3.36Å; D287-E289 PolarHBondContact O-N 2.93Å; E289-R561 IonicContact OE1-CZ 3.14Å; E289-R561 VanDerWaalsContact OE1-CZ 3.22Å; E289-R561 IonicContact OE1-NH1 2.7Å; E289-R561 PolarHBondContact OE1-NH1 3.28Å; E289-R561 IonicContact OE1-NH2 3.45Å; E289-R561 PolarHBondContact OE1-NH2 2.8Å
290	E	81.1	Confident	79.8	Confident	128 Å²	128	92.5 Å²	92.5	60%	0.598	43%	0.426	S	S	*	.	H	α-helix	trans	-105.3	-26.4	179.8	-65.3	176.8	-166.9	0	0	113.5	R286 D287	R286-E290 HydrophobicContact CG-CG 4.43Å; R286-E290 VanDerWaalsContact CG-OE1 3.26Å; R286-E290 WeakPolarHBondContact CG-OE1 3.34Å; R286-E290 IonicContact CZ-OE1 2.69Å; R286-E290 IonicContact NE-OE1 2.79Å; R286-E290 PolarHBondContact NE-OE1 2.9Å; R286-E290 IonicContact NH2-OE1 3.68Å; R286-E290 VanDerWaalsContact O-CB 3.32Å; R286-E290 WeakPolarHBondContact O-CB 3.32Å; R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 3.16Å; D287-E290 PolarHBondContact O-N 3.4Å
291	R	83.9	Confident	81.6	Confident	151 Å²	151	93.8 Å²	93.8	57%	0.57	42%	0.423	S	S	*	.	H	α-helix	trans	-116.6	-14.5	-177	-58.3	170.6	147.9	151.5	-11.2	114.6	D287 F293	D287-R291 WeakPolarHBondContact O-CA 3.41Å; D287-R291 WeakPolarHBondContact O-CB 3.47Å; D287-R291 PolarHBondContact O-N 3.47Å; D287-R291 IonicContact OD1-CZ 3.84Å; D287-R291 IonicContact OD1-NH1 2.95Å; D287-R291 PolarHBondContact OD1-NH1 3.03Å; R291-F293 HydrophobicContact CB-CD1 4.16Å; R291-F293 HydrophobicContact CB-CE1 3.97Å; R291-F293 HydrophobicContact CB-CZ 4.29Å; R291-F293 VanDerWaalsContact O-CD1 3.3Å; R291-F293 WeakPolarHBondContact O-CD1 3.42Å; R291-F293 PolarHBondContact O-N 2.87Å
292	G	81.9	Confident	83.4	Confident	15 Å²	15	91.4 Å²	91.4	16%	0.155	42%	0.415	C	S	.	.	S	Bend	trans	78.2	-6.7	-176.7	0	0	0	0	0	116.6	F288 F621	F288-G292 WeakPolarHBondContact CE2-O 3.31Å; F288-G292 WeakPolarHBondContact O-CA 3.46Å; F288-G292 PolarHBondContact O-N 2.86Å; G292-F621 VanDerWaalsContact CA-CZ 3.42Å
293	F	85.8	Confident	84.7	Confident	73 Å²	73	89.9 Å²	89.9	32%	0.32	40%	0.399	S	S	.	.	S	Bend	trans	-136	160.2	170.8	64.9	-90.8	0	0	0	109.8	D287 R291 V295 I321	D287-F293 CarbonylContact C-O 3.53Å; R291-F293 HydrophobicContact CB-CD1 4.16Å; R291-F293 HydrophobicContact CB-CE1 3.97Å; R291-F293 HydrophobicContact CB-CZ 4.29Å; R291-F293 VanDerWaalsContact O-CD1 3.3Å; R291-F293 WeakPolarHBondContact O-CD1 3.42Å; R291-F293 PolarHBondContact O-N 2.87Å; F293-V295 HydrophobicContact CE2-CG2 4.45Å; F293-I321 HydrophobicContact CD1-CG1 4.14Å; F293-I321 HydrophobicContact CD2-CD1 3.65Å; F293-I321 HydrophobicContact CD2-CG1 4.09Å; F293-I321 HydrophobicContact CE1-CD1 4.38Å; F293-I321 HydrophobicContact CE1-CG1 4.06Å; F293-I321 HydrophobicContact CE2-CD1 3.43Å; F293-I321 VanDerWaalsContact CE2-CD1 3.43Å; F293-I321 HydrophobicContact CE2-CG1 4.01Å; F293-I321 HydrophobicContact CG-CD1 4.22Å; F293-I321 HydrophobicContact CG-CG1 4.16Å; F293-I321 HydrophobicContact CZ-CD1 3.84Å; F293-I321 HydrophobicContact CZ-CG1 3.99Å; F293-I321 HydrophobicContact CZ-CG2 4.38Å
294	C	88.2	Confident	85.2	Confident	15 Å²	15	82.8 Å²	82.8	10%	0.101	37%	0.374	C	S	.	.			trans	-126.1	126.2	177.6	176.4	0	0	0	0	109.4	F288 Y296 G297 H304	F288-C294 HydrophobicContact CB-CB 4.26Å; F288-C294 HydrophobicContact CD2-CB 4.43Å; C294-Y296 PolarHBondContact O-N 3.36Å; C294-Y296 VanDerWaalsContact O-N 3.1Å; C294-G297 PolarHBondContact O-N 3.35Å; C294-H304 VanDerWaalsContact CB-NE2 3.26Å; C294-H304 WeakPolarHBondContact CB-NE2 3.45Å
295	V	85.3	Confident	85.1	Confident	111 Å²	111	76.6 Å²	76.6	67%	0.673	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.8	-178.5	-175.5	0	0	0	0	112.2	F293	F293-V295 HydrophobicContact CE2-CG2 4.45Å
296	Y	83	Confident	84.5	Confident	152 Å²	152	82.9 Å²	82.9	60%	0.596	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.3	177.4	-59.7	-75.1	0	0	0	114.3	C294 D298 R299	C294-Y296 PolarHBondContact O-N 3.36Å; C294-Y296 VanDerWaalsContact O-N 3.1Å; Y296-D298 PolarHBondContact O-N 3Å; Y296-R299 WeakPolarHBondContact O-CA 3.25Å; Y296-R299 VanDerWaalsContact O-CB 3.23Å; Y296-R299 WeakPolarHBondContact O-CB 3.38Å; Y296-R299 PolarHBondContact O-N 3.39Å
297	G	82.3	Confident	83.6	Confident	13 Å²	13	84 Å²	84	13%	0.134	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	51.1	-131.5	-176.6	0	0	0	0	0	112.5	C294 R299 C300 H304	C294-G297 PolarHBondContact O-N 3.35Å; G297-R299 PolarHBondContact O-N 3.12Å; G297-R299 VanDerWaalsContact O-N 3.14Å; G297-C300 WeakPolarHBondContact O-CB 3.29Å; G297-C300 PolarHBondContact O-N 3.49Å; G297-C300 VanDerWaalsContact O-N 3.11Å; G297-H304 PolarHBondContact O-CE1 3.12Å
298	D	81	Confident	83.1	Confident	92 Å²	92	82.7 Å²	82.7	49%	0.492	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-59.9	-19.4	175.2	-66.3	-67.4	0	0	0	114	Y296 C300 V310 S312	Y296-D298 PolarHBondContact O-N 3Å; D298-C300 PolarHBondContact O-N 3.42Å; D298-V310 HydrophobicContact CB-CG1 4.24Å; D298-V310 VanDerWaalsContact CG-CG1 3.41Å; D298-V310 VanDerWaalsContact N-CG1 3.25Å; D298-V310 VanDerWaalsContact OD1-CG1 3.27Å; D298-V310 WeakPolarHBondContact OD1-CG1 3.43Å; D298-S312 VanDerWaalsContact OD2-CA 3.32Å; D298-S312 WeakPolarHBondContact OD2-CA 3.44Å; D298-S312 VanDerWaalsContact OD2-CB 3.23Å; D298-S312 WeakPolarHBondContact OD2-CB 3.42Å; D298-S312 PolarHBondContact OD2-OG 2.98Å
299	R	82.3	Confident	82.2	Confident	223 Å²	223	89.1 Å²	89.1	84%	0.842	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-83.1	1.9	178.9	-49.2	-178.1	178.5	-168.2	-1.6	112.7	Y296 G297	Y296-R299 WeakPolarHBondContact O-CA 3.25Å; Y296-R299 VanDerWaalsContact O-CB 3.23Å; Y296-R299 WeakPolarHBondContact O-CB 3.38Å; Y296-R299 PolarHBondContact O-N 3.39Å; G297-R299 PolarHBondContact O-N 3.12Å; G297-R299 VanDerWaalsContact O-N 3.14Å
300	C	87.2	Confident	81.3	Confident	14 Å²	14	89.3 Å²	89.3	10%	0.095	45%	0.447	C	S	.	.			trans	-68.6	137.5	175.7	-159.5	0	0	0	0	111.5	C285 G297 D298 Y302	C285-C300 PolarHBondContact SG-SG 3.18Å; G297-C300 WeakPolarHBondContact O-CB 3.29Å; G297-C300 PolarHBondContact O-N 3.49Å; G297-C300 VanDerWaalsContact O-N 3.11Å; D298-C300 PolarHBondContact O-N 3.42Å; C300-Y302 VanDerWaalsContact C-N 3.3Å
301	Q	86.2	Confident	80.5	Confident	153 Å²	153	86.1 Å²	86.1	72%	0.715	43%	0.433	S	S	*	.	S	Bend	trans	-83.9	-9.4	177	-61.4	179.1	5.6	0	0	112.8
302	Y	89.2	Confident	79.3	Confident	118 Å²	118	83.9 Å²	83.9	46%	0.463	44%	0.441	S	S	.	.	S	Bend	trans	-109.3	155.1	-175.4	-59.3	-69.3	0	0	0	111.3	R283 C285 C300	R283-Y302 HydrophobicContact CB-CD1 3.88Å; R283-Y302 HydrophobicContact CB-CE1 4.21Å; R283-Y302 WeakPolarHBondContact O-CA 3.37Å; R283-Y302 WeakPolarHBondContact O-CB 3.41Å; C285-Y302 VanDerWaalsContact CA-CB 3.41Å; C300-Y302 VanDerWaalsContact C-N 3.3Å
303	D	86.2	Confident	78.2	Confident	73 Å²	73	85.9 Å²	85.9	39%	0.39	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-73.5	137.4	-177.6	-179.4	33.4	0	0	0	113	R283 R284 C285 G305	R283-D303 PolarHBondContact O-N 3.47Å; R284-D303 CarbonylContact C-O 3.33Å; R284-D303 WeakPolarHBondContact CA-O 3.19Å; C285-D303 PolarHBondContact N-O 3.27Å; D303-G305 VanDerWaalsContact CG-N 3.34Å; D303-G305 PolarHBondContact OD1-N 3.46Å
304	H	88.4	Confident	76.9	Confident	30 Å²	30	86.2 Å²	86.2	14%	0.139	47%	0.469	C	S	.	.			trans	-99.2	-11.1	172.4	-62.2	160.5	0	0	0	112.7	C285 F288 C294 G297 A308	C285-H304 WeakPolarHBondContact CB-CD2 3.42Å; F288-H304 HydrophobicContact CD1-CB 3.98Å; F288-H304 WeakPolarHBondContact CD1-O 3.43Å; F288-H304 HydrophobicContact CD2-CB 4.09Å; F288-H304 AromaticContact CD2-CD2 3.91Å; F288-H304 AromaticContact CD2-CG 3.85Å; F288-H304 HydrophobicContact CE1-CB 4.04Å; F288-H304 WeakPolarHBondContact CE1-O 3.44Å; F288-H304 HydrophobicContact CE2-CB 4.15Å; F288-H304 HydrophobicContact CG-CB 4.01Å; F288-H304 AromaticContact CG-CD2 3.67Å; F288-H304 AromaticContact CG-CG 3.9Å; F288-H304 HydrophobicContact CZ-CB 4.13Å; C294-H304 VanDerWaalsContact CB-NE2 3.26Å; C294-H304 WeakPolarHBondContact CB-NE2 3.45Å; G297-H304 PolarHBondContact O-CE1 3.12Å; H304-A308 HydrophobicContact CB-CB 3.37Å
305	G	82.4	Confident	75.5	Confident	22 Å²	22	91.1 Å²	91.1	23%	0.227	49%	0.488	C	S	.	.			trans	80.6	171.1	-175.8	0	0	0	0	0	113.7	D303 N307 A308	D303-G305 VanDerWaalsContact CG-N 3.34Å; D303-G305 PolarHBondContact OD1-N 3.46Å; G305-N307 VanDerWaalsContact C-N 3.3Å; G305-N307 PolarHBondContact O-N 2.97Å; G305-A308 WeakPolarHBondContact O-CB 3.4Å; G305-A308 PolarHBondContact O-N 3.07Å
306	P	76.5	Confident	74.3	Confident	134 Å²	134	88.8 Å²	88.8	87%	0.87	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.5	-167.3	25.9	-35.2	0	0	0	114.5	A308	P306-A308 VanDerWaalsContact C-N 3.32Å; P306-A308 PolarHBondContact O-N 3.16Å
307	N	67.2	Low	73	Confident	130 Å²	130	82.9 Å²	82.9	70%	0.695	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	22.7	-175.8	-59.2	10.4	0	0	0	112	G305 L309 R620	G305-N307 VanDerWaalsContact C-N 3.3Å; G305-N307 PolarHBondContact O-N 2.97Å; N307-L309 PolarHBondContact O-N 3.4Å; N307-R620 PolarHBondContact O-NH1 3.45Å
308	A	74.5	Confident	71.9	Confident	23 Å²	23	87.1 Å²	87.1	19%	0.19	48%	0.482	C	S	.	.			trans	-81.8	102.6	-180	0	0	0	0	0	111.3	F288 H304 G305 P306 V310	F288-A308 HydrophobicContact CE1-CB 4.37Å; F288-A308 HydrophobicContact CE2-CB 4.15Å; F288-A308 HydrophobicContact CZ-CB 3.72Å; H304-A308 HydrophobicContact CB-CB 3.37Å; G305-A308 WeakPolarHBondContact O-CB 3.4Å; G305-A308 PolarHBondContact O-N 3.07Å; P306-A308 VanDerWaalsContact C-N 3.32Å; P306-A308 PolarHBondContact O-N 3.16Å; A308-V310 HydrophobicContact CB-CG2 4.21Å; A308-V310 WeakPolarHBondContact O-CG2 3.37Å; A308-V310 PolarHBondContact O-N 3.35Å; A308-V310 VanDerWaalsContact O-N 3.1Å
309	L	70.4	Confident	71	Confident	151 Å²	151	85.7 Å²	85.7	79%	0.791	48%	0.48	S	S	*	.			trans	-64.8	106	160.1	-66.5	173.6	0	0	0	107.9	N307	N307-L309 PolarHBondContact O-N 3.4Å
310	V	65	Low	69.7	Low	54 Å²	54	76.7 Å²	76.7	33%	0.327	45%	0.453	S	S	.	.			trans	-98.6	122.7	177.4	-161.3	0	0	0	0	109.1	D298 A308	D298-V310 HydrophobicContact CB-CG1 4.24Å; D298-V310 VanDerWaalsContact CG-CG1 3.41Å; D298-V310 VanDerWaalsContact N-CG1 3.25Å; D298-V310 VanDerWaalsContact OD1-CG1 3.27Å; D298-V310 WeakPolarHBondContact OD1-CG1 3.43Å; A308-V310 HydrophobicContact CB-CG2 4.21Å; A308-V310 WeakPolarHBondContact O-CG2 3.37Å; A308-V310 PolarHBondContact O-N 3.35Å; A308-V310 VanDerWaalsContact O-N 3.1Å
311	I	62.7	Low	68.4	Low	62 Å²	62	78.4 Å²	78.4	32%	0.318	46%	0.461	S	S	.	.			trans	-97.5	102.5	-179.9	-56.6	176.1	0	0	0	107.7	S313 S316 A317 A320	I311-S313 PolarHBondContact O-N 2.88Å; I311-S316 VanDerWaalsContact CG2-CB 3.46Å; I311-S316 VanDerWaalsContact CG2-OG 3.27Å; I311-S316 WeakPolarHBondContact CG2-OG 3.47Å; I311-A317 HydrophobicContact CB-CB 4.5Å; I311-A317 HydrophobicContact CG2-CB 4.4Å; I311-A320 HydrophobicContact CD1-CB 3.71Å
312	S	58.9	Low	66.9	Low	104 Å²	104	73.8 Å²	73.8	73%	0.727	45%	0.449	S	S	*	.	S	Bend	trans	-70	-1.7	-173.4	-47.8	0	0	0	0	115	D298	D298-S312 VanDerWaalsContact OD2-CA 3.32Å; D298-S312 WeakPolarHBondContact OD2-CA 3.44Å; D298-S312 VanDerWaalsContact OD2-CB 3.23Å; D298-S312 WeakPolarHBondContact OD2-CB 3.42Å; D298-S312 PolarHBondContact OD2-OG 2.98Å
313	S	59.3	Low	65.2	Low	56 Å²	56	75.6 Å²	75.6	39%	0.392	46%	0.461	S	S	.	.			trans	-121.5	122.2	177.1	177.4	0	0	0	0	111.4	I311 K315 S316 A317	I311-S313 PolarHBondContact O-N 2.88Å; S313-K315 PolarHBondContact O-N 3.01Å; S313-K315 VanDerWaalsContact O-N 3.12Å; S313-S316 PolarHBondContact O-N 3.47Å; S313-S316 VanDerWaalsContact O-N 3.14Å; S313-A317 PolarHBondContact O-N 3.38Å; S313-A317 VanDerWaalsContact O-N 3.07Å
314	A	57.6	Low	63.5	Low	81 Å²	81	79 Å²	79	67%	0.669	48%	0.478	S	S	*	.	H	α-helix	trans	-56.1	-30.4	178.4	0	0	0	0	0	113.2	A317 V318	A314-A317 PolarHBondContact O-N 3.32Å; A314-V318 WeakPolarHBondContact O-CG2 3.43Å; A314-V318 PolarHBondContact O-N 3.03Å; A314-V318 VanDerWaalsContact O-N 3.11Å
315	K	60.1	Low	61.4	Low	118 Å²	118	81.7 Å²	81.7	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-68.8	-43.5	-179.8	-50.9	-175.2	-172.8	-169.1	0	111.4	D23 S313 A317 V318 S319	D23-K315 IonicContact OD1-NZ 3.28Å; D23-K315 PolarHBondContact OD1-NZ 3.33Å; D23-K315 VanDerWaalsContact OD2-CD 3.31Å; D23-K315 WeakPolarHBondContact OD2-CD 3.49Å; D23-K315 WeakPolarHBondContact OD2-CE 3.28Å; D23-K315 IonicContact OD2-NZ 2.95Å; D23-K315 PolarHBondContact OD2-NZ 3.03Å; S313-K315 PolarHBondContact O-N 3.01Å; S313-K315 VanDerWaalsContact O-N 3.12Å; K315-A317 VanDerWaalsContact C-N 3.35Å; K315-V318 PolarHBondContact O-N 2.98Å; K315-S319 PolarHBondContact O-N 3.18Å
316	S	59.2	Low	59.4	Low	62 Å²	62	87.7 Å²	87.7	43%	0.434	52%	0.524	S	S	.	.	H	α-helix	trans	-70.5	-31.9	175.3	174.5	0	0	0	0	111.8	I311 S313 S319 A320	I311-S316 VanDerWaalsContact CG2-CB 3.46Å; I311-S316 VanDerWaalsContact CG2-OG 3.27Å; I311-S316 WeakPolarHBondContact CG2-OG 3.47Å; S313-S316 PolarHBondContact O-N 3.47Å; S313-S316 VanDerWaalsContact O-N 3.14Å; S316-S319 PolarHBondContact O-N 3.42Å; S316-A320 WeakPolarHBondContact O-CB 3.41Å; S316-A320 PolarHBondContact O-N 3.33Å
317	A	56.3	Low	57.3	Low	28 Å²	28	87 Å²	87	23%	0.231	52%	0.52	C	S	.	.	H	α-helix	trans	-63.4	-42.3	173.2	0	0	0	0	0	112.4	I311 S313 A314 K315 A320 I321	I311-A317 HydrophobicContact CB-CB 4.5Å; I311-A317 HydrophobicContact CG2-CB 4.4Å; S313-A317 PolarHBondContact O-N 3.38Å; S313-A317 VanDerWaalsContact O-N 3.07Å; A314-A317 PolarHBondContact O-N 3.32Å; K315-A317 VanDerWaalsContact C-N 3.35Å; A317-A320 PolarHBondContact O-N 3.08Å; A317-I321 WeakPolarHBondContact O-CD1 3.16Å; A317-I321 WeakPolarHBondContact O-CG1 3.43Å; A317-I321 PolarHBondContact O-N 2.83Å
318	V	59.3	Low	55.6	Low	101 Å²	101	88.4 Å²	88.4	61%	0.612	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-44.1	176.3	172.4	0	0	0	0	111.7	A314 K315 I321 A322	A314-V318 WeakPolarHBondContact O-CG2 3.43Å; A314-V318 PolarHBondContact O-N 3.03Å; A314-V318 VanDerWaalsContact O-N 3.11Å; K315-V318 PolarHBondContact O-N 2.98Å; V318-I321 PolarHBondContact O-N 3.32Å; V318-A322 PolarHBondContact O-N 3.12Å
319	S	61.3	Low	53.9	Low	62 Å²	62	95.1 Å²	95.1	43%	0.434	56%	0.558	S	S	.	*	H	α-helix	trans	-60.3	-46.8	174.6	165.4	0	0	0	0	112.1	K315 S316 I321 A322 H323	K315-S319 PolarHBondContact O-N 3.18Å; S316-S319 PolarHBondContact O-N 3.42Å; S319-I321 VanDerWaalsContact C-N 3.28Å; S319-I321 PolarHBondContact O-N 3.26Å; S319-A322 PolarHBondContact O-N 3.44Å; S319-H323 PolarHBondContact O-CD2 3.49Å; S319-H323 PolarHBondContact O-N 3Å
320	A	56.5	Low	52.2	Low	35 Å²	35	95 Å²	95	29%	0.289	56%	0.558	S	S	.	*	H	α-helix	trans	-62.5	-33.4	177.3	0	0	0	0	0	113.1	I311 S316 A317 L324	I311-A320 HydrophobicContact CD1-CB 3.71Å; S316-A320 WeakPolarHBondContact O-CB 3.41Å; S316-A320 PolarHBondContact O-N 3.33Å; A317-A320 PolarHBondContact O-N 3.08Å; A320-L324 WeakPolarHBondContact O-CD1 3.46Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å
321	I	58.9	Low	50.8	Low	50 Å²	50	98.5 Å²	98.5	26%	0.256	58%	0.58	S	S	.	*	H	α-helix	trans	-69.6	-42.6	174.9	-69.2	160.5	0	0	0	110.8	F293 A317 V318 S319 H323 L324 T325	F293-I321 HydrophobicContact CD1-CG1 4.14Å; F293-I321 HydrophobicContact CD2-CD1 3.65Å; F293-I321 HydrophobicContact CD2-CG1 4.09Å; F293-I321 HydrophobicContact CE1-CD1 4.38Å; F293-I321 HydrophobicContact CE1-CG1 4.06Å; F293-I321 HydrophobicContact CE2-CD1 3.43Å; F293-I321 VanDerWaalsContact CE2-CD1 3.43Å; F293-I321 HydrophobicContact CE2-CG1 4.01Å; F293-I321 HydrophobicContact CG-CD1 4.22Å; F293-I321 HydrophobicContact CG-CG1 4.16Å; F293-I321 HydrophobicContact CZ-CD1 3.84Å; F293-I321 HydrophobicContact CZ-CG1 3.99Å; F293-I321 HydrophobicContact CZ-CG2 4.38Å; A317-I321 WeakPolarHBondContact O-CD1 3.16Å; A317-I321 WeakPolarHBondContact O-CG1 3.43Å; A317-I321 PolarHBondContact O-N 2.83Å; V318-I321 PolarHBondContact O-N 3.32Å; S319-I321 VanDerWaalsContact C-N 3.28Å; S319-I321 PolarHBondContact O-N 3.26Å; I321-H323 VanDerWaalsContact C-N 3.33Å; I321-H323 PolarHBondContact O-N 2.99Å; I321-L324 PolarHBondContact O-N 3.01Å; I321-T325 HydrophobicContact CG2-CG2 4.29Å; I321-T325 PolarHBondContact O-N 3.37Å; I321-T325 PolarHBondContact O-OG1 3.46Å
322	A	54.8	Low	49.4	Very low	55 Å²	55	102.3 Å²	102.3	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-59.5	-41.5	-179.7	0	0	0	0	0	112.7	V318 S319 L324 T325	V318-A322 PolarHBondContact O-N 3.12Å; S319-A322 PolarHBondContact O-N 3.44Å; A322-L324 PolarHBondContact O-N 2.7Å; A322-T325 PolarHBondContact O-N 3.24Å; A322-T325 PolarHBondContact O-OG1 3.14Å
323	H	53.5	Low	48.1	Very low	157 Å²	157	103.2 Å²	103.2	73%	0.727	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-8	175.8	-67.1	-63.9	0	0	0	114.5	S319 I321	S319-H323 PolarHBondContact O-CD2 3.49Å; S319-H323 PolarHBondContact O-N 3Å; I321-H323 VanDerWaalsContact C-N 3.33Å; I321-H323 PolarHBondContact O-N 2.99Å
324	L	50.1	Low	46.6	Very low	143 Å²	143	108.2 Å²	108.2	75%	0.749	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-0.5	-179	-69.6	171.8	0	0	0	113.8	A320 I321 A322	A320-L324 WeakPolarHBondContact O-CD1 3.46Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; I321-L324 PolarHBondContact O-N 3.01Å; A322-L324 PolarHBondContact O-N 2.7Å
325	T	44.4	Very low	45.4	Very low	88 Å²	88	110.1 Å²	110.1	54%	0.54	63%	0.632	S	S	.	*	S	Bend	trans	-112.3	-2.1	-170.9	47.5	0	0	0	0	116.6	I321 A322 P327	I321-T325 HydrophobicContact CG2-CG2 4.29Å; I321-T325 PolarHBondContact O-N 3.37Å; I321-T325 PolarHBondContact O-OG1 3.46Å; A322-T325 PolarHBondContact O-N 3.24Å; A322-T325 PolarHBondContact O-OG1 3.14Å; T325-P327 WeakPolarHBondContact O-CD 3.41Å
326	N	40.6	Very low	44	Very low	147 Å²	147	109 Å²	109	79%	0.786	64%	0.64	S	S	*	*			trans	-111.4	105.2	-179	-72.3	1.7	0	0	0	112.2
327	P	32.7	Very low	42.7	Very low	120 Å²	120	113.5 Å²	113.5	78%	0.779	66%	0.658	S	S	*	*			trans	-110.8	49.4	177.5	41.1	-33.7	0	0	0	112.8	T325	T325-P327 WeakPolarHBondContact O-CD 3.41Å
328	L	32.5	Very low	41.6	Very low	160 Å²	160	119.3 Å²	119.3	84%	0.838	69%	0.692	S	S	*	*			trans	-150.4	93.9	172.2	-77.8	-178.3	0	0	0	110.3
329	L	38.2	Very low	40.4	Very low	163 Å²	163	117.8 Å²	117.8	85%	0.853	70%	0.696	S	S	*	*	S	Bend	trans	-176.2	85.5	151	-106	160.3	0	0	0	109.2
330	D	34.1	Very low	39.2	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	72%	0.715	S	S	*	*			trans	38.4	132.5	148.1	-51.4	-23.3	0	0	0	122.4
331	T	35.1	Very low	38.1	Very low	127 Å²	127	128.5 Å²	128.5	78%	0.779	74%	0.743	S	S	*	*			trans	-68.6	147.8	168	49.2	0	0	0	0	112.7
332	N	34	Very low	37.1	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	77%	0.765	S	S	*	*				-156.6	141.6	124.1	-108.1	-32.7	0	0	0	115.5
333	T	31.5	Very low	36.3	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	78%	0.781	S	S	*	*			trans	48.1	113.5	154.5	55	0	0	0	0	120.9
334	L	27.6	Very low	35.3	Very low	161 Å²	161	135.3 Å²	135.3	84%	0.843	78%	0.78	S	S	*	*			trans	-58.2	145.3	149.8	-66	60.1	0	0	0	110
335	S	31.9	Very low	34.4	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	78%	0.781	S	S	*	*				-177.1	146.3	121	-82.5	0	0	0	0	114.4
336	S	30.7	Very low	33.9	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	79%	0.787	S	S	*	*			trans	-63.4	162.2	-176.5	48.4	0	0	0	0	118.2
337	N	33.8	Very low	33.6	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	79%	0.788	S	S	*	*			trans	78.3	109.2	152.3	-59.1	-12.5	0	0	0	119.6
338	T	32.2	Very low	33.7	Very low	151 Å²	151	137.8 Å²	137.8	93%	0.926	79%	0.785	S	S	*	*			trans	-98.7	116.3	150.4	51.4	0	0	0	0	109
339	G	34.1	Very low	33.6	Very low	68 Å²	68	134.4 Å²	134.4	70%	0.701	78%	0.78	S	S	*	*			trans	-175.4	93.6	-178.8	0	0	0	0	0	113.6
340	D	36.5	Very low	33.5	Very low	156 Å²	156	131.4 Å²	131.4	83%	0.834	77%	0.773	S	S	*	*			trans	65.8	119.9	154.1	-63	-28.5	0	0	0	123.1
341	L	34	Very low	33.5	Very low	167 Å²	167	133.2 Å²	133.2	87%	0.874	77%	0.773	S	S	*	*			trans	86.2	139.3	145.5	-63.9	168.2	0	0	0	121
342	P	37.8	Very low	33.2	Very low	112 Å²	112	132.4 Å²	132.4	73%	0.727	77%	0.773	S	S	*	*			trans	-110	163.5	-177.3	41.5	-34.4	0	0	0	114.2
343	M	36.5	Very low	33.1	Very low	160 Å²	160	130.4 Å²	130.4	79%	0.788	77%	0.77	S	S	*	*				-168.9	114.5	129.3	-107.5	-166.9	77.6	0	0	114.3
344	N	32.6	Very low	33	Very low	132 Å²	132	130.7 Å²	130.7	71%	0.706	77%	0.772	S	S	*	*				62.5	158.2	120.7	-153.5	15.1	0	0	0	122.4
345	I	32.4	Very low	33.4	Very low	148 Å²	148	131 Å²	131	76%	0.759	77%	0.773	S	S	*	*			trans	72.2	99.9	163.9	-41.6	-175.4	0	0	0	117.6
346	G	32.9	Very low	33.6	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	77%	0.773	S	S	*	*				130.7	89.7	102.9	0	0	0	0	0	121.6
347	K	35.7	Very low	33.9	Very low	184 Å²	184	134.5 Å²	134.5	80%	0.8	78%	0.775	S	S	*	*				75.2	154.3	114.7	-123.6	172	173.4	-84	0	121.6
348	E	33.7	Very low	34.1	Very low	152 Å²	152	136 Å²	136	71%	0.71	78%	0.778	S	S	*	*			trans	72.7	147	169.5	-51.1	-52.1	139.8	0	0	118.6
349	A	30.8	Very low	34.2	Very low	89 Å²	89	134.3 Å²	134.3	74%	0.736	77%	0.772	S	S	*	*			trans	-150.6	141.9	-178.9	0	0	0	0	0	111
350	S	35.8	Very low	34.2	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	78%	0.779	S	S	*	*			trans	-176.8	126.6	147.4	-90.9	0	0	0	0	114.8
351	K	33.7	Very low	34.1	Very low	187 Å²	187	138 Å²	138	81%	0.813	77%	0.77	S	S	*	*				55.8	127.8	129.5	-57.3	174.6	-177.1	174.7	0	121.4
352	S	30.2	Very low	34.1	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	77%	0.766	S	S	*	*				100.4	149.3	125.9	70.7	0	0	0	0	122.2
353	S	31.7	Very low	33.8	Very low	101 Å²	101	134 Å²	134	71%	0.706	77%	0.77	S	S	*	*			trans	67.2	102.5	162.9	35.4	0	0	0	0	120.9
354	T	29.6	Very low	33.7	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	77%	0.768	S	S	*	*				52.1	121.1	109.5	-48.3	0	0	0	0	120.3
355	L	34.1	Very low	33.7	Very low	168 Å²	168	133.2 Å²	133.2	88%	0.88	77%	0.773	S	S	*	*				-171	151.9	121.1	-101.8	163.9	0	0	0	111.8
356	Q	38	Very low	33.9	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	77%	0.772	S	S	*	*			trans	-138.5	143.2	175.6	-153	-165.7	34.9	0	0	110.6
357	P	36.5	Very low	34	Very low	112 Å²	112	131.5 Å²	131.5	73%	0.727	78%	0.775	S	S	*	*			trans	-127.3	156.3	156.9	37	-25.2	0	0	0	112
358	Q	36.8	Very low	34	Very low	187 Å²	187	129 Å²	129	87%	0.874	78%	0.777	S	S	*	*			cis	-152.5	178.2	-27.1	-92.8	-155.9	36.8	0	0	106.5
359	S	34.6	Very low	34	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	78%	0.784	S	S	*	*			trans	-150.2	149.6	170.2	71.3	0	0	0	0	113
360	F	33.9	Very low	34.1	Very low	194 Å²	194	131.5 Å²	131.5	85%	0.851	79%	0.789	S	S	*	*			trans	-170.7	130.3	-172.1	-174.7	-85.4	0	0	0	108.2
361	V	36.1	Very low	34	Very low	107 Å²	107	132.1 Å²	132.1	65%	0.648	78%	0.783	S	S	*	*			cis	-139.7	157.5	-12.2	-86	0	0	0	0	106.8
362	A	32.3	Very low	34.1	Very low	94 Å²	94	129.4 Å²	129.4	78%	0.777	78%	0.778	S	S	*	*			cis	83.2	85	30.5	0	0	0	0	0	116.2
363	A	32.6	Very low	34.3	Very low	100 Å²	100	126.7 Å²	126.7	83%	0.826	76%	0.755	S	S	*	*			trans	175.9	148.3	148.8	0	0	0	0	0	111.5
364	V	33.3	Very low	34.5	Very low	123 Å²	123	130.1 Å²	130.1	75%	0.745	76%	0.764	S	S	*	*			cis	-166	154.4	-26.6	72	0	0	0	0	109
365	L	34.1	Very low	34.8	Very low	154 Å²	154	131.5 Å²	131.5	81%	0.806	77%	0.767	S	S	*	*			trans	67.6	150.5	173.4	-53.2	165.2	0	0	0	116.8
366	S	36.7	Very low	35	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	76%	0.761	S	S	*	*			cis	-166.4	149.5	-21.8	-102.2	0	0	0	0	111.5
367	G	34.1	Very low	34.8	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	76%	0.761	S	S	*	*			trans	63.3	115.5	146.1	0	0	0	0	0	120.6
368	P	36.4	Very low	34.6	Very low	131 Å²	131	134.3 Å²	134.3	85%	0.851	77%	0.769	S	S	*	*			trans	-83.4	149.5	164.3	35.2	-33	0	0	0	112
369	T	34.1	Very low	34.4	Very low	138 Å²	138	128.6 Å²	128.6	85%	0.847	76%	0.76	S	S	*	*			trans	-140.2	136.6	163.1	39.8	0	0	0	0	110.1
370	D	32.2	Very low	34.4	Very low	157 Å²	157	128.7 Å²	128.7	84%	0.84	76%	0.756	S	S	*	*			trans	-62.2	149.5	169	-66.1	-76.4	0	0	0	111.6
371	L	33.4	Very low	34.7	Very low	113 Å²	113	125.3 Å²	125.3	59%	0.592	75%	0.754	S	S	*	*			trans	-164.7	114.6	148.1	-104.7	160.1	0	0	0	108.5	P414 V416	L371-P414 HydrophobicContact CD1-CG 4.2Å; L371-V416 HydrophobicContact CD2-CB 4.38Å; L371-V416 HydrophobicContact CD2-CG1 3.42Å; L371-V416 VanDerWaalsContact CD2-CG1 3.42Å
372	N	35.6	Very low	34.6	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	76%	0.761	S	S	*	*			trans	-73.6	179.3	165.3	-87.6	-50	0	0	0	110.2	V416	N372-V416 WeakPolarHBondContact O-CG1 3.5Å
373	D	35	Very low	34.8	Very low	52 Å²	52	130.4 Å²	130.4	28%	0.278	76%	0.762	S	S	.	*			trans	71.8	87.2	163.6	-50.3	-31.6	0	0	0	118.1	V416 P417 N418	D373-V416 HydrophobicContact CB-CB 4.4Å; D373-V416 HydrophobicContact CB-CG1 3.94Å; D373-V416 HydrophobicContact CB-CG2 3.62Å; D373-P417 WeakPolarHBondContact OD2-CA 3.37Å; D373-P417 VanDerWaalsContact OD2-CB 3.31Å; D373-P417 WeakPolarHBondContact OD2-CB 3.31Å; D373-N418 PolarHBondContact OD1-ND2 3.29Å; D373-N418 WeakPolarHBondContact OD2-CA 3.47Å; D373-N418 PolarHBondContact OD2-N 3.12Å; D373-N418 PolarHBondContact OD2-ND2 2.93Å
374	L	36.3	Very low	34.9	Very low	173 Å²	173	130.6 Å²	130.6	91%	0.906	76%	0.755	S	S	*	*				-143.5	93.6	125.1	-158.2	69	0	0	0	111
375	N	35.2	Very low	34.9	Very low	157 Å²	157	130.3 Å²	130.3	84%	0.84	75%	0.753	S	S	*	*			trans	-115	87.3	177.2	-176.6	11.4	0	0	0	110.3
376	Q	39.2	Very low	34.8	Very low	160 Å²	160	133.1 Å²	133.1	75%	0.748	75%	0.754	S	S	*	*			trans	-149.5	121.5	173	-105.8	166.5	61.2	0	0	112.2
377	H	32.1	Very low	34.6	Very low	180 Å²	180	134.2 Å²	134.2	83%	0.833	75%	0.748	S	S	*	*			trans	33.3	89.4	156	-58	-63.3	0	0	0	120.5
378	I	34	Very low	34.4	Very low	176 Å²	176	136.6 Å²	136.6	90%	0.903	75%	0.75	S	S	*	*			trans	-125	132.1	137.2	-61.1	-176.4	0	0	0	108.3
379	G	32.4	Very low	34.3	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	75%	0.746	S	S	*	*			trans	-88.7	-178	-165.8	0	0	0	0	0	116.1
380	T	34.4	Very low	34.2	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.724	74%	0.741	S	S	*	*			trans	-54	132.1	175	47.3	0	0	0	0	113	L382	T380-L382 PolarHBondContact O-N 3.17Å
381	P	39.8	Very low	34.2	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	74%	0.742	S	S	*	*			trans	-69.3	103.2	162.9	29.2	-32	0	0	0	109.2	I383	P381-I383 PolarHBondContact O-N 2.88Å; P381-I383 VanDerWaalsContact O-N 3.12Å
382	L	33.5	Very low	34.3	Very low	153 Å²	153	137.3 Å²	137.3	80%	0.801	75%	0.751	S	S	*	*			trans	-62	109.9	167.4	-79.1	162.6	0	0	0	108.6	T380 P384	T380-L382 PolarHBondContact O-N 3.17Å; L382-P384 VanDerWaalsContact O-CD 3.3Å; L382-P384 WeakPolarHBondContact O-CD 3.48Å
383	I	36.3	Very low	34.2	Very low	155 Å²	155	140.1 Å²	140.1	80%	0.795	76%	0.76	S	S	*	*			trans	-72	118.7	165.7	-61.5	179.2	0	0	0	106.7	P381 V385	P381-I383 PolarHBondContact O-N 2.88Å; P381-I383 VanDerWaalsContact O-N 3.12Å; I383-V385 PolarHBondContact O-N 2.92Å
384	P	35	Very low	34.4	Very low	105 Å²	105	141.9 Å²	141.9	68%	0.682	77%	0.774	S	S	*	*			trans	-65.9	123.2	-171.6	-23.7	35.2	0	0	0	112.5	L382 Y386	L382-P384 VanDerWaalsContact O-CD 3.3Å; L382-P384 WeakPolarHBondContact O-CD 3.48Å; P384-Y386 PolarHBondContact O-N 3.44Å; P384-Y386 VanDerWaalsContact O-N 3.12Å
385	V	34	Very low	34.4	Very low	117 Å²	117	139.9 Å²	139.9	71%	0.709	76%	0.764	S	S	*	*			trans	-75	95.8	160.8	179.2	0	0	0	0	106.9	I383 H387	I383-V385 PolarHBondContact O-N 2.92Å; V385-H387 PolarHBondContact O-CD2 2.94Å; V385-H387 VanDerWaalsContact O-CD2 3.28Å; V385-H387 PolarHBondContact O-N 3.26Å; V385-H387 VanDerWaalsContact O-N 3.1Å
386	Y	30.9	Very low	34.5	Very low	212 Å²	212	138 Å²	138	83%	0.831	75%	0.754	S	S	*	*			trans	-77.2	99.5	178	-139.2	-78.5	0	0	0	109.9	P384	P384-Y386 PolarHBondContact O-N 3.44Å; P384-Y386 VanDerWaalsContact O-N 3.12Å
387	H	32.7	Very low	34.5	Very low	130 Å²	130	136.5 Å²	136.5	60%	0.602	75%	0.747	S	S	*	*			trans	-69.6	138.4	171.5	-67.7	-97.2	0	0	0	109.8	V385 T389	V385-H387 PolarHBondContact O-CD2 2.94Å; V385-H387 VanDerWaalsContact O-CD2 3.28Å; V385-H387 PolarHBondContact O-N 3.26Å; V385-H387 VanDerWaalsContact O-N 3.1Å; H387-T389 PolarHBondContact O-N 3.34Å
388	P	30.8	Very low	34.6	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	74%	0.739	S	S	*	*			trans	-77	112.6	171.4	30.7	-31.5	0	0	0	109.5
389	T	32.5	Very low	34.6	Very low	124 Å²	124	131.4 Å²	131.4	76%	0.761	73%	0.725	S	S	*	*			trans	-120.6	149.6	172.4	40.3	0	0	0	0	111.1	H387	H387-T389 PolarHBondContact O-N 3.34Å
390	P	32.2	Very low	34.7	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	73%	0.729	S	S	*	*			trans	-92.5	152.6	-157.3	35.8	-36	0	0	0	113.7
391	I	32.5	Very low	34.9	Very low	171 Å²	171	135 Å²	135	88%	0.877	72%	0.724	S	S	*	*			trans	-91.3	108.6	164.8	-63.2	176.7	0	0	0	107.7
392	N	35.7	Very low	34.6	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	72%	0.723	S	S	*	*			trans	-75.2	161.9	160.3	-96.6	-18.6	0	0	0	110.1
393	H	32.6	Very low	34.9	Very low	190 Å²	190	132 Å²	132	88%	0.88	72%	0.716	S	S	*	*			trans	-62.4	162.2	165.4	-111.2	-96.9	0	0	0	111.2
394	P	39.8	Very low	34.8	Very low	90 Å²	90	131.4 Å²	131.4	58%	0.584	71%	0.714	S	S	*	*			trans	-103.5	-170.7	-148.4	40.7	-36.7	0	0	0	113.1
395	D	37	Very low	34.9	Very low	130 Å²	130	131.9 Å²	131.9	70%	0.695	71%	0.71	S	S	*	*				177.8	129.9	121.9	-95.4	-4.5	0	0	0	111.5
396	N	36.7	Very low	35	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	71%	0.712	S	S	*	*			trans	61.5	149.5	151.3	-60.8	-45.9	0	0	0	119.5
397	Q	38.9	Very low	35.2	Very low	130 Å²	130	129.3 Å²	129.3	61%	0.607	71%	0.711	S	S	*	*			cis	-170.9	149.5	-17	-119.1	175.6	53.4	0	0	108.5
398	M	35.1	Very low	35.3	Very low	133 Å²	133	130.4 Å²	130.4	66%	0.655	72%	0.721	S	S	*	*			trans	66.2	156.8	155.7	-50.6	-94	90.9	0	0	117.5
399	L	34.7	Very low	35.5	Very low	116 Å²	116	130.7 Å²	130.7	61%	0.607	72%	0.716	S	S	*	*			cis	-165.6	142.9	-23	-100.5	176.8	0	0	0	109.5
400	M	34.3	Very low	35.7	Very low	156 Å²	156	131.1 Å²	131.1	77%	0.768	72%	0.718	S	S	*	*			trans	65.7	158.3	138.4	-62.2	-79.4	169.6	0	0	121.6
401	T	37.9	Very low	35.8	Very low	103 Å²	103	129 Å²	129	63%	0.632	72%	0.717	S	S	*	*			cis	-178.5	154.2	-28.7	-95.7	0	0	0	0	112
402	C	34.1	Very low	35.9	Very low	115 Å²	115	128.7 Å²	128.7	78%	0.777	72%	0.717	S	S	*	*			trans	68.6	159	163.5	-79.3	0	0	0	0	118.7
403	C	38.7	Very low	35.8	Very low	98 Å²	98	131.6 Å²	131.6	66%	0.662	72%	0.723	S	S	*	*			cis	-162	157.7	-6.4	-123.5	0	0	0	0	112.8
404	I	35.8	Very low	36.3	Very low	143 Å²	143	126.7 Å²	126.7	73%	0.733	71%	0.708	S	S	*	*				42.6	139.5	127.4	-92.9	169.7	0	0	0	120.4
405	D	35.7	Very low	36.1	Very low	115 Å²	115	131.6 Å²	131.6	62%	0.615	72%	0.723	S	S	*	*			cis	-158.7	-166.8	14.5	-136.7	-27.8	0	0	0	116.8
406	Q	35.9	Very low	36.3	Very low	158 Å²	158	128.6 Å²	128.6	74%	0.738	71%	0.709	S	S	*	*			trans	-63.8	157.1	179.7	-59.1	145.5	68.8	0	0	118.5
407	S	36.4	Very low	36.3	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	71%	0.713	S	S	*	*				167.5	167.3	106.4	51.3	0	0	0	0	116.6
408	L	33.1	Very low	36.1	Very low	154 Å²	154	127.2 Å²	127.2	81%	0.806	71%	0.712	S	S	*	*			trans	-37.4	169.5	179.6	-61.5	143.3	0	0	0	118.3
409	D	36.5	Very low	36.3	Very low	125 Å²	125	126 Å²	126	67%	0.668	71%	0.714	S	S	*	*			cis	-163.6	176.7	23.5	-142.3	-51.2	0	0	0	114.3
410	T	36.9	Very low	36.3	Very low	133 Å²	133	125.9 Å²	125.9	82%	0.816	72%	0.723	S	S	*	*			trans	-1.5	146	162.5	27.7	0	0	0	0	124.8
411	G	33.3	Very low	36.3	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	72%	0.723	S	S	*	*			trans	152.7	102.1	142.9	0	0	0	0	0	121.9
412	L	35.8	Very low	36.1	Very low	165 Å²	165	127.4 Å²	127.4	86%	0.864	73%	0.734	S	S	*	*			trans	51.4	103.7	141.4	-59.2	172	0	0	0	124
413	F	33.5	Very low	35.9	Very low	206 Å²	206	132 Å²	132	90%	0.904	74%	0.736	S	S	*	*				34.4	160.8	127	-72.5	-52	0	0	0	125.4
414	P	42.4	Very low	35.6	Very low	87 Å²	87	134.1 Å²	134.1	57%	0.565	74%	0.741	S	S	*	*			trans	-131.6	177.6	-145.5	43.5	-25.7	0	0	0	117	L371	L371-P414 HydrophobicContact CD1-CG 4.2Å
415	Q	35.6	Very low	35.4	Very low	192 Å²	192	136 Å²	136	90%	0.897	74%	0.744	S	S	*	*			trans	-146.4	159.6	161.2	-70.5	-164.3	3.9	0	0	112.6
416	V	40.6	Very low	35.3	Very low	68 Å²	68	135.3 Å²	135.3	41%	0.412	75%	0.748	S	S	.	*			trans	-163.4	155.4	-174.6	91.1	0	0	0	0	108	L371 N372 D373	L371-V416 HydrophobicContact CD2-CB 4.38Å; L371-V416 HydrophobicContact CD2-CG1 3.42Å; L371-V416 VanDerWaalsContact CD2-CG1 3.42Å; N372-V416 WeakPolarHBondContact O-CG1 3.5Å; D373-V416 HydrophobicContact CB-CB 4.4Å; D373-V416 HydrophobicContact CB-CG1 3.94Å; D373-V416 HydrophobicContact CB-CG2 3.62Å
417	P	37.8	Very low	35.1	Very low	107 Å²	107	133.7 Å²	133.7	70%	0.695	74%	0.744	S	S	*	*				-156.6	161.9	77	42.6	-21.9	0	0	0	120	D373	D373-P417 WeakPolarHBondContact OD2-CA 3.37Å; D373-P417 VanDerWaalsContact OD2-CB 3.31Å; D373-P417 WeakPolarHBondContact OD2-CB 3.31Å
418	N	33.6	Very low	34.7	Very low	110 Å²	110	137.7 Å²	137.7	59%	0.588	74%	0.742	S	S	*	*			trans	59.8	157.6	147.7	-94.9	-88.3	0	0	0	122.4	D373	D373-N418 PolarHBondContact OD1-ND2 3.29Å; D373-N418 WeakPolarHBondContact OD2-CA 3.47Å; D373-N418 PolarHBondContact OD2-N 3.12Å; D373-N418 PolarHBondContact OD2-ND2 2.93Å
419	P	39.1	Very low	34.7	Very low	107 Å²	107	138.3 Å²	138.3	70%	0.695	74%	0.738	S	S	*	*			trans	-111.7	-177.9	-167.1	43	-34.4	0	0	0	114.6
420	S	35.5	Very low	34.5	Very low	115 Å²	115	141 Å²	141	80%	0.804	75%	0.746	S	S	*	*			trans	-150.5	126.3	166	-84.8	0	0	0	0	114.5
421	V	34.7	Very low	34.4	Very low	128 Å²	128	139.6 Å²	139.6	78%	0.776	74%	0.739	S	S	*	*			trans	36.9	124.2	144.1	-151.2	0	0	0	0	119.9
422	L	32.7	Very low	34.3	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	75%	0.746	S	S	*	*				153.9	141.7	125.3	-82.5	173.6	0	0	0	113.2
423	Y	31.3	Very low	34.2	Very low	211 Å²	211	146.1 Å²	146.1	83%	0.827	74%	0.74	S	S	*	*			trans	-53.5	157.1	158.7	-80.1	-123.5	0	0	0	109.8
424	N	32.1	Very low	34.3	Very low	143 Å²	143	143 Å²	143	77%	0.765	73%	0.729	S	S	*	*				-167.4	-173	53.9	-145.9	-25.8	0	0	0	113.5
425	K	31.7	Very low	33.9	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.796	73%	0.733	S	S	*	*			trans	-71.6	155.6	-177.6	-64.4	172.4	179.9	170.7	0	114.6
426	S	32.7	Very low	33.9	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	72%	0.724	S	S	*	*			trans	103.1	146.3	141.3	83.3	0	0	0	0	120.1
427	N	31.1	Very low	33.7	Very low	123 Å²	123	144.8 Å²	144.8	66%	0.658	74%	0.742	S	S	*	*			trans	75	102.2	149	-64	-16.3	0	0	0	122.2
428	W	28.4	Very low	33.6	Very low	201 Å²	201	148 Å²	148	76%	0.761	75%	0.748	S	S	*	*				94.7	132.7	112.2	-79.1	21.1	0	0	0	121.5
429	K	34.2	Very low	34	Very low	168 Å²	168	147 Å²	147	73%	0.73	75%	0.747	S	S	*	*			trans	80.8	127.4	143.2	-73.3	171.7	177.8	176.8	0	121
430	H	30.8	Very low	33.8	Very low	181 Å²	181	153 Å²	153	84%	0.838	76%	0.756	S	S	*	*			trans	-61	156.7	161.8	-65.6	-95.8	0	0	0	114.2
431	P	36	Very low	34	Very low	104 Å²	104	152.8 Å²	152.8	68%	0.675	75%	0.752	S	S	*	*				-90	136.8	127.1	-10.2	28.9	0	0	0	110
432	R	30.3	Very low	34	Very low	228 Å²	228	153.8 Å²	153.8	86%	0.86	75%	0.753	S	S	*	*				63.9	138.4	72.9	-64.8	173.2	176.4	173.6	-2.8	111.5
433	L	33.8	Very low	34.1	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	74%	0.74	S	S	*	*			cis	-142.8	176.3	15.6	-60.6	167.9	0	0	0	108.2
434	Q	35.9	Very low	34.2	Very low	140 Å²	140	148.3 Å²	148.3	65%	0.654	73%	0.732	S	S	*	*			cis	-168.3	165.7	-30.3	-109.3	-168.6	-113.2	0	0	108.5
435	N	34.5	Very low	34.3	Very low	121 Å²	121	151 Å²	151	65%	0.647	73%	0.731	S	S	*	*			trans	68.9	147.8	149.2	-66.4	1.4	0	0	0	119.2
436	N	34.3	Very low	34.6	Very low	134 Å²	134	147.1 Å²	147.1	72%	0.717	72%	0.722	S	S	*	*			cis	-162.7	173.2	-9.4	-129.1	-15.6	0	0	0	114.1
437	V	36.7	Very low	34.6	Very low	130 Å²	130	150.8 Å²	150.8	79%	0.788	73%	0.726	S	S	*	*			trans	74.3	111.9	152.2	171.9	0	0	0	0	119.7
438	Q	36.1	Very low	34.6	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	73%	0.729	S	S	*	*			trans	-86.6	-162.7	166.2	-128	-170.7	33.2	0	0	109.5
439	P	41.5	Very low	34.8	Very low	88 Å²	88	148.4 Å²	148.4	57%	0.571	73%	0.728	S	S	*	*			cis	-144.5	-176.3	-22.6	38.1	-18.5	0	0	0	116.5
440	R	34.4	Very low	34.9	Very low	234 Å²	234	144.6 Å²	144.6	88%	0.883	73%	0.728	S	S	*	*				131.3	148	117.6	-106.9	168.3	-162.1	-145.5	1	116.8
441	P	41.8	Very low	34.9	Very low	110 Å²	110	142.6 Å²	142.6	71%	0.714	72%	0.723	S	S	*	*			trans	-127.4	-175.3	-163	45.4	-31	0	0	0	115.1
442	N	34.7	Very low	34.8	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	73%	0.726	S	S	*	*			trans	-169.7	150.4	156.2	-96.3	-32.2	0	0	0	109.9
443	N	34.4	Very low	34.9	Very low	108 Å²	108	140.2 Å²	140.2	58%	0.578	73%	0.725	S	S	*	*			cis	-167.2	162.4	-25.7	-144.8	-26.4	0	0	0	111.1
444	F	33.2	Very low	34.8	Very low	150 Å²	150	138.2 Å²	138.2	66%	0.658	72%	0.723	S	S	*	*			trans	64.6	149.9	168.2	-54.1	-51.3	0	0	0	117.5
445	R	34.4	Very low	34.8	Very low	200 Å²	200	142.7 Å²	142.7	76%	0.755	73%	0.734	S	S	*	*			cis	-169.9	152.5	-6.3	-114.6	165	-180	153.5	-1.2	106.1
446	V	36.5	Very low	34.6	Very low	101 Å²	101	144.2 Å²	144.2	61%	0.612	74%	0.742	S	S	*	*			cis	-159.7	168.9	-24.6	-95.4	0	0	0	0	104.6
447	F	33.5	Very low	34.8	Very low	179 Å²	179	145.7 Å²	145.7	79%	0.785	75%	0.748	S	S	*	*			cis	-129.2	-176.4	18.8	-60.9	-93.7	0	0	0	108.6
448	N	32	Very low	34.6	Very low	133 Å²	133	145.7 Å²	145.7	71%	0.711	75%	0.748	S	S	*	*			cis	65.8	140.8	27.7	-65	12.3	0	0	0	114.1
449	N	31	Very low	34.6	Very low	141 Å²	141	142.5 Å²	142.5	75%	0.754	74%	0.743	S	S	*	*			cis	-150.1	167.2	-14.2	-89.3	-18.6	0	0	0	106.3
450	A	36.2	Very low	34	Very low	88 Å²	88	145.8 Å²	145.8	73%	0.727	75%	0.754	S	S	*	*			cis	-133.1	168.6	4.1	0	0	0	0	0	108.9
451	N	31.9	Very low	34.2	Very low	138 Å²	138	139.4 Å²	139.4	74%	0.738	74%	0.743	S	S	*	*			cis	86.8	108.1	29	-128.7	20.2	0	0	0	116.4
452	T	32.7	Very low	33.6	Very low	118 Å²	118	141.8 Å²	141.8	72%	0.724	75%	0.747	S	S	*	*			trans	56.6	130.4	156.4	59.5	0	0	0	0	121.9
453	I	33.8	Very low	33.5	Very low	165 Å²	165	140.3 Å²	140.3	85%	0.846	74%	0.738	S	S	*	*				-165	143.7	115	-98.9	155.4	0	0	0	110.1
454	S	30.4	Very low	33.4	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	75%	0.745	S	S	*	*			trans	-116.4	145.2	170	57.6	0	0	0	0	110.3
455	R	37.3	Very low	33.3	Very low	233 Å²	233	141.2 Å²	141.2	88%	0.879	74%	0.744	S	S	*	*			trans	-175.7	140.8	150.5	-102	143.2	-167.6	167	3.6	112.4
456	N	30	Very low	33.1	Very low	154 Å²	154	136.5 Å²	136.5	82%	0.824	74%	0.738	S	S	*	*			trans	-79	149.3	155.8	-54.5	-41.4	0	0	0	108.6
457	I	38	Very low	32.8	Very low	164 Å²	164	136.8 Å²	136.8	84%	0.841	74%	0.74	S	S	*	*			trans	-164.2	159.8	150.1	-101.8	147.8	0	0	0	108.5
458	V	32.3	Very low	32.6	Very low	131 Å²	131	135.2 Å²	135.2	79%	0.794	74%	0.74	S	S	*	*			trans	-129.5	158.6	-156	159.5	0	0	0	0	108.9
459	P	37.3	Very low	32.5	Very low	108 Å²	108	137.5 Å²	137.5	70%	0.701	74%	0.744	S	S	*	*				-116.6	-145	-126.1	42.5	-35.3	0	0	0	115.3
460	L	28.9	Very low	32.4	Very low	157 Å²	157	136.9 Å²	136.9	82%	0.822	74%	0.741	S	S	*	*			trans	87.5	163.9	171	-52	177.1	0	0	0	115.9
461	P	38	Very low	32.1	Very low	100 Å²	100	141 Å²	141	65%	0.649	74%	0.744	S	S	*	*				-141	-159.3	-58.4	41.7	-25.3	0	0	0	113.1
462	M	29.6	Very low	32	Very low	161 Å²	161	139 Å²	139	79%	0.793	74%	0.742	S	S	*	*			trans	78.3	146.6	153.5	-75.6	168.6	71.5	0	0	119.4
463	I	31.6	Very low	32	Very low	116 Å²	116	142.2 Å²	142.2	60%	0.595	75%	0.748	S	S	*	*			cis	-166.2	166.9	-19.8	-151.7	173.9	0	0	0	110.8
464	Q	32.2	Very low	31.8	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.724	74%	0.74	S	S	*	*			trans	69.3	151.5	163.7	-72.3	163.2	-3.3	0	0	116.9
465	N	31.3	Very low	31.9	Very low	122 Å²	122	142.9 Å²	142.9	65%	0.652	74%	0.744	S	S	*	*			cis	-151.5	157.2	5.8	-130.1	-0.7	0	0	0	114.2
466	T	30.3	Very low	32	Very low	102 Å²	102	137.7 Å²	137.7	63%	0.626	74%	0.741	S	S	*	*			trans	17.4	144.6	143.2	57.5	0	0	0	0	121.6
467	T	30.8	Very low	32.2	Very low	106 Å²	106	134.6 Å²	134.6	65%	0.65	74%	0.737	S	S	*	*			cis	-174.2	151	7	17	0	0	0	0	112.6
468	N	28.4	Very low	32.7	Very low	147 Å²	147	132.4 Å²	132.4	79%	0.786	73%	0.733	S	S	*	*			trans	58.3	152.9	139.7	-58.8	-12.7	0	0	0	124
469	K	31.1	Very low	33.1	Very low	180 Å²	180	132.3 Å²	132.3	78%	0.783	74%	0.735	S	S	*	*			trans	79.2	105.8	159.5	-67.9	-168.1	172.5	-178	0	120.3
470	D	28.5	Very low	32.8	Very low	129 Å²	129	132 Å²	132	69%	0.69	74%	0.742	S	S	*	*				58.4	152.9	110.9	-50	-28.2	0	0	0	123
471	Q	30.5	Very low	33.1	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	74%	0.743	S	S	*	*			trans	79.7	97.3	160.7	-73.5	161.6	77.8	0	0	119.2
472	S	27.8	Very low	33.3	Very low	97 Å²	97	138.6 Å²	138.6	68%	0.678	75%	0.752	S	S	*	*				10.4	124.8	124.6	54.9	0	0	0	0	120.5
473	E	32.8	Very low	34	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	75%	0.746	S	S	*	*				-162.7	136.5	129.5	-99.2	167.4	172.4	0	0	105.9
474	I	30.4	Very low	34.4	Very low	130 Å²	130	138.1 Å²	138.1	67%	0.667	76%	0.76	S	S	*	*			cis	97.5	120.6	37.2	-69.3	169.3	0	0	0	112.4
475	N	33.1	Very low	34.8	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	76%	0.758	S	S	*	*			trans	67.6	165.6	164.4	-68.3	-18.2	0	0	0	119
476	P	39.5	Very low	35.2	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	77%	0.766	S	S	*	*			cis	-116.5	162.9	-6.2	37.8	-25.3	0	0	0	114.7
477	A	34.3	Very low	35.1	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-103.8	143.9	168.2	0	0	0	0	0	111.2
478	P	47.5	Very low	35.2	Very low	119 Å²	119	144 Å²	144	77%	0.773	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.4	156.1	174.8	31.6	-34.7	0	0	0	112.3
479	P	40.5	Very low	35.2	Very low	128 Å²	128	141.5 Å²	141.5	83%	0.831	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-77.2	160.4	-167.4	31	-36.9	0	0	0	114.8
480	A	32.3	Very low	35.4	Very low	103 Å²	103	141.8 Å²	141.8	85%	0.851	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-77.3	158.3	176.5	0	0	0	0	0	113.2
481	Y	34.3	Very low	35.5	Very low	212 Å²	212	142.8 Å²	142.8	83%	0.831	78%	0.781	S	S	*	*			trans	-136.6	115.3	169.8	-172.4	-90.6	0	0	0	109.7	P483	Y481-P483 HydrophobicContact CE1-CB 4.49Å
482	E	42.9	Very low	35.5	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	78%	0.776	S	S	*	*			trans	-129	121.1	179	-177.1	168.6	-141.9	0	0	109.2
483	P	42.8	Very low	35.7	Very low	102 Å²	102	140.6 Å²	140.6	66%	0.662	78%	0.78	S	S	*	*			trans	-95.1	165	179.5	36.3	-34.1	0	0	0	113.5	Y481	Y481-P483 HydrophobicContact CE1-CB 4.49Å
484	D	40.5	Very low	35.7	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	77%	0.769	S	S	*	*			trans	-84.4	172.4	-144.6	-120.4	-53.3	0	0	0	120
485	R	41.2	Very low	35.7	Very low	180 Å²	180	138.6 Å²	138.6	68%	0.679	78%	0.777	S	S	*	*			trans	-70.9	175	-178.2	-142.1	179.3	-164.6	163.9	3.3	113.4	H487	R485-H487 PolarHBondContact NE-CD2 3.41Å; R485-H487 PolarHBondContact NH1-NE2 3.01Å; R485-H487 PolarHBondContact NH2-NE2 3.24Å; R485-H487 VanDerWaalsContact NH2-NE2 3.1Å
486	P	39.2	Very low	35.7	Very low	127 Å²	127	137.1 Å²	137.1	83%	0.825	78%	0.779	S	S	*	*				-145.3	156.9	97.2	37	-21.9	0	0	0	116.3
487	H	28.8	Very low	35.2	Very low	123 Å²	123	138.3 Å²	138.3	57%	0.569	78%	0.779	S	S	*	*			trans	-81	153.1	164.4	-91.2	-86.5	0	0	0	111.6	R485	R485-H487 PolarHBondContact NE-CD2 3.41Å; R485-H487 PolarHBondContact NH1-NE2 3.01Å; R485-H487 PolarHBondContact NH2-NE2 3.24Å; R485-H487 VanDerWaalsContact NH2-NE2 3.1Å
488	L	33.1	Very low	35.1	Very low	179 Å²	179	142.1 Å²	142.1	94%	0.937	79%	0.785	S	S	*	*			trans	-139.7	133.2	142.8	-79.9	-178.3	0	0	0	110.3
489	S	28.2	Very low	34.4	Very low	94 Å²	94	144.1 Å²	144.1	66%	0.657	79%	0.788	S	S	*	*			trans	-139.4	134.1	175.6	53	0	0	0	0	108.9
490	M	34.8	Very low	34.2	Very low	186 Å²	186	142.8 Å²	142.8	92%	0.916	78%	0.779	S	S	*	*			trans	-134.3	151.9	171.9	-78.1	-62.6	-73	0	0	110.4
491	I	30.1	Very low	34.4	Very low	149 Å²	149	142.4 Å²	142.4	76%	0.764	77%	0.771	S	S	*	*			trans	-120.7	177.4	-161.8	-61.6	165.5	0	0	0	109.2
492	S	31.4	Very low	34.2	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	77%	0.766	S	S	*	*			trans	92.9	140.8	161.7	-52.8	0	0	0	0	116.6
493	T	31.2	Very low	33.7	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	76%	0.759	S	S	*	*			cis	-159.5	148.2	-7.3	10.3	0	0	0	0	112.3
494	S	32.8	Very low	33.3	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	77%	0.767	S	S	*	*			trans	25.9	125.4	148.1	62.4	0	0	0	0	123.6
495	E	30.5	Very low	33.1	Very low	182 Å²	182	133.5 Å²	133.5	85%	0.85	76%	0.758	S	S	*	*				61.6	125.8	124.6	-59.7	179	-172.3	0	0	122.9
496	S	34	Very low	32.8	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	76%	0.761	S	S	*	*				-176	167.8	102.1	40.2	0	0	0	0	112.9
497	N	28.9	Very low	32.8	Very low	149 Å²	149	132.4 Å²	132.4	80%	0.797	76%	0.763	S	S	*	*			trans	-93.1	164.3	-165.7	-57.5	-80.3	0	0	0	114.1
498	I	31.9	Very low	33	Very low	168 Å²	168	133.8 Å²	133.8	86%	0.862	77%	0.77	S	S	*	*				165	137.7	120.8	-83.5	161.5	0	0	0	112.4
499	L	32.3	Very low	33.3	Very low	161 Å²	161	132.8 Å²	132.8	84%	0.843	76%	0.761	S	S	*	*			trans	-114.8	-177.5	171.2	-92.5	169.4	0	0	0	107.9
500	P	37.3	Very low	33.6	Very low	100 Å²	100	134.7 Å²	134.7	65%	0.649	76%	0.763	S	S	*	*			cis	-150.4	-168.3	24.5	34.6	-7.7	0	0	0	117.4
501	S	35.1	Very low	33.5	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	76%	0.756	S	S	*	*			trans	62.3	152	138.5	58.2	0	0	0	0	121.5
502	C	30.5	Very low	33.7	Very low	110 Å²	110	128.3 Å²	128.3	74%	0.743	76%	0.756	S	S	*	*			cis	-174.2	-179.6	-12.6	-96.1	0	0	0	0	106.8
503	D	32.7	Very low	34.1	Very low	132 Å²	132	130.4 Å²	130.4	71%	0.706	77%	0.765	S	S	*	*				-170.6	173.1	-52.4	-99	-55.9	0	0	0	108
504	T	35.4	Very low	34.4	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	77%	0.765	S	S	*	*			trans	65.1	154.1	174.4	54.5	0	0	0	0	117.2
505	S	35	Very low	34.9	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	77%	0.771	S	S	*	*			cis	-167.1	-173.8	-5.8	39.3	0	0	0	0	109.4
506	D	35.7	Very low	35.2	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	77%	0.773	S	S	*	*				-165.6	-155	-53.6	-78.4	-41.6	0	0	0	107.8
507	V	38.3	Very low	35.3	Very low	144 Å²	144	130.2 Å²	130.2	87%	0.873	77%	0.769	S	S	*	*			trans	85.7	134.7	167.6	-169.2	0	0	0	0	118.4
508	E	33	Very low	35.5	Very low	152 Å²	152	132.5 Å²	132.5	71%	0.71	77%	0.767	S	S	*	*			trans	-108.2	176.3	-171.4	-51.2	175.4	109.1	0	0	113.4
509	H	40.4	Very low	36.2	Very low	159 Å²	159	133.1 Å²	133.1	74%	0.736	76%	0.764	S	S	*	*			trans	-175.2	165.1	138.5	-105.3	67.2	0	0	0	111.9	K265	K265-H509 PolarHBondContact NZ-O 3.37Å
510	N	34.2	Very low	37.1	Very low	134 Å²	134	130.4 Å²	130.4	72%	0.717	76%	0.756	S	S	*	*			trans	-126.2	166	-153.4	-83.1	-36.8	0	0	0	117.1
511	A	32.4	Very low	36.9	Very low	92 Å²	92	130.6 Å²	130.6	76%	0.76	76%	0.759	S	S	*	*			trans	87.3	131	143.4	0	0	0	0	0	123.4
512	S	35.2	Very low	36.9	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	76%	0.762	S	S	*	*			trans	72.7	88.7	137.3	-59.9	0	0	0	0	123.5
513	T	38.6	Very low	37.3	Very low	145 Å²	145	134 Å²	134	89%	0.89	77%	0.767	S	S	*	*				-170	137.8	124.4	6.8	0	0	0	0	113.5
514	P	38.9	Very low	37.4	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	77%	0.77	S	S	*	*			trans	-119.8	-176.8	162.5	41.9	-31.8	0	0	0	111.5
515	P	41.8	Very low	37.4	Very low	117 Å²	117	135.7 Å²	135.7	76%	0.76	77%	0.77	S	S	*	*			cis	-121.1	178.7	-17.5	40.6	-28	0	0	0	112.6
516	L	37	Very low	37.5	Very low	170 Å²	170	140 Å²	140	89%	0.89	78%	0.779	S	S	*	*			trans	-174.9	146.8	140.2	-106.7	174.8	0	0	0	112.8
517	S	36.4	Very low	37.5	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	78%	0.779	S	S	*	*			trans	50.1	116.4	163.2	-152.6	0	0	0	0	120
518	Y	33.7	Very low	37.3	Very low	196 Å²	196	139 Å²	139	77%	0.769	78%	0.777	S	S	*	*			trans	-108.9	132.7	168.4	178.2	-96.3	0	0	0	111	P520	Y518-P520 HydrophobicContact CE1-CB 4.06Å
519	K	47	Very low	37.5	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.787	78%	0.777	S	S	*	*			trans	-118	127.9	167.7	-71.6	-173.8	177.4	-177.2	0	109.6
520	P	49.4	Very low	37.2	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-73.5	152.5	176.5	30.2	-34.4	0	0	0	112.3	Y518	Y518-P520 HydrophobicContact CE1-CB 4.06Å
521	S	35.2	Very low	37.1	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.3	152	-175.3	-50	0	0	0	0	113.9
522	P	34.3	Very low	37.2	Very low	112 Å²	112	139 Å²	139	73%	0.727	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-81.9	120.4	-172.2	31.4	-34.9	0	0	0	113.6
523	I	38.8	Very low	37.1	Very low	164 Å²	164	139.9 Å²	139.9	84%	0.841	79%	0.786	S	S	*	*			trans	-137.3	54.4	161.7	-47.3	-178.1	0	0	0	109.4
524	T	34.1	Very low	37.1	Very low	124 Å²	124	138.7 Å²	138.7	76%	0.761	78%	0.781	S	S	*	*			trans	-148.1	40.7	178.8	-35.9	0	0	0	0	113.7
525	E	36.9	Very low	36.7	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	79%	0.785	S	S	*	*			trans	-133.3	42.7	-177.1	-66.7	-167.7	162.7	0	0	114.8
526	Q	36.4	Very low	36.5	Very low	190 Å²	190	141.6 Å²	141.6	89%	0.888	79%	0.787	S	S	*	*	S	Bend	trans	-139.2	30.6	173.4	-76.2	-158.6	-20.9	0	0	115.7
527	I	35	Very low	36.6	Very low	142 Å²	142	138.9 Å²	138.9	73%	0.728	78%	0.783	S	S	*	*			trans	-139.2	66.6	165.5	-44.1	178.6	0	0	0	110.6
528	S	35.1	Very low	36.5	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	78%	0.784	S	S	*	*			trans	-149.9	75	168.2	-164.3	0	0	0	0	111.4
529	S	36.2	Very low	36.9	Very low	101 Å²	101	135 Å²	135	71%	0.706	79%	0.79	S	S	*	*	S	Bend	trans	-178.6	164.7	165.3	29.3	0	0	0	0	108.4
530	Y	35.3	Very low	36.4	Very low	221 Å²	221	132.3 Å²	132.3	87%	0.867	79%	0.789	S	S	*	*			trans	62	57.1	-176.5	-65.1	-81.2	0	0	0	115.8	V532	Y530-V532 HydrophobicContact CD1-CG2 4.48Å
531	A	31.2	Very low	35.8	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	79%	0.79	S	S	*	*			trans	-89	115	140.7	0	0	0	0	0	108.3
532	V	35.9	Very low	36	Very low	118 Å²	118	136 Å²	136	72%	0.715	79%	0.794	S	S	*	*			trans	-137.7	124.1	170.6	179.9	0	0	0	0	107.8	Y530	Y530-V532 HydrophobicContact CD1-CG2 4.48Å
533	V	31.8	Very low	36	Very low	126 Å²	126	135.2 Å²	135.2	76%	0.764	79%	0.791	S	S	*	*			trans	-128.2	117.1	-178.3	177.7	0	0	0	0	109.5
534	P	37.9	Very low	35.9	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	79%	0.787	S	S	*	*			trans	-80.1	136.7	162.8	-11.3	29	0	0	0	110.7
535	K	31.5	Very low	35.9	Very low	196 Å²	196	134.1 Å²	134.1	85%	0.852	78%	0.782	S	S	*	*			trans	-98.7	134.1	172.6	-72	-180	176.1	179.2	0	111.3
536	A	37.7	Very low	35.9	Very low	98 Å²	98	131.2 Å²	131.2	81%	0.81	78%	0.776	S	S	*	*			trans	-153.9	124.5	146.2	0	0	0	0	0	106.6
537	S	38	Very low	35.8	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	77%	0.768	S	S	*	*			cis	94.5	108.8	30.9	-61.6	0	0	0	0	112.7
538	G	35.7	Very low	35.9	Very low	76 Å²	76	127 Å²	127	78%	0.784	78%	0.775	S	S	*	*			trans	88.6	133.1	-176.6	0	0	0	0	0	112.7
539	V	40.7	Very low	36.3	Very low	145 Å²	145	129.6 Å²	129.6	88%	0.879	77%	0.767	S	S	*	*			cis	-141.3	164	0.7	-73.7	0	0	0	0	111.1
540	T	36.5	Very low	36.9	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	77%	0.772	S	S	*	*			trans	-66.2	165.2	172.2	46.7	0	0	0	0	111.2
541	D	37.8	Very low	38	Very low	131 Å²	131	125.2 Å²	125.2	70%	0.701	76%	0.755	S	S	*	*			cis	-163.6	173.1	38.5	-155.5	-10.6	0	0	0	112.4
542	L	39.7	Very low	39.8	Very low	156 Å²	156	124.6 Å²	124.6	82%	0.817	74%	0.737	S	S	*	*			trans	64.6	142.9	166.1	-57.2	170.6	0	0	0	118.5
543	S	34.2	Very low	41.8	Very low	95 Å²	95	122.8 Å²	122.8	66%	0.664	73%	0.728	S	S	*	*				179.1	153.1	-65.1	-175.1	0	0	0	0	107.4
544	L	36.1	Very low	44.2	Very low	143 Å²	143	125 Å²	125	75%	0.749	72%	0.723	S	S	*	*			trans	64.2	143.5	-174	-76.1	60.6	0	0	0	114.2
545	D	34.8	Very low	46.6	Very low	122 Å²	122	120 Å²	120	65%	0.652	69%	0.69	S	S	*	*			cis	-150	149.5	4.7	-126	-41.6	0	0	0	114.2
546	T	36.9	Very low	49.4	Very low	118 Å²	118	110.9 Å²	110.9	72%	0.724	65%	0.651	S	S	*	*	S	Bend	trans	29.9	114.6	137.9	-59.9	0	0	0	0	119.3
547	T	32.9	Very low	52	Low	117 Å²	117	106.2 Å²	106.2	72%	0.718	61%	0.612	S	S	*	*			cis	-138.4	87.4	-1.1	42.6	0	0	0	0	111.5	R549	T547-R549 PolarHBondContact O-N 3.01Å
548	S	37.7	Very low	54.5	Low	126 Å²	126	103 Å²	103	88%	0.881	58%	0.583	S	S	*	*			trans	-77.2	71.6	169.1	-164.4	0	0	0	0	111.1	T550	S548-T550 PolarHBondContact O-N 2.94Å
549	R	43.1	Very low	57.2	Low	174 Å²	174	99.5 Å²	99.5	66%	0.657	55%	0.547	S	S	*	.			trans	-59.7	129.5	167.3	-78.2	-169.2	176.4	-163.6	-0.3	108.4	T547 I551	T547-R549 PolarHBondContact O-N 3.01Å; R549-I551 VanDerWaalsContact C-N 3.32Å; R549-I551 PolarHBondContact O-N 3.03Å
550	T	48.4	Very low	59.4	Low	133 Å²	133	93.7 Å²	93.7	82%	0.816	51%	0.51	S	S	*	.			trans	-66.9	93.5	168.7	46.7	0	0	0	0	108.3	S548 D552	S548-T550 PolarHBondContact O-N 2.94Å; T550-D552 PolarHBondContact O-N 2.81Å
551	I	59.5	Low	61.8	Low	97 Å²	97	91.5 Å²	91.5	50%	0.497	49%	0.488	S	S	.	.			trans	-61.2	104	179.8	-59.4	176.4	0	0	0	108.1	R549 T556	R549-I551 VanDerWaalsContact C-N 3.32Å; R549-I551 PolarHBondContact O-N 3.03Å; I551-T556 WeakPolarHBondContact CG2-OG1 3.28Å
552	D	69.7	Low	64.2	Low	85 Å²	85	85.5 Å²	85.5	46%	0.455	46%	0.456	S	S	.	.			trans	-65.6	124	-177.9	-118.4	-45.9	0	0	0	109.1	T550 R554 T555 T556	T550-D552 PolarHBondContact O-N 2.81Å; D552-R554 PolarHBondContact O-N 3.4Å; D552-T555 HydrophobicContact CB-CG2 4.06Å; D552-T555 PolarHBondContact O-N 3.04Å; D552-T555 PolarHBondContact O-OG1 2.95Å; D552-T556 PolarHBondContact O-OG1 2.92Å
553	P	76.3	Confident	66.3	Low	81 Å²	81	80.4 Å²	80.4	53%	0.526	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.3	-177.1	28.3	-35.8	0	0	0	113.1	T626	P553-T626 VanDerWaalsContact O-O 3.13Å
554	R	82.6	Confident	68.5	Low	171 Å²	171	84.3 Å²	84.3	65%	0.645	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-28.1	172.6	-60.2	-174.3	176.2	87	-5.5	113.8	D552 T556 S603 A606	D552-R554 PolarHBondContact O-N 3.4Å; R554-T556 VanDerWaalsContact C-N 3.31Å; R554-S603 WeakPolarHBondContact CB-OG 3.36Å; R554-A606 WeakPolarHBondContact O-CB 3.45Å
555	T	89.3	Confident	70.8	Confident	18 Å²	18	84.5 Å²	84.5	11%	0.11	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.3	177.1	61.6	0	0	0	0	112.8	D552 F600	D552-T555 HydrophobicContact CB-CG2 4.06Å; D552-T555 PolarHBondContact O-N 3.04Å; D552-T555 PolarHBondContact O-OG1 2.95Å; T555-F600 WeakPolarHBondContact CB-O 3.48Å; T555-F600 PolarHBondContact O-N 2.93Å
556	T	90.2	Very high	73.1	Confident	3 Å²	3	81 Å²	81	2%	0.018	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.8	-171.4	-57.5	0	0	0	0	112.4	I551 D552 R554 Y558 V597 V598	I551-T556 WeakPolarHBondContact CG2-OG1 3.28Å; D552-T556 PolarHBondContact O-OG1 2.92Å; R554-T556 VanDerWaalsContact C-N 3.31Å; T556-Y558 HydrophobicContact CG2-CD2 4.4Å; T556-Y558 HydrophobicContact CG2-CE2 3.8Å; T556-V597 HydrophobicContact CG2-CG1 3.44Å; T556-V597 VanDerWaalsContact CG2-CG1 3.44Å; T556-V598 CarbonylContact C-O 2.99Å; T556-V598 WeakPolarHBondContact CA-O 3.45Å
557	L	91.7	Very high	75.4	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.8	173.2	-59	-173.6	0	0	0	111.2	F576 V597 V598 F600 A606 A609 I624 T626	L557-F576 HydrophobicContact CD1-CE1 4.45Å; L557-V597 WeakPolarHBondContact O-CA 3.21Å; L557-V598 PolarHBondContact N-O 3.46Å; L557-V598 PolarHBondContact O-N 3.17Å; L557-F600 HydrophobicContact CD1-CD2 4.42Å; L557-F600 HydrophobicContact CD1-CE2 3.72Å; L557-F600 HydrophobicContact CG-CD2 4.45Å; L557-F600 HydrophobicContact CG-CE2 4.16Å; L557-A606 HydrophobicContact CD2-CB 4.1Å; L557-A606 HydrophobicContact CG-CB 4.14Å; L557-A609 HydrophobicContact CD1-CB 3.77Å; L557-I624 HydrophobicContact CB-CG2 3.89Å; L557-I624 HydrophobicContact CD1-CG2 3.91Å; L557-I624 HydrophobicContact CD2-CG2 4.31Å; L557-I624 HydrophobicContact CG-CG2 4.26Å; L557-T626 HydrophobicContact CD2-CG2 3.82Å
558	Y	91.3	Very high	78	Confident	46 Å²	46	72 Å²	72	18%	0.18	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.3	174.2	-62.8	-94.1	0	0	0	109.3	T556 Y589 V597 I624 Y625 F628	T556-Y558 HydrophobicContact CG2-CD2 4.4Å; T556-Y558 HydrophobicContact CG2-CE2 3.8Å; Y558-Y589 HydrophobicContact CD1-CE1 4.17Å; Y558-Y589 HydrophobicContact CE1-CE1 4.1Å; Y558-V597 HydrophobicContact CD1-CG2 3.43Å; Y558-V597 VanDerWaalsContact CD1-CG2 3.43Å; Y558-V597 HydrophobicContact CE1-CG1 4.45Å; Y558-V597 HydrophobicContact CE1-CG2 3.8Å; Y558-V597 HydrophobicContact CG-CG2 4.25Å; Y558-I624 CarbonylContact O-C 3.58Å; Y558-I624 WeakPolarHBondContact O-CA 3.27Å; Y558-Y625 PolarHBondContact N-O 3.48Å; Y558-Y625 PolarHBondContact O-N 3.46Å; Y558-F628 HydrophobicContact CD1-CB 4.05Å; Y558-F628 AromaticContact CD1-CD2 3.65Å; Y558-F628 HydrophobicContact CD1-CD2 3.65Å; Y558-F628 HydrophobicContact CD1-CG 4.35Å; Y558-F628 HydrophobicContact CD2-CB 4.37Å; Y558-F628 HydrophobicContact CE1-CB 3.85Å; Y558-F628 AromaticContact CE1-CD2 3.85Å; Y558-F628 HydrophobicContact CE1-CD2 3.85Å; Y558-F628 HydrophobicContact CE1-CG 4.29Å; Y558-F628 HydrophobicContact CE2-CB 4.21Å; Y558-F628 HydrophobicContact CG-CB 4.31Å; Y558-F628 HydrophobicContact CG-CD2 4.39Å
559	I	91.2	Very high	80.5	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.5	-173.6	-35	157.9	0	0	0	109.7	L562 I572 F576 S595 A596 V598 M616 I622 R623 I624	I559-L562 HydrophobicContact CB-CD1 3.83Å; I559-L562 HydrophobicContact CG2-CD1 3.4Å; I559-L562 VanDerWaalsContact CG2-CD1 3.4Å; I559-I572 HydrophobicContact CD1-CG2 4.35Å; I559-F576 HydrophobicContact CD1-CD2 4.43Å; I559-F576 HydrophobicContact CD1-CE2 3.4Å; I559-F576 VanDerWaalsContact CD1-CE2 3.4Å; I559-F576 HydrophobicContact CD1-CZ 3.78Å; I559-F576 HydrophobicContact CG1-CE2 4.45Å; I559-F576 HydrophobicContact CG1-CZ 4.38Å; I559-S595 CarbonylContact O-C 3.25Å; I559-S595 WeakPolarHBondContact O-CA 3.47Å; I559-S595 WeakPolarHBondContact O-CB 3.49Å; I559-A596 HydrophobicContact CD1-CB 4.28Å; I559-A596 PolarHBondContact N-O 3.03Å; I559-A596 PolarHBondContact O-N 3.44Å; I559-V598 HydrophobicContact CD1-CB 4.49Å; I559-V598 HydrophobicContact CD1-CG2 3.63Å; I559-M616 HydrophobicContact CD1-CE 4.3Å; I559-M616 HydrophobicContact CG2-CE 4.24Å; I559-M616 HydrophobicContact CG2-SD 3.85Å; I559-I622 HydrophobicContact CG2-CG2 3.44Å; I559-I622 VanDerWaalsContact CG2-CG2 3.44Å; I559-R623 WeakPolarHBondContact CA-O 3.46Å; I559-I624 HydrophobicContact CG2-CG1 4.28Å
560	D	88.3	Confident	82.8	Confident	22 Å²	22	65 Å²	65	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.5	-179.3	-170.3	40.5	0	0	0	111.4	G594 S595 R623 Y625 F632	D560-G594 CarbonylContact C-O 3.46Å; D560-S595 PolarHBondContact OD1-OG 2.92Å; D560-S595 VanDerWaalsContact OD1-OG 3.08Å; D560-R623 PolarHBondContact N-O 2.94Å; D560-R623 PolarHBondContact O-N 2.92Å; D560-Y625 HydrophobicContact CB-CE2 4.01Å; D560-F632 HydrophobicContact CB-CZ 4.21Å
561	R	85.9	Confident	84.8	Confident	79 Å²	79	62.4 Å²	62.4	30%	0.298	30%	0.299	S	S	.	.			trans	67.6	26.3	180	-52	151.1	-179.7	-128.5	1.6	115.6	E289 G594 F621	E289-R561 IonicContact OE1-CZ 3.14Å; E289-R561 VanDerWaalsContact OE1-CZ 3.22Å; E289-R561 IonicContact OE1-NH1 2.7Å; E289-R561 PolarHBondContact OE1-NH1 3.28Å; E289-R561 IonicContact OE1-NH2 3.45Å; E289-R561 PolarHBondContact OE1-NH2 2.8Å; R561-G594 CarbonylContact C-O 3.59Å; R561-G594 WeakPolarHBondContact CA-O 3.48Å; R561-G594 PolarHBondContact N-O 2.66Å; R561-F621 WeakPolarHBondContact CD-O 3.34Å
562	L	88.2	Confident	86.3	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	28%	0.275	C	S	.	.			trans	-60	134.5	162.5	-82.7	78.4	0	0	0	109.2	I559 N567 I572 G594 A596 F617 I622	I559-L562 HydrophobicContact CB-CD1 3.83Å; I559-L562 HydrophobicContact CG2-CD1 3.4Å; I559-L562 VanDerWaalsContact CG2-CD1 3.4Å; L562-N567 HydrophobicContact CB-CB 4.24Å; L562-N567 HydrophobicContact CD2-CB 4.17Å; L562-I572 HydrophobicContact CD2-CD1 3.57Å; L562-I572 HydrophobicContact CD2-CG1 3.91Å; L562-G594 PolarHBondContact N-O 2.86Å; L562-G594 WeakPolarHBondContact O-CA 3.26Å; L562-A596 HydrophobicContact CD2-CB 4.41Å; L562-F617 HydrophobicContact CD2-CE2 4.28Å; L562-I622 HydrophobicContact CD1-CG2 3.89Å; L562-I622 HydrophobicContact CG-CD1 4.32Å
563	P	83.6	Confident	87.4	Confident	49 Å²	49	58.4 Å²	58.4	32%	0.318	27%	0.271	S	S	.	.			trans	-59.2	137	161.1	-23.7	35.7	0	0	0	109.8	K565 L566 N567	P563-K565 PolarHBondContact O-N 3.29Å; P563-L566 HydrophobicContact CB-CD1 4.28Å; P563-L566 HydrophobicContact CB-CG 4.44Å; P563-L566 HydrophobicContact CG-CD1 4.03Å; P563-L566 WeakPolarHBondContact O-CA 3.32Å; P563-L566 PolarHBondContact O-N 3.33Å; P563-N567 PolarHBondContact O-N 2.89Å
564	W	81.7	Confident	88.1	Confident	177 Å²	177	61.5 Å²	61.5	67%	0.67	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20	-176.6	66.2	-83.6	0	0	0	114.4	L566 V593	W564-L566 VanDerWaalsContact C-N 3.28Å; W564-V593 HydrophobicContact CB-CB 4.14Å; W564-V593 HydrophobicContact CB-CG2 4.25Å
565	K	83.7	Confident	88.4	Confident	147 Å²	147	54.4 Å²	54.4	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.7	171.6	-62.6	-172.3	175.4	-171.3	0	114.7	P563 K571	P563-K565 PolarHBondContact O-N 3.29Å; K565-K571 PolarHBondContact O-NZ 3.36Å
566	L	82.2	Confident	88.5	Confident	49 Å²	49	53.6 Å²	53.6	26%	0.257	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-1.9	-179.9	-59.9	175.4	0	0	0	111.8	P563 W564 D568 F617	P563-L566 HydrophobicContact CB-CD1 4.28Å; P563-L566 HydrophobicContact CB-CG 4.44Å; P563-L566 HydrophobicContact CG-CD1 4.03Å; P563-L566 WeakPolarHBondContact O-CA 3.32Å; P563-L566 PolarHBondContact O-N 3.33Å; W564-L566 VanDerWaalsContact C-N 3.28Å; L566-D568 PolarHBondContact O-N 3.5Å; L566-D568 VanDerWaalsContact O-N 3.12Å; L566-F617 HydrophobicContact CB-CD2 4.21Å; L566-F617 HydrophobicContact CB-CE2 4.41Å; L566-F617 HydrophobicContact CD1-CB 3.81Å; L566-F617 HydrophobicContact CD1-CD2 4.26Å; L566-F617 HydrophobicContact CD1-CG 4.2Å
567	N	86.2	Confident	88.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.			trans	-88.8	57.6	176	-163	-6.4	0	0	0	110.7	L562 P563 A587 R588 V593 S595	L562-N567 HydrophobicContact CB-CB 4.24Å; L562-N567 HydrophobicContact CD2-CB 4.17Å; P563-N567 PolarHBondContact O-N 2.89Å; N567-A587 WeakPolarHBondContact OD1-CA 3.3Å; N567-R588 PolarHBondContact ND2-N 2.94Å; N567-R588 PolarHBondContact O-NE 2.97Å; N567-R588 PolarHBondContact OD1-N 3.14Å; N567-V593 WeakPolarHBondContact CB-O 3.47Å; N567-V593 VanDerWaalsContact ND2-C 3.27Å; N567-V593 PolarHBondContact ND2-O 3.21Å; N567-S595 PolarHBondContact ND2-N 3.1Å; N567-S595 PolarHBondContact ND2-O 3.49Å
568	D	87.9	Confident	88.5	Confident	45 Å²	45	62 Å²	62	24%	0.241	30%	0.295	C	S	.	.			trans	-113.4	137.8	172.4	-53.8	-44.1	0	0	0	107.4	L566 D570 K571 I572 R588	L566-D568 PolarHBondContact O-N 3.5Å; L566-D568 VanDerWaalsContact O-N 3.12Å; D568-D570 VanDerWaalsContact C-N 3.26Å; D568-D570 PolarHBondContact O-N 3.42Å; D568-K571 HydrophobicContact CB-CD 4.29Å; D568-K571 IonicContact OD2-NZ 2.69Å; D568-K571 PolarHBondContact OD2-NZ 3.34Å; D568-I572 WeakPolarHBondContact O-CD1 3.24Å; D568-I572 VanDerWaalsContact O-CG1 3.31Å; D568-I572 WeakPolarHBondContact O-CG1 3.43Å; D568-I572 PolarHBondContact O-N 3.03Å; D568-R588 IonicContact OD1-NH2 2.9Å; D568-R588 PolarHBondContact OD1-NH2 3.2Å
569	A	89.7	Confident	88.4	Confident	31 Å²	31	61.2 Å²	61.2	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-33.7	-168.7	0	0	0	0	0	112.8	I572 R573 V585 A587	A569-I572 PolarHBondContact O-N 3.33Å; A569-R573 WeakPolarHBondContact O-CB 3.29Å; A569-R573 PolarHBondContact O-N 2.98Å; A569-V585 HydrophobicContact CB-CB 4.48Å; A569-V585 HydrophobicContact CB-CG1 4.08Å; A569-A587 HydrophobicContact CB-CB 4.19Å
570	D	90.6	Very high	88.3	Confident	123 Å²	123	61.8 Å²	61.8	66%	0.658	30%	0.299	S	S	*	.	H	α-helix	trans	-73	-47.4	-172.2	-43	-71.3	0	0	0	111.4	D568 I572 R573 E574	D568-D570 VanDerWaalsContact C-N 3.26Å; D568-D570 PolarHBondContact O-N 3.42Å; D570-I572 PolarHBondContact O-N 2.93Å; D570-R573 WeakPolarHBondContact O-CB 3.38Å; D570-R573 PolarHBondContact O-N 3.36Å; D570-R573 VanDerWaalsContact O-N 3.1Å; D570-E574 WeakPolarHBondContact O-CB 3.46Å; D570-E574 PolarHBondContact O-N 3.49Å
571	K	90	Very high	88.5	Confident	77 Å²	77	66.9 Å²	66.9	34%	0.335	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-37.8	172.5	-64.5	171.6	-175.1	154.6	0	111.9	K565 D568 H575 F617	K565-K571 PolarHBondContact O-NZ 3.36Å; D568-K571 HydrophobicContact CB-CD 4.29Å; D568-K571 IonicContact OD2-NZ 2.69Å; D568-K571 PolarHBondContact OD2-NZ 3.34Å; K571-H575 WeakPolarHBondContact O-CB 3.3Å; K571-H575 PolarHBondContact O-N 3.43Å; K571-F617 HydrophobicContact CB-CE1 3.91Å; K571-F617 HydrophobicContact CB-CZ 4.01Å; K571-F617 VanDerWaalsContact O-CE1 3.29Å; K571-F617 WeakPolarHBondContact O-CE1 3.47Å; K571-F617 WeakPolarHBondContact O-CZ 3.49Å
572	I	91.3	Very high	88.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-45.2	176.7	-65.3	168.2	0	0	0	109.9	I559 L562 D568 A569 D570 H575 F576 V585 A596 V598 F617	I559-I572 HydrophobicContact CD1-CG2 4.35Å; L562-I572 HydrophobicContact CD2-CD1 3.57Å; L562-I572 HydrophobicContact CD2-CG1 3.91Å; D568-I572 WeakPolarHBondContact O-CD1 3.24Å; D568-I572 VanDerWaalsContact O-CG1 3.31Å; D568-I572 WeakPolarHBondContact O-CG1 3.43Å; D568-I572 PolarHBondContact O-N 3.03Å; A569-I572 PolarHBondContact O-N 3.33Å; D570-I572 PolarHBondContact O-N 2.93Å; I572-H575 PolarHBondContact O-N 2.88Å; I572-F576 HydrophobicContact CG2-CD2 3.78Å; I572-F576 HydrophobicContact CG2-CE2 3.99Å; I572-F576 VanDerWaalsContact O-CD2 3.25Å; I572-F576 WeakPolarHBondContact O-CD2 3.33Å; I572-F576 PolarHBondContact O-N 2.99Å; I572-V585 HydrophobicContact CB-CG1 3.85Å; I572-V585 HydrophobicContact CD1-CG1 4.48Å; I572-V585 HydrophobicContact CG2-CG1 3.56Å; I572-A596 HydrophobicContact CD1-CB 3.8Å; I572-V598 HydrophobicContact CG2-CG2 3.44Å; I572-V598 VanDerWaalsContact CG2-CG2 3.44Å; I572-F617 HydrophobicContact CG1-CE2 4.28Å; I572-F617 HydrophobicContact CG1-CZ 4.06Å
573	R	93	Very high	88.8	Confident	98 Å²	98	66.2 Å²	66.2	37%	0.37	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-48	176.5	-169.2	179.6	-68	-88.3	5.7	111.3	A569 D570 F576 S577 V582 I583 V585	A569-R573 WeakPolarHBondContact O-CB 3.29Å; A569-R573 PolarHBondContact O-N 2.98Å; D570-R573 WeakPolarHBondContact O-CB 3.38Å; D570-R573 PolarHBondContact O-N 3.36Å; D570-R573 VanDerWaalsContact O-N 3.1Å; R573-F576 PolarHBondContact O-N 3.45Å; R573-S577 VanDerWaalsContact O-CB 3.32Å; R573-S577 WeakPolarHBondContact O-CB 3.47Å; R573-S577 PolarHBondContact O-N 3.45Å; R573-V582 HydrophobicContact CG-CB 4.39Å; R573-V582 HydrophobicContact CG-CG1 4.42Å; R573-V582 PolarHBondContact NH1-O 2.93Å; R573-I583 PolarHBondContact NH1-O 2.92Å; R573-I583 PolarHBondContact NH2-O 2.89Å; R573-V585 HydrophobicContact CB-CG2 4.01Å; R573-V585 HydrophobicContact CG-CG2 4.39Å
574	E	91.3	Very high	89.1	Confident	146 Å²	146	66.8 Å²	66.8	68%	0.682	33%	0.325	S	S	*	.	H	α-helix	trans	-52.5	-54.8	174.2	-179	-173.6	-168.8	0	0	111.3	D570 F576 S577	D570-E574 WeakPolarHBondContact O-CB 3.46Å; D570-E574 PolarHBondContact O-N 3.49Å; E574-F576 VanDerWaalsContact C-N 3.3Å; E574-F576 PolarHBondContact O-N 3.35Å; E574-S577 PolarHBondContact O-N 3.2Å
575	H	89.2	Confident	89.6	Confident	23 Å²	23	59 Å²	59	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-33.5	-179.9	-174.9	-80.5	0	0	0	113.4	K571 I572 Q578 F617	K571-H575 WeakPolarHBondContact O-CB 3.3Å; K571-H575 PolarHBondContact O-N 3.43Å; I572-H575 PolarHBondContact O-N 2.88Å; H575-Q578 WeakPolarHBondContact O-CG 3.44Å; H575-Q578 PolarHBondContact O-NE2 3.02Å; H575-F617 HydrophobicContact CB-CE1 3.88Å; H575-F617 HydrophobicContact CB-CZ 4.14Å
576	F	91.5	Very high	89.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-88.7	-20.8	-179.7	-77.6	-66.3	0	0	0	114.4	L557 I559 I572 R573 E574 Q578 F579 V582 V598 F600 A609 M616 I624	L557-F576 HydrophobicContact CD1-CE1 4.45Å; I559-F576 HydrophobicContact CD1-CD2 4.43Å; I559-F576 HydrophobicContact CD1-CE2 3.4Å; I559-F576 VanDerWaalsContact CD1-CE2 3.4Å; I559-F576 HydrophobicContact CD1-CZ 3.78Å; I559-F576 HydrophobicContact CG1-CE2 4.45Å; I559-F576 HydrophobicContact CG1-CZ 4.38Å; I572-F576 HydrophobicContact CG2-CD2 3.78Å; I572-F576 HydrophobicContact CG2-CE2 3.99Å; I572-F576 VanDerWaalsContact O-CD2 3.25Å; I572-F576 WeakPolarHBondContact O-CD2 3.33Å; I572-F576 PolarHBondContact O-N 2.99Å; R573-F576 PolarHBondContact O-N 3.45Å; E574-F576 VanDerWaalsContact C-N 3.3Å; E574-F576 PolarHBondContact O-N 3.35Å; F576-Q578 PolarHBondContact O-N 3Å; F576-Q578 VanDerWaalsContact O-N 3.13Å; F576-F579 HydrophobicContact CD1-CD2 4.02Å; F576-F579 HydrophobicContact CD1-CE2 4.34Å; F576-F579 PolarHBondContact O-N 2.94Å; F576-V582 HydrophobicContact CB-CG2 3.72Å; F576-V598 HydrophobicContact CB-CG1 4.17Å; F576-V598 HydrophobicContact CD2-CB 4.39Å; F576-V598 HydrophobicContact CD2-CG1 4.14Å; F576-V598 HydrophobicContact CD2-CG2 3.77Å; F576-V598 HydrophobicContact CE2-CG2 3.97Å; F576-V598 HydrophobicContact CG-CG1 4.14Å; F576-F600 HydrophobicContact CB-CE1 4.32Å; F576-F600 HydrophobicContact CB-CZ 3.77Å; F576-F600 HydrophobicContact CD1-CE2 4.3Å; F576-F600 AromaticContact CD1-CZ 3.75Å; F576-F600 HydrophobicContact CD1-CZ 3.75Å; F576-F600 HydrophobicContact CG-CZ 4.04Å; F576-A609 HydrophobicContact CD1-CB 3.9Å; F576-A609 HydrophobicContact CE1-CB 4.08Å; F576-M616 HydrophobicContact CE2-CE 3.4Å; F576-M616 HydrophobicContact CE2-SD 4.14Å; F576-M616 HydrophobicContact CZ-CE 3.5Å; F576-M616 HydrophobicContact CZ-SD 3.59Å; F576-M616 VanDerWaalsContact CZ-SD 3.59Å; F576-I624 HydrophobicContact CE1-CD1 4.15Å; F576-I624 HydrophobicContact CZ-CD1 4.15Å
577	S	91.8	Very high	90.1	Very high	73 Å²	73	54.7 Å²	54.7	51%	0.51	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-18.7	177.1	-166	0	0	0	0	113.5	R573 E574 F579	R573-S577 VanDerWaalsContact O-CB 3.32Å; R573-S577 WeakPolarHBondContact O-CB 3.47Å; R573-S577 PolarHBondContact O-N 3.45Å; E574-S577 PolarHBondContact O-N 3.2Å; S577-F579 PolarHBondContact O-N 3.5Å
578	Q	90	Very high	90	Very high	107 Å²	107	60.9 Å²	60.9	50%	0.5	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15	174.4	79.9	-172.8	-65	0	0	113.7	H575 F576	H575-Q578 WeakPolarHBondContact O-CG 3.44Å; H575-Q578 PolarHBondContact O-NE2 3.02Å; F576-Q578 PolarHBondContact O-N 3Å; F576-Q578 VanDerWaalsContact O-N 3.13Å
579	F	89.4	Confident	89.7	Confident	30 Å²	30	61.3 Å²	61.3	13%	0.132	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-14.7	-177.7	-55.8	-65.1	0	0	0	113.8	F576 S577 F600 K608 A609 S612 I614	F576-F579 HydrophobicContact CD1-CD2 4.02Å; F576-F579 HydrophobicContact CD1-CE2 4.34Å; F576-F579 PolarHBondContact O-N 2.94Å; S577-F579 PolarHBondContact O-N 3.5Å; F579-F600 HydrophobicContact CB-CE1 4.46Å; F579-K608 HydrophobicContact CB-CB 4.42Å; F579-A609 HydrophobicContact CB-CB 3.81Å; F579-A609 HydrophobicContact CD2-CB 3.63Å; F579-A609 HydrophobicContact CE2-CB 4.38Å; F579-A609 HydrophobicContact CG-CB 3.78Å; F579-S612 VanDerWaalsContact CZ-CB 3.5Å; F579-S612 WeakPolarHBondContact CZ-OG 3.42Å; F579-I614 HydrophobicContact CE1-CD1 4.4Å; F579-I614 HydrophobicContact CZ-CD1 4.35Å
580	G	89.3	Confident	89.2	Confident	16 Å²	16	65.8 Å²	65.8	17%	0.165	32%	0.32	C	S	.	.	S	Bend	trans	157.2	-178.7	-177.7	0	0	0	0	0	113.2	V582 E605	G580-V582 PolarHBondContact O-N 3.33Å; G580-E605 WeakPolarHBondContact CA-OE1 3.21Å
581	H	91.2	Very high	88.5	Confident	128 Å²	128	63.1 Å²	63.1	59%	0.593	32%	0.321	S	S	*	.			trans	-77.9	113.3	-175.1	-166.1	85.8	0	0	0	111.6	S601 E605	H581-S601 PolarHBondContact O-N 2.99Å; H581-E605 VanDerWaalsContact N-CD 3.32Å; H581-E605 PolarHBondContact N-OE1 3.08Å
582	V	91.3	Very high	88	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.048	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.5	-179	179.7	0	0	0	0	110.1	R573 F576 G580 V585 V598 E599 F600	R573-V582 HydrophobicContact CG-CB 4.39Å; R573-V582 HydrophobicContact CG-CG1 4.42Å; R573-V582 PolarHBondContact NH1-O 2.93Å; F576-V582 HydrophobicContact CB-CG2 3.72Å; G580-V582 PolarHBondContact O-N 3.33Å; V582-V585 HydrophobicContact CG1-CG2 3.52Å; V582-V598 HydrophobicContact CG1-CG1 3.74Å; V582-V598 HydrophobicContact CG2-CG1 4.31Å; V582-E599 CarbonylContact C-O 3.59Å; V582-F600 HydrophobicContact CG2-CD1 4.15Å; V582-F600 HydrophobicContact CG2-CE1 3.76Å; V582-F600 HydrophobicContact CG2-CZ 4.22Å
583	I	90.6	Very high	87.7	Confident	64 Å²	64	67.7 Å²	67.7	33%	0.328	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-64.5	172.4	-59.2	177.9	0	0	0	108.8	R573 E599	R573-I583 PolarHBondContact NH1-O 2.92Å; R573-I583 PolarHBondContact NH2-O 2.89Å; I583-E599 HydrophobicContact CB-CG 4.48Å; I583-E599 PolarHBondContact N-O 3.35Å
584	N	90	Very high	87.3	Confident	61 Å²	61	63.8 Å²	63.8	33%	0.326	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.5	-163.5	-162.9	-0.6	0	0	0	111.8	V598 E599	N584-V598 WeakPolarHBondContact O-CA 3.47Å; N584-E599 HydrophobicContact CB-CB 3.71Å; N584-E599 VanDerWaalsContact CB-OE2 3.22Å; N584-E599 WeakPolarHBondContact CB-OE2 3.37Å; N584-E599 PolarHBondContact N-O 3.08Å; N584-E599 PolarHBondContact ND2-OE2 2.88Å; N584-E599 PolarHBondContact O-N 3.45Å
585	V	91.6	Very high	87.2	Confident	14 Å²	14	57.1 Å²	57.1	9%	0.085	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.1	175.4	-178.7	0	0	0	0	109.3	A569 I572 R573 V582 A587 V597 V598	A569-V585 HydrophobicContact CB-CB 4.48Å; A569-V585 HydrophobicContact CB-CG1 4.08Å; I572-V585 HydrophobicContact CB-CG1 3.85Å; I572-V585 HydrophobicContact CD1-CG1 4.48Å; I572-V585 HydrophobicContact CG2-CG1 3.56Å; R573-V585 HydrophobicContact CB-CG2 4.01Å; R573-V585 HydrophobicContact CG-CG2 4.39Å; V582-V585 HydrophobicContact CG1-CG2 3.52Å; V585-A587 PolarHBondContact O-N 3.01Å; V585-V597 CarbonylContact C-O 3.56Å; V585-V597 WeakPolarHBondContact CA-O 3.32Å; V585-V598 HydrophobicContact CG1-CG2 4.33Å; V585-V598 HydrophobicContact CG2-CG2 4.33Å
586	I	89.4	Confident	87.3	Confident	74 Å²	74	56 Å²	56	38%	0.379	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	88.4	176.6	-50	178.1	0	0	0	108.4	Y589 A596 V597	I586-Y589 HydrophobicContact CB-CD2 4.39Å; I586-Y589 HydrophobicContact CG2-CD2 4.02Å; I586-A596 WeakPolarHBondContact O-CA 3.39Å; I586-V597 HydrophobicContact CB-CB 4.41Å; I586-V597 PolarHBondContact N-O 3.01Å; I586-V597 PolarHBondContact O-N 3.07Å
587	A	87.3	Confident	87.4	Confident	30 Å²	30	56.5 Å²	56.5	25%	0.248	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	151.1	169.6	0	0	0	0	0	111.1	N567 A569 V585 Y589	N567-A587 WeakPolarHBondContact OD1-CA 3.3Å; A569-A587 HydrophobicContact CB-CB 4.19Å; V585-A587 PolarHBondContact O-N 3.01Å; A587-Y589 VanDerWaalsContact C-N 3.26Å; A587-Y589 PolarHBondContact O-N 2.86Å
588	R	83.4	Confident	87.4	Confident	131 Å²	131	53 Å²	53	49%	0.494	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.1	177.4	-51.2	176.4	-168.6	173.2	4.5	113.7	N567 D568 G591 M592 S595	N567-R588 PolarHBondContact ND2-N 2.94Å; N567-R588 PolarHBondContact O-NE 2.97Å; N567-R588 PolarHBondContact OD1-N 3.14Å; D568-R588 IonicContact OD1-NH2 2.9Å; D568-R588 PolarHBondContact OD1-NH2 3.2Å; R588-G591 WeakPolarHBondContact O-CA 3.47Å; R588-G591 PolarHBondContact O-N 3.2Å; R588-M592 WeakPolarHBondContact CA-O 3.18Å; R588-S595 CarbonylContact C-O 3.21Å; R588-S595 WeakPolarHBondContact CA-O 3.36Å; R588-S595 PolarHBondContact N-O 3.05Å; R588-S595 VanDerWaalsContact N-O 3.12Å
589	Y	82.4	Confident	87.5	Confident	53 Å²	53	48.9 Å²	48.9	21%	0.208	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-52.5	137.4	-174.3	-177.5	-107.4	0	0	0	112.7	Y558 I586 A587 G591 M592 S595 V597 F628	Y558-Y589 HydrophobicContact CD1-CE1 4.17Å; Y558-Y589 HydrophobicContact CE1-CE1 4.1Å; I586-Y589 HydrophobicContact CB-CD2 4.39Å; I586-Y589 HydrophobicContact CG2-CD2 4.02Å; A587-Y589 VanDerWaalsContact C-N 3.26Å; A587-Y589 PolarHBondContact O-N 2.86Å; Y589-G591 PolarHBondContact O-N 2.75Å; Y589-G591 VanDerWaalsContact O-N 3.12Å; Y589-M592 PolarHBondContact O-N 2.99Å; Y589-S595 PolarHBondContact N-O 3.08Å; Y589-V597 HydrophobicContact CD1-CG2 3.6Å; Y589-V597 HydrophobicContact CD2-CB 4.12Å; Y589-V597 HydrophobicContact CD2-CG2 3.54Å; Y589-V597 HydrophobicContact CE1-CG2 3.84Å; Y589-V597 HydrophobicContact CE2-CB 4.48Å; Y589-V597 HydrophobicContact CE2-CG2 3.8Å; Y589-V597 HydrophobicContact CG-CB 4.34Å; Y589-V597 HydrophobicContact CG-CG2 3.44Å; Y589-V597 VanDerWaalsContact CG-CG2 3.44Å; Y589-F628 HydrophobicContact CE1-CD2 4.1Å; Y589-F628 AromaticContact CE1-CE2 3.93Å; Y589-F628 HydrophobicContact CE1-CE2 3.93Å
590	K	78.7	Confident	87.7	Confident	126 Å²	126	47.5 Å²	47.5	55%	0.548	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	53.1	25.5	-173.3	-69.9	172.4	178.6	162.1	0	114.2	M592 F628	K590-M592 PolarHBondContact O-N 3.13Å; K590-F628 HydrophobicContact CD-CE2 3.99Å; K590-F628 HydrophobicContact CD-CZ 4Å
591	G	76.1	Confident	87.8	Confident	66 Å²	66	49.9 Å²	49.9	68%	0.68	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	75.8	6.1	-178.6	0	0	0	0	0	114.2	R588 Y589 V593	R588-G591 WeakPolarHBondContact O-CA 3.47Å; R588-G591 PolarHBondContact O-N 3.2Å; Y589-G591 PolarHBondContact O-N 2.75Å; Y589-G591 VanDerWaalsContact O-N 3.12Å; G591-V593 PolarHBondContact O-N 2.85Å
592	M	80.5	Confident	87.8	Confident	82 Å²	82	45.8 Å²	45.8	40%	0.404	26%	0.259	S	S	.	.			trans	-84.8	109.5	178.4	-67.1	-172.8	58.2	0	0	109.6	R588 Y589 K590 G594 S595 F632	R588-M592 WeakPolarHBondContact CA-O 3.18Å; Y589-M592 PolarHBondContact O-N 2.99Å; K590-M592 PolarHBondContact O-N 3.13Å; M592-G594 PolarHBondContact O-N 2.69Å; M592-S595 WeakPolarHBondContact CB-OG 3.26Å; M592-S595 PolarHBondContact O-N 2.82Å; M592-F632 HydrophobicContact CE-CD1 4.06Å; M592-F632 HydrophobicContact CE-CE1 3.71Å; M592-F632 HydrophobicContact SD-CD1 3.97Å; M592-F632 HydrophobicContact SD-CE1 3.97Å
593	V	83.4	Confident	87.8	Confident	91 Å²	91	47 Å²	47	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-10.9	-177.2	-62	0	0	0	0	114.8	W564 N567 G591	W564-V593 HydrophobicContact CB-CB 4.14Å; W564-V593 HydrophobicContact CB-CG2 4.25Å; N567-V593 WeakPolarHBondContact CB-O 3.47Å; N567-V593 VanDerWaalsContact ND2-C 3.27Å; N567-V593 PolarHBondContact ND2-O 3.21Å; G591-V593 PolarHBondContact O-N 2.85Å
594	G	85.1	Confident	87.8	Confident	17 Å²	17	49 Å²	49	18%	0.175	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	17	174.5	0	0	0	0	0	115.3	D560 R561 L562 M592	D560-G594 CarbonylContact C-O 3.46Å; R561-G594 CarbonylContact C-O 3.59Å; R561-G594 WeakPolarHBondContact CA-O 3.48Å; R561-G594 PolarHBondContact N-O 2.66Å; L562-G594 PolarHBondContact N-O 2.86Å; L562-G594 WeakPolarHBondContact O-CA 3.26Å; M592-G594 PolarHBondContact O-N 2.69Å
595	S	90	Very high	87.9	Confident	5 Å²	5	47.5 Å²	47.5	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.5	175.5	-43.8	0	0	0	0	110.8	I559 D560 N567 R588 Y589 M592	I559-S595 CarbonylContact O-C 3.25Å; I559-S595 WeakPolarHBondContact O-CA 3.47Å; I559-S595 WeakPolarHBondContact O-CB 3.49Å; D560-S595 PolarHBondContact OD1-OG 2.92Å; D560-S595 VanDerWaalsContact OD1-OG 3.08Å; N567-S595 PolarHBondContact ND2-N 3.1Å; N567-S595 PolarHBondContact ND2-O 3.49Å; R588-S595 CarbonylContact C-O 3.21Å; R588-S595 WeakPolarHBondContact CA-O 3.36Å; R588-S595 PolarHBondContact N-O 3.05Å; R588-S595 VanDerWaalsContact N-O 3.12Å; Y589-S595 PolarHBondContact N-O 3.08Å; M592-S595 WeakPolarHBondContact CB-OG 3.26Å; M592-S595 PolarHBondContact O-N 2.82Å
596	A	91.2	Very high	87.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.3	-179.7	0	0	0	0	0	110.8	I559 L562 I572 I586	I559-A596 HydrophobicContact CD1-CB 4.28Å; I559-A596 PolarHBondContact N-O 3.03Å; I559-A596 PolarHBondContact O-N 3.44Å; L562-A596 HydrophobicContact CD2-CB 4.41Å; I572-A596 HydrophobicContact CD1-CB 3.8Å; I586-A596 WeakPolarHBondContact O-CA 3.39Å
597	V	92.1	Very high	87.9	Confident	10 Å²	10	46.9 Å²	46.9	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.8	173.9	173.9	0	0	0	0	109.7	T556 L557 Y558 V585 I586 Y589	T556-V597 HydrophobicContact CG2-CG1 3.44Å; T556-V597 VanDerWaalsContact CG2-CG1 3.44Å; L557-V597 WeakPolarHBondContact O-CA 3.21Å; Y558-V597 HydrophobicContact CD1-CG2 3.43Å; Y558-V597 VanDerWaalsContact CD1-CG2 3.43Å; Y558-V597 HydrophobicContact CE1-CG1 4.45Å; Y558-V597 HydrophobicContact CE1-CG2 3.8Å; Y558-V597 HydrophobicContact CG-CG2 4.25Å; V585-V597 CarbonylContact C-O 3.56Å; V585-V597 WeakPolarHBondContact CA-O 3.32Å; I586-V597 HydrophobicContact CB-CB 4.41Å; I586-V597 PolarHBondContact N-O 3.01Å; I586-V597 PolarHBondContact O-N 3.07Å; Y589-V597 HydrophobicContact CD1-CG2 3.6Å; Y589-V597 HydrophobicContact CD2-CB 4.12Å; Y589-V597 HydrophobicContact CD2-CG2 3.54Å; Y589-V597 HydrophobicContact CE1-CG2 3.84Å; Y589-V597 HydrophobicContact CE2-CB 4.48Å; Y589-V597 HydrophobicContact CE2-CG2 3.8Å; Y589-V597 HydrophobicContact CG-CB 4.34Å; Y589-V597 HydrophobicContact CG-CG2 3.44Å; Y589-V597 VanDerWaalsContact CG-CG2 3.44Å
598	V	92.7	Very high	88.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.3	-178.8	177.2	0	0	0	0	109.3	T556 L557 I559 I572 F576 V582 N584 V585 F600	T556-V598 CarbonylContact C-O 2.99Å; T556-V598 WeakPolarHBondContact CA-O 3.45Å; L557-V598 PolarHBondContact N-O 3.46Å; L557-V598 PolarHBondContact O-N 3.17Å; I559-V598 HydrophobicContact CD1-CB 4.49Å; I559-V598 HydrophobicContact CD1-CG2 3.63Å; I572-V598 HydrophobicContact CG2-CG2 3.44Å; I572-V598 VanDerWaalsContact CG2-CG2 3.44Å; F576-V598 HydrophobicContact CB-CG1 4.17Å; F576-V598 HydrophobicContact CD2-CB 4.39Å; F576-V598 HydrophobicContact CD2-CG1 4.14Å; F576-V598 HydrophobicContact CD2-CG2 3.77Å; F576-V598 HydrophobicContact CE2-CG2 3.97Å; F576-V598 HydrophobicContact CG-CG1 4.14Å; V582-V598 HydrophobicContact CG1-CG1 3.74Å; V582-V598 HydrophobicContact CG2-CG1 4.31Å; N584-V598 WeakPolarHBondContact O-CA 3.47Å; V585-V598 HydrophobicContact CG1-CG2 4.33Å; V585-V598 HydrophobicContact CG2-CG2 4.33Å; V598-F600 HydrophobicContact CG1-CD2 4.22Å; V598-F600 HydrophobicContact CG1-CE2 3.73Å; V598-F600 HydrophobicContact CG1-CZ 4.18Å
599	E	91.7	Very high	88.5	Confident	20 Å²	20	45.2 Å²	45.2	9%	0.093	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123	-177.6	-169.3	-177.4	168.6	0	0	109.2	V582 I583 N584	V582-E599 CarbonylContact C-O 3.59Å; I583-E599 HydrophobicContact CB-CG 4.48Å; I583-E599 PolarHBondContact N-O 3.35Å; N584-E599 HydrophobicContact CB-CB 3.71Å; N584-E599 VanDerWaalsContact CB-OE2 3.22Å; N584-E599 WeakPolarHBondContact CB-OE2 3.37Å; N584-E599 PolarHBondContact N-O 3.08Å; N584-E599 PolarHBondContact ND2-OE2 2.88Å; N584-E599 PolarHBondContact O-N 3.45Å
600	F	93.5	Very high	88.8	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	162.6	179.7	-74.9	-90.2	0	0	0	112.7	T555 L557 F576 F579 V582 V598 E605 A606 A609	T555-F600 WeakPolarHBondContact CB-O 3.48Å; T555-F600 PolarHBondContact O-N 2.93Å; L557-F600 HydrophobicContact CD1-CD2 4.42Å; L557-F600 HydrophobicContact CD1-CE2 3.72Å; L557-F600 HydrophobicContact CG-CD2 4.45Å; L557-F600 HydrophobicContact CG-CE2 4.16Å; F576-F600 HydrophobicContact CB-CE1 4.32Å; F576-F600 HydrophobicContact CB-CZ 3.77Å; F576-F600 HydrophobicContact CD1-CE2 4.3Å; F576-F600 AromaticContact CD1-CZ 3.75Å; F576-F600 HydrophobicContact CD1-CZ 3.75Å; F576-F600 HydrophobicContact CG-CZ 4.04Å; F579-F600 HydrophobicContact CB-CE1 4.46Å; V582-F600 HydrophobicContact CG2-CD1 4.15Å; V582-F600 HydrophobicContact CG2-CE1 3.76Å; V582-F600 HydrophobicContact CG2-CZ 4.22Å; V598-F600 HydrophobicContact CG1-CD2 4.22Å; V598-F600 HydrophobicContact CG1-CE2 3.73Å; V598-F600 HydrophobicContact CG1-CZ 4.18Å; F600-E605 HydrophobicContact CB-CB 4.02Å; F600-E605 HydrophobicContact CD1-CB 3.56Å; F600-E605 HydrophobicContact CE1-CB 4.27Å; F600-E605 HydrophobicContact CG-CB 4Å; F600-A606 HydrophobicContact CB-CB 4.27Å; F600-A606 HydrophobicContact CD2-CB 3.79Å; F600-A606 HydrophobicContact CE2-CB 4.49Å; F600-A606 HydrophobicContact CG-CB 4.24Å; F600-A609 HydrophobicContact CE2-CB 4.08Å; F600-A609 HydrophobicContact CZ-CB 3.69Å
601	S	91.8	Very high	89.4	Confident	65 Å²	65	50.3 Å²	50.3	46%	0.455	27%	0.272	S	S	.	.	S	Bend	trans	-71.1	-33.1	175	82.6	0	0	0	0	112.9	H581 E605	H581-S601 PolarHBondContact O-N 2.99Å; S601-E605 WeakPolarHBondContact CB-OE2 3.37Å; S601-E605 PolarHBondContact N-OE2 3.3Å; S601-E605 VanDerWaalsContact N-OE2 3.15Å; S601-E605 PolarHBondContact OG-OE1 2.93Å; S601-E605 PolarHBondContact OG-OE2 3.38Å
602	S	90.2	Very high	89.9	Confident	43 Å²	43	48.5 Å²	48.5	30%	0.301	25%	0.248	S	C	.	.	S	Bend	trans	-129.6	150.6	177.5	173	0	0	0	0	112.9	D604 E605 A606	S602-D604 PolarHBondContact O-N 2.68Å; S602-D604 PolarHBondContact OG-N 3.39Å; S602-E605 PolarHBondContact N-OE2 3.34Å; S602-E605 PolarHBondContact O-N 2.96Å; S602-A606 PolarHBondContact O-N 2.85Å
603	S	91.6	Very high	90.1	Very high	33 Å²	33	50.5 Å²	50.5	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-32.5	171.9	-173.3	0	0	0	0	112	R554 E605 A606 E607	R554-S603 WeakPolarHBondContact CB-OG 3.36Å; S603-E605 VanDerWaalsContact C-N 3.31Å; S603-E605 PolarHBondContact O-N 2.83Å; S603-A606 PolarHBondContact O-N 3.22Å; S603-E607 WeakPolarHBondContact O-CB 3.42Å; S603-E607 WeakPolarHBondContact O-CG 3.25Å; S603-E607 PolarHBondContact O-N 2.95Å
604	D	90.6	Very high	90	Very high	105 Å²	105	50 Å²	50	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-71.4	-28.7	-179.1	-63.9	-33	0	0	0	112.1	S602 K608	S602-D604 PolarHBondContact O-N 2.68Å; S602-D604 PolarHBondContact OG-N 3.39Å; D604-K608 WeakPolarHBondContact O-CB 3.31Å; D604-K608 WeakPolarHBondContact O-CD 3.47Å; D604-K608 WeakPolarHBondContact O-CG 3.49Å; D604-K608 PolarHBondContact O-N 3.06Å
605	E	92.6	Very high	89.8	Confident	30 Å²	30	52.1 Å²	52.1	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-73.2	-43.9	175.9	-59.9	176.6	132.4	0	0	110.7	G580 H581 F600 S601 S602 S603 E607 K608 A609	G580-E605 WeakPolarHBondContact CA-OE1 3.21Å; H581-E605 VanDerWaalsContact N-CD 3.32Å; H581-E605 PolarHBondContact N-OE1 3.08Å; F600-E605 HydrophobicContact CB-CB 4.02Å; F600-E605 HydrophobicContact CD1-CB 3.56Å; F600-E605 HydrophobicContact CE1-CB 4.27Å; F600-E605 HydrophobicContact CG-CB 4Å; S601-E605 WeakPolarHBondContact CB-OE2 3.37Å; S601-E605 PolarHBondContact N-OE2 3.3Å; S601-E605 VanDerWaalsContact N-OE2 3.15Å; S601-E605 PolarHBondContact OG-OE1 2.93Å; S601-E605 PolarHBondContact OG-OE2 3.38Å; S602-E605 PolarHBondContact N-OE2 3.34Å; S602-E605 PolarHBondContact O-N 2.96Å; S603-E605 VanDerWaalsContact C-N 3.31Å; S603-E605 PolarHBondContact O-N 2.83Å; E605-E607 VanDerWaalsContact C-N 3.32Å; E605-E607 PolarHBondContact O-N 2.97Å; E605-K608 PolarHBondContact O-N 3.42Å; E605-A609 WeakPolarHBondContact O-CB 3.28Å; E605-A609 PolarHBondContact O-N 3.08Å
606	A	91.7	Very high	89.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-40.1	172	0	0	0	0	0	111.7	R554 L557 F600 S602 S603 Y610	R554-A606 WeakPolarHBondContact O-CB 3.45Å; L557-A606 HydrophobicContact CD2-CB 4.1Å; L557-A606 HydrophobicContact CG-CB 4.14Å; F600-A606 HydrophobicContact CB-CB 4.27Å; F600-A606 HydrophobicContact CD2-CB 3.79Å; F600-A606 HydrophobicContact CE2-CB 4.49Å; F600-A606 HydrophobicContact CG-CB 4.24Å; S602-A606 PolarHBondContact O-N 2.85Å; S603-A606 PolarHBondContact O-N 3.22Å; A606-Y610 VanDerWaalsContact O-CB 3.28Å; A606-Y610 WeakPolarHBondContact O-CB 3.48Å; A606-Y610 PolarHBondContact O-N 2.91Å
607	E	90.3	Very high	89.1	Confident	74 Å²	74	54.4 Å²	54.4	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-67.6	-41.4	173.7	-77	-127.3	-159.5	0	0	112.8	S603 E605 Y610 R611	S603-E607 WeakPolarHBondContact O-CB 3.42Å; S603-E607 WeakPolarHBondContact O-CG 3.25Å; S603-E607 PolarHBondContact O-N 2.95Å; E605-E607 VanDerWaalsContact C-N 3.32Å; E605-E607 PolarHBondContact O-N 2.97Å; E607-Y610 PolarHBondContact O-N 2.86Å; E607-R611 VanDerWaalsContact O-CB 3.25Å; E607-R611 WeakPolarHBondContact O-CB 3.46Å; E607-R611 WeakPolarHBondContact O-CG 3.47Å; E607-R611 PolarHBondContact O-N 3.22Å; E607-R611 IonicContact OE2-CZ 2.9Å; E607-R611 IonicContact OE2-NE 3.19Å; E607-R611 PolarHBondContact OE2-NE 3.06Å; E607-R611 IonicContact OE2-NH2 2.67Å; E607-R611 PolarHBondContact OE2-NH2 2.84Å
608	K	90.8	Very high	88.6	Confident	127 Å²	127	59.5 Å²	59.5	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-58.5	-47.6	173.2	-76.2	162.8	-170.3	171.7	0	111.5	F579 D604 E605 R611 S612	F579-K608 HydrophobicContact CB-CB 4.42Å; D604-K608 WeakPolarHBondContact O-CB 3.31Å; D604-K608 WeakPolarHBondContact O-CD 3.47Å; D604-K608 WeakPolarHBondContact O-CG 3.49Å; D604-K608 PolarHBondContact O-N 3.06Å; E605-K608 PolarHBondContact O-N 3.42Å; K608-R611 PolarHBondContact O-N 2.85Å; K608-S612 PolarHBondContact O-N 2.76Å
609	A	90.8	Very high	88.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-45.5	177.3	0	0	0	0	0	112.1	L557 F576 F579 F600 E605 S612	L557-A609 HydrophobicContact CD1-CB 3.77Å; F576-A609 HydrophobicContact CD1-CB 3.9Å; F576-A609 HydrophobicContact CE1-CB 4.08Å; F579-A609 HydrophobicContact CB-CB 3.81Å; F579-A609 HydrophobicContact CD2-CB 3.63Å; F579-A609 HydrophobicContact CE2-CB 4.38Å; F579-A609 HydrophobicContact CG-CB 3.78Å; F600-A609 HydrophobicContact CE2-CB 4.08Å; F600-A609 HydrophobicContact CZ-CB 3.69Å; E605-A609 WeakPolarHBondContact O-CB 3.28Å; E605-A609 PolarHBondContact O-N 3.08Å; A609-S612 WeakPolarHBondContact O-CB 3.42Å; A609-S612 PolarHBondContact O-N 3.42Å; A609-S612 PolarHBondContact O-OG 2.94Å
610	Y	90.2	Very high	87.8	Confident	113 Å²	113	66.1 Å²	66.1	44%	0.443	35%	0.345	S	S	.	.	H	α-helix	trans	-67.9	-33.4	178.7	177.8	-101.8	0	0	0	113.7	A606 E607 S612 I624 T626	A606-Y610 VanDerWaalsContact O-CB 3.28Å; A606-Y610 WeakPolarHBondContact O-CB 3.48Å; A606-Y610 PolarHBondContact O-N 2.91Å; E607-Y610 PolarHBondContact O-N 2.86Å; Y610-S612 VanDerWaalsContact C-N 3.34Å; Y610-I624 HydrophobicContact CD2-CB 4.12Å; Y610-I624 HydrophobicContact CD2-CG2 3.94Å; Y610-T626 HydrophobicContact CD1-CG2 3.9Å; Y610-T626 HydrophobicContact CD2-CG2 3.82Å; Y610-T626 HydrophobicContact CE1-CG2 4.28Å; Y610-T626 HydrophobicContact CE2-CG2 4.19Å; Y610-T626 HydrophobicContact CG-CG2 3.67Å
611	R	89.9	Confident	87.3	Confident	173 Å²	173	68.3 Å²	68.3	65%	0.653	35%	0.354	S	S	*	.	H	α-helix	trans	-84.4	-5.1	176.8	-66.5	172.4	-175.4	-125.7	9.7	113.4	E607 K608	E607-R611 VanDerWaalsContact O-CB 3.25Å; E607-R611 WeakPolarHBondContact O-CB 3.46Å; E607-R611 WeakPolarHBondContact O-CG 3.47Å; E607-R611 PolarHBondContact O-N 3.22Å; E607-R611 IonicContact OE2-CZ 2.9Å; E607-R611 IonicContact OE2-NE 3.19Å; E607-R611 PolarHBondContact OE2-NE 3.06Å; E607-R611 IonicContact OE2-NH2 2.67Å; E607-R611 PolarHBondContact OE2-NH2 2.84Å; K608-R611 PolarHBondContact O-N 2.85Å
612	S	87.5	Confident	87.2	Confident	28 Å²	28	66 Å²	66	20%	0.196	34%	0.336	C	S	.	.			trans	-66.1	136.2	-176.5	71.4	0	0	0	0	111.8	F579 K608 A609 Y610 I614	F579-S612 VanDerWaalsContact CZ-CB 3.5Å; F579-S612 WeakPolarHBondContact CZ-OG 3.42Å; K608-S612 PolarHBondContact O-N 2.76Å; A609-S612 WeakPolarHBondContact O-CB 3.42Å; A609-S612 PolarHBondContact O-N 3.42Å; A609-S612 PolarHBondContact O-OG 2.94Å; Y610-S612 VanDerWaalsContact C-N 3.34Å; S612-I614 PolarHBondContact O-N 2.87Å
613	P	83.7	Confident	87	Confident	124 Å²	124	68.2 Å²	68.2	81%	0.805	34%	0.338	S	S	*	.			trans	-81.9	-3	176	34	-36	0	0	0	113	P615	P613-P615 WeakPolarHBondContact O-CD 3.2Å
614	I	82.4	Confident	86.9	Confident	79 Å²	79	68.2 Å²	68.2	41%	0.405	34%	0.335	S	S	.	.	S	Bend	trans	-76.8	120.4	-172.1	-58.5	176.2	0	0	0	109.3	F579 S612 M616	F579-I614 HydrophobicContact CE1-CD1 4.4Å; F579-I614 HydrophobicContact CZ-CD1 4.35Å; S612-I614 PolarHBondContact O-N 2.87Å; I614-M616 PolarHBondContact O-N 3.35Å
615	P	81	Confident	86.8	Confident	62 Å²	62	65.8 Å²	65.8	40%	0.403	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67	116.6	178.2	-20.9	34	0	0	0	111.7	P613 F617 S618 R620	P613-P615 WeakPolarHBondContact O-CD 3.2Å; P615-F617 PolarHBondContact O-N 3.32Å; P615-F617 VanDerWaalsContact O-N 3.16Å; P615-S618 PolarHBondContact O-N 3.16Å; P615-R620 HydrophobicContact CB-CB 4.15Å; P615-R620 HydrophobicContact CG-CB 4.43Å
616	M	82.2	Confident	86.4	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.049	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-49.5	119.8	176	-77	-167.1	68.5	0	0	111.8	I559 F576 I614 S618 N619 I622 I624	I559-M616 HydrophobicContact CD1-CE 4.3Å; I559-M616 HydrophobicContact CG2-CE 4.24Å; I559-M616 HydrophobicContact CG2-SD 3.85Å; F576-M616 HydrophobicContact CE2-CE 3.4Å; F576-M616 HydrophobicContact CE2-SD 4.14Å; F576-M616 HydrophobicContact CZ-CE 3.5Å; F576-M616 HydrophobicContact CZ-SD 3.59Å; F576-M616 VanDerWaalsContact CZ-SD 3.59Å; I614-M616 PolarHBondContact O-N 3.35Å; M616-S618 PolarHBondContact O-N 3.38Å; M616-N619 WeakPolarHBondContact O-CA 3.25Å; M616-N619 WeakPolarHBondContact O-CB 3.39Å; M616-N619 PolarHBondContact O-N 2.75Å; M616-I622 HydrophobicContact CB-CB 4.22Å; M616-I622 HydrophobicContact CB-CD1 3.89Å; M616-I622 HydrophobicContact CB-CG2 4.25Å; M616-I622 HydrophobicContact CE-CG2 4.31Å; M616-I622 HydrophobicContact CG-CG2 4.47Å; M616-I622 HydrophobicContact SD-CB 4.47Å; M616-I622 HydrophobicContact SD-CG2 3.57Å; M616-I622 VanDerWaalsContact SD-CG2 3.57Å; M616-I624 HydrophobicContact CG-CD1 4.34Å; M616-I624 HydrophobicContact SD-CD1 3.82Å; M616-I624 HydrophobicContact SD-CG1 3.84Å
617	F	84.6	Confident	85.8	Confident	44 Å²	44	74.8 Å²	74.8	19%	0.193	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	48.4	44.2	-177.9	-48.7	-62.6	0	0	0	113.3	L562 L566 K571 I572 H575 P615 N619 I622	L562-F617 HydrophobicContact CD2-CE2 4.28Å; L566-F617 HydrophobicContact CB-CD2 4.21Å; L566-F617 HydrophobicContact CB-CE2 4.41Å; L566-F617 HydrophobicContact CD1-CB 3.81Å; L566-F617 HydrophobicContact CD1-CD2 4.26Å; L566-F617 HydrophobicContact CD1-CG 4.2Å; K571-F617 HydrophobicContact CB-CE1 3.91Å; K571-F617 HydrophobicContact CB-CZ 4.01Å; K571-F617 VanDerWaalsContact O-CE1 3.29Å; K571-F617 WeakPolarHBondContact O-CE1 3.47Å; K571-F617 WeakPolarHBondContact O-CZ 3.49Å; I572-F617 HydrophobicContact CG1-CE2 4.28Å; I572-F617 HydrophobicContact CG1-CZ 4.06Å; H575-F617 HydrophobicContact CB-CE1 3.88Å; H575-F617 HydrophobicContact CB-CZ 4.14Å; P615-F617 PolarHBondContact O-N 3.32Å; P615-F617 VanDerWaalsContact O-N 3.16Å; F617-N619 PolarHBondContact O-N 2.67Å; F617-I622 HydrophobicContact CD2-CD1 4.08Å
618	S	80.9	Confident	84.9	Confident	117 Å²	117	74.2 Å²	74.2	82%	0.818	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	57.2	4.6	-171.3	75.1	0	0	0	0	116.4	P615 M616	P615-S618 PolarHBondContact O-N 3.16Å; M616-S618 PolarHBondContact O-N 3.38Å
619	N	83	Confident	83.5	Confident	43 Å²	43	69.5 Å²	69.5	23%	0.23	34%	0.335	C	S	.	.			trans	-104.3	96	-175.9	-175.5	-8.1	0	0	0	112.6	M616 F617 F621 I622	M616-N619 WeakPolarHBondContact O-CA 3.25Å; M616-N619 WeakPolarHBondContact O-CB 3.39Å; M616-N619 PolarHBondContact O-N 2.75Å; F617-N619 PolarHBondContact O-N 2.67Å; N619-F621 PolarHBondContact O-N 2.77Å; N619-F621 WeakPolarHBondContact OD1-CB 2.84Å; N619-F621 PolarHBondContact OD1-N 3.06Å; N619-I622 HydrophobicContact CB-CD1 4Å; N619-I622 HydrophobicContact CB-CG1 4.16Å; N619-I622 PolarHBondContact O-N 3.43Å
620	R	85.6	Confident	82	Confident	117 Å²	117	75.7 Å²	75.7	44%	0.442	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	1.3	177.1	68.9	-177.8	177.7	161.5	0.9	116.2	N307 P615	N307-R620 PolarHBondContact O-NH1 3.45Å; P615-R620 HydrophobicContact CB-CB 4.15Å; P615-R620 HydrophobicContact CG-CB 4.43Å
621	F	82.8	Confident	79.9	Confident	46 Å²	46	75.7 Å²	75.7	20%	0.202	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-5.5	-178.9	-57.6	-84.1	0	0	0	113.7	F288 G292 R561 N619	F288-F621 AromaticContact CD1-CE1 3.96Å; F288-F621 HydrophobicContact CD1-CE1 3.96Å; F288-F621 HydrophobicContact CD1-CZ 4.29Å; F288-F621 AromaticContact CE1-CE1 3.68Å; F288-F621 HydrophobicContact CE1-CE1 3.68Å; F288-F621 AromaticContact CE1-CZ 3.81Å; F288-F621 HydrophobicContact CE1-CZ 3.81Å; F288-F621 HydrophobicContact CZ-CE1 4.43Å; F288-F621 HydrophobicContact CZ-CZ 4.11Å; G292-F621 VanDerWaalsContact CA-CZ 3.42Å; R561-F621 WeakPolarHBondContact CD-O 3.34Å; N619-F621 PolarHBondContact O-N 2.77Å; N619-F621 WeakPolarHBondContact OD1-CB 2.84Å; N619-F621 PolarHBondContact OD1-N 3.06Å
622	I	87.9	Confident	77.9	Confident	17 Å²	17	69.3 Å²	69.3	9%	0.087	35%	0.349	C	S	.	.			trans	-64.8	135	165.5	-63.5	175.9	0	0	0	108.3	I559 L562 M616 F617 N619	I559-I622 HydrophobicContact CG2-CG2 3.44Å; I559-I622 VanDerWaalsContact CG2-CG2 3.44Å; L562-I622 HydrophobicContact CD1-CG2 3.89Å; L562-I622 HydrophobicContact CG-CD1 4.32Å; M616-I622 HydrophobicContact CB-CB 4.22Å; M616-I622 HydrophobicContact CB-CD1 3.89Å; M616-I622 HydrophobicContact CB-CG2 4.25Å; M616-I622 HydrophobicContact CE-CG2 4.31Å; M616-I622 HydrophobicContact CG-CG2 4.47Å; M616-I622 HydrophobicContact SD-CB 4.47Å; M616-I622 HydrophobicContact SD-CG2 3.57Å; M616-I622 VanDerWaalsContact SD-CG2 3.57Å; F617-I622 HydrophobicContact CD2-CD1 4.08Å; N619-I622 HydrophobicContact CB-CD1 4Å; N619-I622 HydrophobicContact CB-CG1 4.16Å; N619-I622 PolarHBondContact O-N 3.43Å
623	R	86.2	Confident	75.8	Confident	89 Å²	89	74.8 Å²	74.8	34%	0.336	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113.6	-173.8	-64.1	-178.6	75.4	163.4	0.5	110.7	I559 D560 Y625	I559-R623 WeakPolarHBondContact CA-O 3.46Å; D560-R623 PolarHBondContact N-O 2.94Å; D560-R623 PolarHBondContact O-N 2.92Å; R623-Y625 HydrophobicContact CB-CD2 4.44Å; R623-Y625 HydrophobicContact CB-CE2 3.63Å; R623-Y625 PolarHBondContact NE-OH 2.86Å; R623-Y625 WeakPolarHBondContact O-CD2 3.48Å
624	I	90.1	Very high	73.6	Confident	33 Å²	33	75.6 Å²	75.6	17%	0.169	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	144.3	171.3	-45.2	177.4	0	0	0	108.8	L557 Y558 I559 F576 Y610 M616	L557-I624 HydrophobicContact CB-CG2 3.89Å; L557-I624 HydrophobicContact CD1-CG2 3.91Å; L557-I624 HydrophobicContact CD2-CG2 4.31Å; L557-I624 HydrophobicContact CG-CG2 4.26Å; Y558-I624 CarbonylContact O-C 3.58Å; Y558-I624 WeakPolarHBondContact O-CA 3.27Å; I559-I624 HydrophobicContact CG2-CG1 4.28Å; F576-I624 HydrophobicContact CE1-CD1 4.15Å; F576-I624 HydrophobicContact CZ-CD1 4.15Å; Y610-I624 HydrophobicContact CD2-CB 4.12Å; Y610-I624 HydrophobicContact CD2-CG2 3.94Å; M616-I624 HydrophobicContact CG-CD1 4.34Å; M616-I624 HydrophobicContact SD-CD1 3.82Å; M616-I624 HydrophobicContact SD-CG1 3.84Å
625	Y	88.4	Confident	71.6	Confident	55 Å²	55	75.9 Å²	75.9	22%	0.216	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.1	176.6	-59.6	-96	0	0	0	110	Y558 D560 R623 R627 P629	Y558-Y625 PolarHBondContact N-O 3.48Å; Y558-Y625 PolarHBondContact O-N 3.46Å; D560-Y625 HydrophobicContact CB-CE2 4.01Å; R623-Y625 HydrophobicContact CB-CD2 4.44Å; R623-Y625 HydrophobicContact CB-CE2 3.63Å; R623-Y625 PolarHBondContact NE-OH 2.86Å; R623-Y625 WeakPolarHBondContact O-CD2 3.48Å; Y625-R627 WeakPolarHBondContact CB-O 3.3Å; Y625-R627 PolarHBondContact O-N 2.92Å; Y625-P629 HydrophobicContact CD1-CB 4.46Å; Y625-P629 HydrophobicContact CD1-CG 4.2Å; Y625-P629 HydrophobicContact CD2-CG 4.35Å; Y625-P629 HydrophobicContact CE1-CB 4.45Å; Y625-P629 HydrophobicContact CE1-CG 4.25Å; Y625-P629 HydrophobicContact CE2-CG 4.4Å; Y625-P629 HydrophobicContact CG-CG 4.25Å
626	T	84.3	Confident	69.6	Low	49 Å²	49	75.9 Å²	75.9	30%	0.301	37%	0.37	S	S	.	.	S	Bend	trans	-77.8	-0.6	174.2	52.8	0	0	0	0	113.9	P553 L557 Y610	P553-T626 VanDerWaalsContact O-O 3.13Å; L557-T626 HydrophobicContact CD2-CG2 3.82Å; Y610-T626 HydrophobicContact CD1-CG2 3.9Å; Y610-T626 HydrophobicContact CD2-CG2 3.82Å; Y610-T626 HydrophobicContact CE1-CG2 4.28Å; Y610-T626 HydrophobicContact CE2-CG2 4.19Å; Y610-T626 HydrophobicContact CG-CG2 3.67Å
627	R	78.5	Confident	67.6	Low	171 Å²	171	84.8 Å²	84.8	65%	0.645	40%	0.403	S	S	*	.	S	Bend	trans	-146.1	142.9	173.5	-56.6	-176	-165.1	175.8	6.2	108.7	Y625 P629	Y625-R627 WeakPolarHBondContact CB-O 3.3Å; Y625-R627 PolarHBondContact O-N 2.92Å; R627-P629 VanDerWaalsContact O-CD 3.28Å; R627-P629 WeakPolarHBondContact O-CD 3.35Å
628	F	72.7	Confident	65.3	Low	62 Å²	62	84.4 Å²	84.4	27%	0.272	41%	0.406	S	S	.	.			trans	-61.7	118.7	177	-176.9	-97.2	0	0	0	110.9	Y558 Y589 K590 E630 F632	Y558-F628 HydrophobicContact CD1-CB 4.05Å; Y558-F628 AromaticContact CD1-CD2 3.65Å; Y558-F628 HydrophobicContact CD1-CD2 3.65Å; Y558-F628 HydrophobicContact CD1-CG 4.35Å; Y558-F628 HydrophobicContact CD2-CB 4.37Å; Y558-F628 HydrophobicContact CE1-CB 3.85Å; Y558-F628 AromaticContact CE1-CD2 3.85Å; Y558-F628 HydrophobicContact CE1-CD2 3.85Å; Y558-F628 HydrophobicContact CE1-CG 4.29Å; Y558-F628 HydrophobicContact CE2-CB 4.21Å; Y558-F628 HydrophobicContact CG-CB 4.31Å; Y558-F628 HydrophobicContact CG-CD2 4.39Å; Y589-F628 HydrophobicContact CE1-CD2 4.1Å; Y589-F628 AromaticContact CE1-CE2 3.93Å; Y589-F628 HydrophobicContact CE1-CE2 3.93Å; K590-F628 HydrophobicContact CD-CE2 3.99Å; K590-F628 HydrophobicContact CD-CZ 4Å; F628-E630 PolarHBondContact O-N 3.01Å; F628-E630 VanDerWaalsContact O-N 3.17Å; F628-F632 HydrophobicContact CD2-CD2 4.42Å; F628-F632 HydrophobicContact CD2-CE2 4.48Å; F628-F632 HydrophobicContact CE1-CD2 4.06Å; F628-F632 AromaticContact CE2-CD2 3.59Å; F628-F632 HydrophobicContact CE2-CD2 3.59Å; F628-F632 AromaticContact CE2-CE2 3.83Å; F628-F632 HydrophobicContact CE2-CE2 3.83Å; F628-F632 HydrophobicContact CZ-CB 4.12Å; F628-F632 AromaticContact CZ-CD2 3.37Å; F628-F632 HydrophobicContact CZ-CD2 3.37Å; F628-F632 HydrophobicContact CZ-CE2 4.1Å; F628-F632 HydrophobicContact CZ-CG 4.05Å
629	P	61.3	Low	63.2	Low	27 Å²	27	83.7 Å²	83.7	18%	0.175	39%	0.39	C	S	.	.			trans	-77.5	106.8	-178.8	29.4	-32	0	0	0	110.6	Y625 R627 N631 F632	Y625-P629 HydrophobicContact CD1-CB 4.46Å; Y625-P629 HydrophobicContact CD1-CG 4.2Å; Y625-P629 HydrophobicContact CD2-CG 4.35Å; Y625-P629 HydrophobicContact CE1-CB 4.45Å; Y625-P629 HydrophobicContact CE1-CG 4.25Å; Y625-P629 HydrophobicContact CE2-CG 4.4Å; Y625-P629 HydrophobicContact CG-CG 4.25Å; R627-P629 VanDerWaalsContact O-CD 3.28Å; R627-P629 WeakPolarHBondContact O-CD 3.35Å; P629-N631 PolarHBondContact O-N 3.35Å; P629-F632 HydrophobicContact CG-CD2 3.9Å; P629-F632 HydrophobicContact CG-CE2 3.61Å; P629-F632 VanDerWaalsContact O-CD2 3.26Å; P629-F632 WeakPolarHBondContact O-CD2 3.4Å; P629-F632 PolarHBondContact O-N 3.47Å; P629-F632 VanDerWaalsContact O-N 3.16Å
630	E	58.3	Low	61.3	Low	130 Å²	130	86.4 Å²	86.4	61%	0.607	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-23.5	-179.8	-80.2	-151	88.6	0	0	114.7	F628 F632 K633	F628-E630 PolarHBondContact O-N 3.01Å; F628-E630 VanDerWaalsContact O-N 3.17Å; E630-F632 PolarHBondContact O-N 3.29Å; E630-K633 PolarHBondContact O-N 3.41Å; E630-K633 IonicContact OE1-NZ 3.34Å; E630-K633 PolarHBondContact OE1-NZ 3.21Å
631	N	47	Very low	58.9	Low	114 Å²	114	84.7 Å²	84.7	61%	0.61	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-12.8	176	-67.2	-32.4	0	0	0	114.8	P629 K633 H634 N635	P629-N631 PolarHBondContact O-N 3.35Å; N631-K633 PolarHBondContact O-N 3.23Å; N631-H634 PolarHBondContact O-N 3.42Å; N631-N635 PolarHBondContact O-N 2.99Å; N631-N635 VanDerWaalsContact O-N 3.1Å
632	F	48.3	Very low	56.8	Low	38 Å²	38	88.1 Å²	88.1	17%	0.167	43%	0.426	C	S	.	.	H	α-helix	trans	-52.2	-33.7	166.9	-83.5	-66.9	0	0	0	113.1	D560 M592 F628 P629 E630 H634 N635 A636	D560-F632 HydrophobicContact CB-CZ 4.21Å; M592-F632 HydrophobicContact CE-CD1 4.06Å; M592-F632 HydrophobicContact CE-CE1 3.71Å; M592-F632 HydrophobicContact SD-CD1 3.97Å; M592-F632 HydrophobicContact SD-CE1 3.97Å; F628-F632 HydrophobicContact CD2-CD2 4.42Å; F628-F632 HydrophobicContact CD2-CE2 4.48Å; F628-F632 HydrophobicContact CE1-CD2 4.06Å; F628-F632 AromaticContact CE2-CD2 3.59Å; F628-F632 HydrophobicContact CE2-CD2 3.59Å; F628-F632 AromaticContact CE2-CE2 3.83Å; F628-F632 HydrophobicContact CE2-CE2 3.83Å; F628-F632 HydrophobicContact CZ-CB 4.12Å; F628-F632 AromaticContact CZ-CD2 3.37Å; F628-F632 HydrophobicContact CZ-CD2 3.37Å; F628-F632 HydrophobicContact CZ-CE2 4.1Å; F628-F632 HydrophobicContact CZ-CG 4.05Å; P629-F632 HydrophobicContact CG-CD2 3.9Å; P629-F632 HydrophobicContact CG-CE2 3.61Å; P629-F632 VanDerWaalsContact O-CD2 3.26Å; P629-F632 WeakPolarHBondContact O-CD2 3.4Å; P629-F632 PolarHBondContact O-N 3.47Å; P629-F632 VanDerWaalsContact O-N 3.16Å; E630-F632 PolarHBondContact O-N 3.29Å; F632-H634 PolarHBondContact O-N 3.45Å; F632-N635 PolarHBondContact O-N 3.46Å; F632-A636 WeakPolarHBondContact O-CB 3.47Å; F632-A636 PolarHBondContact O-N 3.41Å
633	K	43.1	Very low	54.3	Low	143 Å²	143	95.8 Å²	95.8	62%	0.622	46%	0.459	S	S	*	.	H	α-helix	trans	-58.9	-34.1	174	-69.7	170.4	-176.6	159.2	0	112.6	E630 N631	E630-K633 PolarHBondContact O-N 3.41Å; E630-K633 IonicContact OE1-NZ 3.34Å; E630-K633 PolarHBondContact OE1-NZ 3.21Å; N631-K633 PolarHBondContact O-N 3.23Å
634	H	38.2	Very low	51.9	Low	141 Å²	141	97 Å²	97	65%	0.653	48%	0.479	S	S	*	.	H	α-helix	trans	-83.7	-36.8	177.5	-79.9	-86.2	0	0	0	112.9	N631 F632 R637 S638	N631-H634 PolarHBondContact O-N 3.42Å; F632-H634 PolarHBondContact O-N 3.45Å; H634-R637 PolarHBondContact O-N 3.4Å; H634-S638 VanDerWaalsContact O-CB 3.23Å; H634-S638 WeakPolarHBondContact O-CB 3.25Å; H634-S638 PolarHBondContact O-N 2.98Å
635	N	38.5	Very low	49.7	Very low	86 Å²	86	105.4 Å²	105.4	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-71.6	-33.9	177	-82.4	-19.7	0	0	0	113.2	N631 F632 R637 S638 M639	N631-N635 PolarHBondContact O-N 2.99Å; N631-N635 VanDerWaalsContact O-N 3.1Å; F632-N635 PolarHBondContact O-N 3.46Å; N635-R637 VanDerWaalsContact C-N 3.34Å; N635-R637 PolarHBondContact O-N 3.23Å; N635-S638 PolarHBondContact O-N 2.93Å; N635-M639 WeakPolarHBondContact O-CG 3.22Å; N635-M639 PolarHBondContact O-N 3.32Å
636	A	40	Very low	47.5	Very low	62 Å²	62	107.9 Å²	107.9	51%	0.512	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-44.4	173.2	0	0	0	0	0	111.8	F632 T640	F632-A636 WeakPolarHBondContact O-CB 3.47Å; F632-A636 PolarHBondContact O-N 3.41Å; A636-T640 PolarHBondContact O-N 3.03Å; A636-T640 PolarHBondContact O-OG1 3.04Å
637	R	39.2	Very low	45.8	Very low	197 Å²	197	111.7 Å²	111.7	74%	0.743	54%	0.544	S	S	*	.	H	α-helix	trans	-67.5	-40.9	172.7	-74.1	-178.3	171	175	-2.3	111.7	H634 N635 M639 T640 S641	H634-R637 PolarHBondContact O-N 3.4Å; N635-R637 VanDerWaalsContact C-N 3.34Å; N635-R637 PolarHBondContact O-N 3.23Å; R637-M639 PolarHBondContact O-N 3.05Å; R637-T640 PolarHBondContact O-N 3.5Å; R637-T640 PolarHBondContact O-OG1 3.36Å; R637-S641 WeakPolarHBondContact O-CB 3.45Å; R637-S641 PolarHBondContact O-N 2.99Å; R637-S641 PolarHBondContact O-OG 3.42Å
638	S	37.4	Very low	45	Very low	36 Å²	36	106.5 Å²	106.5	25%	0.252	53%	0.534	S	S	.	.	H	α-helix	trans	-75.1	-17.2	-176.7	-161.5	0	0	0	0	115.1	H634 N635 R642	H634-S638 VanDerWaalsContact O-CB 3.23Å; H634-S638 WeakPolarHBondContact O-CB 3.25Å; H634-S638 PolarHBondContact O-N 2.98Å; N635-S638 PolarHBondContact O-N 2.93Å; S638-R642 WeakPolarHBondContact O-CB 3.14Å; S638-R642 WeakPolarHBondContact O-CG 3.18Å; S638-R642 PolarHBondContact O-NE 3.38Å; S638-R642 PolarHBondContact OG-NE 2.78Å; S638-R642 PolarHBondContact OG-NH2 3.44Å
639	M	35.9	Very low	44.1	Very low	101 Å²	101	109.9 Å²	109.9	50%	0.498	55%	0.553	S	S	.	*	H	α-helix	trans	-86.1	-42.6	167.9	-69.6	-59.4	-160.8	0	0	111.4	N635 R637 S641 R642	N635-M639 WeakPolarHBondContact O-CG 3.22Å; N635-M639 PolarHBondContact O-N 3.32Å; R637-M639 PolarHBondContact O-N 3.05Å; M639-S641 PolarHBondContact O-N 2.72Å; M639-R642 PolarHBondContact O-N 2.85Å
640	T	43	Very low	44.1	Very low	101 Å²	101	114.7 Å²	114.7	62%	0.62	58%	0.577	S	S	*	*	H	α-helix	trans	-74.1	-9.6	176.7	55.5	0	0	0	0	114.3	A636 R637	A636-T640 PolarHBondContact O-N 3.03Å; A636-T640 PolarHBondContact O-OG1 3.04Å; R637-T640 PolarHBondContact O-N 3.5Å; R637-T640 PolarHBondContact O-OG1 3.36Å
641	S	37	Very low	44.4	Very low	81 Å²	81	113 Å²	113	57%	0.566	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	5.1	172.1	85.1	0	0	0	0	114.7	R637 M639 F643	R637-S641 WeakPolarHBondContact O-CB 3.45Å; R637-S641 PolarHBondContact O-N 2.99Å; R637-S641 PolarHBondContact O-OG 3.42Å; M639-S641 PolarHBondContact O-N 2.72Å; S641-F643 CarbonylContact C-O 3.59Å
642	R	38.5	Very low	45.1	Very low	118 Å²	118	115.5 Å²	115.5	45%	0.445	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.6	-4.2	179.6	-89.8	-169.6	-83.5	179.9	-10.4	115.6	S638 M639	S638-R642 WeakPolarHBondContact O-CB 3.14Å; S638-R642 WeakPolarHBondContact O-CG 3.18Å; S638-R642 PolarHBondContact O-NE 3.38Å; S638-R642 PolarHBondContact OG-NE 2.78Å; S638-R642 PolarHBondContact OG-NH2 3.44Å; M639-R642 PolarHBondContact O-N 2.85Å
643	F	34.3	Very low	45.3	Very low	177 Å²	177	119.5 Å²	119.5	78%	0.776	60%	0.595	S	S	*	*	S	Bend	trans	-86.8	130.3	135.7	-68.5	-84.2	0	0	0	106.9	S641 R645	S641-F643 CarbonylContact C-O 3.59Å; F643-R645 PolarHBondContact O-N 3.3Å
644	P	36.9	Very low	45.1	Very low	115 Å²	115	115.7 Å²	115.7	75%	0.747	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-60.7	125.1	163.8	27.6	-31.3	0	0	0	106.5
645	R	42	Very low	45.6	Very low	209 Å²	209	114.9 Å²	114.9	79%	0.789	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-50.8	136.1	161.8	-72.3	-172	178	-147.7	-0.4	106.5	F643 K647	F643-R645 PolarHBondContact O-N 3.3Å; R645-K647 VanDerWaalsContact C-N 3.34Å; R645-K647 PolarHBondContact O-N 2.79Å
646	P	42.3	Very low	45.8	Very low	108 Å²	108	121.8 Å²	121.8	70%	0.701	62%	0.621	S	S	*	*			trans	-57.4	108.8	169.9	24.8	-31.8	0	0	0	105.8	S648	P646-S648 PolarHBondContact O-N 3Å
647	K	50.4	Low	45.8	Very low	129 Å²	129	124.9 Å²	124.9	56%	0.561	64%	0.636	S	S	*	*			trans	-40	126.7	179.7	-84.3	-177.7	157.4	-139.2	0	108.3	R645 D651 R652	R645-K647 VanDerWaalsContact C-N 3.34Å; R645-K647 PolarHBondContact O-N 2.79Å; K647-D651 HydrophobicContact CB-CB 3.73Å; K647-D651 HydrophobicContact CD-CB 4.45Å; K647-D651 WeakPolarHBondContact CD-O 3.49Å; K647-D651 HydrophobicContact CG-CB 3.95Å; K647-D651 PolarHBondContact NZ-O 2.94Å; K647-R652 HydrophobicContact CB-CG 3.56Å; K647-R652 HydrophobicContact CD-CG 4.29Å; K647-R652 PolarHBondContact O-NE 2.78Å
648	S	59.9	Low	45.8	Very low	62 Å²	62	122.1 Å²	122.1	43%	0.434	64%	0.641	S	S	.	*			trans	-49.2	155.3	172.6	179.1	0	0	0	0	109.1	P646 L650 D651 R652	P646-S648 PolarHBondContact O-N 3Å; S648-L650 PolarHBondContact O-N 2.9Å; S648-L650 VanDerWaalsContact O-N 3.1Å; S648-L650 PolarHBondContact OG-N 3.21Å; S648-D651 WeakPolarHBondContact CB-OD2 3.24Å; S648-D651 PolarHBondContact N-OD2 3.32Å; S648-D651 CarbonylContact O-C 3.49Å; S648-D651 WeakPolarHBondContact O-CA 3.47Å; S648-D651 PolarHBondContact O-N 3.06Å; S648-R652 WeakPolarHBondContact O-CG 3.29Å; S648-R652 PolarHBondContact O-N 3.37Å
649	I	55.2	Low	45.7	Very low	132 Å²	132	125.3 Å²	125.3	68%	0.677	67%	0.669	S	S	*	*	H	α-helix	trans	-52.7	-34.9	170.6	-69	174.5	0	0	0	109.4	R652 L653	I649-R652 PolarHBondContact O-N 2.81Å; I649-L653 HydrophobicContact CG2-CD1 3.77Å; I649-L653 HydrophobicContact CG2-CG 4.38Å; I649-L653 WeakPolarHBondContact O-CB 3.49Å; I649-L653 VanDerWaalsContact O-CG 3.29Å; I649-L653 WeakPolarHBondContact O-CG 3.43Å; I649-L653 PolarHBondContact O-N 2.77Å
650	L	61.6	Low	45.6	Very low	128 Å²	128	123.5 Å²	123.5	67%	0.67	68%	0.677	S	S	*	*	H	α-helix	trans	-67.4	-35.1	172.3	-157.2	67.2	0	0	0	114.5	S648 R652 L653	S648-L650 PolarHBondContact O-N 2.9Å; S648-L650 VanDerWaalsContact O-N 3.1Å; S648-L650 PolarHBondContact OG-N 3.21Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-L653 CarbonylContact O-C 3.58Å
651	D	64.7	Low	45.3	Very low	95 Å²	95	126 Å²	126	51%	0.508	69%	0.687	S	S	.	*	H	α-helix	trans	-78.8	-12.7	174.9	-59.2	-50.9	0	0	0	113.3	K647 S648	K647-D651 HydrophobicContact CB-CB 3.73Å; K647-D651 HydrophobicContact CD-CB 4.45Å; K647-D651 WeakPolarHBondContact CD-O 3.49Å; K647-D651 HydrophobicContact CG-CB 3.95Å; K647-D651 PolarHBondContact NZ-O 2.94Å; S648-D651 WeakPolarHBondContact CB-OD2 3.24Å; S648-D651 PolarHBondContact N-OD2 3.32Å; S648-D651 CarbonylContact O-C 3.49Å; S648-D651 WeakPolarHBondContact O-CA 3.47Å; S648-D651 PolarHBondContact O-N 3.06Å
652	R	60.5	Low	45.3	Very low	166 Å²	166	129.7 Å²	129.7	63%	0.626	70%	0.7	S	S	*	*	H	α-helix	trans	-91.3	-39	172.8	-64.1	-178.3	-168	-151.7	-1.8	110.8	K647 S648 I649 L650 G654	K647-R652 HydrophobicContact CB-CG 3.56Å; K647-R652 HydrophobicContact CD-CG 4.29Å; K647-R652 PolarHBondContact O-NE 2.78Å; S648-R652 WeakPolarHBondContact O-CG 3.29Å; S648-R652 PolarHBondContact O-N 3.37Å; I649-R652 PolarHBondContact O-N 2.81Å; L650-R652 VanDerWaalsContact C-N 3.3Å; R652-G654 VanDerWaalsContact C-N 3.26Å; R652-G654 PolarHBondContact O-N 3.29Å; R652-G654 VanDerWaalsContact O-N 3.11Å
653	L	52.7	Low	45.3	Very low	123 Å²	123	132.6 Å²	132.6	64%	0.644	72%	0.716	S	S	*	*	S	Bend	trans	-83.5	67.4	172.2	-62.3	174.8	0	0	0	110.1	I649 L650 T655	I649-L653 HydrophobicContact CG2-CD1 3.77Å; I649-L653 HydrophobicContact CG2-CG 4.38Å; I649-L653 WeakPolarHBondContact O-CB 3.49Å; I649-L653 VanDerWaalsContact O-CG 3.29Å; I649-L653 WeakPolarHBondContact O-CG 3.43Å; I649-L653 PolarHBondContact O-N 2.77Å; L650-L653 CarbonylContact O-C 3.58Å; L653-T655 PolarHBondContact O-N 2.9Å
654	G	40	Very low	45.6	Very low	63 Å²	63	131.7 Å²	131.7	65%	0.649	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.1	120.3	-169.2	0	0	0	0	0	114	R652 R656	R652-G654 VanDerWaalsContact C-N 3.26Å; R652-G654 PolarHBondContact O-N 3.29Å; R652-G654 VanDerWaalsContact O-N 3.11Å; G654-R656 PolarHBondContact O-N 2.94Å
655	T	48	Very low	45.5	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-64.8	125	170.6	43.1	0	0	0	0	110.4	L653 P657	L653-T655 PolarHBondContact O-N 2.9Å; T655-P657 WeakPolarHBondContact O-CD 3.48Å
656	R	41.8	Very low	45.1	Very low	230 Å²	230	126.6 Å²	126.6	87%	0.868	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-62.5	128.6	168.6	-83.3	-178.8	164.6	-170.8	-3.3	109	G654 V658	G654-R656 PolarHBondContact O-N 2.94Å; R656-V658 PolarHBondContact O-N 3.17Å
657	P	40.2	Very low	44.6	Very low	128 Å²	128	131.7 Å²	131.7	83%	0.831	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-64.4	122.7	163.4	-16.5	30.7	0	0	0	108.9	T655	T655-P657 WeakPolarHBondContact O-CD 3.48Å
658	V	40	Very low	43.9	Very low	138 Å²	138	129.8 Å²	129.8	84%	0.836	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-71.5	127.8	170.8	177	0	0	0	0	108.2	R656 G660	R656-V658 PolarHBondContact O-N 3.17Å; V658-G660 PolarHBondContact O-N 3.16Å
659	A	35.4	Very low	42.5	Very low	103 Å²	103	138 Å²	138	85%	0.851	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-78	119.2	173.2	0	0	0	0	0	109.3
660	G	33.9	Very low	41.3	Very low	63 Å²	63	138.7 Å²	138.7	65%	0.649	74%	0.739	S	S	*	*			trans	-164.3	49	-165.9	0	0	0	0	0	117	V658	V658-G660 PolarHBondContact O-N 3.16Å
661	N	35.7	Very low	39.9	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	74%	0.744	S	S	*	*			trans	59.4	168.7	155.6	-68.8	-12.2	0	0	0	121
662	N	38	Very low	38.2	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	76%	0.764	S	S	*	*			trans	62.7	102.6	163.8	-61.3	-7	0	0	0	118.7
663	K	38.9	Very low	37	Very low	180 Å²	180	140.5 Å²	140.5	78%	0.783	77%	0.772	S	S	*	*			trans	-74.7	143.4	154.3	-51.9	171.5	-178.9	-178.7	0	109.1
664	I	39.2	Very low	36.1	Very low	157 Å²	157	140.7 Å²	140.7	81%	0.805	77%	0.774	S	S	*	*			trans	-171.6	146.9	140.1	-100	151.1	0	0	0	108.2
665	N	35.7	Very low	35.8	Very low	137 Å²	137	144.1 Å²	144.1	73%	0.733	78%	0.777	S	S	*	*			trans	17.1	119.4	160.2	-60.2	3.6	0	0	0	118.8
666	S	33.5	Very low	35.1	Very low	81 Å²	81	143.6 Å²	143.6	57%	0.566	78%	0.777	S	S	*	*			cis	104.3	166.9	44.4	70.4	0	0	0	0	112.4
667	Y	32.1	Very low	34.8	Very low	215 Å²	215	139.7 Å²	139.7	84%	0.843	77%	0.772	S	S	*	*			trans	70	139.2	-172.6	-53.3	-76.3	0	0	0	113.7
668	S	34.3	Very low	34.4	Very low	89 Å²	89	141.2 Å²	141.2	62%	0.622	77%	0.768	S	S	*	*			cis	124.7	123.8	8.5	-178.5	0	0	0	0	106.8
669	W	30.8	Very low	34.3	Very low	233 Å²	233	138.6 Å²	138.6	88%	0.883	76%	0.755	S	S	*	*	S	Bend	trans	-141.1	14.1	178.4	59	-90.1	0	0	0	113.7
670	M	29.5	Very low	34.4	Very low	148 Å²	148	140.9 Å²	140.9	73%	0.729	75%	0.748	S	S	*	*	S	Bend	trans	-146.3	77.4	175.5	-65.9	-168	76	0	0	111
671	S	33.1	Very low	34.6	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	75%	0.75	S	S	*	*			trans	171.8	100.2	153.9	-92.9	0	0	0	0	110.1
672	M	30.1	Very low	34.8	Very low	188 Å²	188	143.1 Å²	143.1	93%	0.926	75%	0.745	S	S	*	*			trans	-145.2	117.6	148	-71.3	-154.8	88.3	0	0	108.5
673	T	34.3	Very low	34.8	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	74%	0.743	S	S	*	*			trans	-132.3	159.5	159.9	57.4	0	0	0	0	106.7
674	N	33.4	Very low	34.7	Very low	127 Å²	127	136.5 Å²	136.5	68%	0.679	74%	0.742	S	S	*	*			trans	79.6	104.8	172.7	-62.2	76.9	0	0	0	117.6
675	D	33.4	Very low	34.4	Very low	135 Å²	135	134.6 Å²	134.6	72%	0.722	74%	0.743	S	S	*	*				70.6	99.9	121.1	-44.2	-26.7	0	0	0	120.6
676	C	33.3	Very low	34.3	Very low	112 Å²	112	135.7 Å²	135.7	76%	0.757	75%	0.747	S	S	*	*				-168.2	132	115.8	-96.6	0	0	0	0	113.4
677	I	35.3	Very low	34.4	Very low	149 Å²	149	140 Å²	140	76%	0.764	76%	0.758	S	S	*	*				38.3	135.3	122.4	-57.1	172.7	0	0	0	118.2
678	E	33.6	Very low	34.3	Very low	160 Å²	160	134 Å²	134	75%	0.748	75%	0.748	S	S	*	*			cis	-177.3	156.8	-14.3	-175	-178.6	139	0	0	107.5
679	S	36.1	Very low	34.3	Very low	82 Å²	82	136.7 Å²	136.7	57%	0.573	76%	0.755	S	S	*	*			trans	66.4	155.2	168.5	-72.8	0	0	0	0	116.6
680	Q	39.2	Very low	34.4	Very low	151 Å²	151	133.1 Å²	133.1	71%	0.706	75%	0.748	S	S	*	*			cis	-169.3	167.4	-13.1	-104.4	177.9	69.7	0	0	106.6
681	Q	36.9	Very low	34.7	Very low	148 Å²	148	131.2 Å²	131.2	69%	0.692	74%	0.744	S	S	*	*			cis	-157.6	160.7	-1	-138.2	-169.3	91.3	0	0	110.2
682	V	40.9	Very low	34.6	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.715	75%	0.746	S	S	*	*			trans	76.9	146	145.8	154.9	0	0	0	0	123
683	P	38.3	Very low	34.8	Very low	124 Å²	124	131 Å²	131	81%	0.805	73%	0.733	S	S	*	*			trans	-138.7	-170.5	-157.4	43.5	-22.3	0	0	0	117.3
684	G	35.1	Very low	34.7	Very low	74 Å²	74	136.2 Å²	136.2	76%	0.763	74%	0.739	S	S	*	*			trans	116.3	153.7	164.7	0	0	0	0	0	114.4
685	S	32.9	Very low	34.7	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	74%	0.741	S	S	*	*			cis	-164.7	-168.6	-7.2	-168.5	0	0	0	0	109.7
686	I	34.8	Very low	34.7	Very low	161 Å²	161	133.1 Å²	133.1	83%	0.826	74%	0.739	S	S	*	*			trans	92.9	151.6	167	-55	171.9	0	0	0	116.4
687	H	34.4	Very low	34.8	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.787	75%	0.747	S	S	*	*			trans	-109.3	168.4	-154.5	-97.8	-117	0	0	0	115.5
688	S	30.9	Very low	34.8	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	75%	0.746	S	S	*	*			trans	64.9	117.3	142	59.3	0	0	0	0	121.7
689	D	33.5	Very low	34.9	Very low	146 Å²	146	137.3 Å²	137.3	78%	0.781	74%	0.738	S	S	*	*				103.8	149.7	122.3	-76.2	-22.3	0	0	0	123.7
690	H	34.4	Very low	34.5	Very low	158 Å²	158	141.8 Å²	141.8	73%	0.731	74%	0.743	S	S	*	*			trans	72.5	110.1	162.8	-85.3	-76.9	0	0	0	122.2
691	T	35.3	Very low	34.4	Very low	107 Å²	107	142.2 Å²	142.2	66%	0.656	74%	0.738	S	S	*	*			trans	72.1	104.5	139.3	44.1	0	0	0	0	122.4
692	L	31.1	Very low	34.1	Very low	153 Å²	153	140.8 Å²	140.8	80%	0.801	74%	0.735	S	S	*	*				49.4	101.2	123.3	-62	172.8	0	0	0	119.7
693	Q	34.1	Very low	34	Very low	143 Å²	143	140.2 Å²	140.2	67%	0.668	72%	0.724	S	S	*	*				-163.2	162.5	114.9	-109.8	151.1	114.2	0	0	116.5
694	R	32.6	Very low	33.8	Very low	237 Å²	237	143.3 Å²	143.3	89%	0.894	72%	0.719	S	S	*	*			trans	-42.8	153.5	174	-52.9	158.3	-175.2	-139.3	-0.9	112.3
695	G	33	Very low	34.1	Very low	71 Å²	71	146.6 Å²	146.6	73%	0.732	72%	0.72	S	S	*	*			cis	174.7	-172.4	20.7	0	0	0	0	0	107.5
696	N	33.8	Very low	34.6	Very low	126 Å²	126	145.4 Å²	145.4	67%	0.674	71%	0.709	S	S	*	*			cis	-129.9	138.8	11.6	-74.3	-29.3	0	0	0	111.5	H797	N696-H797 PolarHBondContact ND2-NE2 2.82Å
697	R	34.1	Very low	34.8	Very low	246 Å²	246	143 Å²	143	93%	0.928	70%	0.702	S	S	*	*			trans	-145.5	111	164.5	-81.1	-169.8	177.6	-157.4	3.2	110
698	S	34.9	Very low	34.8	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	70%	0.701	S	S	*	*			trans	-159.8	118.2	162	42.4	0	0	0	0	109.4
699	R	37.8	Very low	35.1	Very low	156 Å²	156	138.8 Å²	138.8	59%	0.589	70%	0.702	S	S	*	*				75.5	91.2	60.6	-69	178.3	77.3	142.9	7.3	113.3	R701	R699-R701 VanDerWaalsContact C-N 3.26Å; R699-R701 VanDerWaalsContact CZ-O 3.27Å; R699-R701 PolarHBondContact NE-O 2.88Å; R699-R701 PolarHBondContact NH2-O 2.88Å
700	W	26.9	Very low	35.3	Very low	177 Å²	177	139.2 Å²	139.2	67%	0.67	70%	0.704	S	S	*	*	S	Bend	trans	-89.5	68.9	134.3	-77.7	123.2	0	0	0	109.1	E807	W700-E807 HydrophobicContact CH2-CG 4.2Å; W700-E807 HydrophobicContact CZ2-CB 3.99Å; W700-E807 HydrophobicContact CZ2-CG 3.61Å; W700-E807 PolarHBondContact NE1-OE2 3.32Å
701	R	36.1	Very low	35.5	Very low	160 Å²	160	135.3 Å²	135.3	60%	0.604	70%	0.699	S	S	*	*			trans	-154.1	97.2	174.3	-170.8	177	-176.9	129.4	4.4	111.6	R699 E703	R699-R701 VanDerWaalsContact C-N 3.26Å; R699-R701 VanDerWaalsContact CZ-O 3.27Å; R699-R701 PolarHBondContact NE-O 2.88Å; R699-R701 PolarHBondContact NH2-O 2.88Å; R701-E703 WeakPolarHBondContact CD-OE2 3.37Å; R701-E703 HydrophobicContact CG-CB 4.23Å; R701-E703 WeakPolarHBondContact CG-OE2 3.28Å; R701-E703 IonicContact CZ-OE1 3.1Å; R701-E703 IonicContact CZ-OE2 3.18Å; R701-E703 IonicContact NE-OE1 2.74Å; R701-E703 PolarHBondContact NE-OE1 2.87Å; R701-E703 IonicContact NE-OE2 2.8Å; R701-E703 PolarHBondContact NE-OE2 3.32Å; R701-E703 IonicContact NH2-OE1 2.77Å; R701-E703 PolarHBondContact NH2-OE1 2.9Å
702	L	32.1	Very low	35.7	Very low	118 Å²	118	137.6 Å²	137.6	62%	0.618	71%	0.706	S	S	*	*			trans	-146.2	117	157.3	-88.5	105.2	0	0	0	104.9
703	E	38.8	Very low	36	Very low	106 Å²	106	137.3 Å²	137.3	50%	0.495	71%	0.705	S	S	.	*			cis	68.4	100.1	7	-168.4	177.3	-107.3	0	0	115.2	R701	R701-E703 WeakPolarHBondContact CD-OE2 3.37Å; R701-E703 HydrophobicContact CG-CB 4.23Å; R701-E703 WeakPolarHBondContact CG-OE2 3.28Å; R701-E703 IonicContact CZ-OE1 3.1Å; R701-E703 IonicContact CZ-OE2 3.18Å; R701-E703 IonicContact NE-OE1 2.74Å; R701-E703 PolarHBondContact NE-OE1 2.87Å; R701-E703 IonicContact NE-OE2 2.8Å; R701-E703 PolarHBondContact NE-OE2 3.32Å; R701-E703 IonicContact NH2-OE1 2.77Å; R701-E703 PolarHBondContact NH2-OE1 2.9Å
704	R	33.6	Very low	36.2	Very low	188 Å²	188	135.4 Å²	135.4	71%	0.709	71%	0.707	S	S	*	*			trans	179.2	127.4	156.5	-97.4	-172.3	-74.8	-162.9	2.6	105.8
705	N	40.9	Very low	36.6	Very low	143 Å²	143	126.8 Å²	126.8	77%	0.765	69%	0.693	S	S	*	*			cis	60.3	156.5	2.3	-116.3	21.1	0	0	0	116.2
706	P	43.1	Very low	37.1	Very low	91 Å²	91	130.5 Å²	130.5	59%	0.591	70%	0.695	S	S	*	*			cis	-129.5	-175.7	-8.6	41.2	-24.9	0	0	0	113.5
707	T	38.5	Very low	37.8	Very low	112 Å²	112	132.4 Å²	132.4	69%	0.687	70%	0.7	S	S	*	*			trans	153.2	117.5	130.6	48.6	0	0	0	0	109
708	S	35.6	Very low	38.4	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	69%	0.689	S	S	*	*			cis	89.1	137.6	42.4	74.5	0	0	0	0	113.8
709	G	37.3	Very low	39.1	Very low	62 Å²	62	128.6 Å²	128.6	64%	0.639	69%	0.69	S	S	*	*			trans	104.7	97.2	-160.4	0	0	0	0	0	109.9
710	D	37.8	Very low	39.5	Very low	155 Å²	155	128.1 Å²	128.1	83%	0.829	70%	0.699	S	S	*	*			cis	70.9	133.4	39.1	-45.8	-57.8	0	0	0	112.6
711	A	38.7	Very low	40.4	Very low	76 Å²	76	125.9 Å²	125.9	63%	0.628	70%	0.7	S	S	*	*			cis	-168.3	-175.2	-12.2	0	0	0	0	0	109.3
712	L	37.9	Very low	40.8	Very low	154 Å²	154	124.9 Å²	124.9	81%	0.806	71%	0.705	S	S	*	*			trans	73.9	151.6	165.4	-45	-177.4	0	0	0	116.2
713	L	38.8	Very low	41.5	Very low	147 Å²	147	125.8 Å²	125.8	77%	0.77	71%	0.711	S	S	*	*			cis	-155	161.9	-17.2	-109.4	168.1	0	0	0	110.4
714	S	37.6	Very low	41.7	Very low	103 Å²	103	127.7 Å²	127.7	72%	0.72	72%	0.72	S	S	*	*			trans	-44.9	168.6	173.3	53.5	0	0	0	0	120.9
715	G	40.3	Very low	42.2	Very low	57 Å²	57	125.2 Å²	125.2	59%	0.588	72%	0.72	S	S	*	*			trans	119.5	117.1	-179.4	0	0	0	0	0	109
716	D	44.7	Very low	42.2	Very low	148 Å²	148	123.3 Å²	123.3	79%	0.791	72%	0.716	S	S	*	*			cis	66.3	126.6	35.4	-33.3	-36	0	0	0	111.2
717	E	47.7	Very low	42	Very low	166 Å²	166	124.9 Å²	124.9	78%	0.776	72%	0.724	S	S	*	*			cis	-158	163.7	-6.1	-124.5	168.6	175.6	0	0	108.8
718	D	48	Very low	42.1	Very low	130 Å²	130	126.3 Å²	126.3	70%	0.695	73%	0.726	S	S	*	*			trans	60.5	145	156.3	-57.9	-15.9	0	0	0	125.2
719	D	48	Very low	42.2	Very low	143 Å²	143	128.8 Å²	128.8	77%	0.765	73%	0.73	S	S	*	*			trans	62.2	102.8	138.8	-68.2	1.3	0	0	0	124.4
720	D	46.6	Very low	42.2	Very low	145 Å²	145	129 Å²	129	78%	0.775	73%	0.733	S	S	*	*				91.2	151.6	115.7	-112.7	-10	0	0	0	124.3
721	L	46.2	Very low	42	Very low	131 Å²	131	130.2 Å²	130.2	69%	0.686	73%	0.733	S	S	*	*			trans	63.8	99.8	163.4	-89.5	81.8	0	0	0	123.1
722	I	45.4	Very low	42	Very low	138 Å²	138	132.5 Å²	132.5	71%	0.708	73%	0.731	S	S	*	*				77.5	131.9	113.6	-72.3	179.1	0	0	0	122.2
723	D	45.8	Very low	42	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	73%	0.725	S	S	*	*			trans	76.8	128	152.9	-76.6	1.3	0	0	0	126.1
724	E	44.2	Very low	41.9	Very low	146 Å²	146	134.3 Å²	134.3	68%	0.682	73%	0.729	S	S	*	*			trans	59.2	87.8	130.7	-65.3	-67.2	132.8	0	0	121.7
725	N	43.4	Very low	41.8	Very low	136 Å²	136	134 Å²	134	73%	0.727	73%	0.727	S	S	*	*				72.4	158.5	120.8	-85.4	-45.3	0	0	0	120.8
726	P	41.4	Very low	41.8	Very low	103 Å²	103	134.9 Å²	134.9	67%	0.669	73%	0.728	S	S	*	*			trans	-104.5	179.9	-161.3	41.6	-37.5	0	0	0	113.4
727	T	38.5	Very low	41.9	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	72%	0.72	S	S	*	*			trans	-176.7	112.9	135.6	-84.1	0	0	0	0	113.7
728	I	41.2	Very low	41.7	Very low	141 Å²	141	132.4 Å²	132.4	72%	0.723	72%	0.717	S	S	*	*			trans	69.6	134.1	138.9	-65.1	-179.4	0	0	0	122.1
729	D	36.4	Very low	41.9	Very low	161 Å²	161	131.4 Å²	131.4	86%	0.861	71%	0.71	S	S	*	*			trans	46.1	131	155.7	-61.1	-9.8	0	0	0	124.2
730	G	36.8	Very low	42.1	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	71%	0.711	S	S	*	*			trans	162.9	98.7	155.1	0	0	0	0	0	114.6
731	H	35.6	Very low	42.4	Very low	179 Å²	179	132.5 Å²	132.5	83%	0.829	70%	0.704	S	S	*	*			trans	27	111.2	138.6	-84.2	-94.3	0	0	0	117
732	E	37.1	Very low	42.7	Very low	124 Å²	124	134.9 Å²	134.9	58%	0.579	70%	0.703	S	S	*	*				-178.3	160	72.5	-107.6	172.2	178	0	0	117
733	R	37.9	Very low	43	Very low	182 Å²	182	132.6 Å²	132.6	69%	0.687	69%	0.693	S	S	*	*			trans	56.2	93.2	142.7	-65.7	164.8	-171.8	151.3	6.6	120.7
734	N	36.7	Very low	43.6	Very low	158 Å²	158	133 Å²	133	85%	0.845	69%	0.688	S	S	*	*				46.9	92.1	116.6	-57.3	-8.6	0	0	0	119.7
735	S	36.1	Very low	44.1	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	68%	0.676	S	S	*	*			trans	-157.1	-42.9	156.6	60	0	0	0	0	114.1	T737	S735-T737 PolarHBondContact O-N 2.99Å
736	A	39.7	Very low	44.5	Very low	75 Å²	75	126.6 Å²	126.6	62%	0.62	66%	0.662	S	S	*	*	H	α-helix	trans	-73.1	-26.1	-166.2	0	0	0	0	0	116.6
737	T	47	Very low	45	Very low	103 Å²	103	126.2 Å²	126.2	63%	0.632	65%	0.654	S	S	*	*	H	α-helix	trans	-68.4	-41.7	-176.4	42.4	0	0	0	0	112.8	S735 I739 K740 E741	S735-T737 PolarHBondContact O-N 2.99Å; T737-I739 PolarHBondContact O-N 3.23Å; T737-K740 PolarHBondContact O-N 2.83Å; T737-K740 VanDerWaalsContact O-N 3.17Å; T737-E741 PolarHBondContact O-N 2.98Å
738	F	44.7	Very low	45.7	Very low	159 Å²	159	125.8 Å²	125.8	70%	0.697	64%	0.643	S	S	*	*	H	α-helix	trans	-61.9	-29.6	-173.5	-139.1	-100.5	0	0	0	113.1	R742	F738-R742 WeakPolarHBondContact O-CB 3.41Å; F738-R742 PolarHBondContact O-N 3.44Å
739	I	51.4	Low	46.3	Very low	110 Å²	110	128.3 Å²	128.3	56%	0.564	64%	0.644	S	S	*	*	H	α-helix	trans	-75.3	-40.3	179.6	-58.1	179.1	0	0	0	111.2	T737 N743	T737-I739 PolarHBondContact O-N 3.23Å; I739-N743 WeakPolarHBondContact O-CB 3.41Å; I739-N743 PolarHBondContact O-N 3.2Å
740	K	52.5	Low	46.9	Very low	178 Å²	178	124.6 Å²	124.6	77%	0.774	62%	0.622	S	S	*	*	H	α-helix	trans	-66.4	-41.9	176.1	-98.9	179.7	176.8	173	0	111.9	T737 K744	T737-K740 PolarHBondContact O-N 2.83Å; T737-K740 VanDerWaalsContact O-N 3.17Å; K740-K744 WeakPolarHBondContact O-CB 3.46Å; K740-K744 PolarHBondContact O-N 3.02Å; K740-K744 VanDerWaalsContact O-N 3.08Å
741	E	52.9	Low	47.5	Very low	133 Å²	133	126 Å²	126	62%	0.621	61%	0.613	S	S	*	*	H	α-helix	trans	-68.5	-43	175	-71.8	-166.2	115.9	0	0	112.5	T737 N743 K744 A745	T737-E741 PolarHBondContact O-N 2.98Å; E741-N743 VanDerWaalsContact C-N 3.3Å; E741-N743 PolarHBondContact O-N 3.47Å; E741-K744 WeakPolarHBondContact O-CB 3.26Å; E741-K744 PolarHBondContact O-N 3.08Å; E741-K744 VanDerWaalsContact O-N 3.13Å; E741-A745 WeakPolarHBondContact O-CB 3.46Å; E741-A745 PolarHBondContact O-N 3.23Å
742	R	51.7	Low	48.2	Very low	181 Å²	181	124.5 Å²	124.5	68%	0.683	60%	0.604	S	S	*	*	H	α-helix	trans	-59.4	-39.3	176.1	177.8	176.5	155.7	105.7	-2.2	112.3	F738 A745 F746	F738-R742 WeakPolarHBondContact O-CB 3.41Å; F738-R742 PolarHBondContact O-N 3.44Å; R742-A745 PolarHBondContact O-N 3.12Å; R742-F746 VanDerWaalsContact O-CB 3.28Å; R742-F746 WeakPolarHBondContact O-CB 3.05Å; R742-F746 PolarHBondContact O-N 3.22Å
743	N	51.8	Low	48.8	Very low	90 Å²	90	122.5 Å²	122.5	48%	0.481	60%	0.601	S	S	.	*	H	α-helix	trans	-70.3	-36.9	175.5	-73.7	-8.3	0	0	0	112.3	I739 E741 F746 N747	I739-N743 WeakPolarHBondContact O-CB 3.41Å; I739-N743 PolarHBondContact O-N 3.2Å; E741-N743 VanDerWaalsContact C-N 3.3Å; E741-N743 PolarHBondContact O-N 3.47Å; N743-F746 PolarHBondContact O-N 2.83Å; N743-N747 PolarHBondContact O-N 3.33Å
744	K	59.7	Low	49.3	Very low	145 Å²	145	118.9 Å²	118.9	63%	0.63	60%	0.598	S	S	*	*	H	α-helix	trans	-63.8	-42.8	173.4	-161.2	175.2	-175.5	-177.8	0	111.5	K740 E741 Q748	K740-K744 WeakPolarHBondContact O-CB 3.46Å; K740-K744 PolarHBondContact O-N 3.02Å; K740-K744 VanDerWaalsContact O-N 3.08Å; E741-K744 WeakPolarHBondContact O-CB 3.26Å; E741-K744 PolarHBondContact O-N 3.08Å; E741-K744 VanDerWaalsContact O-N 3.13Å; K744-Q748 WeakPolarHBondContact O-CB 3.26Å; K744-Q748 WeakPolarHBondContact O-CG 3.48Å; K744-Q748 PolarHBondContact O-N 3.26Å
745	A	54.4	Low	49.8	Very low	54 Å²	54	116.6 Å²	116.6	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-69.1	-34.7	175.1	0	0	0	0	0	113	E741 R742 R749	E741-A745 WeakPolarHBondContact O-CB 3.46Å; E741-A745 PolarHBondContact O-N 3.23Å; R742-A745 PolarHBondContact O-N 3.12Å; A745-R749 VanDerWaalsContact O-CB 3.23Å; A745-R749 WeakPolarHBondContact O-CB 3.44Å; A745-R749 PolarHBondContact O-N 3.12Å
746	F	50.8	Low	50	Low	95 Å²	95	118.6 Å²	118.6	42%	0.417	59%	0.589	S	S	.	*	H	α-helix	trans	-67	-44.4	175.3	-175.1	-99.3	0	0	0	111.6	R742 N743 R749 M750	R742-F746 VanDerWaalsContact O-CB 3.28Å; R742-F746 WeakPolarHBondContact O-CB 3.05Å; R742-F746 PolarHBondContact O-N 3.22Å; N743-F746 PolarHBondContact O-N 2.83Å; F746-R749 CarbonylContact O-C 3.46Å; F746-R749 PolarHBondContact O-N 2.82Å; F746-M750 HydrophobicContact CD1-CG 4.4Å; F746-M750 HydrophobicContact CE1-CE 4.06Å; F746-M750 HydrophobicContact CE1-CG 4.06Å; F746-M750 HydrophobicContact CE2-CE 4Å; F746-M750 HydrophobicContact CZ-CE 3.46Å; F746-M750 VanDerWaalsContact CZ-CE 3.46Å; F746-M750 HydrophobicContact CZ-CG 4.31Å; F746-M750 PolarHBondContact O-N 2.68Å
747	N	52.2	Low	49.8	Very low	95 Å²	95	123.6 Å²	123.6	51%	0.508	59%	0.594	S	S	.	*	H	α-helix	trans	-63.2	-49.2	175.1	-70.1	-9.2	0	0	0	111	N743 R749 M750 D751	N743-N747 PolarHBondContact O-N 3.33Å; N747-R749 PolarHBondContact O-N 2.71Å; N747-R749 VanDerWaalsContact O-N 3.12Å; N747-M750 WeakPolarHBondContact O-CA 3.47Å; N747-M750 PolarHBondContact O-N 3.18Å; N747-D751 PolarHBondContact O-N 2.62Å
748	Q	54.1	Low	49.4	Very low	115 Å²	115	123.7 Å²	123.7	54%	0.537	59%	0.594	S	S	.	*	H	α-helix	trans	-58.2	-27.4	173.7	-74.6	179.9	-11.2	0	0	113.7	K744 K752	K744-Q748 WeakPolarHBondContact O-CB 3.26Å; K744-Q748 WeakPolarHBondContact O-CG 3.48Å; K744-Q748 PolarHBondContact O-N 3.26Å; Q748-K752 WeakPolarHBondContact O-CB 3.13Å; Q748-K752 WeakPolarHBondContact O-CG 3.47Å; Q748-K752 PolarHBondContact O-N 2.71Å
749	R	53.8	Low	48.9	Very low	194 Å²	194	122.7 Å²	122.7	73%	0.732	60%	0.596	S	S	*	*	H	α-helix	trans	-82.3	-28.2	174.8	-165.7	172	-170.5	171	3.7	112.7	A745 F746 N747 V753	A745-R749 VanDerWaalsContact O-CB 3.23Å; A745-R749 WeakPolarHBondContact O-CB 3.44Å; A745-R749 PolarHBondContact O-N 3.12Å; F746-R749 CarbonylContact O-C 3.46Å; F746-R749 PolarHBondContact O-N 2.82Å; N747-R749 PolarHBondContact O-N 2.71Å; N747-R749 VanDerWaalsContact O-N 3.12Å; R749-V753 WeakPolarHBondContact O-CG2 3.38Å; R749-V753 PolarHBondContact O-N 2.72Å
750	M	47.3	Very low	48.3	Very low	83 Å²	83	125.3 Å²	125.3	41%	0.409	61%	0.61	S	S	.	*	H	α-helix	trans	-73.9	-42.2	171	-78.6	-65.1	177.6	0	0	111.7	F746 N747 K752 V753 V754	F746-M750 HydrophobicContact CD1-CG 4.4Å; F746-M750 HydrophobicContact CE1-CE 4.06Å; F746-M750 HydrophobicContact CE1-CG 4.06Å; F746-M750 HydrophobicContact CE2-CE 4Å; F746-M750 HydrophobicContact CZ-CE 3.46Å; F746-M750 VanDerWaalsContact CZ-CE 3.46Å; F746-M750 HydrophobicContact CZ-CG 4.31Å; F746-M750 PolarHBondContact O-N 2.68Å; N747-M750 WeakPolarHBondContact O-CA 3.47Å; N747-M750 PolarHBondContact O-N 3.18Å; M750-K752 PolarHBondContact O-N 2.64Å; M750-V753 CarbonylContact O-C 3.57Å; M750-V753 WeakPolarHBondContact O-CA 3.25Å; M750-V753 WeakPolarHBondContact O-CB 3.21Å; M750-V753 PolarHBondContact O-N 3.47Å; M750-V754 PolarHBondContact O-N 2.77Å
751	D	49.5	Very low	47.5	Very low	96 Å²	96	124.5 Å²	124.5	51%	0.513	61%	0.614	S	S	.	*	H	α-helix	trans	-58.7	-48.7	174.1	-63.3	-35.7	0	0	0	110.3	N747 V753 V754 D755	N747-D751 PolarHBondContact O-N 2.62Å; D751-V753 PolarHBondContact O-N 3.44Å; D751-V754 WeakPolarHBondContact O-CA 3.45Å; D751-V754 WeakPolarHBondContact O-CB 3.4Å; D751-V754 PolarHBondContact O-N 3.32Å; D751-D755 PolarHBondContact O-N 3.04Å
752	K	50.6	Low	46.9	Very low	148 Å²	148	123.6 Å²	123.6	64%	0.643	62%	0.617	S	S	*	*	H	α-helix	trans	-63.4	-11	172.3	-73.2	-178.3	177	-174.9	0	115	Q748 M750 N756	Q748-K752 WeakPolarHBondContact O-CB 3.13Å; Q748-K752 WeakPolarHBondContact O-CG 3.47Å; Q748-K752 PolarHBondContact O-N 2.71Å; M750-K752 PolarHBondContact O-N 2.64Å; K752-N756 PolarHBondContact O-ND2 3.38Å
753	V	49.8	Very low	46	Very low	83 Å²	83	121.4 Å²	121.4	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-97.5	-17.7	171.5	165.5	0	0	0	0	111.9	R749 M750 D751	R749-V753 WeakPolarHBondContact O-CG2 3.38Å; R749-V753 PolarHBondContact O-N 2.72Å; M750-V753 CarbonylContact O-C 3.57Å; M750-V753 WeakPolarHBondContact O-CA 3.25Å; M750-V753 WeakPolarHBondContact O-CB 3.21Å; M750-V753 PolarHBondContact O-N 3.47Å; D751-V753 PolarHBondContact O-N 3.44Å
754	V	48.6	Very low	45.2	Very low	105 Å²	105	122.3 Å²	122.3	64%	0.636	62%	0.62	S	S	*	*	H	α-helix	trans	-79.4	-39.4	168.8	173.4	0	0	0	0	111	M750 D751 N756	M750-V754 PolarHBondContact O-N 2.77Å; D751-V754 WeakPolarHBondContact O-CA 3.45Å; D751-V754 WeakPolarHBondContact O-CB 3.4Å; D751-V754 PolarHBondContact O-N 3.32Å; V754-N756 VanDerWaalsContact C-N 3.31Å; V754-N756 PolarHBondContact O-N 3.2Å
755	D	46.9	Very low	44.2	Very low	110 Å²	110	124 Å²	124	59%	0.588	63%	0.631	S	S	*	*	S	Bend	trans	-71.3	-21.3	179.9	-68	-29.2	0	0	0	113.8	D751 Y757	D751-D755 PolarHBondContact O-N 3.04Å; D755-Y757 PolarHBondContact O-N 3.1Å
756	N	40.3	Very low	43.8	Very low	138 Å²	138	125.4 Å²	125.4	74%	0.738	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	29.9	174.3	-89.7	-66.8	0	0	0	113.8	K752 V754	K752-N756 PolarHBondContact O-ND2 3.38Å; V754-N756 VanDerWaalsContact C-N 3.31Å; V754-N756 PolarHBondContact O-N 3.2Å
757	Y	35.2	Very low	43.1	Very low	181 Å²	181	129 Å²	129	71%	0.71	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	37.6	171	-143.4	-90.2	0	0	0	112.2	D755	D755-Y757 PolarHBondContact O-N 3.1Å
758	V	38.9	Very low	42.3	Very low	105 Å²	105	132 Å²	132	64%	0.636	68%	0.675	S	S	*	*	S	Bend	trans	-117.8	150.4	171.3	-177	0	0	0	0	108.3
759	D	35	Very low	41.4	Very low	138 Å²	138	136.4 Å²	136.4	74%	0.738	69%	0.693	S	S	*	*			trans	47	79.9	171.1	-60.9	-18.9	0	0	0	118.7
760	L	37.6	Very low	40.5	Very low	165 Å²	165	131 Å²	131	86%	0.864	69%	0.69	S	S	*	*			trans	-114.7	77	137.9	-77.4	178.5	0	0	0	109.4	V762	L760-V762 HydrophobicContact CB-CG2 4.48Å; L760-V762 HydrophobicContact CD2-CG2 4.03Å; L760-V762 PolarHBondContact O-N 2.96Å
761	N	36.4	Very low	39.9	Very low	160 Å²	160	136.6 Å²	136.6	86%	0.856	71%	0.707	S	S	*	*			trans	-82.9	88.9	163.2	-153.9	37.4	0	0	0	106.8
762	V	39.8	Very low	39.1	Very low	114 Å²	114	140.1 Å²	140.1	69%	0.691	73%	0.725	S	S	*	*			trans	-129.8	131.9	-178.4	179.8	0	0	0	0	108.8	L760	L760-V762 HydrophobicContact CB-CG2 4.48Å; L760-V762 HydrophobicContact CD2-CG2 4.03Å; L760-V762 PolarHBondContact O-N 2.96Å
763	D	34.2	Very low	38.4	Very low	135 Å²	135	138.4 Å²	138.4	72%	0.722	73%	0.727	S	S	*	*			trans	-77.9	175.7	-170.3	-53.9	-78.2	0	0	0	114.6
764	Q	34.1	Very low	37.6	Very low	109 Å²	109	141.5 Å²	141.5	51%	0.509	74%	0.741	S	S	.	*	S	Bend	trans	64.3	125.2	161.9	-62	-178.4	-70.4	0	0	118	S766	Q764-S766 PolarHBondContact O-N 2.86Å
765	E	38.4	Very low	37.1	Very low	181 Å²	181	143.2 Å²	143.2	85%	0.846	75%	0.752	S	S	*	*	S	Bend		31.5	-11.5	117.9	-59	178.4	117.6	0	0	122.6	L767	E765-L767 PolarHBondContact O-N 3.24Å
766	S	47.4	Very low	36.3	Very low	83 Å²	83	142.4 Å²	142.4	58%	0.58	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	7.6	-163.5	-56.9	0	0	0	0	115.8	Q764	Q764-S766 PolarHBondContact O-N 2.86Å
767	L	35	Very low	36	Very low	170 Å²	170	147.5 Å²	147.5	89%	0.89	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	24.1	-175.3	-72	178.7	0	0	0	115.4	E765	E765-L767 PolarHBondContact O-N 3.24Å
768	L	36.4	Very low	36.2	Very low	159 Å²	159	147.2 Å²	147.2	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-110.5	-4.8	166.4	-77.8	175.7	0	0	0	114.9
769	F	33.6	Very low	36	Very low	207 Å²	207	152.5 Å²	152.5	91%	0.908	79%	0.79	S	S	*	*	S	Bend	trans	-142.1	68	179.7	-80.2	-82.5	0	0	0	113.2
770	A	35.9	Very low	36	Very low	82 Å²	82	152.4 Å²	152.4	68%	0.678	79%	0.789	S	S	*	*			trans	-163.5	67.2	168.3	0	0	0	0	0	115.2
771	R	33.6	Very low	35.9	Very low	200 Å²	200	150.5 Å²	150.5	76%	0.755	78%	0.78	S	S	*	*	S	Bend	trans	-178.8	81.9	142.6	-104.1	174.4	-169.1	-160.9	3.3	111.7
772	N	34.2	Very low	36	Very low	169 Å²	169	150.2 Å²	150.2	90%	0.904	78%	0.778	S	S	*	*			trans	-165.8	69.1	152.9	-98.6	-8.2	0	0	0	106.1
773	T	34.2	Very low	35.8	Very low	113 Å²	113	149 Å²	149	69%	0.693	78%	0.775	S	S	*	*			trans	-99.9	169.6	165.5	51.5	0	0	0	0	108.8
774	D	34.5	Very low	36.1	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	77%	0.774	S	S	*	*	S	Bend	trans	74.1	50.5	162.2	-44.2	-52	0	0	0	116.5
775	T	36.9	Very low	36.2	Very low	141 Å²	141	151.1 Å²	151.1	87%	0.865	79%	0.79	S	S	*	*	S	Bend	trans	-149.4	157.4	137.9	8.7	0	0	0	0	110.4
776	A	31.6	Very low	36.2	Very low	94 Å²	94	150 Å²	150	78%	0.777	79%	0.788	S	S	*	*			trans	57.7	69.8	174.4	0	0	0	0	0	117.3
777	R	32.7	Very low	35.7	Very low	245 Å²	245	152.3 Å²	152.3	93%	0.925	80%	0.799	S	S	*	*			trans	-68.7	159	132.3	-76.8	-176.9	174.7	-179.9	-1.1	108.2
778	Q	39.4	Very low	35.9	Very low	174 Å²	174	150.4 Å²	150.4	81%	0.813	79%	0.794	S	S	*	*			trans	74.8	88.6	-171.9	-49.1	178.1	8.6	0	0	114.3
779	F	34.5	Very low	36.1	Very low	217 Å²	217	148.7 Å²	148.7	95%	0.952	79%	0.79	S	S	*	*				-152.2	152.2	105.2	-98.5	-71.8	0	0	0	108.5
780	N	35.6	Very low	36.3	Very low	135 Å²	135	143.9 Å²	143.9	72%	0.722	78%	0.782	S	S	*	*			trans	-116.5	145.2	-162.2	-149.1	9.5	0	0	0	111.6
781	N	35.9	Very low	36.4	Very low	125 Å²	125	142.8 Å²	142.8	67%	0.668	77%	0.77	S	S	*	*			trans	40.7	100.6	160.8	-58.6	-24.8	0	0	0	119
782	N	37.8	Very low	37.1	Very low	154 Å²	154	138 Å²	138	82%	0.824	77%	0.765	S	S	*	*				-177	121.6	104.4	-92.6	-22.3	0	0	0	115.2
783	S	36.2	Very low	37.5	Very low	89 Å²	89	139.2 Å²	139.2	62%	0.622	76%	0.758	S	S	*	*			trans	26.6	128.4	142.6	65.5	0	0	0	0	123
784	N	39.6	Very low	38.4	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	75%	0.753	S	S	*	*			trans	89	111.1	143.3	-55.7	-27.8	0	0	0	120.5
785	N	36.7	Very low	39.2	Very low	159 Å²	159	136.6 Å²	136.6	85%	0.85	74%	0.742	S	S	*	*			trans	45.1	79.6	142.5	-64.2	8.5	0	0	0	118.7
786	I	38.7	Very low	40.5	Very low	157 Å²	157	133.3 Å²	133.3	81%	0.805	73%	0.726	S	S	*	*			trans	-109.3	120.1	153.1	-68.4	179.4	0	0	0	109.3	V788	I786-V788 PolarHBondContact O-N 2.75Å; I786-V788 VanDerWaalsContact O-N 3.08Å
787	T	35.9	Very low	42.3	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	71%	0.712	S	S	*	*			trans	-72.9	94.3	179.2	-54.1	0	0	0	0	110.4	T789	T787-T789 PolarHBondContact O-N 2.75Å
788	V	39.3	Very low	44.4	Very low	130 Å²	130	128.8 Å²	128.8	79%	0.788	70%	0.696	S	S	*	*			trans	-70.8	114.4	170.9	-178.6	0	0	0	0	108.9	I786 S790	I786-V788 PolarHBondContact O-N 2.75Å; I786-V788 VanDerWaalsContact O-N 3.08Å; V788-S790 PolarHBondContact O-N 3Å
789	T	41	Very low	46.1	Very low	122 Å²	122	126.5 Å²	126.5	75%	0.748	69%	0.686	S	S	*	*			trans	-60.4	130.5	-179.6	46.8	0	0	0	0	111.1	T787 S791	T787-T789 PolarHBondContact O-N 2.75Å; T789-S791 PolarHBondContact O-N 3.45Å
790	S	38.5	Very low	48.1	Very low	106 Å²	106	121.3 Å²	121.3	74%	0.741	67%	0.665	S	S	*	*			trans	-66.9	98	177.2	56.3	0	0	0	0	110.4	V788	V788-S790 PolarHBondContact O-N 3Å
791	S	37.5	Very low	50.1	Low	60 Å²	60	117.2 Å²	117.2	42%	0.42	65%	0.649	S	S	.	*			trans	-56.6	130.1	175.7	177.5	0	0	0	0	110.5	T789 Y793 T794	T789-S791 PolarHBondContact O-N 3.45Å; S791-Y793 PolarHBondContact O-N 3.2Å; S791-T794 PolarHBondContact O-N 3.44Å; S791-T794 PolarHBondContact O-OG1 3Å
792	P	48.6	Very low	52.3	Low	100 Å²	100	116.3 Å²	116.3	65%	0.649	64%	0.641	S	S	*	*	H	α-helix	trans	-63.4	-14.2	-175.6	25.1	-34.4	0	0	0	113.8	T794	P792-T794 PolarHBondContact O-N 3.31Å
793	Y	41.9	Very low	54.4	Low	194 Å²	194	111.5 Å²	111.5	76%	0.761	62%	0.623	S	S	*	*	H	α-helix	trans	-68.1	-27.7	-180	-76	-90.8	0	0	0	114.4	S791	S791-Y793 PolarHBondContact O-N 3.2Å
794	T	54.3	Low	56.7	Low	98 Å²	98	110.5 Å²	110.5	60%	0.601	61%	0.61	S	S	*	*	H	α-helix	trans	-78.3	-37.2	-176.8	58.5	0	0	0	0	112.9	S791 P792 S796 H797 K798	S791-T794 PolarHBondContact O-N 3.44Å; S791-T794 PolarHBondContact O-OG1 3Å; P792-T794 PolarHBondContact O-N 3.31Å; T794-S796 VanDerWaalsContact C-N 3.31Å; T794-S796 PolarHBondContact O-N 3.49Å; T794-H797 PolarHBondContact O-N 3.07Å; T794-K798 PolarHBondContact O-N 2.86Å
795	L	50.9	Low	59	Low	106 Å²	106	108.9 Å²	108.9	56%	0.555	60%	0.601	S	S	*	*	H	α-helix	trans	-61.7	-38	176.5	-98.5	150.3	0	0	0	112.3	H797 K798 Q799	L795-H797 VanDerWaalsContact C-N 3.31Å; L795-H797 PolarHBondContact O-N 3.34Å; L795-K798 PolarHBondContact O-N 3.41Å; L795-Q799 WeakPolarHBondContact O-CG 3.12Å; L795-Q799 PolarHBondContact O-N 3.1Å
796	S	63.3	Low	61.3	Low	73 Å²	73	109.3 Å²	109.3	51%	0.51	59%	0.59	S	S	.	*	H	α-helix	trans	-56.3	-45.4	174.5	-169.9	0	0	0	0	111.7	T794 K798 Q799 E800	T794-S796 VanDerWaalsContact C-N 3.31Å; T794-S796 PolarHBondContact O-N 3.49Å; S796-K798 PolarHBondContact O-N 3.43Å; S796-Q799 PolarHBondContact O-N 3.39Å; S796-E800 WeakPolarHBondContact O-CB 3.42Å; S796-E800 PolarHBondContact O-N 3.28Å
797	H	71.1	Confident	63.6	Low	106 Å²	106	104.8 Å²	104.8	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-71.4	-28.9	-172.1	-140	-40.9	0	0	0	113.1	N696 T794 L795 A801	N696-H797 PolarHBondContact ND2-NE2 2.82Å; T794-H797 PolarHBondContact O-N 3.07Å; L795-H797 VanDerWaalsContact C-N 3.31Å; L795-H797 PolarHBondContact O-N 3.34Å; H797-A801 PolarHBondContact O-N 3.16Å
798	K	76.3	Confident	66.1	Low	137 Å²	137	104.9 Å²	104.9	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-72.5	-44.6	172	179.8	170	173.7	173	0	111.9	T794 L795 S796 E800 A801 E802	T794-K798 PolarHBondContact O-N 2.86Å; L795-K798 PolarHBondContact O-N 3.41Å; S796-K798 PolarHBondContact O-N 3.43Å; K798-E800 VanDerWaalsContact C-N 3.28Å; K798-E800 PolarHBondContact O-N 3.48Å; K798-A801 PolarHBondContact O-N 2.68Å; K798-E802 WeakPolarHBondContact CE-OE1 3.45Å; K798-E802 IonicContact NZ-OE1 3.78Å; K798-E802 PolarHBondContact O-N 2.87Å
799	Q	74	Confident	68.5	Low	126 Å²	126	107.9 Å²	107.9	59%	0.589	55%	0.548	S	S	*	.	H	α-helix	trans	-62.1	-37.1	177	-69.8	179.5	-2.4	0	0	111.9	L795 S796 A803	L795-Q799 WeakPolarHBondContact O-CG 3.12Å; L795-Q799 PolarHBondContact O-N 3.1Å; S796-Q799 PolarHBondContact O-N 3.39Å; Q799-A803 WeakPolarHBondContact O-CB 3.5Å; Q799-A803 PolarHBondContact O-N 3.15Å
800	E	77.6	Confident	70.8	Confident	109 Å²	109	106 Å²	106	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-42.5	174.4	-172.2	170.1	-162.5	0	0	112.4	S796 K798 A803 I804	S796-E800 WeakPolarHBondContact O-CB 3.42Å; S796-E800 PolarHBondContact O-N 3.28Å; K798-E800 VanDerWaalsContact C-N 3.28Å; K798-E800 PolarHBondContact O-N 3.48Å; E800-A803 PolarHBondContact O-N 2.7Å; E800-I804 HydrophobicContact CG-CD1 4.14Å; E800-I804 VanDerWaalsContact O-CG1 3.31Å; E800-I804 WeakPolarHBondContact O-CG1 3.4Å; E800-I804 PolarHBondContact O-N 3.16Å
801	A	77.7	Confident	73.1	Confident	49 Å²	49	105.1 Å²	105.1	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.7	0	0	0	0	0	112.6	H797 K798 A803 I804 L805	H797-A801 PolarHBondContact O-N 3.16Å; K798-A801 PolarHBondContact O-N 2.68Å; A801-A803 VanDerWaalsContact C-N 3.35Å; A801-A803 PolarHBondContact O-N 3.2Å; A801-I804 PolarHBondContact O-N 2.68Å; A801-L805 WeakPolarHBondContact O-CG 3.4Å; A801-L805 PolarHBondContact O-N 3.24Å
802	E	81.6	Confident	75.6	Confident	105 Å²	105	104.4 Å²	104.4	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-39.4	175.2	-72.8	175.2	-171.2	0	0	111.8	K798 L805 W806	K798-E802 WeakPolarHBondContact CE-OE1 3.45Å; K798-E802 IonicContact NZ-OE1 3.78Å; K798-E802 PolarHBondContact O-N 2.87Å; E802-L805 PolarHBondContact O-N 3.42Å; E802-W806 WeakPolarHBondContact O-CB 3.26Å; E802-W806 PolarHBondContact O-N 2.97Å
803	A	80.8	Confident	77.5	Confident	53 Å²	53	102.2 Å²	102.2	44%	0.438	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.7	0	0	0	0	0	112.5	Q799 E800 A801 W806 E807	Q799-A803 WeakPolarHBondContact O-CB 3.5Å; Q799-A803 PolarHBondContact O-N 3.15Å; E800-A803 PolarHBondContact O-N 2.7Å; A801-A803 VanDerWaalsContact C-N 3.35Å; A801-A803 PolarHBondContact O-N 3.2Å; A803-W806 PolarHBondContact O-N 3.2Å; A803-E807 WeakPolarHBondContact O-CB 3.23Å; A803-E807 PolarHBondContact O-N 3.15Å
804	I	86.2	Confident	79.8	Confident	68 Å²	68	97.5 Å²	97.5	35%	0.349	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-41	177.1	-68.4	164	0	0	0	111.1	E800 A801 E807 R808	E800-I804 HydrophobicContact CG-CD1 4.14Å; E800-I804 VanDerWaalsContact O-CG1 3.31Å; E800-I804 WeakPolarHBondContact O-CG1 3.4Å; E800-I804 PolarHBondContact O-N 3.16Å; A801-I804 PolarHBondContact O-N 2.68Å; I804-E807 PolarHBondContact O-N 2.87Å; I804-R808 WeakPolarHBondContact O-CB 3.46Å; I804-R808 WeakPolarHBondContact O-CG 3.11Å; I804-R808 PolarHBondContact O-N 3.18Å
805	L	86.5	Confident	81.5	Confident	97 Å²	97	101.6 Å²	101.6	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-42.8	175.4	-74.5	172	0	0	0	112.2	A801 E802 R808 R809	A801-L805 WeakPolarHBondContact O-CG 3.4Å; A801-L805 PolarHBondContact O-N 3.24Å; E802-L805 PolarHBondContact O-N 3.42Å; L805-R808 PolarHBondContact O-N 2.84Å; L805-R809 WeakPolarHBondContact O-CG 3.4Å; L805-R809 PolarHBondContact O-N 2.93Å
806	W	85.6	Confident	83.4	Confident	168 Å²	168	102.2 Å²	102.2	64%	0.636	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-42.9	174.8	-178	86.7	0	0	0	111.7	E802 A803 R809 K810	E802-W806 WeakPolarHBondContact O-CB 3.26Å; E802-W806 PolarHBondContact O-N 2.97Å; A803-W806 PolarHBondContact O-N 3.2Å; W806-R809 PolarHBondContact O-N 3.34Å; W806-K810 HydrophobicContact CE3-CD 4.17Å; W806-K810 HydrophobicContact CH2-CD 3.69Å; W806-K810 HydrophobicContact CZ2-CD 4.35Å; W806-K810 HydrophobicContact CZ3-CD 3.58Å; W806-K810 VanDerWaalsContact O-CB 3.25Å; W806-K810 WeakPolarHBondContact O-CB 3.33Å; W806-K810 PolarHBondContact O-N 2.91Å
807	E	86.5	Confident	84.7	Confident	61 Å²	61	106.6 Å²	106.6	29%	0.285	50%	0.501	S	S	.	.	H	α-helix	trans	-68.7	-37.8	179.2	-169.2	142.2	-115.8	0	0	112.4	W700 A803 I804 K810 M811	W700-E807 HydrophobicContact CH2-CG 4.2Å; W700-E807 HydrophobicContact CZ2-CB 3.99Å; W700-E807 HydrophobicContact CZ2-CG 3.61Å; W700-E807 PolarHBondContact NE1-OE2 3.32Å; A803-E807 WeakPolarHBondContact O-CB 3.23Å; A803-E807 PolarHBondContact O-N 3.15Å; I804-E807 PolarHBondContact O-N 2.87Å; E807-K810 PolarHBondContact O-N 2.78Å; E807-K810 IonicContact OE1-NZ 3.96Å; E807-K810 PolarHBondContact OE1-NZ 3.31Å; E807-M811 WeakPolarHBondContact O-CB 3.31Å; E807-M811 VanDerWaalsContact O-CG 3.28Å; E807-M811 WeakPolarHBondContact O-CG 3.19Å; E807-M811 PolarHBondContact O-N 2.87Å
808	R	88.9	Confident	85.6	Confident	134 Å²	134	108.2 Å²	108.2	51%	0.506	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-49.7	169.5	-77	-179.4	176.6	-152	-2.9	112	I804 L805 K810 M811 A812	I804-R808 WeakPolarHBondContact O-CB 3.46Å; I804-R808 WeakPolarHBondContact O-CG 3.11Å; I804-R808 PolarHBondContact O-N 3.18Å; L805-R808 PolarHBondContact O-N 2.84Å; R808-K810 PolarHBondContact O-N 3.42Å; R808-M811 PolarHBondContact O-N 3.31Å; R808-A812 PolarHBondContact O-N 2.88Å
809	R	89.2	Confident	86.3	Confident	193 Å²	193	107.2 Å²	107.2	73%	0.728	50%	0.504	S	S	*	.	H	α-helix	trans	-60	-43.7	178.3	-75.1	176.3	174.5	171.9	-1.3	111.8	L805 W806 A812 A813	L805-R809 WeakPolarHBondContact O-CG 3.4Å; L805-R809 PolarHBondContact O-N 2.93Å; W806-R809 PolarHBondContact O-N 3.34Å; R809-A812 PolarHBondContact O-N 2.88Å; R809-A813 PolarHBondContact O-N 3.45Å
810	K	89.1	Confident	87.1	Confident	82 Å²	82	107.1 Å²	107.1	36%	0.357	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-45.5	173.4	170.3	-174.7	161.6	-152.9	0	112.1	W806 E807 R808 A813 L814	W806-K810 HydrophobicContact CE3-CD 4.17Å; W806-K810 HydrophobicContact CH2-CD 3.69Å; W806-K810 HydrophobicContact CZ2-CD 4.35Å; W806-K810 HydrophobicContact CZ3-CD 3.58Å; W806-K810 VanDerWaalsContact O-CB 3.25Å; W806-K810 WeakPolarHBondContact O-CB 3.33Å; W806-K810 PolarHBondContact O-N 2.91Å; E807-K810 PolarHBondContact O-N 2.78Å; E807-K810 IonicContact OE1-NZ 3.96Å; E807-K810 PolarHBondContact OE1-NZ 3.31Å; R808-K810 PolarHBondContact O-N 3.42Å; K810-A813 PolarHBondContact O-N 3.28Å; K810-L814 HydrophobicContact CG-CD1 4.16Å; K810-L814 WeakPolarHBondContact O-CB 2.98Å; K810-L814 VanDerWaalsContact O-CG 3.27Å; K810-L814 WeakPolarHBondContact O-CG 3.27Å; K810-L814 PolarHBondContact O-N 3.27Å
811	M	87.9	Confident	87.6	Confident	88 Å²	88	105.8 Å²	105.8	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-67.3	-36.9	178	-72.5	-63.8	-73.2	0	0	112.7	E807 R808 L814 R815	E807-M811 WeakPolarHBondContact O-CB 3.31Å; E807-M811 VanDerWaalsContact O-CG 3.28Å; E807-M811 WeakPolarHBondContact O-CG 3.19Å; E807-M811 PolarHBondContact O-N 2.87Å; R808-M811 PolarHBondContact O-N 3.31Å; M811-L814 PolarHBondContact O-N 3.26Å; M811-L814 HydrophobicContact SD-CD1 4.36Å; M811-R815 WeakPolarHBondContact O-CG 2.92Å; M811-R815 PolarHBondContact O-N 3.28Å; M811-R815 VanDerWaalsContact O-N 3.08Å
812	A	90.5	Very high	88.3	Confident	46 Å²	46	109 Å²	109	38%	0.38	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-49	173.8	0	0	0	0	0	112	R808 R809 L814 R815 Q816	R808-A812 PolarHBondContact O-N 2.88Å; R809-A812 PolarHBondContact O-N 2.88Å; A812-L814 VanDerWaalsContact C-N 3.28Å; A812-L814 PolarHBondContact O-N 3Å; A812-R815 WeakPolarHBondContact O-CB 3.43Å; A812-R815 PolarHBondContact O-N 3.38Å; A812-R815 VanDerWaalsContact O-N 3.08Å; A812-Q816 PolarHBondContact O-N 2.99Å
813	A	88.3	Confident	88.7	Confident	54 Å²	54	109.3 Å²	109.3	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-34.9	176.7	0	0	0	0	0	112.8	R809 K810 R817	R809-A813 PolarHBondContact O-N 3.45Å; K810-A813 PolarHBondContact O-N 3.28Å; A813-R817 WeakPolarHBondContact O-CB 3.36Å; A813-R817 PolarHBondContact O-N 3.34Å
814	L	88.7	Confident	89.1	Confident	94 Å²	94	111.3 Å²	111.3	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-68.4	-34.5	173.9	-74.4	170	0	0	0	112.9	K810 M811 A812 K818	K810-L814 HydrophobicContact CG-CD1 4.16Å; K810-L814 WeakPolarHBondContact O-CB 2.98Å; K810-L814 VanDerWaalsContact O-CG 3.27Å; K810-L814 WeakPolarHBondContact O-CG 3.27Å; K810-L814 PolarHBondContact O-N 3.27Å; M811-L814 PolarHBondContact O-N 3.26Å; M811-L814 HydrophobicContact SD-CD1 4.36Å; A812-L814 VanDerWaalsContact C-N 3.28Å; A812-L814 PolarHBondContact O-N 3Å; L814-K818 PolarHBondContact O-N 3.26Å; L814-K818 VanDerWaalsContact O-N 3.07Å
815	R	91.3	Very high	89.2	Confident	184 Å²	184	110.9 Å²	110.9	69%	0.694	51%	0.513	S	S	*	.	H	α-helix	trans	-66.4	-52.9	172.7	-71	176.5	-171.6	169.4	0.5	111.3	M811 A812 R817 K818 E819	M811-R815 WeakPolarHBondContact O-CG 2.92Å; M811-R815 PolarHBondContact O-N 3.28Å; M811-R815 VanDerWaalsContact O-N 3.08Å; A812-R815 WeakPolarHBondContact O-CB 3.43Å; A812-R815 PolarHBondContact O-N 3.38Å; A812-R815 VanDerWaalsContact O-N 3.08Å; R815-R817 VanDerWaalsContact C-N 3.25Å; R815-R817 PolarHBondContact O-N 3.01Å; R815-K818 WeakPolarHBondContact O-CA 3.37Å; R815-K818 WeakPolarHBondContact O-CB 3.18Å; R815-K818 PolarHBondContact O-N 3.2Å; R815-E819 PolarHBondContact O-N 3.24Å
816	Q	91.4	Very high	89.5	Confident	120 Å²	120	113.2 Å²	113.2	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-55.3	-41.8	177.9	-71.8	176	-27.7	0	0	111.6	A812 E819 Q820	A812-Q816 PolarHBondContact O-N 2.99Å; Q816-E819 PolarHBondContact O-N 3.13Å; Q816-Q820 WeakPolarHBondContact O-CB 2.94Å; Q816-Q820 VanDerWaalsContact O-CG 3.29Å; Q816-Q820 WeakPolarHBondContact O-CG 3.31Å; Q816-Q820 PolarHBondContact O-N 3.14Å
817	R	88.6	Confident	89.6	Confident	165 Å²	165	107.8 Å²	107.8	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-37.5	174.9	-174.1	176.5	177.3	-174.2	-0.5	113	A813 R815 L821	A813-R817 WeakPolarHBondContact O-CB 3.36Å; A813-R817 PolarHBondContact O-N 3.34Å; R815-R817 VanDerWaalsContact C-N 3.25Å; R815-R817 PolarHBondContact O-N 3.01Å; R817-L821 HydrophobicContact CG-CD1 4.47Å; R817-L821 VanDerWaalsContact O-CG 3.32Å; R817-L821 WeakPolarHBondContact O-CG 3.32Å; R817-L821 PolarHBondContact O-N 3.32Å; R817-L821 VanDerWaalsContact O-N 3.14Å
818	K	90.5	Very high	89.7	Confident	140 Å²	140	111.1 Å²	111.1	61%	0.609	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-44.3	174.9	-172.6	-171.5	176.1	-167.7	0	110.8	L814 R815 L821 M822	L814-K818 PolarHBondContact O-N 3.26Å; L814-K818 VanDerWaalsContact O-N 3.07Å; R815-K818 WeakPolarHBondContact O-CA 3.37Å; R815-K818 WeakPolarHBondContact O-CB 3.18Å; R815-K818 PolarHBondContact O-N 3.2Å; K818-L821 WeakPolarHBondContact O-CB 3.18Å; K818-L821 PolarHBondContact O-N 2.8Å; K818-M822 WeakPolarHBondContact O-CG 3.32Å; K818-M822 PolarHBondContact O-N 3.13Å
819	E	92	Very high	89.7	Confident	116 Å²	116	110.5 Å²	110.5	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-47.7	178.3	-176.2	176.8	-170.8	0	0	111.9	R815 Q816 L821 M822 L823	R815-E819 PolarHBondContact O-N 3.24Å; Q816-E819 PolarHBondContact O-N 3.13Å; E819-L821 VanDerWaalsContact C-N 3.27Å; E819-L821 PolarHBondContact O-N 3.23Å; E819-M822 PolarHBondContact O-N 2.86Å; E819-M822 VanDerWaalsContact O-N 3.14Å; E819-L823 HydrophobicContact CG-CD1 4.5Å; E819-L823 WeakPolarHBondContact O-CG 3.22Å; E819-L823 PolarHBondContact O-N 2.97Å
820	Q	90.7	Very high	89.7	Confident	124 Å²	124	104.1 Å²	104.1	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-56.9	-37.9	172.7	-74.5	173.3	-4	0	0	112.8	Q816 L824	Q816-Q820 WeakPolarHBondContact O-CB 2.94Å; Q816-Q820 VanDerWaalsContact O-CG 3.29Å; Q816-Q820 WeakPolarHBondContact O-CG 3.31Å; Q816-Q820 PolarHBondContact O-N 3.14Å; Q820-L824 VanDerWaalsContact O-CG 3.3Å; Q820-L824 WeakPolarHBondContact O-CG 3.19Å; Q820-L824 PolarHBondContact O-N 2.8Å
821	L	88	Confident	89.5	Confident	81 Å²	81	106.5 Å²	106.5	42%	0.424	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-46.6	174.4	-72.9	167.2	0	0	0	111.6	R817 K818 E819 L823 L824 D825	R817-L821 HydrophobicContact CG-CD1 4.47Å; R817-L821 VanDerWaalsContact O-CG 3.32Å; R817-L821 WeakPolarHBondContact O-CG 3.32Å; R817-L821 PolarHBondContact O-N 3.32Å; R817-L821 VanDerWaalsContact O-N 3.14Å; K818-L821 WeakPolarHBondContact O-CB 3.18Å; K818-L821 PolarHBondContact O-N 2.8Å; E819-L821 VanDerWaalsContact C-N 3.27Å; E819-L821 PolarHBondContact O-N 3.23Å; L821-L823 VanDerWaalsContact C-N 3.28Å; L821-L823 PolarHBondContact O-N 3.14Å; L821-L824 WeakPolarHBondContact O-CB 3.26Å; L821-L824 PolarHBondContact O-N 3Å; L821-L824 VanDerWaalsContact O-N 3.08Å; L821-D825 PolarHBondContact O-N 2.87Å
822	M	91.2	Very high	89.4	Confident	116 Å²	116	108 Å²	108	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-33.3	177.3	-59.1	-160.7	-32.8	0	0	112.7	K818 E819 D825 K826	K818-M822 WeakPolarHBondContact O-CG 3.32Å; K818-M822 PolarHBondContact O-N 3.13Å; E819-M822 PolarHBondContact O-N 2.86Å; E819-M822 VanDerWaalsContact O-N 3.14Å; M822-D825 PolarHBondContact O-N 3.31Å; M822-K826 VanDerWaalsContact O-CB 3.31Å; M822-K826 WeakPolarHBondContact O-CB 3.41Å; M822-K826 PolarHBondContact O-N 2.96Å
823	L	91.4	Very high	89.5	Confident	111 Å²	111	109.7 Å²	109.7	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-68	-38.7	172.7	-69.9	172.1	0	0	0	112.3	E819 L821 S827	E819-L823 HydrophobicContact CG-CD1 4.5Å; E819-L823 WeakPolarHBondContact O-CG 3.22Å; E819-L823 PolarHBondContact O-N 2.97Å; L821-L823 VanDerWaalsContact C-N 3.28Å; L821-L823 PolarHBondContact O-N 3.14Å; L823-S827 VanDerWaalsContact O-CB 3.24Å; L823-S827 WeakPolarHBondContact O-CB 3.43Å; L823-S827 PolarHBondContact O-N 3.07Å
824	L	88.7	Confident	89.6	Confident	95 Å²	95	111.9 Å²	111.9	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-68.2	-36.5	174.4	-74.2	170.3	0	0	0	112.4	Q820 L821 S827 R828	Q820-L824 VanDerWaalsContact O-CG 3.3Å; Q820-L824 WeakPolarHBondContact O-CG 3.19Å; Q820-L824 PolarHBondContact O-N 2.8Å; L821-L824 WeakPolarHBondContact O-CB 3.26Å; L821-L824 PolarHBondContact O-N 3Å; L821-L824 VanDerWaalsContact O-N 3.08Å; L824-S827 CarbonylContact O-C 3.58Å; L824-S827 WeakPolarHBondContact O-CB 3.2Å; L824-S827 PolarHBondContact O-N 3.13Å; L824-R828 WeakPolarHBondContact O-CG 3.41Å; L824-R828 PolarHBondContact O-N 2.9Å
825	D	88.7	Confident	89.5	Confident	60 Å²	60	109.9 Å²	109.9	32%	0.321	53%	0.527	S	S	.	.	H	α-helix	trans	-74	-44.5	178.5	-67	-32.7	0	0	0	111.4	L821 M822 S827 R828 E829	L821-D825 PolarHBondContact O-N 2.87Å; M822-D825 PolarHBondContact O-N 3.31Å; D825-S827 PolarHBondContact O-N 3.29Å; D825-R828 WeakPolarHBondContact O-CA 3.19Å; D825-R828 WeakPolarHBondContact O-CB 3.41Å; D825-R828 PolarHBondContact O-N 2.87Å; D825-R828 WeakPolarHBondContact OD1-CD 3.3Å; D825-R828 IonicContact OD1-CZ 3.18Å; D825-R828 IonicContact OD1-NE 3.94Å; D825-R828 IonicContact OD1-NH1 2.66Å; D825-R828 PolarHBondContact OD1-NH1 3.09Å; D825-E829 WeakPolarHBondContact O-CG 3.38Å; D825-E829 PolarHBondContact O-N 3.19Å
826	K	92.7	Very high	89.5	Confident	145 Å²	145	104.9 Å²	104.9	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-56.6	-35	168.2	-173.6	174.1	-177.9	177	0	112.5	M822 A830	M822-K826 VanDerWaalsContact O-CB 3.31Å; M822-K826 WeakPolarHBondContact O-CB 3.41Å; M822-K826 PolarHBondContact O-N 2.96Å; K826-A830 WeakPolarHBondContact O-CB 3.37Å; K826-A830 PolarHBondContact O-N 3.44Å; K826-A830 VanDerWaalsContact O-N 3.11Å
827	S	88	Confident	89.5	Confident	54 Å²	54	101.9 Å²	101.9	38%	0.378	51%	0.507	S	S	.	.	H	α-helix	trans	-71.7	-25.7	173	179.7	0	0	0	0	113.2	L823 L824 D825 R831	L823-S827 VanDerWaalsContact O-CB 3.24Å; L823-S827 WeakPolarHBondContact O-CB 3.43Å; L823-S827 PolarHBondContact O-N 3.07Å; L824-S827 CarbonylContact O-C 3.58Å; L824-S827 WeakPolarHBondContact O-CB 3.2Å; L824-S827 PolarHBondContact O-N 3.13Å; D825-S827 PolarHBondContact O-N 3.29Å; S827-R831 PolarHBondContact O-NE 2.84Å; S827-R831 PolarHBondContact O-NH2 2.56Å; S827-R831 PolarHBondContact OG-NH2 2.89Å; S827-R831 VanDerWaalsContact OG-NH2 3.13Å
828	R	87.2	Confident	89.5	Confident	131 Å²	131	97 Å²	97	49%	0.494	49%	0.489	S	S	.	.	H	α-helix	trans	-75	-52.1	171.7	-73.6	160.8	167.5	165	-7.2	110.5	L824 D825 A830 R831 E832	L824-R828 WeakPolarHBondContact O-CG 3.41Å; L824-R828 PolarHBondContact O-N 2.9Å; D825-R828 WeakPolarHBondContact O-CA 3.19Å; D825-R828 WeakPolarHBondContact O-CB 3.41Å; D825-R828 PolarHBondContact O-N 2.87Å; D825-R828 WeakPolarHBondContact OD1-CD 3.3Å; D825-R828 IonicContact OD1-CZ 3.18Å; D825-R828 IonicContact OD1-NE 3.94Å; D825-R828 IonicContact OD1-NH1 2.66Å; D825-R828 PolarHBondContact OD1-NH1 3.09Å; R828-A830 VanDerWaalsContact C-N 3.3Å; R828-A830 PolarHBondContact O-N 3.33Å; R828-R831 CarbonylContact O-C 3.5Å; R828-R831 WeakPolarHBondContact O-CA 3.34Å; R828-R831 WeakPolarHBondContact O-CB 3.48Å; R828-R831 PolarHBondContact O-N 3.31Å; R828-E832 PolarHBondContact O-N 3.24Å
829	E	89.2	Confident	89.6	Confident	122 Å²	122	95 Å²	95	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-50.4	-47.8	176.7	-68.2	164.9	-178.3	0	0	111.8	D825 R831 E832 S833	D825-E829 WeakPolarHBondContact O-CG 3.38Å; D825-E829 PolarHBondContact O-N 3.19Å; E829-R831 VanDerWaalsContact C-N 3.32Å; E829-R831 PolarHBondContact O-N 2.83Å; E829-E832 PolarHBondContact O-N 2.98Å; E829-S833 WeakPolarHBondContact O-CB 3.44Å; E829-S833 PolarHBondContact O-N 3.1Å
830	A	88.8	Confident	89.7	Confident	59 Å²	59	95 Å²	95	49%	0.488	48%	0.48	S	S	.	.	H	α-helix	trans	-61.7	-35.9	177	0	0	0	0	0	113.5	K826 R828 V834	K826-A830 WeakPolarHBondContact O-CB 3.37Å; K826-A830 PolarHBondContact O-N 3.44Å; K826-A830 VanDerWaalsContact O-N 3.11Å; R828-A830 VanDerWaalsContact C-N 3.3Å; R828-A830 PolarHBondContact O-N 3.33Å; A830-V834 WeakPolarHBondContact O-CG2 3.41Å; A830-V834 PolarHBondContact O-N 2.9Å
831	R	84.7	Confident	89.8	Confident	131 Å²	131	95.4 Å²	95.4	49%	0.494	48%	0.476	S	S	.	.	H	α-helix	trans	-75	-36.2	175.6	-77.8	175.3	-71.7	-172	-5.8	111.9	S827 R828 E829 V834 I835	S827-R831 PolarHBondContact O-NE 2.84Å; S827-R831 PolarHBondContact O-NH2 2.56Å; S827-R831 PolarHBondContact OG-NH2 2.89Å; S827-R831 VanDerWaalsContact OG-NH2 3.13Å; R828-R831 CarbonylContact O-C 3.5Å; R828-R831 WeakPolarHBondContact O-CA 3.34Å; R828-R831 WeakPolarHBondContact O-CB 3.48Å; R828-R831 PolarHBondContact O-N 3.31Å; E829-R831 VanDerWaalsContact C-N 3.32Å; E829-R831 PolarHBondContact O-N 2.83Å; R831-V834 PolarHBondContact O-N 3.38Å; R831-I835 VanDerWaalsContact O-CD1 3.3Å; R831-I835 WeakPolarHBondContact O-CD1 3.22Å; R831-I835 WeakPolarHBondContact O-CG1 3.4Å; R831-I835 PolarHBondContact O-N 2.8Å; R831-I835 VanDerWaalsContact O-N 3.1Å
832	E	87.5	Confident	90.1	Very high	121 Å²	121	92.1 Å²	92.1	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-68.7	-39.9	177.7	-74	164.5	-162.8	0	0	111.2	R828 E829 V834 I835 E836	R828-E832 PolarHBondContact O-N 3.24Å; E829-E832 PolarHBondContact O-N 2.98Å; E832-V834 PolarHBondContact O-N 3.33Å; E832-I835 PolarHBondContact O-N 2.86Å; E832-E836 WeakPolarHBondContact O-CB 3.12Å; E832-E836 PolarHBondContact O-N 2.95Å
833	S	92.4	Very high	90.2	Very high	81 Å²	81	90.3 Å²	90.3	57%	0.566	45%	0.454	S	S	*	.	H	α-helix	trans	-57.4	-45.5	171.2	179.3	0	0	0	0	112.9	E829 E836 A837	E829-S833 WeakPolarHBondContact O-CB 3.44Å; E829-S833 PolarHBondContact O-N 3.1Å; S833-E836 PolarHBondContact O-N 3.19Å; S833-A837 WeakPolarHBondContact O-CB 3.2Å; S833-A837 PolarHBondContact O-N 2.86Å
834	V	89.7	Confident	90.4	Very high	99 Å²	99	91.7 Å²	91.7	60%	0.6	46%	0.456	S	S	*	.	H	α-helix	trans	-64.5	-40.9	176.8	170.8	0	0	0	0	112	A830 R831 E832 E836 R838	A830-V834 WeakPolarHBondContact O-CG2 3.41Å; A830-V834 PolarHBondContact O-N 2.9Å; R831-V834 PolarHBondContact O-N 3.38Å; E832-V834 PolarHBondContact O-N 3.33Å; V834-E836 VanDerWaalsContact C-N 3.34Å; V834-R838 WeakPolarHBondContact O-CB 3.31Å; V834-R838 PolarHBondContact O-N 2.99Å; V834-R838 VanDerWaalsContact O-N 3.08Å
835	I	87.5	Confident	90.8	Very high	53 Å²	53	87.5 Å²	87.5	27%	0.272	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-42.3	175.3	-64.5	158.8	0	0	0	110.5	R831 E832 R838 K839	R831-I835 VanDerWaalsContact O-CD1 3.3Å; R831-I835 WeakPolarHBondContact O-CD1 3.22Å; R831-I835 WeakPolarHBondContact O-CG1 3.4Å; R831-I835 PolarHBondContact O-N 2.8Å; R831-I835 VanDerWaalsContact O-N 3.1Å; E832-I835 PolarHBondContact O-N 2.86Å; I835-R838 WeakPolarHBondContact O-CB 3.29Å; I835-R838 PolarHBondContact O-N 3.14Å; I835-K839 WeakPolarHBondContact O-CG 3.38Å; I835-K839 PolarHBondContact O-N 2.79Å
836	E	90.4	Very high	91.1	Very high	79 Å²	79	90.1 Å²	90.1	37%	0.369	44%	0.442	S	S	.	.	H	α-helix	trans	-71.2	-43.3	-176.2	-164	53.4	-135.3	0	0	111.8	E832 S833 V834 R838 K839 Q840	E832-E836 WeakPolarHBondContact O-CB 3.12Å; E832-E836 PolarHBondContact O-N 2.95Å; S833-E836 PolarHBondContact O-N 3.19Å; V834-E836 VanDerWaalsContact C-N 3.34Å; E836-R838 PolarHBondContact O-N 2.81Å; E836-K839 PolarHBondContact O-N 3.43Å; E836-K839 WeakPolarHBondContact OE2-CD 3.34Å; E836-K839 WeakPolarHBondContact OE2-CE 3.41Å; E836-K839 IonicContact OE2-NZ 3.9Å; E836-K839 PolarHBondContact OE2-NZ 2.8Å; E836-Q840 VanDerWaalsContact O-CG 3.31Å; E836-Q840 WeakPolarHBondContact O-CG 3.34Å; E836-Q840 PolarHBondContact O-N 2.86Å
837	A	91.1	Very high	91.2	Very high	57 Å²	57	88.1 Å²	88.1	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-57.8	-36.3	170.6	0	0	0	0	0	112.1	S833 Q840 R841	S833-A837 WeakPolarHBondContact O-CB 3.2Å; S833-A837 PolarHBondContact O-N 2.86Å; A837-Q840 PolarHBondContact O-N 3.14Å; A837-R841 PolarHBondContact O-N 3.31Å; A837-R841 VanDerWaalsContact O-N 3.08Å
838	R	89.6	Confident	91.5	Very high	63 Å²	63	88.2 Å²	88.2	24%	0.238	43%	0.434	C	S	.	.	H	α-helix	trans	-65.3	-46.9	174.8	-170.7	-178.9	-169.3	106.4	35	112.2	V834 I835 E836 Q840 R841 I842 T895 A898 D902	V834-R838 WeakPolarHBondContact O-CB 3.31Å; V834-R838 PolarHBondContact O-N 2.99Å; V834-R838 VanDerWaalsContact O-N 3.08Å; I835-R838 WeakPolarHBondContact O-CB 3.29Å; I835-R838 PolarHBondContact O-N 3.14Å; E836-R838 PolarHBondContact O-N 2.81Å; R838-Q840 VanDerWaalsContact C-N 3.34Å; R838-Q840 PolarHBondContact O-N 3.37Å; R838-R841 PolarHBondContact O-N 3.29Å; R838-I842 HydrophobicContact CG-CD1 4.4Å; R838-I842 WeakPolarHBondContact O-CG1 3.39Å; R838-I842 PolarHBondContact O-N 2.68Å; R838-I842 VanDerWaalsContact O-N 3.16Å; R838-T895 PolarHBondContact NH2-O 2.58Å; R838-A898 VanDerWaalsContact CZ-C 3.43Å; R838-A898 PolarHBondContact NH1-O 3.44Å; R838-A898 PolarHBondContact NH2-O 3.33Å; R838-D902 IonicContact CZ-OD2 3.7Å; R838-D902 IonicContact NH1-OD2 3.34Å; R838-D902 PolarHBondContact NH1-OD2 2.95Å
839	K	91.3	Very high	91.9	Very high	97 Å²	97	83.9 Å²	83.9	42%	0.422	42%	0.42	S	S	.	.	H	α-helix	trans	-58.5	-45.1	173.8	-67.8	-179	-157.8	153.3	0	111.7	I835 E836 R841 I842 T843	I835-K839 WeakPolarHBondContact O-CG 3.38Å; I835-K839 PolarHBondContact O-N 2.79Å; E836-K839 PolarHBondContact O-N 3.43Å; E836-K839 WeakPolarHBondContact OE2-CD 3.34Å; E836-K839 WeakPolarHBondContact OE2-CE 3.41Å; E836-K839 IonicContact OE2-NZ 3.9Å; E836-K839 PolarHBondContact OE2-NZ 2.8Å; K839-R841 VanDerWaalsContact C-N 3.28Å; K839-R841 PolarHBondContact O-N 3.4Å; K839-I842 PolarHBondContact O-N 3.44Å; K839-T843 PolarHBondContact O-N 3.49Å; K839-T843 PolarHBondContact O-OG1 2.8Å
840	Q	94.4	Very high	92.1	Very high	116 Å²	116	83.8 Å²	83.8	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-33.8	179.8	-70.8	174	12.2	0	0	112.5	E836 A837 R838 T843 K844	E836-Q840 VanDerWaalsContact O-CG 3.31Å; E836-Q840 WeakPolarHBondContact O-CG 3.34Å; E836-Q840 PolarHBondContact O-N 2.86Å; A837-Q840 PolarHBondContact O-N 3.14Å; R838-Q840 VanDerWaalsContact C-N 3.34Å; R838-Q840 PolarHBondContact O-N 3.37Å; Q840-T843 PolarHBondContact O-OG1 3.36Å; Q840-K844 VanDerWaalsContact O-CB 3.23Å; Q840-K844 WeakPolarHBondContact O-CB 2.92Å; Q840-K844 PolarHBondContact O-N 3.11Å
841	R	93.2	Very high	92.3	Very high	132 Å²	132	88.4 Å²	88.4	50%	0.498	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-44.5	169.9	-172.6	177	-179.1	179.9	1.5	111.7	A837 R838 K839 K844 L845 E891 T895	A837-R841 PolarHBondContact O-N 3.31Å; A837-R841 VanDerWaalsContact O-N 3.08Å; R838-R841 PolarHBondContact O-N 3.29Å; K839-R841 VanDerWaalsContact C-N 3.28Å; K839-R841 PolarHBondContact O-N 3.4Å; R841-K844 PolarHBondContact O-N 3.47Å; R841-L845 HydrophobicContact CG-CD1 4.05Å; R841-L845 HydrophobicContact CG-CG 4.49Å; R841-L845 WeakPolarHBondContact O-CB 3.13Å; R841-L845 WeakPolarHBondContact O-CG 3.15Å; R841-L845 PolarHBondContact O-N 2.87Å; R841-E891 IonicContact CZ-OE1 3.55Å; R841-E891 IonicContact NE-OE1 2.8Å; R841-E891 PolarHBondContact NE-OE1 3.01Å; R841-E891 VanDerWaalsContact NE-OE1 3.14Å; R841-E891 IonicContact NH2-OE1 2.81Å; R841-E891 PolarHBondContact NH2-OE1 3.1Å; R841-T895 HydrophobicContact CG-CG2 4.34Å
842	I	94.3	Very high	92.7	Very high	13 Å²	13	82.5 Å²	82.5	7%	0.067	40%	0.403	C	S	.	.	H	α-helix	trans	-64.5	-43.9	-179.9	-66.4	163.6	0	0	0	111.3	R838 K839 L845 K846 L896 E899	R838-I842 HydrophobicContact CG-CD1 4.4Å; R838-I842 WeakPolarHBondContact O-CG1 3.39Å; R838-I842 PolarHBondContact O-N 2.68Å; R838-I842 VanDerWaalsContact O-N 3.16Å; K839-I842 PolarHBondContact O-N 3.44Å; I842-L845 PolarHBondContact O-N 3.4Å; I842-K846 WeakPolarHBondContact O-CG 3.14Å; I842-K846 PolarHBondContact O-N 3.44Å; I842-L896 HydrophobicContact CD1-CD2 4.15Å; I842-L896 HydrophobicContact CG2-CD2 4.26Å; I842-E899 WeakPolarHBondContact CD1-OE2 3.33Å
843	T	94.3	Very high	92.9	Very high	78 Å²	78	80.5 Å²	80.5	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-41.2	176.6	55.7	0	0	0	0	111.8	K839 Q840 L845 K846 L847	K839-T843 PolarHBondContact O-N 3.49Å; K839-T843 PolarHBondContact O-OG1 2.8Å; Q840-T843 PolarHBondContact O-OG1 3.36Å; T843-L845 PolarHBondContact O-N 3.26Å; T843-K846 PolarHBondContact O-N 3.12Å; T843-L847 WeakPolarHBondContact O-CG 2.96Å; T843-L847 PolarHBondContact O-N 3.41Å
844	K	95.8	Very high	92.7	Very high	139 Å²	139	79 Å²	79	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-59.5	-43.7	173.7	-175.9	177.2	179.7	-179.9	0	112.3	Q840 R841 L848	Q840-K844 VanDerWaalsContact O-CB 3.23Å; Q840-K844 WeakPolarHBondContact O-CB 2.92Å; Q840-K844 PolarHBondContact O-N 3.11Å; R841-K844 PolarHBondContact O-N 3.47Å; K844-L848 HydrophobicContact CG-CD1 4.2Å; K844-L848 VanDerWaalsContact O-CG 3.3Å; K844-L848 WeakPolarHBondContact O-CG 3.46Å; K844-L848 PolarHBondContact O-N 3.42Å; K844-L848 VanDerWaalsContact O-N 3.08Å
845	L	95.5	Very high	92.6	Very high	7 Å²	7	78.4 Å²	78.4	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-39.6	177.7	-73.4	170.8	0	0	0	112.4	R841 I842 T843 L848 L849 L888 E891 L892 T895	R841-L845 HydrophobicContact CG-CD1 4.05Å; R841-L845 HydrophobicContact CG-CG 4.49Å; R841-L845 WeakPolarHBondContact O-CB 3.13Å; R841-L845 WeakPolarHBondContact O-CG 3.15Å; R841-L845 PolarHBondContact O-N 2.87Å; I842-L845 PolarHBondContact O-N 3.4Å; T843-L845 PolarHBondContact O-N 3.26Å; L845-L848 PolarHBondContact O-N 2.89Å; L845-L849 WeakPolarHBondContact O-CB 3.41Å; L845-L849 PolarHBondContact O-N 2.66Å; L845-L888 HydrophobicContact CD2-CD2 3.95Å; L845-E891 HydrophobicContact CD1-CB 4.32Å; L845-E891 HydrophobicContact CD1-CG 3.88Å; L845-E891 HydrophobicContact CD2-CB 4.28Å; L845-E891 HydrophobicContact CD2-CG 4.18Å; L845-L892 HydrophobicContact CB-CB 4.4Å; L845-L892 HydrophobicContact CB-CD1 4.2Å; L845-T895 HydrophobicContact CD1-CG2 3.97Å
846	K	95.4	Very high	92.6	Very high	115 Å²	115	76.7 Å²	76.7	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-51.5	173.5	-74.4	-178.5	178.3	-173.5	0	111.9	I842 T843 L848 L849 E850 L892	I842-K846 WeakPolarHBondContact O-CG 3.14Å; I842-K846 PolarHBondContact O-N 3.44Å; T843-K846 PolarHBondContact O-N 3.12Å; K846-L848 VanDerWaalsContact C-N 3.28Å; K846-L848 PolarHBondContact O-N 2.88Å; K846-L849 PolarHBondContact O-N 3.25Å; K846-E850 WeakPolarHBondContact O-CB 3.21Å; K846-E850 PolarHBondContact O-N 3.01Å; K846-L892 HydrophobicContact CB-CD1 4.5Å; K846-L892 HydrophobicContact CG-CD1 3.52Å
847	L	94.9	Very high	92.2	Very high	103 Å²	103	77.8 Å²	77.8	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-30.5	-179.3	-69.3	168.7	0	0	0	113.3	T843 R851	T843-L847 WeakPolarHBondContact O-CG 2.96Å; T843-L847 PolarHBondContact O-N 3.41Å; L847-R851 WeakPolarHBondContact O-CB 3.11Å; L847-R851 PolarHBondContact O-N 3Å
848	L	94.8	Very high	91.1	Very high	57 Å²	57	80.4 Å²	80.4	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-72	-45.2	172.6	-72.6	171.4	0	0	0	111.7	K844 L845 K846 R851 V852 L888	K844-L848 HydrophobicContact CG-CD1 4.2Å; K844-L848 VanDerWaalsContact O-CG 3.3Å; K844-L848 WeakPolarHBondContact O-CG 3.46Å; K844-L848 PolarHBondContact O-N 3.42Å; K844-L848 VanDerWaalsContact O-N 3.08Å; L845-L848 PolarHBondContact O-N 2.89Å; K846-L848 VanDerWaalsContact C-N 3.28Å; K846-L848 PolarHBondContact O-N 2.88Å; L848-R851 PolarHBondContact O-N 3.48Å; L848-V852 WeakPolarHBondContact O-CG2 3.34Å; L848-V852 PolarHBondContact O-N 3.48Å; L848-V852 VanDerWaalsContact O-N 3.09Å; L848-L888 HydrophobicContact CB-CD1 4.01Å; L848-L888 HydrophobicContact CB-CD2 3.99Å; L848-L888 HydrophobicContact CD1-CD2 4.27Å
849	L	95.3	Very high	89.6	Confident	39 Å²	39	80 Å²	80	20%	0.204	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-45.2	178.2	179.9	60.7	0	0	0	111.4	L845 K846 R851 V852 M853 A885 L888	L845-L849 WeakPolarHBondContact O-CB 3.41Å; L845-L849 PolarHBondContact O-N 2.66Å; K846-L849 PolarHBondContact O-N 3.25Å; L849-R851 PolarHBondContact O-N 3.39Å; L849-V852 PolarHBondContact O-N 3.25Å; L849-M853 HydrophobicContact CD1-CG 4.42Å; L849-M853 WeakPolarHBondContact O-CG 3.39Å; L849-M853 PolarHBondContact O-N 2.88Å; L849-A885 HydrophobicContact CD1-CB 4.11Å; L849-L888 HydrophobicContact CB-CB 4.3Å; L849-L888 HydrophobicContact CD1-CB 4.19Å
850	E	93.7	Very high	87.9	Confident	120 Å²	120	84.6 Å²	84.6	56%	0.561	40%	0.395	S	S	*	.	H	α-helix	trans	-55.4	-48.7	175.2	-175.6	173.6	-163.6	0	0	111.5	K846 V852 M853 S854	K846-E850 WeakPolarHBondContact O-CB 3.21Å; K846-E850 PolarHBondContact O-N 3.01Å; E850-V852 PolarHBondContact O-N 3.1Å; E850-M853 PolarHBondContact O-N 3.04Å; E850-S854 PolarHBondContact O-N 3.03Å; E850-S854 PolarHBondContact O-OG 2.84Å; E850-S854 VanDerWaalsContact O-OG 3.14Å
851	R	93	Very high	85.9	Confident	157 Å²	157	84.3 Å²	84.3	59%	0.592	40%	0.401	S	S	*	.	H	α-helix	trans	-58.9	-42.7	176.1	-178.9	178.7	-63.6	166.3	1.4	113.3	L847 L848 L849 M853 Q855	L847-R851 WeakPolarHBondContact O-CB 3.11Å; L847-R851 PolarHBondContact O-N 3Å; L848-R851 PolarHBondContact O-N 3.48Å; L849-R851 PolarHBondContact O-N 3.39Å; R851-M853 VanDerWaalsContact C-N 3.35Å; R851-Q855 WeakPolarHBondContact O-CG 2.97Å; R851-Q855 PolarHBondContact O-N 3.36Å
852	V	93	Very high	83.7	Confident	7 Å²	7	82.6 Å²	82.6	4%	0.042	41%	0.409	C	S	.	.	H	α-helix	trans	-68.9	-35.4	178.1	174	0	0	0	0	111	L848 L849 E850 Q855 L856 L881 E884 A885 L888	L848-V852 WeakPolarHBondContact O-CG2 3.34Å; L848-V852 PolarHBondContact O-N 3.48Å; L848-V852 VanDerWaalsContact O-N 3.09Å; L849-V852 PolarHBondContact O-N 3.25Å; E850-V852 PolarHBondContact O-N 3.1Å; V852-Q855 PolarHBondContact O-N 2.95Å; V852-L856 HydrophobicContact CG1-CD1 4.46Å; V852-L856 WeakPolarHBondContact O-CG 3.39Å; V852-L856 PolarHBondContact O-N 3.22Å; V852-L881 HydrophobicContact CG1-CB 4.13Å; V852-L881 HydrophobicContact CG1-CD2 4.28Å; V852-L881 WeakPolarHBondContact CG1-O 3.4Å; V852-E884 HydrophobicContact CG2-CG 4.21Å; V852-A885 HydrophobicContact CG1-CB 3.88Å; V852-L888 HydrophobicContact CG2-CD1 3.96Å
853	M	90.9	Very high	81.5	Confident	78 Å²	78	91.2 Å²	91.2	38%	0.384	45%	0.449	S	S	.	.	H	α-helix	trans	-65.9	-45.1	174	-71	-60.4	-61.2	0	0	112	L849 E850 R851 Q855 L856 E857	L849-M853 HydrophobicContact CD1-CG 4.42Å; L849-M853 WeakPolarHBondContact O-CG 3.39Å; L849-M853 PolarHBondContact O-N 2.88Å; E850-M853 PolarHBondContact O-N 3.04Å; R851-M853 VanDerWaalsContact C-N 3.35Å; M853-Q855 VanDerWaalsContact C-N 3.27Å; M853-Q855 PolarHBondContact O-N 3.29Å; M853-L856 WeakPolarHBondContact O-CA 3.29Å; M853-L856 WeakPolarHBondContact O-CB 3.48Å; M853-L856 PolarHBondContact O-N 3.23Å; M853-L856 HydrophobicContact SD-CD1 4.3Å; M853-E857 WeakPolarHBondContact O-CG 3.27Å; M853-E857 PolarHBondContact O-N 3.15Å
854	S	89.5	Confident	79.3	Confident	51 Å²	51	93.3 Å²	93.3	36%	0.357	46%	0.462	S	S	.	.	H	α-helix	trans	-59.2	-37.1	175.5	-51.3	0	0	0	0	112.7	E850 L856 E857 N858	E850-S854 PolarHBondContact O-N 3.03Å; E850-S854 PolarHBondContact O-OG 2.84Å; E850-S854 VanDerWaalsContact O-OG 3.14Å; S854-L856 VanDerWaalsContact C-N 3.26Å; S854-L856 PolarHBondContact O-N 2.92Å; S854-E857 PolarHBondContact O-N 3.41Å; S854-N858 VanDerWaalsContact O-CG 3.25Å; S854-N858 PolarHBondContact O-N 3.07Å; S854-N858 PolarHBondContact O-OD1 2.96Å
855	Q	87.2	Confident	76.7	Confident	86 Å²	86	93.9 Å²	93.9	40%	0.402	47%	0.472	S	S	.	.	H	α-helix	trans	-66.8	-23.7	174.2	-70.7	176.9	0.5	0	0	113.7	R851 V852 M853 L881	R851-Q855 WeakPolarHBondContact O-CG 2.97Å; R851-Q855 PolarHBondContact O-N 3.36Å; V852-Q855 PolarHBondContact O-N 2.95Å; M853-Q855 VanDerWaalsContact C-N 3.27Å; M853-Q855 PolarHBondContact O-N 3.29Å; Q855-L881 HydrophobicContact CB-CD1 3.6Å
856	L	86.7	Confident	74.2	Confident	16 Å²	16	101.1 Å²	101.1	8%	0.084	51%	0.511	C	S	.	.	H	α-helix	trans	-86.2	-22.5	173.9	-72	167.6	0	0	0	113.2	V852 M853 S854 R878 L881 L882	V852-L856 HydrophobicContact CG1-CD1 4.46Å; V852-L856 WeakPolarHBondContact O-CG 3.39Å; V852-L856 PolarHBondContact O-N 3.22Å; M853-L856 WeakPolarHBondContact O-CA 3.29Å; M853-L856 WeakPolarHBondContact O-CB 3.48Å; M853-L856 PolarHBondContact O-N 3.23Å; M853-L856 HydrophobicContact SD-CD1 4.3Å; S854-L856 VanDerWaalsContact C-N 3.26Å; S854-L856 PolarHBondContact O-N 2.92Å; L856-R878 HydrophobicContact CD2-CG 3.82Å; L856-L881 HydrophobicContact CD1-CB 4.33Å; L856-L881 HydrophobicContact CD2-CB 3.82Å; L856-L881 HydrophobicContact CD2-CD1 4.29Å; L856-L881 HydrophobicContact CG-CB 4.04Å; L856-L881 HydrophobicContact CG-CD1 4.31Å; L856-L882 HydrophobicContact CD1-CD2 3.81Å; L856-L882 HydrophobicContact CD1-CG 4.23Å; L856-L882 HydrophobicContact CD2-CD2 4.29Å; L856-L882 HydrophobicContact CD2-CG 4.01Å
857	E	82.4	Confident	71.7	Confident	102 Å²	102	99.3 Å²	99.3	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-91.4	-38.7	-177	-73.1	177.4	167.7	0	0	113.4	M853 S854 N859 R860	M853-E857 WeakPolarHBondContact O-CG 3.27Å; M853-E857 PolarHBondContact O-N 3.15Å; S854-E857 PolarHBondContact O-N 3.41Å; E857-N859 PolarHBondContact O-N 3.16Å; E857-R860 WeakPolarHBondContact O-CB 3.38Å; E857-R860 PolarHBondContact O-N 2.93Å
858	N	68.3	Low	69.7	Low	113 Å²	113	100 Å²	100	60%	0.604	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.6	-177.8	-74.2	-4.1	0	0	0	114.5	S854	S854-N858 VanDerWaalsContact O-CG 3.25Å; S854-N858 PolarHBondContact O-N 3.07Å; S854-N858 PolarHBondContact O-OD1 2.96Å
859	N	57.6	Low	67.6	Low	55 Å²	55	105.4 Å²	105.4	29%	0.294	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	20.4	177	-66	7.7	0	0	0	113.4	E857 L873	E857-N859 PolarHBondContact O-N 3.16Å; N859-L873 WeakPolarHBondContact ND2-CB 3.35Å; N859-L873 WeakPolarHBondContact ND2-CD1 3.32Å; N859-L873 PolarHBondContact ND2-N 2.73Å
860	R	56.2	Low	65.8	Low	192 Å²	192	107.7 Å²	107.7	73%	0.725	58%	0.582	S	S	*	*	S	Bend	trans	-108.6	-4.3	172.8	-78.9	-177.6	152.8	175.9	-3.9	114	E857	E857-R860 WeakPolarHBondContact O-CB 3.38Å; E857-R860 PolarHBondContact O-N 2.93Å
861	T	52.1	Low	64.4	Low	110 Å²	110	110.9 Å²	110.9	68%	0.675	59%	0.594	S	S	*	*	S	Bend	trans	-119.7	3.2	-167.9	46.2	0	0	0	0	114.3	E863	T861-E863 PolarHBondContact O-N 2.99Å
862	S	48.1	Very low	63.2	Low	96 Å²	96	108.6 Å²	108.6	67%	0.671	60%	0.599	S	S	*	*			trans	-95.1	57.4	-175.8	65	0	0	0	0	113.4
863	E	47.1	Very low	62.3	Low	194 Å²	194	111.2 Å²	111.2	91%	0.907	61%	0.613	S	S	*	*	S	Bend	trans	-114.9	8.1	169.9	-71.3	-164	156.4	0	0	113.3	T861	T861-E863 PolarHBondContact O-N 2.99Å
864	T	48.6	Very low	61.9	Low	122 Å²	122	111.1 Å²	111.1	75%	0.748	62%	0.617	S	S	*	*	S	Bend	trans	-130.9	143.2	175.2	51.4	0	0	0	0	111.8	N866	T864-N866 PolarHBondContact O-N 3.06Å
865	D	40.9	Very low	61.6	Low	152 Å²	152	114.3 Å²	114.3	81%	0.813	63%	0.629	S	S	*	*			trans	-43.2	122.6	-171.1	-58.9	-59.3	0	0	0	115.7
866	N	43.3	Very low	61.6	Low	158 Å²	158	114.2 Å²	114.2	85%	0.845	63%	0.632	S	S	*	*				177.4	154.1	107.4	-94.8	-77.4	0	0	0	111.3	T864 T868	T864-N866 PolarHBondContact O-N 3.06Å; N866-T868 PolarHBondContact O-N 3.2Å
867	G	42.9	Very low	61.7	Low	78 Å²	78	117.7 Å²	117.7	80%	0.804	65%	0.647	S	S	*	*			trans	-77.7	116.8	-165.7	0	0	0	0	0	116
868	T	51.5	Low	62	Low	116 Å²	116	117.7 Å²	117.7	71%	0.712	64%	0.643	S	S	*	*			trans	-141.1	140.9	151.3	52.8	0	0	0	0	109.3	N866 S870	N866-T868 PolarHBondContact O-N 3.2Å; T868-S870 PolarHBondContact O-N 2.77Å
869	D	50.8	Low	63	Low	172 Å²	172	119.4 Å²	119.4	92%	0.92	64%	0.641	S	S	*	*			trans	-77.2	43.8	-168.8	-62.8	-70.2	0	0	0	115.4	K871	D869-K871 PolarHBondContact O-N 2.73Å
870	S	57.8	Low	64.7	Low	86 Å²	86	123.5 Å²	123.5	60%	0.601	66%	0.656	S	S	*	*			trans	-70.7	97.4	169.9	57.1	0	0	0	0	110.2	T868	T868-S870 PolarHBondContact O-N 2.77Å
871	K	65.4	Low	66.5	Low	187 Å²	187	115.3 Å²	115.3	81%	0.813	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-51.4	130.5	171.1	-78.2	-177.7	176.7	176.3	0	110	D869 L873	D869-K871 PolarHBondContact O-N 2.73Å; K871-L873 PolarHBondContact O-N 3.41Å
872	P	67.9	Low	68.4	Low	109 Å²	109	114.1 Å²	114.1	71%	0.708	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-61.9	132.9	173.7	26.7	-33.8	0	0	0	109	T874	P872-T874 PolarHBondContact O-N 3.16Å
873	L	72.5	Confident	70.5	Confident	62 Å²	62	114.1 Å²	114.1	33%	0.325	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-54.3	128.6	177.9	-100.2	75.2	0	0	0	109.4	N859 K871 E877 L881	N859-L873 WeakPolarHBondContact ND2-CB 3.35Å; N859-L873 WeakPolarHBondContact ND2-CD1 3.32Å; N859-L873 PolarHBondContact ND2-N 2.73Å; K871-L873 PolarHBondContact O-N 3.41Å; L873-E877 HydrophobicContact CB-CB 4.34Å; L873-E877 HydrophobicContact CD2-CB 4.05Å; L873-E877 HydrophobicContact CG-CB 4.04Å; L873-L881 HydrophobicContact CD2-CD1 3.49Å; L873-L881 VanDerWaalsContact CD2-CD1 3.49Å; L873-L881 HydrophobicContact CD2-CG 4.37Å
874	T	82.8	Confident	72.7	Confident	76 Å²	76	109.2 Å²	109.2	47%	0.466	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-59.8	154.9	172.4	62.6	0	0	0	0	110.2	P872 D876 E877 R878	P872-T874 PolarHBondContact O-N 3.16Å; T874-D876 PolarHBondContact O-N 3.14Å; T874-D876 VanDerWaalsContact O-N 3.13Å; T874-E877 VanDerWaalsContact CB-OE2 3.31Å; T874-E877 WeakPolarHBondContact CB-OE2 3.26Å; T874-E877 WeakPolarHBondContact CG2-OE2 3.33Å; T874-E877 PolarHBondContact N-OE2 3.03Å; T874-E877 PolarHBondContact O-N 2.95Å; T874-E877 VanDerWaalsContact O-N 3.1Å; T874-E877 WeakPolarHBondContact OG1-CB 3.05Å; T874-E877 VanDerWaalsContact OG1-CG 3.23Å; T874-E877 WeakPolarHBondContact OG1-CG 3.48Å; T874-E877 PolarHBondContact OG1-N 2.87Å; T874-E877 PolarHBondContact OG1-OE2 3.35Å; T874-R878 PolarHBondContact O-N 3.44Å
875	L	83.2	Confident	74.9	Confident	118 Å²	118	103.8 Å²	103.8	62%	0.618	56%	0.557	S	S	*	*	H	α-helix	trans	-57.3	-32.5	-179.4	-165.5	151.4	0	0	0	111.6	R879	L875-R879 HydrophobicContact CD2-CG 4.33Å; L875-R879 VanDerWaalsContact CD2-NE 3.32Å; L875-R879 WeakPolarHBondContact O-CG 3.32Å; L875-R879 PolarHBondContact O-N 3.29Å
876	D	87.6	Confident	77.5	Confident	85 Å²	85	103.1 Å²	103.1	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-80.8	-31.3	177.4	-65.2	-39.2	0	0	0	114	T874 R879 K880	T874-D876 PolarHBondContact O-N 3.14Å; T874-D876 VanDerWaalsContact O-N 3.13Å; D876-R879 PolarHBondContact O-N 3.3Å; D876-R879 WeakPolarHBondContact OD1-CD 3.32Å; D876-R879 IonicContact OD1-CZ 3.6Å; D876-R879 IonicContact OD1-NH1 2.88Å; D876-R879 PolarHBondContact OD1-NH1 3.5Å; D876-K880 VanDerWaalsContact O-CG 3.24Å; D876-K880 WeakPolarHBondContact O-CG 3.29Å; D876-K880 PolarHBondContact O-N 2.87Å
877	E	88.3	Confident	80	Confident	88 Å²	88	104.3 Å²	104.3	41%	0.411	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-43	166.8	-73.9	159.2	148.9	0	0	110.9	L873 T874 R879 K880 L881	L873-E877 HydrophobicContact CB-CB 4.34Å; L873-E877 HydrophobicContact CD2-CB 4.05Å; L873-E877 HydrophobicContact CG-CB 4.04Å; T874-E877 VanDerWaalsContact CB-OE2 3.31Å; T874-E877 WeakPolarHBondContact CB-OE2 3.26Å; T874-E877 WeakPolarHBondContact CG2-OE2 3.33Å; T874-E877 PolarHBondContact N-OE2 3.03Å; T874-E877 PolarHBondContact O-N 2.95Å; T874-E877 VanDerWaalsContact O-N 3.1Å; T874-E877 WeakPolarHBondContact OG1-CB 3.05Å; T874-E877 VanDerWaalsContact OG1-CG 3.23Å; T874-E877 WeakPolarHBondContact OG1-CG 3.48Å; T874-E877 PolarHBondContact OG1-N 2.87Å; T874-E877 PolarHBondContact OG1-OE2 3.35Å; E877-R879 VanDerWaalsContact C-N 3.33Å; E877-R879 PolarHBondContact O-N 3.23Å; E877-K880 WeakPolarHBondContact O-CB 3.32Å; E877-K880 PolarHBondContact O-N 3.48Å; E877-K880 VanDerWaalsContact O-N 3.16Å; E877-L881 PolarHBondContact O-N 3.28Å
878	R	89	Confident	82.5	Confident	103 Å²	103	101.2 Å²	101.2	39%	0.389	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-40.1	174.7	-163.8	-179.5	-166.6	159.7	12.7	112	L856 T874 L882	L856-R878 HydrophobicContact CD2-CG 3.82Å; T874-R878 PolarHBondContact O-N 3.44Å; R878-L882 HydrophobicContact CG-CD1 4.27Å; R878-L882 WeakPolarHBondContact O-CB 3.2Å; R878-L882 VanDerWaalsContact O-CG 3.27Å; R878-L882 WeakPolarHBondContact O-CG 3.49Å; R878-L882 PolarHBondContact O-N 2.95Å
879	R	90.2	Very high	84.5	Confident	148 Å²	148	100 Å²	100	56%	0.558	49%	0.49	S	S	*	.	H	α-helix	trans	-63.4	-41.2	172.7	-77.8	168.6	169.3	163.3	-4.2	112.5	L875 D876 E877 L882 T883	L875-R879 HydrophobicContact CD2-CG 4.33Å; L875-R879 VanDerWaalsContact CD2-NE 3.32Å; L875-R879 WeakPolarHBondContact O-CG 3.32Å; L875-R879 PolarHBondContact O-N 3.29Å; D876-R879 PolarHBondContact O-N 3.3Å; D876-R879 WeakPolarHBondContact OD1-CD 3.32Å; D876-R879 IonicContact OD1-CZ 3.6Å; D876-R879 IonicContact OD1-NH1 2.88Å; D876-R879 PolarHBondContact OD1-NH1 3.5Å; E877-R879 VanDerWaalsContact C-N 3.33Å; E877-R879 PolarHBondContact O-N 3.23Å; R879-L882 PolarHBondContact O-N 3.11Å; R879-T883 WeakPolarHBondContact O-CB 3.32Å; R879-T883 PolarHBondContact O-N 3.36Å; R879-T883 PolarHBondContact O-OG1 2.66Å
880	K	92.8	Very high	86.6	Confident	142 Å²	142	97.2 Å²	97.2	62%	0.617	47%	0.474	S	S	*	.	H	α-helix	trans	-61	-52.3	175.8	-72.5	163.9	-172.9	172.2	0	110.8	D876 E877 L882 T883 E884	D876-K880 VanDerWaalsContact O-CG 3.24Å; D876-K880 WeakPolarHBondContact O-CG 3.29Å; D876-K880 PolarHBondContact O-N 2.87Å; E877-K880 WeakPolarHBondContact O-CB 3.32Å; E877-K880 PolarHBondContact O-N 3.48Å; E877-K880 VanDerWaalsContact O-N 3.16Å; K880-L882 PolarHBondContact O-N 3.42Å; K880-T883 CarbonylContact O-C 3.45Å; K880-T883 WeakPolarHBondContact O-CA 3.43Å; K880-T883 WeakPolarHBondContact O-CB 3.48Å; K880-T883 PolarHBondContact O-N 3.43Å; K880-E884 PolarHBondContact O-N 3.09Å
881	L	93.2	Very high	88.3	Confident	19 Å²	19	95.7 Å²	95.7	10%	0.099	46%	0.458	C	S	.	.	H	α-helix	trans	-61	-40.5	177.7	-67.3	-172.6	0	0	0	113	V852 Q855 L856 L873 E877 T883 E884 A885	V852-L881 HydrophobicContact CG1-CB 4.13Å; V852-L881 HydrophobicContact CG1-CD2 4.28Å; V852-L881 WeakPolarHBondContact CG1-O 3.4Å; Q855-L881 HydrophobicContact CB-CD1 3.6Å; L856-L881 HydrophobicContact CD1-CB 4.33Å; L856-L881 HydrophobicContact CD2-CB 3.82Å; L856-L881 HydrophobicContact CD2-CD1 4.29Å; L856-L881 HydrophobicContact CG-CB 4.04Å; L856-L881 HydrophobicContact CG-CD1 4.31Å; L873-L881 HydrophobicContact CD2-CD1 3.49Å; L873-L881 VanDerWaalsContact CD2-CD1 3.49Å; L873-L881 HydrophobicContact CD2-CG 4.37Å; E877-L881 PolarHBondContact O-N 3.28Å; L881-T883 PolarHBondContact O-N 3.09Å; L881-E884 PolarHBondContact O-N 3.49Å; L881-A885 WeakPolarHBondContact O-CB 3.1Å; L881-A885 PolarHBondContact O-N 2.99Å
882	L	92.1	Very high	89.7	Confident	85 Å²	85	87.9 Å²	87.9	45%	0.445	42%	0.424	S	S	.	.	H	α-helix	trans	-64.9	-26.4	174	-74.7	168.5	0	0	0	113.2	L856 R878 R879 K880 K886	L856-L882 HydrophobicContact CD1-CD2 3.81Å; L856-L882 HydrophobicContact CD1-CG 4.23Å; L856-L882 HydrophobicContact CD2-CD2 4.29Å; L856-L882 HydrophobicContact CD2-CG 4.01Å; R878-L882 HydrophobicContact CG-CD1 4.27Å; R878-L882 WeakPolarHBondContact O-CB 3.2Å; R878-L882 VanDerWaalsContact O-CG 3.27Å; R878-L882 WeakPolarHBondContact O-CG 3.49Å; R878-L882 PolarHBondContact O-N 2.95Å; R879-L882 PolarHBondContact O-N 3.11Å; K880-L882 PolarHBondContact O-N 3.42Å; L882-K886 VanDerWaalsContact O-CG 3.31Å; L882-K886 WeakPolarHBondContact O-CG 3.11Å; L882-K886 PolarHBondContact O-N 2.87Å
883	T	93.1	Very high	90.9	Very high	96 Å²	96	87.4 Å²	87.4	59%	0.589	41%	0.413	S	S	*	.	H	α-helix	trans	-79.6	-39.1	174.6	-53.9	0	0	0	0	110.9	R879 K880 L881 K886 R887	R879-T883 WeakPolarHBondContact O-CB 3.32Å; R879-T883 PolarHBondContact O-N 3.36Å; R879-T883 PolarHBondContact O-OG1 2.66Å; K880-T883 CarbonylContact O-C 3.45Å; K880-T883 WeakPolarHBondContact O-CA 3.43Å; K880-T883 WeakPolarHBondContact O-CB 3.48Å; K880-T883 PolarHBondContact O-N 3.43Å; L881-T883 PolarHBondContact O-N 3.09Å; T883-K886 PolarHBondContact O-N 3.14Å; T883-R887 PolarHBondContact O-N 3.43Å
884	E	93.4	Very high	91.9	Very high	91 Å²	91	88.2 Å²	88.2	43%	0.425	42%	0.424	S	S	.	.	H	α-helix	trans	-66	-45	175	-172.4	171.2	-179	0	0	112.1	V852 K880 L881 K886 R887 L888	V852-E884 HydrophobicContact CG2-CG 4.21Å; K880-E884 PolarHBondContact O-N 3.09Å; L881-E884 PolarHBondContact O-N 3.49Å; E884-K886 VanDerWaalsContact C-N 3.33Å; E884-K886 PolarHBondContact O-N 3.02Å; E884-R887 WeakPolarHBondContact O-CB 3.34Å; E884-R887 PolarHBondContact O-N 3.27Å; E884-R887 VanDerWaalsContact O-N 3.12Å; E884-L888 HydrophobicContact CG-CD1 4.05Å; E884-L888 HydrophobicContact CG-CG 4.47Å; E884-L888 WeakPolarHBondContact O-CG 3.41Å; E884-L888 PolarHBondContact O-N 3.02Å
885	A	94.2	Very high	92.2	Very high	9 Å²	9	85 Å²	85	7%	0.074	40%	0.404	C	S	.	.	H	α-helix	trans	-56.2	-46.1	174	0	0	0	0	0	111.6	L849 V852 L881 R887 L888 Q889	L849-A885 HydrophobicContact CD1-CB 4.11Å; V852-A885 HydrophobicContact CG1-CB 3.88Å; L881-A885 WeakPolarHBondContact O-CB 3.1Å; L881-A885 PolarHBondContact O-N 2.99Å; A885-R887 PolarHBondContact O-N 2.7Å; A885-L888 PolarHBondContact O-N 2.76Å; A885-Q889 WeakPolarHBondContact O-CB 3.42Å; A885-Q889 PolarHBondContact O-N 2.68Å
886	K	94.8	Very high	92.6	Very high	138 Å²	138	82.4 Å²	82.4	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-62.1	-41.4	175	-76	176.7	178.2	-174.6	0	112.6	L882 T883 E884 Q889 I890	L882-K886 VanDerWaalsContact O-CG 3.31Å; L882-K886 WeakPolarHBondContact O-CG 3.11Å; L882-K886 PolarHBondContact O-N 2.87Å; T883-K886 PolarHBondContact O-N 3.14Å; E884-K886 VanDerWaalsContact C-N 3.33Å; E884-K886 PolarHBondContact O-N 3.02Å; K886-Q889 PolarHBondContact O-N 2.62Å; K886-I890 WeakPolarHBondContact O-CD1 3.2Å; K886-I890 VanDerWaalsContact O-CG1 3.26Å; K886-I890 WeakPolarHBondContact O-CG1 3.42Å; K886-I890 PolarHBondContact O-N 2.93Å
887	R	96	Very high	92.7	Very high	182 Å²	182	81.8 Å²	81.8	69%	0.687	39%	0.385	S	S	*	.	H	α-helix	trans	-62	-47.6	175.4	177.8	-177.3	171.9	173.6	0.2	111.4	T883 E884 A885 Q889 I890 E891	T883-R887 PolarHBondContact O-N 3.43Å; E884-R887 WeakPolarHBondContact O-CB 3.34Å; E884-R887 PolarHBondContact O-N 3.27Å; E884-R887 VanDerWaalsContact O-N 3.12Å; A885-R887 PolarHBondContact O-N 2.7Å; R887-Q889 VanDerWaalsContact C-N 3.35Å; R887-I890 PolarHBondContact O-N 3.12Å; R887-E891 PolarHBondContact O-N 2.8Å
888	L	95.4	Very high	92.6	Very high	13 Å²	13	79.2 Å²	79.2	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-39.1	179.1	-71.2	168.8	0	0	0	111.7	L845 L848 L849 V852 E884 A885 E891 L892	L845-L888 HydrophobicContact CD2-CD2 3.95Å; L848-L888 HydrophobicContact CB-CD1 4.01Å; L848-L888 HydrophobicContact CB-CD2 3.99Å; L848-L888 HydrophobicContact CD1-CD2 4.27Å; L849-L888 HydrophobicContact CB-CB 4.3Å; L849-L888 HydrophobicContact CD1-CB 4.19Å; V852-L888 HydrophobicContact CG2-CD1 3.96Å; E884-L888 HydrophobicContact CG-CD1 4.05Å; E884-L888 HydrophobicContact CG-CG 4.47Å; E884-L888 WeakPolarHBondContact O-CG 3.41Å; E884-L888 PolarHBondContact O-N 3.02Å; A885-L888 PolarHBondContact O-N 2.76Å; L888-E891 PolarHBondContact O-N 3.26Å; L888-L892 VanDerWaalsContact O-CB 3.24Å; L888-L892 WeakPolarHBondContact O-CB 3.38Å; L888-L892 PolarHBondContact O-N 2.77Å
889	Q	93.9	Very high	92.4	Very high	91 Å²	91	77.4 Å²	77.4	43%	0.425	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-49.3	173.3	-179.1	177.8	-7.7	0	0	111.6	A885 K886 R887 E891 L892 E893	A885-Q889 WeakPolarHBondContact O-CB 3.42Å; A885-Q889 PolarHBondContact O-N 2.68Å; K886-Q889 PolarHBondContact O-N 2.62Å; R887-Q889 VanDerWaalsContact C-N 3.35Å; Q889-E891 VanDerWaalsContact C-N 3.33Å; Q889-E891 PolarHBondContact O-N 3.2Å; Q889-L892 PolarHBondContact O-N 2.85Å; Q889-E893 HydrophobicContact CG-CG 4.38Å; Q889-E893 VanDerWaalsContact CG-OE1 3.25Å; Q889-E893 WeakPolarHBondContact CG-OE1 3.47Å; Q889-E893 PolarHBondContact NE2-OE1 3.11Å; Q889-E893 WeakPolarHBondContact O-CB 3.24Å; Q889-E893 WeakPolarHBondContact O-CG 3.33Å; Q889-E893 PolarHBondContact O-N 3.42Å
890	I	94.7	Very high	92.1	Very high	114 Å²	114	75 Å²	75	59%	0.585	37%	0.368	S	S	*	.	H	α-helix	trans	-61.9	-39.7	178.6	-68.7	164	0	0	0	111.3	K886 R887 S894	K886-I890 WeakPolarHBondContact O-CD1 3.2Å; K886-I890 VanDerWaalsContact O-CG1 3.26Å; K886-I890 WeakPolarHBondContact O-CG1 3.42Å; K886-I890 PolarHBondContact O-N 2.93Å; R887-I890 PolarHBondContact O-N 3.12Å; I890-S894 VanDerWaalsContact O-CB 3.26Å; I890-S894 WeakPolarHBondContact O-CB 3.44Å; I890-S894 PolarHBondContact O-N 3.14Å
891	E	94.3	Very high	91.7	Very high	54 Å²	54	73.4 Å²	73.4	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-42.3	175.7	-164.8	-178.3	151.2	0	0	111.7	R841 L845 R887 L888 Q889 S894 T895	R841-E891 IonicContact CZ-OE1 3.55Å; R841-E891 IonicContact NE-OE1 2.8Å; R841-E891 PolarHBondContact NE-OE1 3.01Å; R841-E891 VanDerWaalsContact NE-OE1 3.14Å; R841-E891 IonicContact NH2-OE1 2.81Å; R841-E891 PolarHBondContact NH2-OE1 3.1Å; L845-E891 HydrophobicContact CD1-CB 4.32Å; L845-E891 HydrophobicContact CD1-CG 3.88Å; L845-E891 HydrophobicContact CD2-CB 4.28Å; L845-E891 HydrophobicContact CD2-CG 4.18Å; R887-E891 PolarHBondContact O-N 2.8Å; L888-E891 PolarHBondContact O-N 3.26Å; Q889-E891 VanDerWaalsContact C-N 3.33Å; Q889-E891 PolarHBondContact O-N 3.2Å; E891-S894 WeakPolarHBondContact O-CB 3.4Å; E891-S894 PolarHBondContact O-N 2.97Å; E891-T895 WeakPolarHBondContact O-CG2 3.24Å; E891-T895 PolarHBondContact O-N 3.33Å; E891-T895 PolarHBondContact O-OG1 3.1Å
892	L	94.9	Very high	90.8	Very high	22 Å²	22	75.7 Å²	75.7	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-62.1	-49.4	176.4	178.5	133.3	0	0	0	111.4	L845 K846 L888 Q889 S894 T895 L896	L845-L892 HydrophobicContact CB-CB 4.4Å; L845-L892 HydrophobicContact CB-CD1 4.2Å; K846-L892 HydrophobicContact CB-CD1 4.5Å; K846-L892 HydrophobicContact CG-CD1 3.52Å; L888-L892 VanDerWaalsContact O-CB 3.24Å; L888-L892 WeakPolarHBondContact O-CB 3.38Å; L888-L892 PolarHBondContact O-N 2.77Å; Q889-L892 PolarHBondContact O-N 2.85Å; L892-S894 VanDerWaalsContact C-N 3.3Å; L892-S894 PolarHBondContact O-N 3.12Å; L892-T895 PolarHBondContact O-N 3.06Å; L892-T895 PolarHBondContact O-OG1 3.14Å; L892-L896 HydrophobicContact CD2-CD1 3.6Å; L892-L896 HydrophobicContact CG-CD1 4.04Å; L892-L896 WeakPolarHBondContact O-CB 3.07Å; L892-L896 WeakPolarHBondContact O-CG 3.29Å; L892-L896 PolarHBondContact O-N 2.87Å
893	E	92.9	Very high	89.7	Confident	100 Å²	100	75.9 Å²	75.9	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-40.8	174.4	-73.5	173.4	-170.4	0	0	111.7	Q889 L896 E897	Q889-E893 HydrophobicContact CG-CG 4.38Å; Q889-E893 VanDerWaalsContact CG-OE1 3.25Å; Q889-E893 WeakPolarHBondContact CG-OE1 3.47Å; Q889-E893 PolarHBondContact NE2-OE1 3.11Å; Q889-E893 WeakPolarHBondContact O-CB 3.24Å; Q889-E893 WeakPolarHBondContact O-CG 3.33Å; Q889-E893 PolarHBondContact O-N 3.42Å; E893-L896 PolarHBondContact O-N 2.96Å; E893-E897 VanDerWaalsContact O-CB 3.26Å; E893-E897 WeakPolarHBondContact O-CB 3.44Å; E893-E897 PolarHBondContact O-N 2.89Å
894	S	92.8	Very high	88.5	Confident	79 Å²	79	75 Å²	75	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-62.9	-45	174.4	-171.2	0	0	0	0	112.5	I890 E891 L892 L896 A898	I890-S894 VanDerWaalsContact O-CB 3.26Å; I890-S894 WeakPolarHBondContact O-CB 3.44Å; I890-S894 PolarHBondContact O-N 3.14Å; E891-S894 WeakPolarHBondContact O-CB 3.4Å; E891-S894 PolarHBondContact O-N 2.97Å; L892-S894 VanDerWaalsContact C-N 3.3Å; L892-S894 PolarHBondContact O-N 3.12Å; S894-L896 PolarHBondContact O-N 2.96Å; S894-A898 WeakPolarHBondContact O-CB 3.47Å; S894-A898 PolarHBondContact O-N 3.39Å
895	T	90.4	Very high	87.1	Confident	9 Å²	9	75 Å²	75	6%	0.055	37%	0.368	C	S	.	.	H	α-helix	trans	-67	-34.9	178.1	58.9	0	0	0	0	113	R838 R841 L845 E891 L892 E899	R838-T895 PolarHBondContact NH2-O 2.58Å; R841-T895 HydrophobicContact CG-CG2 4.34Å; L845-T895 HydrophobicContact CD1-CG2 3.97Å; E891-T895 WeakPolarHBondContact O-CG2 3.24Å; E891-T895 PolarHBondContact O-N 3.33Å; E891-T895 PolarHBondContact O-OG1 3.1Å; L892-T895 PolarHBondContact O-N 3.06Å; L892-T895 PolarHBondContact O-OG1 3.14Å; T895-E899 PolarHBondContact O-N 3.07Å
896	L	91.6	Very high	85.4	Confident	63 Å²	63	80.9 Å²	80.9	33%	0.33	39%	0.388	S	S	.	.	H	α-helix	trans	-74.5	-43.4	175.6	-71.3	172.5	0	0	0	112.4	I842 L892 E893 S894 A898 E899 K900	I842-L896 HydrophobicContact CD1-CD2 4.15Å; I842-L896 HydrophobicContact CG2-CD2 4.26Å; L892-L896 HydrophobicContact CD2-CD1 3.6Å; L892-L896 HydrophobicContact CG-CD1 4.04Å; L892-L896 WeakPolarHBondContact O-CB 3.07Å; L892-L896 WeakPolarHBondContact O-CG 3.29Å; L892-L896 PolarHBondContact O-N 2.87Å; E893-L896 PolarHBondContact O-N 2.96Å; S894-L896 PolarHBondContact O-N 2.96Å; L896-A898 VanDerWaalsContact C-N 3.25Å; L896-A898 PolarHBondContact O-N 3.25Å; L896-E899 CarbonylContact O-C 3.56Å; L896-E899 WeakPolarHBondContact O-CA 3.45Å; L896-E899 WeakPolarHBondContact O-CB 3.25Å; L896-E899 PolarHBondContact O-N 2.86Å; L896-K900 WeakPolarHBondContact O-CB 3.29Å; L896-K900 PolarHBondContact O-N 3.36Å
897	E	88.5	Confident	83.3	Confident	71 Å²	71	76.9 Å²	76.9	33%	0.332	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-31.9	176.2	177.3	56.6	-156.1	0	0	111.2	E893 K900 K901	E893-E897 VanDerWaalsContact O-CB 3.26Å; E893-E897 WeakPolarHBondContact O-CB 3.44Å; E893-E897 PolarHBondContact O-N 2.89Å; E897-K900 IonicContact OE1-NZ 3.72Å; E897-K900 PolarHBondContact OE1-NZ 3.32Å; E897-K900 IonicContact OE2-NZ 2.69Å; E897-K900 PolarHBondContact OE2-NZ 3.38Å; E897-K901 HydrophobicContact CG-CD 4.48Å; E897-K901 WeakPolarHBondContact O-CB 3.46Å; E897-K901 WeakPolarHBondContact O-CD 3.39Å; E897-K901 VanDerWaalsContact O-CG 3.28Å; E897-K901 WeakPolarHBondContact O-CG 3.42Å; E897-K901 PolarHBondContact O-N 2.88Å; E897-K901 VanDerWaalsContact OE1-CE 3.24Å; E897-K901 WeakPolarHBondContact OE1-CE 3.24Å; E897-K901 IonicContact OE1-NZ 2.79Å
898	A	85.5	Confident	81.2	Confident	35 Å²	35	70.4 Å²	70.4	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-77.3	-20.8	170.5	0	0	0	0	0	113.3	R838 S894 L896 D902	R838-A898 VanDerWaalsContact CZ-C 3.43Å; R838-A898 PolarHBondContact NH1-O 3.44Å; R838-A898 PolarHBondContact NH2-O 3.33Å; S894-A898 WeakPolarHBondContact O-CB 3.47Å; S894-A898 PolarHBondContact O-N 3.39Å; L896-A898 VanDerWaalsContact C-N 3.25Å; L896-A898 PolarHBondContact O-N 3.25Å; A898-D902 PolarHBondContact O-N 3.4Å
899	E	85	Confident	78.9	Confident	64 Å²	64	73.2 Å²	73.2	30%	0.299	38%	0.376	S	S	.	.	H	α-helix	trans	-75.5	-43.1	169	-175.4	178.3	-174.5	0	0	110.1	I842 T895 L896 K901 D902 L903	I842-E899 WeakPolarHBondContact CD1-OE2 3.33Å; T895-E899 PolarHBondContact O-N 3.07Å; L896-E899 CarbonylContact O-C 3.56Å; L896-E899 WeakPolarHBondContact O-CA 3.45Å; L896-E899 WeakPolarHBondContact O-CB 3.25Å; L896-E899 PolarHBondContact O-N 2.86Å; E899-K901 VanDerWaalsContact C-N 3.28Å; E899-K901 PolarHBondContact O-N 3.39Å; E899-D902 CarbonylContact O-C 3.5Å; E899-D902 WeakPolarHBondContact O-CA 3.35Å; E899-D902 WeakPolarHBondContact O-CB 3.39Å; E899-D902 PolarHBondContact O-N 3.15Å; E899-L903 HydrophobicContact CG-CD1 4.39Å; E899-L903 WeakPolarHBondContact O-CG 3.46Å; E899-L903 PolarHBondContact O-N 2.88Å
900	K	85.3	Confident	76.3	Confident	98 Å²	98	78.5 Å²	78.5	43%	0.426	39%	0.392	S	S	.	.	H	α-helix	trans	-56.3	-41.8	168	171.6	164.8	152.4	-90.7	0	110.8	L896 E897 D902 L903 D904	L896-K900 WeakPolarHBondContact O-CB 3.29Å; L896-K900 PolarHBondContact O-N 3.36Å; E897-K900 IonicContact OE1-NZ 3.72Å; E897-K900 PolarHBondContact OE1-NZ 3.32Å; E897-K900 IonicContact OE2-NZ 2.69Å; E897-K900 PolarHBondContact OE2-NZ 3.38Å; K900-D902 PolarHBondContact O-N 3.39Å; K900-L903 CarbonylContact O-C 3.52Å; K900-L903 WeakPolarHBondContact O-CB 3.49Å; K900-L903 PolarHBondContact O-N 2.9Å; K900-D904 WeakPolarHBondContact CG-OD2 3.27Å; K900-D904 VanDerWaalsContact O-CB 3.26Å; K900-D904 WeakPolarHBondContact O-CB 3.45Å; K900-D904 PolarHBondContact O-N 2.85Å
901	K	82.9	Confident	73.7	Confident	109 Å²	109	77.2 Å²	77.2	47%	0.474	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-35.9	170.8	-74.1	160.5	-178.8	159.1	0	113.6	E897 E899 D904 I905	E897-K901 HydrophobicContact CG-CD 4.48Å; E897-K901 WeakPolarHBondContact O-CB 3.46Å; E897-K901 WeakPolarHBondContact O-CD 3.39Å; E897-K901 VanDerWaalsContact O-CG 3.28Å; E897-K901 WeakPolarHBondContact O-CG 3.42Å; E897-K901 PolarHBondContact O-N 2.88Å; E897-K901 VanDerWaalsContact OE1-CE 3.24Å; E897-K901 WeakPolarHBondContact OE1-CE 3.24Å; E897-K901 IonicContact OE1-NZ 2.79Å; E899-K901 VanDerWaalsContact C-N 3.28Å; E899-K901 PolarHBondContact O-N 3.39Å; K901-D904 CarbonylContact O-C 3.59Å; K901-D904 PolarHBondContact O-N 3Å; K901-I905 VanDerWaalsContact O-CB 3.22Å; K901-I905 WeakPolarHBondContact O-CB 3.27Å; K901-I905 WeakPolarHBondContact O-CD1 3.39Å; K901-I905 WeakPolarHBondContact O-CG1 3.22Å; K901-I905 PolarHBondContact O-N 2.98Å
902	D	74.3	Confident	71.1	Confident	67 Å²	67	77.6 Å²	77.6	36%	0.358	39%	0.392	S	S	.	.	H	α-helix	trans	-67.3	-36	170.8	-80.1	-14.3	0	0	0	112.1	R838 A898 E899 K900 I905 R906	R838-D902 IonicContact CZ-OD2 3.7Å; R838-D902 IonicContact NH1-OD2 3.34Å; R838-D902 PolarHBondContact NH1-OD2 2.95Å; A898-D902 PolarHBondContact O-N 3.4Å; E899-D902 CarbonylContact O-C 3.5Å; E899-D902 WeakPolarHBondContact O-CA 3.35Å; E899-D902 WeakPolarHBondContact O-CB 3.39Å; E899-D902 PolarHBondContact O-N 3.15Å; K900-D902 PolarHBondContact O-N 3.39Å; D902-I905 PolarHBondContact O-N 3.37Å; D902-R906 VanDerWaalsContact O-CB 3.29Å; D902-R906 WeakPolarHBondContact O-CB 3.45Å; D902-R906 WeakPolarHBondContact O-CD 3.42Å; D902-R906 WeakPolarHBondContact O-CG 3.29Å; D902-R906 PolarHBondContact O-N 3.08Å
903	L	68.9	Low	68.4	Low	89 Å²	89	80.8 Å²	80.8	47%	0.466	41%	0.409	S	S	.	.	H	α-helix	trans	-71.5	-31.5	173.5	-69	171.1	0	0	0	111.9	E899 K900 S907	E899-L903 HydrophobicContact CG-CD1 4.39Å; E899-L903 WeakPolarHBondContact O-CG 3.46Å; E899-L903 PolarHBondContact O-N 2.88Å; K900-L903 CarbonylContact O-C 3.52Å; K900-L903 WeakPolarHBondContact O-CB 3.49Å; K900-L903 PolarHBondContact O-N 2.9Å; L903-S907 WeakPolarHBondContact O-CA 3.46Å; L903-S907 WeakPolarHBondContact O-CB 3.44Å; L903-S907 PolarHBondContact O-N 2.83Å; L903-S907 PolarHBondContact O-OG 3.14Å
904	D	68.6	Low	65.7	Low	77 Å²	77	76.7 Å²	76.7	41%	0.412	39%	0.391	S	S	.	.	H	α-helix	trans	-84.4	-16.2	174.4	-68.7	-24.3	0	0	0	111.6	K900 K901 S908	K900-D904 WeakPolarHBondContact CG-OD2 3.27Å; K900-D904 VanDerWaalsContact O-CB 3.26Å; K900-D904 WeakPolarHBondContact O-CB 3.45Å; K900-D904 PolarHBondContact O-N 2.85Å; K901-D904 CarbonylContact O-C 3.59Å; K901-D904 PolarHBondContact O-N 3Å; D904-S908 VanDerWaalsContact O-CA 3.31Å; D904-S908 WeakPolarHBondContact O-CA 3.24Å; D904-S908 WeakPolarHBondContact O-CB 3.32Å; D904-S908 PolarHBondContact O-N 2.85Å; D904-S908 PolarHBondContact O-OG 3.4Å
905	I	64.3	Low	63.2	Low	91 Å²	91	79.5 Å²	79.5	47%	0.467	39%	0.394	S	S	.	.	H	α-helix	trans	-88.5	-30.1	167.1	-72.3	165.5	0	0	0	110	K901 D902 S908 N909	K901-I905 VanDerWaalsContact O-CB 3.22Å; K901-I905 WeakPolarHBondContact O-CB 3.27Å; K901-I905 WeakPolarHBondContact O-CD1 3.39Å; K901-I905 WeakPolarHBondContact O-CG1 3.22Å; K901-I905 PolarHBondContact O-N 2.98Å; D902-I905 PolarHBondContact O-N 3.37Å; I905-S908 WeakPolarHBondContact CA-OG 3.33Å; I905-N909 WeakPolarHBondContact CG2-ND2 3.4Å; I905-N909 WeakPolarHBondContact O-CB 3.41Å; I905-N909 PolarHBondContact O-N 3.02Å; I905-N909 PolarHBondContact O-ND2 2.97Å
906	R	58.9	Low	60.7	Low	132 Å²	132	88.5 Å²	88.5	50%	0.498	43%	0.432	S	S	.	.	H	α-helix	trans	-71	-41	166.4	-76.1	167.6	177	-143.9	-5.6	111.3	D902 R910	D902-R906 VanDerWaalsContact O-CB 3.29Å; D902-R906 WeakPolarHBondContact O-CB 3.45Å; D902-R906 WeakPolarHBondContact O-CD 3.42Å; D902-R906 WeakPolarHBondContact O-CG 3.29Å; D902-R906 PolarHBondContact O-N 3.08Å; R906-R910 WeakPolarHBondContact O-CB 3.36Å; R906-R910 VanDerWaalsContact O-CG 3.25Å; R906-R910 WeakPolarHBondContact O-CG 3.45Å; R906-R910 PolarHBondContact O-N 2.87Å
907	S	51	Low	58	Low	54 Å²	54	90.4 Å²	90.4	38%	0.378	44%	0.442	S	S	.	.	H	α-helix	trans	-72	-48.5	173.7	-59.2	0	0	0	0	109.8	L903 N909 R910 E911	L903-S907 WeakPolarHBondContact O-CA 3.46Å; L903-S907 WeakPolarHBondContact O-CB 3.44Å; L903-S907 PolarHBondContact O-N 2.83Å; L903-S907 PolarHBondContact O-OG 3.14Å; S907-N909 VanDerWaalsContact C-N 3.33Å; S907-N909 PolarHBondContact O-N 3.29Å; S907-R910 CarbonylContact O-C 3.43Å; S907-R910 WeakPolarHBondContact O-CA 3.47Å; S907-R910 VanDerWaalsContact O-CB 3.32Å; S907-R910 WeakPolarHBondContact O-CB 3.43Å; S907-R910 PolarHBondContact O-N 3.41Å; S907-E911 WeakPolarHBondContact O-CG 3.33Å; S907-E911 PolarHBondContact O-N 3.04Å
908	S	50.8	Low	55.3	Low	46 Å²	46	90.9 Å²	90.9	32%	0.322	44%	0.443	S	S	.	.	H	α-helix	trans	-70.5	-21.6	176.8	71	0	0	0	0	114.2	D904 I905 E911 S912	D904-S908 VanDerWaalsContact O-CA 3.31Å; D904-S908 WeakPolarHBondContact O-CA 3.24Å; D904-S908 WeakPolarHBondContact O-CB 3.32Å; D904-S908 PolarHBondContact O-N 2.85Å; D904-S908 PolarHBondContact O-OG 3.4Å; I905-S908 WeakPolarHBondContact CA-OG 3.33Å; S908-E911 CarbonylContact O-C 3.56Å; S908-E911 VanDerWaalsContact O-C 3.25Å; S908-E911 PolarHBondContact O-N 3.31Å; S908-S912 WeakPolarHBondContact O-CA 3.31Å; S908-S912 WeakPolarHBondContact O-CB 3.32Å; S908-S912 PolarHBondContact O-N 3.47Å; S908-S912 PolarHBondContact O-OG 3.48Å
909	N	46.8	Very low	52.8	Low	72 Å²	72	91.6 Å²	91.6	39%	0.385	44%	0.443	S	S	.	.	H	α-helix	trans	-75.7	-37.5	162.5	-82.7	-77.1	0	0	0	111.7	I905 S907 E911 S912 N913 S914	I905-N909 WeakPolarHBondContact CG2-ND2 3.4Å; I905-N909 WeakPolarHBondContact O-CB 3.41Å; I905-N909 PolarHBondContact O-N 3.02Å; I905-N909 PolarHBondContact O-ND2 2.97Å; S907-N909 VanDerWaalsContact C-N 3.33Å; S907-N909 PolarHBondContact O-N 3.29Å; N909-E911 PolarHBondContact O-N 3.3Å; N909-E911 VanDerWaalsContact O-N 3.16Å; N909-S912 PolarHBondContact O-N 2.98Å; N909-S912 VanDerWaalsContact O-N 3.15Å; N909-N913 WeakPolarHBondContact O-CA 3.47Å; N909-N913 VanDerWaalsContact O-CB 3.27Å; N909-N913 WeakPolarHBondContact O-CB 3.49Å; N909-N913 PolarHBondContact O-N 3.01Å; N909-N913 PolarHBondContact OD1-ND2 2.83Å; N909-S914 PolarHBondContact O-N 3.01Å
910	R	40.8	Very low	50.4	Low	203 Å²	203	91.3 Å²	91.3	77%	0.766	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	1.8	162.6	-76.1	174.4	160.2	-170.6	-4.7	113.9	R906 S907 S914	R906-R910 WeakPolarHBondContact O-CB 3.36Å; R906-R910 VanDerWaalsContact O-CG 3.25Å; R906-R910 WeakPolarHBondContact O-CG 3.45Å; R906-R910 PolarHBondContact O-N 2.87Å; S907-R910 CarbonylContact O-C 3.43Å; S907-R910 WeakPolarHBondContact O-CA 3.47Å; S907-R910 VanDerWaalsContact O-CB 3.32Å; S907-R910 WeakPolarHBondContact O-CB 3.43Å; S907-R910 PolarHBondContact O-N 3.41Å; R910-S914 WeakPolarHBondContact O-CB 3.43Å; R910-S914 PolarHBondContact O-OG 2.7Å
911	E	39.4	Very low	48.2	Very low	87 Å²	87	90 Å²	90	41%	0.407	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-7.5	167.5	-64.2	-168.8	-176.6	0	0	113.6	S907 S908 N909 S914 K915 F918	S907-E911 WeakPolarHBondContact O-CG 3.33Å; S907-E911 PolarHBondContact O-N 3.04Å; S908-E911 CarbonylContact O-C 3.56Å; S908-E911 VanDerWaalsContact O-C 3.25Å; S908-E911 PolarHBondContact O-N 3.31Å; N909-E911 PolarHBondContact O-N 3.3Å; N909-E911 VanDerWaalsContact O-N 3.16Å; E911-S914 WeakPolarHBondContact CA-OG 3.24Å; E911-S914 PolarHBondContact N-OG 2.92Å; E911-K915 VanDerWaalsContact C-N 3.3Å; E911-K915 WeakPolarHBondContact O-CB 3.45Å; E911-K915 WeakPolarHBondContact O-CD 3.12Å; E911-K915 WeakPolarHBondContact O-CE 3.45Å; E911-K915 WeakPolarHBondContact O-CG 3.48Å; E911-K915 PolarHBondContact O-N 3.41Å; E911-K915 IonicContact OE2-NZ 2.68Å; E911-K915 PolarHBondContact OE2-NZ 2.96Å; E911-F918 HydrophobicContact CB-CE2 4.27Å; E911-F918 HydrophobicContact CG-CE2 4.14Å; E911-F918 HydrophobicContact CG-CZ 4.44Å
912	S	40.4	Very low	45.9	Very low	61 Å²	61	91.2 Å²	91.2	43%	0.427	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-39.4	-171.8	-57.2	0	0	0	0	113.2	S908 N909 S914 K915 K916	S908-S912 WeakPolarHBondContact O-CA 3.31Å; S908-S912 WeakPolarHBondContact O-CB 3.32Å; S908-S912 PolarHBondContact O-N 3.47Å; S908-S912 PolarHBondContact O-OG 3.48Å; N909-S912 PolarHBondContact O-N 2.98Å; N909-S912 VanDerWaalsContact O-N 3.15Å; S912-S914 PolarHBondContact O-N 3.29Å; S912-K915 PolarHBondContact O-N 2.96Å; S912-K916 PolarHBondContact O-N 3.43Å
913	N	37.2	Very low	44.1	Very low	89 Å²	89	93.8 Å²	93.8	48%	0.476	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.5	150.9	-72	-50	0	0	0	108.4	N909 K916 I917	N909-N913 WeakPolarHBondContact O-CA 3.47Å; N909-N913 VanDerWaalsContact O-CB 3.27Å; N909-N913 WeakPolarHBondContact O-CB 3.49Å; N909-N913 PolarHBondContact O-N 3.01Å; N909-N913 PolarHBondContact OD1-ND2 2.83Å; N913-K916 CarbonylContact O-C 3.57Å; N913-K916 WeakPolarHBondContact O-CA 3.45Å; N913-K916 PolarHBondContact O-N 3.49Å; N913-K916 VanDerWaalsContact O-N 3.16Å; N913-I917 HydrophobicContact CB-CD1 4.35Å; N913-I917 WeakPolarHBondContact O-CB 3.31Å; N913-I917 WeakPolarHBondContact O-CG1 3.21Å; N913-I917 PolarHBondContact O-N 3.46Å
914	S	36.2	Very low	42.4	Very low	14 Å²	14	93 Å²	93	10%	0.098	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-83.4	-23.3	171.5	76.4	0	0	0	0	115.2	N909 R910 E911 S912 K916 I917 F918	N909-S914 PolarHBondContact O-N 3.01Å; R910-S914 WeakPolarHBondContact O-CB 3.43Å; R910-S914 PolarHBondContact O-OG 2.7Å; E911-S914 WeakPolarHBondContact CA-OG 3.24Å; E911-S914 PolarHBondContact N-OG 2.92Å; S912-S914 PolarHBondContact O-N 3.29Å; S914-K916 PolarHBondContact O-N 2.84Å; S914-I917 VanDerWaalsContact C-N 3.35Å; S914-I917 CarbonylContact O-C 3.53Å; S914-I917 PolarHBondContact O-N 2.94Å; S914-F918 VanDerWaalsContact CB-CG 3.47Å; S914-F918 WeakPolarHBondContact O-CA 3.21Å; S914-F918 WeakPolarHBondContact O-CB 3.33Å; S914-F918 PolarHBondContact O-N 2.81Å; S914-F918 WeakPolarHBondContact OG-CD2 3.3Å; S914-F918 WeakPolarHBondContact OG-CE2 3.46Å; S914-F918 WeakPolarHBondContact OG-CG 3.45Å
915	K	39.7	Very low	41.1	Very low	139 Å²	139	91.9 Å²	91.9	60%	0.604	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-63.8	5.3	158.4	-76.1	152.5	-150.2	159.5	0	112.5	E911 S912	E911-K915 VanDerWaalsContact C-N 3.3Å; E911-K915 WeakPolarHBondContact O-CB 3.45Å; E911-K915 WeakPolarHBondContact O-CD 3.12Å; E911-K915 WeakPolarHBondContact O-CE 3.45Å; E911-K915 WeakPolarHBondContact O-CG 3.48Å; E911-K915 PolarHBondContact O-N 3.41Å; E911-K915 IonicContact OE2-NZ 2.68Å; E911-K915 PolarHBondContact OE2-NZ 2.96Å; S912-K915 PolarHBondContact O-N 2.96Å
916	K	38.8	Very low	40.2	Very low	197 Å²	197	91.3 Å²	91.3	86%	0.857	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-125.9	1	155.2	-72.9	-176.5	172.6	178.2	0	117	S912 N913 S914	S912-K916 PolarHBondContact O-N 3.43Å; N913-K916 CarbonylContact O-C 3.57Å; N913-K916 WeakPolarHBondContact O-CA 3.45Å; N913-K916 PolarHBondContact O-N 3.49Å; N913-K916 VanDerWaalsContact O-N 3.16Å; S914-K916 PolarHBondContact O-N 2.84Å
917	I	35.3	Very low	39.7	Very low	104 Å²	104	91.2 Å²	91.2	53%	0.533	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	14.7	-174.3	-51.3	166.4	0	0	0	111.5	N913 S914 T919	N913-I917 HydrophobicContact CB-CD1 4.35Å; N913-I917 WeakPolarHBondContact O-CB 3.31Å; N913-I917 WeakPolarHBondContact O-CG1 3.21Å; N913-I917 PolarHBondContact O-N 3.46Å; S914-I917 VanDerWaalsContact C-N 3.35Å; S914-I917 CarbonylContact O-C 3.53Å; S914-I917 PolarHBondContact O-N 2.94Å; I917-T919 PolarHBondContact O-N 3.42Å
918	F	32	Very low	39.6	Very low	81 Å²	81	94.7 Å²	94.7	36%	0.355	51%	0.514	S	S	.	.			trans	-78.6	67.6	170.4	-103.5	-45.8	0	0	0	106	E911 S914	E911-F918 HydrophobicContact CB-CE2 4.27Å; E911-F918 HydrophobicContact CG-CE2 4.14Å; E911-F918 HydrophobicContact CG-CZ 4.44Å; S914-F918 VanDerWaalsContact CB-CG 3.47Å; S914-F918 WeakPolarHBondContact O-CA 3.21Å; S914-F918 WeakPolarHBondContact O-CB 3.33Å; S914-F918 PolarHBondContact O-N 2.81Å; S914-F918 WeakPolarHBondContact OG-CD2 3.3Å; S914-F918 WeakPolarHBondContact OG-CE2 3.46Å; S914-F918 WeakPolarHBondContact OG-CG 3.45Å
919	T	32.5	Very low	40.2	Very low	50 Å²	50	93.3 Å²	93.3	31%	0.307	50%	0.504	S	S	.	.	S	Bend	trans	-117.2	26.6	161.9	64.7	0	0	0	0	109.7	I917 S949 Q952	I917-T919 PolarHBondContact O-N 3.42Å; T919-S949 VanDerWaalsContact CG2-CB 3.46Å; T919-Q952 VanDerWaalsContact C-CD 3.49Å; T919-Q952 VanDerWaalsContact C-NE2 3.25Å; T919-Q952 PolarHBondContact O-NE2 2.75Å; T919-Q952 PolarHBondContact O-OE1 3.01Å
920	S	35	Very low	41.2	Very low	57 Å²	57	91.8 Å²	91.8	40%	0.399	50%	0.502	S	S	.	.			trans	-167	98.6	178.8	60.2	0	0	0	0	112.1
921	K	38.1	Very low	42.5	Very low	72 Å²	72	84.8 Å²	84.8	31%	0.313	49%	0.487	S	S	.	.			trans	-64.6	142.1	138.7	-76.7	169.6	172.2	164.2	0	106.7	L923 D956 E959	K921-L923 HydrophobicContact CB-CD1 4.23Å; K921-L923 PolarHBondContact O-N 3.43Å; K921-D956 VanDerWaalsContact CE-OD1 3.24Å; K921-D956 WeakPolarHBondContact CE-OD1 3.33Å; K921-D956 IonicContact NZ-OD1 3.87Å; K921-D956 PolarHBondContact NZ-OD1 3.03Å; K921-D956 IonicContact NZ-OD2 3.89Å; K921-E959 IonicContact NZ-OE2 2.77Å; K921-E959 PolarHBondContact NZ-OE2 3.31Å
922	P	35.9	Very low	43.9	Very low	133 Å²	133	82 Å²	82	86%	0.864	48%	0.479	S	S	*	.	S	Bend	trans	-76.2	61.1	-179.1	32	-35.9	0	0	0	112.2
923	L	35	Very low	45.6	Very low	122 Å²	122	80 Å²	80	64%	0.639	46%	0.464	S	S	*	.	S	Bend	trans	-106.8	92.4	173.1	-78.5	159.3	0	0	0	108.2	K921 S925	K921-L923 HydrophobicContact CB-CD1 4.23Å; K921-L923 PolarHBondContact O-N 3.43Å; L923-S925 PolarHBondContact O-N 3.06Å
924	G	34.1	Very low	47.4	Very low	72 Å²	72	81.6 Å²	81.6	74%	0.742	47%	0.468	S	S	*	.	S	Bend	trans	82.5	-10.9	167.3	0	0	0	0	0	118	T926	G924-T926 VanDerWaalsContact C-N 3.31Å; G924-T926 PolarHBondContact O-N 2.9Å
925	S	40.4	Very low	49.3	Very low	53 Å²	53	83.5 Å²	83.5	37%	0.371	49%	0.485	S	S	.	.			trans	-69.8	84.7	178	-157.7	0	0	0	0	111.9	L923 S929 E990	L923-S925 PolarHBondContact O-N 3.06Å; S925-S929 PolarHBondContact OG-OG 3.43Å; S925-S929 VanDerWaalsContact OG-OG 3.12Å; S925-E990 WeakPolarHBondContact CB-OE2 3.41Å; S925-E990 PolarHBondContact OG-OE2 3.18Å
926	T	45.4	Very low	51.1	Low	80 Å²	80	77.3 Å²	77.3	49%	0.491	46%	0.459	S	S	.	.			trans	-64.1	156.1	170.9	62.6	0	0	0	0	110	G924 I928 S929	G924-T926 VanDerWaalsContact C-N 3.31Å; G924-T926 PolarHBondContact O-N 2.9Å; T926-I928 PolarHBondContact O-N 3.23Å; T926-I928 WeakPolarHBondContact OG1-CB 3.41Å; T926-I928 PolarHBondContact OG1-N 2.95Å; T926-S929 PolarHBondContact O-N 3.44Å; T926-S929 PolarHBondContact O-OG 3.13Å
927	T	49.4	Very low	53.1	Low	130 Å²	130	69.8 Å²	69.8	80%	0.798	43%	0.43	S	S	*	.	H	α-helix	trans	-55.9	-13.4	171.5	34.7	0	0	0	0	113.8	A931	T927-A931 VanDerWaalsContact O-CB 3.29Å; T927-A931 WeakPolarHBondContact O-CB 3.4Å; T927-A931 PolarHBondContact O-N 3.48Å
928	I	49	Very low	55.2	Low	127 Å²	127	68.3 Å²	68.3	65%	0.651	43%	0.429	S	S	*	.	H	α-helix	trans	-75.1	-44.1	174.5	-49.4	176.2	0	0	0	111.7	T926 A931 A932	T926-I928 PolarHBondContact O-N 3.23Å; T926-I928 WeakPolarHBondContact OG1-CB 3.41Å; T926-I928 PolarHBondContact OG1-N 2.95Å; I928-A931 PolarHBondContact O-N 3.02Å; I928-A932 VanDerWaalsContact O-CB 3.27Å; I928-A932 WeakPolarHBondContact O-CB 3.26Å; I928-A932 PolarHBondContact O-N 3Å
929	S	63.8	Low	57.6	Low	16 Å²	16	68.3 Å²	68.3	11%	0.112	44%	0.437	C	S	.	.	H	α-helix	trans	-69.9	-41.3	-179.1	61.9	0	0	0	0	111.5	S925 T926 A931 A932 L933 E990	S925-S929 PolarHBondContact OG-OG 3.43Å; S925-S929 VanDerWaalsContact OG-OG 3.12Å; T926-S929 PolarHBondContact O-N 3.44Å; T926-S929 PolarHBondContact O-OG 3.13Å; S929-A931 VanDerWaalsContact C-N 3.34Å; S929-A931 PolarHBondContact O-N 2.77Å; S929-A932 PolarHBondContact O-N 3.11Å; S929-A932 VanDerWaalsContact O-N 3.14Å; S929-L933 PolarHBondContact O-N 3.33Å; S929-E990 WeakPolarHBondContact CB-OE2 3.47Å; S929-E990 PolarHBondContact OG-OE2 3.38Å
930	A	66.8	Low	59.9	Low	41 Å²	41	68 Å²	68	34%	0.339	43%	0.433	S	S	.	.	H	α-helix	trans	-58.3	-42.8	172.2	0	0	0	0	0	112.6	Q934	A930-Q934 WeakPolarHBondContact O-CG 3.35Å; A930-Q934 PolarHBondContact O-N 2.82Å; A930-Q934 VanDerWaalsContact O-N 3.14Å
931	A	67.5	Low	62.1	Low	55 Å²	55	69 Å²	69	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-69.9	-32.5	175.5	0	0	0	0	0	112.9	T927 I928 S929 Q934 A935	T927-A931 VanDerWaalsContact O-CB 3.29Å; T927-A931 WeakPolarHBondContact O-CB 3.4Å; T927-A931 PolarHBondContact O-N 3.48Å; I928-A931 PolarHBondContact O-N 3.02Å; S929-A931 VanDerWaalsContact C-N 3.34Å; S929-A931 PolarHBondContact O-N 2.77Å; A931-Q934 PolarHBondContact O-N 3.41Å; A931-A935 PolarHBondContact O-N 2.85Å
932	A	70.1	Confident	64.4	Low	29 Å²	29	71 Å²	71	24%	0.24	44%	0.442	C	S	.	.	H	α-helix	trans	-69.6	-47.2	176.8	0	0	0	0	0	111.6	I928 S929 Q934 A935 V992	I928-A932 VanDerWaalsContact O-CB 3.27Å; I928-A932 WeakPolarHBondContact O-CB 3.26Å; I928-A932 PolarHBondContact O-N 3Å; S929-A932 PolarHBondContact O-N 3.11Å; S929-A932 VanDerWaalsContact O-N 3.14Å; A932-Q934 PolarHBondContact O-N 3.4Å; A932-A935 WeakPolarHBondContact O-CB 3.45Å; A932-A935 PolarHBondContact O-N 3.15Å; A932-V992 VanDerWaalsContact C-CG2 3.49Å; A932-V992 HydrophobicContact CB-CB 4.02Å; A932-V992 HydrophobicContact CB-CG2 4Å; A932-V992 WeakPolarHBondContact O-CG2 3.49Å
933	L	75.3	Confident	66.7	Low	20 Å²	20	68.3 Å²	68.3	11%	0.105	42%	0.418	C	S	.	.	H	α-helix	trans	-58.7	-34.6	172.2	-74.7	174.4	0	0	0	112.1	S929 A935 L936 R941 I948 E990 V992	S929-L933 PolarHBondContact O-N 3.33Å; L933-A935 PolarHBondContact O-N 3.37Å; L933-L936 HydrophobicContact CD2-CD1 4.25Å; L933-L936 PolarHBondContact O-N 2.65Å; L933-R941 WeakPolarHBondContact O-CD 3.37Å; L933-I948 HydrophobicContact CD1-CD1 3.82Å; L933-I948 HydrophobicContact CD2-CD1 4.3Å; L933-E990 HydrophobicContact CD1-CG 4.39Å; L933-V992 HydrophobicContact CD2-CG2 4Å; L933-V992 HydrophobicContact CG-CG2 4.38Å
934	Q	75.8	Confident	69.2	Low	121 Å²	121	64.2 Å²	64.2	57%	0.565	39%	0.393	S	S	*	.	H	α-helix	trans	-66.4	-20.4	174.8	-76.1	174.2	28.3	0	0	114.1	A930 A931 A932	A930-Q934 WeakPolarHBondContact O-CG 3.35Å; A930-Q934 PolarHBondContact O-N 2.82Å; A930-Q934 VanDerWaalsContact O-N 3.14Å; A931-Q934 PolarHBondContact O-N 3.41Å; A932-Q934 PolarHBondContact O-N 3.4Å
935	A	75.8	Confident	71.6	Confident	55 Å²	55	64.2 Å²	64.2	46%	0.455	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.2	178.7	0	0	0	0	0	114.1	A931 A932 L933 M997	A931-A935 PolarHBondContact O-N 2.85Å; A932-A935 WeakPolarHBondContact O-CB 3.45Å; A932-A935 PolarHBondContact O-N 3.15Å; L933-A935 PolarHBondContact O-N 3.37Å; A935-M997 HydrophobicContact CB-CE 4.12Å; A935-M997 VanDerWaalsContact O-CE 3.24Å; A935-M997 WeakPolarHBondContact O-CE 3.42Å
936	L	77.2	Confident	74	Confident	8 Å²	8	66.7 Å²	66.7	4%	0.042	38%	0.378	C	S	.	.	S	Bend	trans	-73.1	147.2	176.9	-77.3	173.2	0	0	0	112.3	L933 I940 R941 V992 D996	L933-L936 HydrophobicContact CD2-CD1 4.25Å; L933-L936 PolarHBondContact O-N 2.65Å; L936-I940 HydrophobicContact CD1-CG2 4.27Å; L936-I940 HydrophobicContact CD2-CG2 4.27Å; L936-R941 HydrophobicContact CB-CB 4.01Å; L936-V992 HydrophobicContact CD1-CG1 4.35Å; L936-V992 HydrophobicContact CD1-CG2 3.73Å; L936-V992 HydrophobicContact CD2-CG1 3.77Å; L936-V992 HydrophobicContact CG-CG1 3.91Å; L936-V992 HydrophobicContact CG-CG2 3.97Å; L936-D996 HydrophobicContact CD2-CB 3.95Å
937	P	81.5	Confident	76.2	Confident	39 Å²	39	66.1 Å²	66.1	25%	0.253	37%	0.37	S	S	.	.			trans	-53.5	143.8	170	-26.3	35.9	0	0	0	112.3	I940 R941	P937-I940 HydrophobicContact CB-CD1 4.43Å; P937-I940 HydrophobicContact CG-CD1 4.28Å; P937-I940 PolarHBondContact O-N 3.38Å; P937-I940 VanDerWaalsContact O-N 3.14Å; P937-R941 WeakPolarHBondContact O-CB 3.4Å; P937-R941 PolarHBondContact O-N 3.29Å
938	S	78	Confident	78.1	Confident	74 Å²	74	60.2 Å²	60.2	52%	0.517	33%	0.334	S	S	.	.	H	α-helix	trans	-50.9	-44.7	-171.6	44.3	0	0	0	0	116.3	R941 L942	S938-R941 PolarHBondContact O-N 3.06Å; S938-L942 WeakPolarHBondContact O-CB 3.35Å; S938-L942 VanDerWaalsContact O-CG 3.29Å; S938-L942 WeakPolarHBondContact O-CG 3.33Å; S938-L942 PolarHBondContact O-N 3.43Å
939	P	83	Confident	80	Confident	80 Å²	80	55.8 Å²	55.8	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-44.1	178.5	25.5	-33.8	0	0	0	112.3	R941 L942 E943	P939-R941 VanDerWaalsContact C-N 3.31Å; P939-R941 PolarHBondContact O-N 2.9Å; P939-L942 PolarHBondContact O-N 2.68Å; P939-E943 PolarHBondContact O-N 3.38Å
940	I	80.5	Confident	81.3	Confident	43 Å²	43	60.7 Å²	60.7	22%	0.221	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-41	178.8	-56	178.6	0	0	0	110.2	L936 P937 R944 L999	L936-I940 HydrophobicContact CD1-CG2 4.27Å; L936-I940 HydrophobicContact CD2-CG2 4.27Å; P937-I940 HydrophobicContact CB-CD1 4.43Å; P937-I940 HydrophobicContact CG-CD1 4.28Å; P937-I940 PolarHBondContact O-N 3.38Å; P937-I940 VanDerWaalsContact O-N 3.14Å; I940-R944 WeakPolarHBondContact O-CB 3.46Å; I940-R944 PolarHBondContact O-N 2.62Å; I940-L999 HydrophobicContact CD1-CB 4.45Å
941	R	82.7	Confident	82.5	Confident	79 Å²	79	59.7 Å²	59.7	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-47.8	176.5	179.3	179.7	163.3	175.5	-3.2	111.9	L933 L936 P937 S938 P939 R944 Q945	L933-R941 WeakPolarHBondContact O-CD 3.37Å; L936-R941 HydrophobicContact CB-CB 4.01Å; P937-R941 WeakPolarHBondContact O-CB 3.4Å; P937-R941 PolarHBondContact O-N 3.29Å; S938-R941 PolarHBondContact O-N 3.06Å; P939-R941 VanDerWaalsContact C-N 3.31Å; P939-R941 PolarHBondContact O-N 2.9Å; R941-R944 PolarHBondContact O-N 2.76Å; R941-Q945 HydrophobicContact CG-CG 4.43Å; R941-Q945 VanDerWaalsContact NE-OE1 3.11Å; R941-Q945 WeakPolarHBondContact O-CB 3.5Å; R941-Q945 VanDerWaalsContact O-CG 3.29Å; R941-Q945 WeakPolarHBondContact O-CG 3.17Å; R941-Q945 PolarHBondContact O-N 3.21Å
942	L	84.9	Confident	83.7	Confident	115 Å²	115	58 Å²	58	60%	0.602	31%	0.306	S	S	*	.	H	α-helix	trans	-63.9	-43.3	-179.5	-74	170.9	0	0	0	111.7	S938 P939 Q945 K946	S938-L942 WeakPolarHBondContact O-CB 3.35Å; S938-L942 VanDerWaalsContact O-CG 3.29Å; S938-L942 WeakPolarHBondContact O-CG 3.33Å; S938-L942 PolarHBondContact O-N 3.43Å; P939-L942 PolarHBondContact O-N 2.68Å; L942-Q945 PolarHBondContact O-N 2.97Å; L942-K946 PolarHBondContact O-N 3.05Å
943	E	85.7	Confident	84.7	Confident	76 Å²	76	60.8 Å²	60.8	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-40.9	177.2	-177.4	54.2	-151.8	0	0	111.7	P939 Q945 K946 Q947	P939-E943 PolarHBondContact O-N 3.38Å; E943-Q945 PolarHBondContact O-N 2.89Å; E943-K946 VanDerWaalsContact CD-NZ 3.26Å; E943-K946 WeakPolarHBondContact O-CB 3.31Å; E943-K946 PolarHBondContact O-N 3.36Å; E943-K946 IonicContact OE1-NZ 2.9Å; E943-K946 PolarHBondContact OE1-NZ 2.63Å; E943-K946 IonicContact OE2-NZ 3.61Å; E943-K946 PolarHBondContact OE2-NZ 2.96Å; E943-Q947 VanDerWaalsContact O-CG 3.31Å; E943-Q947 WeakPolarHBondContact O-CG 3.33Å; E943-Q947 PolarHBondContact O-N 3.05Å; E943-Q947 PolarHBondContact OE1-NE2 3.33Å
944	R	86.1	Confident	85.5	Confident	35 Å²	35	62.8 Å²	62.8	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-42.4	170.7	-80.8	-156.6	-179.5	-167.9	5.2	112.7	I940 R941 K946 Q947 I948 L989 T991 D996	I940-R944 WeakPolarHBondContact O-CB 3.46Å; I940-R944 PolarHBondContact O-N 2.62Å; R941-R944 PolarHBondContact O-N 2.76Å; R944-K946 VanDerWaalsContact C-N 3.29Å; R944-K946 PolarHBondContact O-N 3.33Å; R944-Q947 PolarHBondContact O-N 2.68Å; R944-I948 WeakPolarHBondContact O-CB 3.23Å; R944-I948 WeakPolarHBondContact O-CG1 3.39Å; R944-I948 PolarHBondContact O-N 2.83Å; R944-L989 HydrophobicContact CG-CD2 4.36Å; R944-L989 PolarHBondContact NH1-O 3.35Å; R944-T991 PolarHBondContact NH1-O 3.41Å; R944-D996 IonicContact CZ-OD2 3.49Å; R944-D996 IonicContact NH1-OD2 3.99Å; R944-D996 IonicContact NH2-OD1 3.04Å; R944-D996 IonicContact NH2-OD2 2.61Å; R944-D996 PolarHBondContact NH2-OD2 3.23Å
945	Q	85.9	Confident	86.3	Confident	73 Å²	73	57.3 Å²	57.3	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-35.7	177.9	-73.6	-172.5	-91	0	0	111.8	R941 L942 E943 S949	R941-Q945 HydrophobicContact CG-CG 4.43Å; R941-Q945 VanDerWaalsContact NE-OE1 3.11Å; R941-Q945 WeakPolarHBondContact O-CB 3.5Å; R941-Q945 VanDerWaalsContact O-CG 3.29Å; R941-Q945 WeakPolarHBondContact O-CG 3.17Å; R941-Q945 PolarHBondContact O-N 3.21Å; L942-Q945 PolarHBondContact O-N 2.97Å; E943-Q945 PolarHBondContact O-N 2.89Å; Q945-S949 PolarHBondContact O-N 2.86Å; Q945-S949 VanDerWaalsContact O-N 3.09Å
946	K	90.8	Very high	87	Confident	104 Å²	104	57.5 Å²	57.5	45%	0.452	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-50.8	171	165.3	170.3	154.9	-81.8	0	111.8	L942 E943 R944 I948 S949 E950	L942-K946 PolarHBondContact O-N 3.05Å; E943-K946 VanDerWaalsContact CD-NZ 3.26Å; E943-K946 WeakPolarHBondContact O-CB 3.31Å; E943-K946 PolarHBondContact O-N 3.36Å; E943-K946 IonicContact OE1-NZ 2.9Å; E943-K946 PolarHBondContact OE1-NZ 2.63Å; E943-K946 IonicContact OE2-NZ 3.61Å; E943-K946 PolarHBondContact OE2-NZ 2.96Å; R944-K946 VanDerWaalsContact C-N 3.29Å; R944-K946 PolarHBondContact O-N 3.33Å; K946-I948 VanDerWaalsContact C-N 3.34Å; K946-I948 PolarHBondContact O-N 3.31Å; K946-S949 WeakPolarHBondContact O-CB 3.45Å; K946-S949 PolarHBondContact O-N 2.92Å; K946-S949 VanDerWaalsContact O-N 3.09Å; K946-S949 PolarHBondContact O-OG 3.46Å; K946-E950 PolarHBondContact O-N 3.17Å
947	Q	89.8	Confident	87.7	Confident	69 Å²	69	63.2 Å²	63.2	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-40.3	179.1	-68.8	170	2.8	0	0	112.5	E943 R944 S949 E950 I951 L989	E943-Q947 VanDerWaalsContact O-CG 3.31Å; E943-Q947 WeakPolarHBondContact O-CG 3.33Å; E943-Q947 PolarHBondContact O-N 3.05Å; E943-Q947 PolarHBondContact OE1-NE2 3.33Å; R944-Q947 PolarHBondContact O-N 2.68Å; Q947-S949 PolarHBondContact O-N 2.88Å; Q947-E950 PolarHBondContact O-N 3.35Å; Q947-I951 WeakPolarHBondContact O-CG1 3.41Å; Q947-I951 PolarHBondContact O-N 2.93Å; Q947-L989 HydrophobicContact CB-CD1 3.65Å; Q947-L989 HydrophobicContact CB-CD2 4.44Å
948	I	89.8	Confident	88.1	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-48.7	171.9	-75.1	167.9	0	0	0	110.3	L933 R944 K946 E950 Q952 L986 L989 E990	L933-I948 HydrophobicContact CD1-CD1 3.82Å; L933-I948 HydrophobicContact CD2-CD1 4.3Å; R944-I948 WeakPolarHBondContact O-CB 3.23Å; R944-I948 WeakPolarHBondContact O-CG1 3.39Å; R944-I948 PolarHBondContact O-N 2.83Å; K946-I948 VanDerWaalsContact C-N 3.34Å; K946-I948 PolarHBondContact O-N 3.31Å; I948-E950 VanDerWaalsContact C-N 3.35Å; I948-E950 PolarHBondContact O-N 2.87Å; I948-Q952 WeakPolarHBondContact O-CB 3.48Å; I948-Q952 VanDerWaalsContact O-CG 3.3Å; I948-Q952 WeakPolarHBondContact O-CG 3.48Å; I948-Q952 PolarHBondContact O-N 2.92Å; I948-Q952 PolarHBondContact O-OE1 2.83Å; I948-L986 HydrophobicContact CB-CD1 4.36Å; I948-L986 HydrophobicContact CG1-CD1 4.22Å; I948-L986 HydrophobicContact CG2-CD1 3.87Å; I948-L989 HydrophobicContact CD1-CB 4.08Å; I948-L989 HydrophobicContact CG1-CB 3.63Å; I948-L989 HydrophobicContact CG1-CD1 3.96Å; I948-L989 HydrophobicContact CG1-CG 4.46Å; I948-E990 HydrophobicContact CD1-CG 4.24Å
949	S	89	Confident	88.7	Confident	33 Å²	33	61.6 Å²	61.6	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-38.6	178.8	77.9	0	0	0	0	113.4	T919 Q945 K946 Q947 Q952 I953	T919-S949 VanDerWaalsContact CG2-CB 3.46Å; Q945-S949 PolarHBondContact O-N 2.86Å; Q945-S949 VanDerWaalsContact O-N 3.09Å; K946-S949 WeakPolarHBondContact O-CB 3.45Å; K946-S949 PolarHBondContact O-N 2.92Å; K946-S949 VanDerWaalsContact O-N 3.09Å; K946-S949 PolarHBondContact O-OG 3.46Å; Q947-S949 PolarHBondContact O-N 2.88Å; S949-Q952 PolarHBondContact O-N 3.44Å; S949-I953 WeakPolarHBondContact O-CD1 3.24Å; S949-I953 VanDerWaalsContact O-CG1 3.25Å; S949-I953 WeakPolarHBondContact O-CG1 3.25Å; S949-I953 PolarHBondContact O-N 3.29Å
950	E	92.4	Very high	89	Confident	120 Å²	120	59.7 Å²	59.7	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-68.7	-45.7	-178.1	-173.2	162.7	-161.7	0	0	111.3	K946 Q947 I948 Q952 I953 E954	K946-E950 PolarHBondContact O-N 3.17Å; Q947-E950 PolarHBondContact O-N 3.35Å; I948-E950 VanDerWaalsContact C-N 3.35Å; I948-E950 PolarHBondContact O-N 2.87Å; E950-Q952 PolarHBondContact O-N 2.9Å; E950-I953 PolarHBondContact O-N 3.14Å; E950-E954 PolarHBondContact O-N 3.48Å
951	I	91.8	Very high	89.3	Confident	20 Å²	20	62 Å²	62	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-38.6	175.9	-70.9	178.7	0	0	0	111.7	Q947 E954 I955 L982 Q985 L986 L989	Q947-I951 WeakPolarHBondContact O-CG1 3.41Å; Q947-I951 PolarHBondContact O-N 2.93Å; I951-E954 PolarHBondContact O-N 3.46Å; I951-I955 HydrophobicContact CG2-CD1 3.98Å; I951-I955 WeakPolarHBondContact O-CG1 3.23Å; I951-I955 PolarHBondContact O-N 3.32Å; I951-L982 HydrophobicContact CG1-CD2 4.48Å; I951-L982 HydrophobicContact CG2-CB 4.05Å; I951-L982 HydrophobicContact CG2-CD2 4.13Å; I951-L982 WeakPolarHBondContact CG2-O 3.32Å; I951-Q985 HydrophobicContact CD1-CB 3.79Å; I951-L986 HydrophobicContact CG2-CB 4.15Å; I951-L989 HydrophobicContact CD1-CD1 3.75Å
952	Q	91.2	Very high	89.4	Confident	19 Å²	19	60.2 Å²	60.2	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-35.9	177.2	-72.7	162.6	-34	0	0	112	T919 I948 S949 E950 E954 I955 D956 L986	T919-Q952 VanDerWaalsContact C-CD 3.49Å; T919-Q952 VanDerWaalsContact C-NE2 3.25Å; T919-Q952 PolarHBondContact O-NE2 2.75Å; T919-Q952 PolarHBondContact O-OE1 3.01Å; I948-Q952 WeakPolarHBondContact O-CB 3.48Å; I948-Q952 VanDerWaalsContact O-CG 3.3Å; I948-Q952 WeakPolarHBondContact O-CG 3.48Å; I948-Q952 PolarHBondContact O-N 2.92Å; I948-Q952 PolarHBondContact O-OE1 2.83Å; S949-Q952 PolarHBondContact O-N 3.44Å; E950-Q952 PolarHBondContact O-N 2.9Å; Q952-E954 VanDerWaalsContact C-N 3.33Å; Q952-I955 PolarHBondContact O-N 3.25Å; Q952-D956 WeakPolarHBondContact O-CB 3.28Å; Q952-D956 PolarHBondContact O-N 2.93Å; Q952-L986 HydrophobicContact CG-CD1 3.95Å; Q952-L986 HydrophobicContact CG-CD2 3.86Å
953	I	92.5	Very high	89.3	Confident	88 Å²	88	64.8 Å²	64.8	45%	0.451	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-35.3	170.3	-70.4	164.8	0	0	0	111.5	S949 E950 K957	S949-I953 WeakPolarHBondContact O-CD1 3.24Å; S949-I953 VanDerWaalsContact O-CG1 3.25Å; S949-I953 WeakPolarHBondContact O-CG1 3.25Å; S949-I953 PolarHBondContact O-N 3.29Å; E950-I953 PolarHBondContact O-N 3.14Å; I953-K957 HydrophobicContact CG2-CD 4.22Å; I953-K957 WeakPolarHBondContact O-CD 3.49Å; I953-K957 VanDerWaalsContact O-CG 3.26Å; I953-K957 WeakPolarHBondContact O-CG 3.33Å; I953-K957 PolarHBondContact O-N 3.45Å; I953-K957 VanDerWaalsContact O-N 3.13Å
954	E	92.2	Very high	88.9	Confident	62 Å²	62	68.3 Å²	68.3	29%	0.29	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-43.8	174.5	-160.5	-172	147.9	0	0	112.1	E950 I951 Q952 D956 K957 L958 R978 L982	E950-E954 PolarHBondContact O-N 3.48Å; I951-E954 PolarHBondContact O-N 3.46Å; Q952-E954 VanDerWaalsContact C-N 3.33Å; E954-D956 VanDerWaalsContact C-N 3.33Å; E954-D956 PolarHBondContact O-N 3.21Å; E954-K957 PolarHBondContact O-N 2.66Å; E954-L958 HydrophobicContact CG-CD1 4.2Å; E954-L958 WeakPolarHBondContact O-CG 3.36Å; E954-L958 PolarHBondContact O-N 3.29Å; E954-R978 VanDerWaalsContact CD-NH2 3.3Å; E954-R978 IonicContact OE1-CZ 3.79Å; E954-R978 IonicContact OE1-NE 3.8Å; E954-R978 PolarHBondContact OE1-NE 3.45Å; E954-R978 IonicContact OE1-NH2 3.77Å; E954-R978 PolarHBondContact OE1-NH2 3.17Å; E954-R978 IonicContact OE2-NH2 3.86Å; E954-R978 PolarHBondContact OE2-NH2 3.02Å; E954-L982 HydrophobicContact CB-CD1 3.96Å; E954-L982 HydrophobicContact CB-CD2 4.37Å; E954-L982 HydrophobicContact CG-CD1 3.75Å; E954-L982 HydrophobicContact CG-CD2 4.43Å; E954-L982 WeakPolarHBondContact OE1-CD1 3.43Å; E954-L982 WeakPolarHBondContact OE2-CD2 3.42Å
955	I	92.3	Very high	88.3	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-46.9	173.6	-69.5	163.3	0	0	0	110.5	I951 Q952 K957 L958 E959 L982 K983 L986	I951-I955 HydrophobicContact CG2-CD1 3.98Å; I951-I955 WeakPolarHBondContact O-CG1 3.23Å; I951-I955 PolarHBondContact O-N 3.32Å; Q952-I955 PolarHBondContact O-N 3.25Å; I955-K957 PolarHBondContact O-N 2.8Å; I955-L958 PolarHBondContact O-N 3.04Å; I955-E959 HydrophobicContact CG2-CG 4.22Å; I955-E959 WeakPolarHBondContact O-CB 3.5Å; I955-E959 WeakPolarHBondContact O-CG 3.33Å; I955-E959 PolarHBondContact O-N 3.28Å; I955-L982 HydrophobicContact CD1-CB 3.92Å; I955-L982 HydrophobicContact CG1-CB 3.52Å; I955-L982 HydrophobicContact CG1-CD1 4.01Å; I955-L982 HydrophobicContact CG1-CG 4.41Å; I955-K983 HydrophobicContact CD1-CG 3.76Å; I955-K983 HydrophobicContact CG1-CG 4.44Å; I955-L986 HydrophobicContact CD1-CD2 4.33Å
956	D	90.9	Very high	87.4	Confident	58 Å²	58	70.4 Å²	70.4	31%	0.31	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-37.4	-176.8	-77.1	16.1	0	0	0	112.3	K921 Q952 E954 A960	K921-D956 VanDerWaalsContact CE-OD1 3.24Å; K921-D956 WeakPolarHBondContact CE-OD1 3.33Å; K921-D956 IonicContact NZ-OD1 3.87Å; K921-D956 PolarHBondContact NZ-OD1 3.03Å; K921-D956 IonicContact NZ-OD2 3.89Å; Q952-D956 WeakPolarHBondContact O-CB 3.28Å; Q952-D956 PolarHBondContact O-N 2.93Å; E954-D956 VanDerWaalsContact C-N 3.33Å; E954-D956 PolarHBondContact O-N 3.21Å; D956-A960 WeakPolarHBondContact O-CB 3.4Å; D956-A960 PolarHBondContact O-N 3.35Å
957	K	91.6	Very high	86.3	Confident	129 Å²	129	73.7 Å²	73.7	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-44.9	171.5	-73.4	166.2	-178.7	172.8	0	112	I953 E954 I955 A960 N961	I953-K957 HydrophobicContact CG2-CD 4.22Å; I953-K957 WeakPolarHBondContact O-CD 3.49Å; I953-K957 VanDerWaalsContact O-CG 3.26Å; I953-K957 WeakPolarHBondContact O-CG 3.33Å; I953-K957 PolarHBondContact O-N 3.45Å; I953-K957 VanDerWaalsContact O-N 3.13Å; E954-K957 PolarHBondContact O-N 2.66Å; I955-K957 PolarHBondContact O-N 2.8Å; K957-A960 WeakPolarHBondContact O-CB 3.5Å; K957-A960 PolarHBondContact O-N 3.09Å; K957-N961 PolarHBondContact O-N 3.35Å; K957-N961 PolarHBondContact O-OD1 2.92Å
958	L	89.8	Confident	85.6	Confident	32 Å²	32	74.2 Å²	74.2	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-70.3	-37.4	179.8	-68.2	166	0	0	0	112	E954 I955 A960 N961 L962 R978 I979 L982	E954-L958 HydrophobicContact CG-CD1 4.2Å; E954-L958 WeakPolarHBondContact O-CG 3.36Å; E954-L958 PolarHBondContact O-N 3.29Å; I955-L958 PolarHBondContact O-N 3.04Å; L958-A960 VanDerWaalsContact C-N 3.25Å; L958-A960 PolarHBondContact O-N 2.96Å; L958-N961 PolarHBondContact O-N 3.3Å; L958-L962 WeakPolarHBondContact O-CB 3.37Å; L958-L962 WeakPolarHBondContact O-CG 3.38Å; L958-L962 PolarHBondContact O-N 3.19Å; L958-R978 HydrophobicContact CD1-CB 4.09Å; L958-R978 HydrophobicContact CD1-CG 3.44Å; L958-R978 VanDerWaalsContact CD1-CG 3.44Å; L958-I979 HydrophobicContact CB-CD1 3.8Å; L958-I979 HydrophobicContact CB-CG1 3.57Å; L958-I979 HydrophobicContact CD1-CG1 4.17Å; L958-L982 HydrophobicContact CD1-CD1 3.49Å; L958-L982 VanDerWaalsContact CD1-CD1 3.49Å
959	E	90.3	Very high	85	Confident	46 Å²	46	78.3 Å²	78.3	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-67.6	-22.8	172.8	-75.1	-175.1	178.1	0	0	113.1	K921 I955 R963 I979 K983	K921-E959 IonicContact NZ-OE2 2.77Å; K921-E959 PolarHBondContact NZ-OE2 3.31Å; I955-E959 HydrophobicContact CG2-CG 4.22Å; I955-E959 WeakPolarHBondContact O-CB 3.5Å; I955-E959 WeakPolarHBondContact O-CG 3.33Å; I955-E959 PolarHBondContact O-N 3.28Å; E959-R963 WeakPolarHBondContact O-CD 3.23Å; E959-R963 WeakPolarHBondContact O-CG 3.41Å; E959-R963 PolarHBondContact O-NE 3.48Å; E959-I979 HydrophobicContact CG-CD1 3.87Å; E959-K983 WeakPolarHBondContact OE1-CE 3.49Å; E959-K983 IonicContact OE1-NZ 2.64Å; E959-K983 PolarHBondContact OE1-NZ 2.8Å
960	A	89.4	Confident	84.7	Confident	40 Å²	40	82.3 Å²	82.3	33%	0.331	42%	0.417	S	S	.	.	H	α-helix	trans	-76.9	-52.2	168.2	0	0	0	0	0	111.5	D956 K957 L958 L962 R963 E964	D956-A960 WeakPolarHBondContact O-CB 3.4Å; D956-A960 PolarHBondContact O-N 3.35Å; K957-A960 WeakPolarHBondContact O-CB 3.5Å; K957-A960 PolarHBondContact O-N 3.09Å; L958-A960 VanDerWaalsContact C-N 3.25Å; L958-A960 PolarHBondContact O-N 2.96Å; A960-L962 PolarHBondContact O-N 3.27Å; A960-L962 VanDerWaalsContact O-N 3.15Å; A960-R963 WeakPolarHBondContact O-CA 3.29Å; A960-R963 WeakPolarHBondContact O-CB 3.36Å; A960-R963 PolarHBondContact O-N 3.04Å; A960-E964 PolarHBondContact O-N 3.45Å
961	N	86.1	Confident	84.2	Confident	92 Å²	92	83.1 Å²	83.1	49%	0.492	42%	0.419	S	S	.	.	H	α-helix	trans	-55.4	-36.1	178.3	-65.6	-3.1	0	0	0	112.4	K957 L958 R963 E964 A965	K957-N961 PolarHBondContact O-N 3.35Å; K957-N961 PolarHBondContact O-OD1 2.92Å; L958-N961 PolarHBondContact O-N 3.3Å; N961-R963 VanDerWaalsContact C-N 3.29Å; N961-R963 PolarHBondContact O-N 3.4Å; N961-E964 PolarHBondContact O-N 2.96Å; N961-A965 WeakPolarHBondContact O-CB 3.5Å; N961-A965 PolarHBondContact O-N 2.96Å
962	L	85.7	Confident	83.8	Confident	42 Å²	42	83.9 Å²	83.9	22%	0.22	42%	0.423	C	S	.	.	H	α-helix	trans	-73.8	-10.6	175.7	-73.3	-170.1	0	0	0	115.2	L958 A960 L972 R976 I979	L958-L962 WeakPolarHBondContact O-CB 3.37Å; L958-L962 WeakPolarHBondContact O-CG 3.38Å; L958-L962 PolarHBondContact O-N 3.19Å; A960-L962 PolarHBondContact O-N 3.27Å; A960-L962 VanDerWaalsContact O-N 3.15Å; L962-L972 HydrophobicContact CD2-CB 4.47Å; L962-L972 HydrophobicContact CD2-CG 4.24Å; L962-R976 HydrophobicContact CD1-CG 3.72Å; L962-I979 HydrophobicContact CD1-CD1 3.45Å; L962-I979 VanDerWaalsContact CD1-CD1 3.45Å; L962-I979 HydrophobicContact CG-CD1 4.27Å
963	R	81.6	Confident	83.6	Confident	210 Å²	210	88.3 Å²	88.3	79%	0.792	44%	0.442	S	S	*	.	H	α-helix	trans	-87.5	-27.7	170.3	-67.9	164.2	-178.3	-111.8	-0.4	111.9	E959 A960 N961	E959-R963 WeakPolarHBondContact O-CD 3.23Å; E959-R963 WeakPolarHBondContact O-CG 3.41Å; E959-R963 PolarHBondContact O-NE 3.48Å; A960-R963 WeakPolarHBondContact O-CA 3.29Å; A960-R963 WeakPolarHBondContact O-CB 3.36Å; A960-R963 PolarHBondContact O-N 3.04Å; N961-R963 VanDerWaalsContact C-N 3.29Å; N961-R963 PolarHBondContact O-N 3.4Å
964	E	78.9	Confident	83.3	Confident	151 Å²	151	88.8 Å²	88.8	71%	0.706	44%	0.442	S	S	*	.	H	α-helix	trans	-89.7	-27.7	-179	-65.1	173.4	-169.4	0	0	112.3	A960 N961 T966	A960-E964 PolarHBondContact O-N 3.45Å; N961-E964 PolarHBondContact O-N 2.96Å; E964-T966 PolarHBondContact O-N 3.42Å; E964-T966 VanDerWaalsContact O-N 3.12Å
965	A	73	Confident	83.1	Confident	37 Å²	37	86.4 Å²	86.4	31%	0.306	43%	0.434	S	S	.	.			trans	-76.2	94.7	-179.3	0	0	0	0	0	113.2	N961	N961-A965 WeakPolarHBondContact O-CB 3.5Å; N961-A965 PolarHBondContact O-N 2.96Å
966	T	67.4	Low	83	Confident	114 Å²	114	93.5 Å²	93.5	70%	0.699	46%	0.461	S	S	*	.			trans	-93.2	-14.9	-176.7	50.3	0	0	0	0	116.3	E964	E964-T966 PolarHBondContact O-N 3.42Å; E964-T966 VanDerWaalsContact O-N 3.12Å
967	H	66	Low	83	Confident	174 Å²	174	98.7 Å²	98.7	81%	0.806	48%	0.476	S	S	*	.	S	Bend	trans	-130.2	-8.6	-168.8	-71.7	-68.5	0	0	0	117.5
968	D	75	Confident	83	Confident	79 Å²	79	97.3 Å²	97.3	42%	0.422	47%	0.467	S	S	.	.			trans	-107.8	87.1	-176.6	-81	-53.8	0	0	0	113.1	V970 K971 L972	D968-V970 PolarHBondContact O-N 3.02Å; D968-K971 HydrophobicContact CB-CB 3.86Å; D968-K971 HydrophobicContact CB-CD 3.69Å; D968-K971 HydrophobicContact CB-CG 3.83Å; D968-K971 PolarHBondContact O-N 3.12Å; D968-K971 VanDerWaalsContact O-N 3.11Å; D968-K971 IonicContact OD1-NZ 2.73Å; D968-K971 WeakPolarHBondContact OD2-CD 3.44Å; D968-K971 VanDerWaalsContact OD2-CE 3.28Å; D968-K971 WeakPolarHBondContact OD2-CE 3.26Å; D968-K971 IonicContact OD2-NZ 2.77Å; D968-K971 PolarHBondContact OD2-NZ 3.17Å; D968-L972 WeakPolarHBondContact O-CB 3.39Å; D968-L972 PolarHBondContact O-N 3.49Å
969	D	77.9	Confident	83.1	Confident	92 Å²	92	96.4 Å²	96.4	49%	0.492	46%	0.462	S	S	.	.	H	α-helix	trans	-59.9	-30.7	-175.8	-169.3	51.4	0	0	0	113.6	K973	D969-K973 WeakPolarHBondContact O-CB 3.29Å; D969-K973 WeakPolarHBondContact O-CD 3.5Å; D969-K973 VanDerWaalsContact O-CG 3.29Å; D969-K973 WeakPolarHBondContact O-CG 3.46Å; D969-K973 PolarHBondContact O-N 3.2Å; D969-K973 IonicContact OD1-NZ 3.51Å; D969-K973 WeakPolarHBondContact OD2-CE 3.35Å; D969-K973 IonicContact OD2-NZ 2.85Å; D969-K973 PolarHBondContact OD2-NZ 3.3Å
970	V	84	Confident	83	Confident	118 Å²	118	99 Å²	99	72%	0.715	48%	0.482	S	S	*	.	H	α-helix	trans	-69.5	-47	174.3	-179.3	0	0	0	0	111.7	D968 L972 K973 E974	D968-V970 PolarHBondContact O-N 3.02Å; V970-L972 VanDerWaalsContact C-N 3.27Å; V970-L972 PolarHBondContact O-N 3.34Å; V970-K973 PolarHBondContact O-N 3.17Å; V970-E974 PolarHBondContact O-N 2.98Å
971	K	80.8	Confident	83.1	Confident	137 Å²	137	99.6 Å²	99.6	60%	0.596	48%	0.477	S	S	*	.	H	α-helix	trans	-64.7	-35.7	177.3	-62.2	179.4	-167.6	159.2	0	110.9	D968 E974 G975	D968-K971 HydrophobicContact CB-CB 3.86Å; D968-K971 HydrophobicContact CB-CD 3.69Å; D968-K971 HydrophobicContact CB-CG 3.83Å; D968-K971 PolarHBondContact O-N 3.12Å; D968-K971 VanDerWaalsContact O-N 3.11Å; D968-K971 IonicContact OD1-NZ 2.73Å; D968-K971 WeakPolarHBondContact OD2-CD 3.44Å; D968-K971 VanDerWaalsContact OD2-CE 3.28Å; D968-K971 WeakPolarHBondContact OD2-CE 3.26Å; D968-K971 IonicContact OD2-NZ 2.77Å; D968-K971 PolarHBondContact OD2-NZ 3.17Å; K971-E974 PolarHBondContact O-N 3.16Å; K971-G975 PolarHBondContact O-N 3.31Å
972	L	84.5	Confident	83.4	Confident	35 Å²	35	95.2 Å²	95.2	18%	0.183	45%	0.454	C	S	.	.	H	α-helix	trans	-68.3	-37.4	178.2	-168.7	147.3	0	0	0	112	L962 D968 V970 R976	L962-L972 HydrophobicContact CD2-CB 4.47Å; L962-L972 HydrophobicContact CD2-CG 4.24Å; D968-L972 WeakPolarHBondContact O-CB 3.39Å; D968-L972 PolarHBondContact O-N 3.49Å; V970-L972 VanDerWaalsContact C-N 3.27Å; V970-L972 PolarHBondContact O-N 3.34Å; L972-R976 VanDerWaalsContact CD2-CZ 3.48Å; L972-R976 WeakPolarHBondContact O-CB 3.46Å; L972-R976 WeakPolarHBondContact O-CD 3.36Å; L972-R976 VanDerWaalsContact O-CG 3.22Å; L972-R976 WeakPolarHBondContact O-CG 3.33Å; L972-R976 PolarHBondContact O-N 3.14Å
973	K	85	Confident	83.7	Confident	113 Å²	113	96.8 Å²	96.8	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-66.8	-44.4	170.4	-75.1	163.1	-178.9	166.5	0	112.4	D969 V970 R976 R977	D969-K973 WeakPolarHBondContact O-CB 3.29Å; D969-K973 WeakPolarHBondContact O-CD 3.5Å; D969-K973 VanDerWaalsContact O-CG 3.29Å; D969-K973 WeakPolarHBondContact O-CG 3.46Å; D969-K973 PolarHBondContact O-N 3.2Å; D969-K973 IonicContact OD1-NZ 3.51Å; D969-K973 WeakPolarHBondContact OD2-CE 3.35Å; D969-K973 IonicContact OD2-NZ 2.85Å; D969-K973 PolarHBondContact OD2-NZ 3.3Å; V970-K973 PolarHBondContact O-N 3.17Å; K973-R976 PolarHBondContact O-N 3.22Å; K973-R977 WeakPolarHBondContact O-CG 3.37Å; K973-R977 PolarHBondContact O-N 3.16Å
974	E	87.7	Confident	83.9	Confident	97 Å²	97	93.9 Å²	93.9	45%	0.453	45%	0.448	S	S	.	.	H	α-helix	trans	-72.3	-39.2	-178.1	-164	52.8	-134.8	0	0	112.8	V970 K971 R976 R977 R978	V970-E974 PolarHBondContact O-N 2.98Å; K971-E974 PolarHBondContact O-N 3.16Å; E974-R976 VanDerWaalsContact C-N 3.29Å; E974-R976 PolarHBondContact O-N 3.46Å; E974-R977 WeakPolarHBondContact O-CB 3.43Å; E974-R977 PolarHBondContact O-N 3.06Å; E974-R977 VanDerWaalsContact O-N 3.15Å; E974-R977 WeakPolarHBondContact OE2-CD 3.34Å; E974-R977 IonicContact OE2-CZ 3.68Å; E974-R977 IonicContact OE2-NE 3.38Å; E974-R977 IonicContact OE2-NH1 2.72Å; E974-R977 PolarHBondContact OE2-NH1 2.77Å; E974-R978 PolarHBondContact O-N 2.96Å
975	G	88.3	Confident	84.4	Confident	13 Å²	13	89.8 Å²	89.8	13%	0.134	43%	0.429	C	S	.	.	H	α-helix	trans	-59.4	-39.2	171.2	0	0	0	0	0	112.5	K971 R978 I979	K971-G975 PolarHBondContact O-N 3.31Å; G975-R978 PolarHBondContact O-N 3.44Å; G975-I979 WeakPolarHBondContact O-CD1 3.45Å; G975-I979 VanDerWaalsContact O-CG1 3.29Å; G975-I979 WeakPolarHBondContact O-CG1 3.49Å; G975-I979 PolarHBondContact O-N 3.05Å
976	R	89.5	Confident	85.2	Confident	154 Å²	154	89.1 Å²	89.1	58%	0.581	42%	0.42	S	S	*	.	H	α-helix	trans	-64.1	-42.8	173.3	-75.2	173.8	179.3	-172	1.2	112.1	L962 L972 K973 E974 I979 V980	L962-R976 HydrophobicContact CD1-CG 3.72Å; L972-R976 VanDerWaalsContact CD2-CZ 3.48Å; L972-R976 WeakPolarHBondContact O-CB 3.46Å; L972-R976 WeakPolarHBondContact O-CD 3.36Å; L972-R976 VanDerWaalsContact O-CG 3.22Å; L972-R976 WeakPolarHBondContact O-CG 3.33Å; L972-R976 PolarHBondContact O-N 3.14Å; K973-R976 PolarHBondContact O-N 3.22Å; E974-R976 VanDerWaalsContact C-N 3.29Å; E974-R976 PolarHBondContact O-N 3.46Å; R976-I979 PolarHBondContact O-N 3.06Å; R976-V980 WeakPolarHBondContact O-CG2 3.44Å; R976-V980 PolarHBondContact O-N 3.21Å; R976-V980 VanDerWaalsContact O-N 3.12Å
977	R	90.2	Very high	86.1	Confident	167 Å²	167	88 Å²	88	63%	0.63	41%	0.413	S	S	*	.	H	α-helix	trans	-59.1	-48.8	174.2	-74.2	165.9	166.6	-179.6	-4.7	111.7	K973 E974 I979 V980 E981	K973-R977 WeakPolarHBondContact O-CG 3.37Å; K973-R977 PolarHBondContact O-N 3.16Å; E974-R977 WeakPolarHBondContact O-CB 3.43Å; E974-R977 PolarHBondContact O-N 3.06Å; E974-R977 VanDerWaalsContact O-N 3.15Å; E974-R977 WeakPolarHBondContact OE2-CD 3.34Å; E974-R977 IonicContact OE2-CZ 3.68Å; E974-R977 IonicContact OE2-NE 3.38Å; E974-R977 IonicContact OE2-NH1 2.72Å; E974-R977 PolarHBondContact OE2-NH1 2.77Å; R977-I979 VanDerWaalsContact C-N 3.34Å; R977-I979 PolarHBondContact O-N 3.23Å; R977-V980 PolarHBondContact O-N 3.22Å; R977-V980 VanDerWaalsContact O-N 3.13Å; R977-E981 PolarHBondContact O-N 3.18Å
978	R	91.4	Very high	86.9	Confident	100 Å²	100	82.8 Å²	82.8	38%	0.377	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-40.3	178.6	-175.6	64.1	-178.1	174.3	5.3	112.3	E954 L958 E974 G975 V980 E981 L982	E954-R978 VanDerWaalsContact CD-NH2 3.3Å; E954-R978 IonicContact OE1-CZ 3.79Å; E954-R978 IonicContact OE1-NE 3.8Å; E954-R978 PolarHBondContact OE1-NE 3.45Å; E954-R978 IonicContact OE1-NH2 3.77Å; E954-R978 PolarHBondContact OE1-NH2 3.17Å; E954-R978 IonicContact OE2-NH2 3.86Å; E954-R978 PolarHBondContact OE2-NH2 3.02Å; L958-R978 HydrophobicContact CD1-CB 4.09Å; L958-R978 HydrophobicContact CD1-CG 3.44Å; L958-R978 VanDerWaalsContact CD1-CG 3.44Å; E974-R978 PolarHBondContact O-N 2.96Å; G975-R978 PolarHBondContact O-N 3.44Å; R978-V980 VanDerWaalsContact C-N 3.35Å; R978-V980 PolarHBondContact O-N 3.14Å; R978-E981 PolarHBondContact O-N 3.1Å; R978-L982 HydrophobicContact CG-CD1 4.07Å; R978-L982 VanDerWaalsContact O-CG 3.29Å; R978-L982 WeakPolarHBondContact O-CG 3.34Å; R978-L982 PolarHBondContact O-N 2.77Å
979	I	91.5	Very high	87.4	Confident	13 Å²	13	80.1 Å²	80.1	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-62.7	-39	174.8	-71.3	163.7	0	0	0	112.1	L958 E959 L962 G975 R976 R977 K983	L958-I979 HydrophobicContact CB-CD1 3.8Å; L958-I979 HydrophobicContact CB-CG1 3.57Å; L958-I979 HydrophobicContact CD1-CG1 4.17Å; E959-I979 HydrophobicContact CG-CD1 3.87Å; L962-I979 HydrophobicContact CD1-CD1 3.45Å; L962-I979 VanDerWaalsContact CD1-CD1 3.45Å; L962-I979 HydrophobicContact CG-CD1 4.27Å; G975-I979 WeakPolarHBondContact O-CD1 3.45Å; G975-I979 VanDerWaalsContact O-CG1 3.29Å; G975-I979 WeakPolarHBondContact O-CG1 3.49Å; G975-I979 PolarHBondContact O-N 3.05Å; R976-I979 PolarHBondContact O-N 3.06Å; R977-I979 VanDerWaalsContact C-N 3.34Å; R977-I979 PolarHBondContact O-N 3.23Å; I979-K983 HydrophobicContact CG2-CD 3.88Å; I979-K983 VanDerWaalsContact CG2-NZ 3.34Å; I979-K983 WeakPolarHBondContact O-CB 3.45Å; I979-K983 VanDerWaalsContact O-CG 3.26Å; I979-K983 WeakPolarHBondContact O-CG 3.22Å; I979-K983 PolarHBondContact O-N 2.74Å
980	V	89.9	Confident	87.6	Confident	102 Å²	102	76.9 Å²	76.9	62%	0.618	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-43.3	175.5	171.9	0	0	0	0	110.9	R976 R977 R978 K983 R984	R976-V980 WeakPolarHBondContact O-CG2 3.44Å; R976-V980 PolarHBondContact O-N 3.21Å; R976-V980 VanDerWaalsContact O-N 3.12Å; R977-V980 PolarHBondContact O-N 3.22Å; R977-V980 VanDerWaalsContact O-N 3.13Å; R978-V980 VanDerWaalsContact C-N 3.35Å; R978-V980 PolarHBondContact O-N 3.14Å; V980-K983 PolarHBondContact O-N 2.88Å; V980-R984 PolarHBondContact O-N 3.3Å
981	E	91.5	Very high	87.3	Confident	52 Å²	52	74 Å²	74	24%	0.243	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-44.6	177.6	177.3	53.1	-156.2	0	0	112.4	R977 R978 K983 R984 Q985	R977-E981 PolarHBondContact O-N 3.18Å; R978-E981 PolarHBondContact O-N 3.1Å; E981-K983 VanDerWaalsContact C-N 3.33Å; E981-K983 PolarHBondContact O-N 2.81Å; E981-R984 WeakPolarHBondContact O-CB 3.36Å; E981-R984 PolarHBondContact O-N 3Å; E981-R984 IonicContact OE1-CZ 3.41Å; E981-R984 IonicContact OE1-NE 2.79Å; E981-R984 IonicContact OE1-NH2 3.8Å; E981-R984 PolarHBondContact OE1-NH2 3.05Å; E981-R984 IonicContact OE2-CZ 2.93Å; E981-R984 IonicContact OE2-NE 3.24Å; E981-R984 PolarHBondContact OE2-NE 3.03Å; E981-R984 IonicContact OE2-NH2 2.77Å; E981-R984 PolarHBondContact OE2-NH2 2.82Å; E981-Q985 WeakPolarHBondContact O-CG 3.42Å; E981-Q985 PolarHBondContact O-N 3.4Å; E981-Q985 PolarHBondContact OE1-NE2 3.13Å
982	L	92.1	Very high	86.9	Confident	0 Å²	0	69 Å²	69	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-37.8	175.9	-69.2	165.8	0	0	0	112.3	I951 E954 I955 L958 R978 R984 Q985 L986	I951-L982 HydrophobicContact CG1-CD2 4.48Å; I951-L982 HydrophobicContact CG2-CB 4.05Å; I951-L982 HydrophobicContact CG2-CD2 4.13Å; I951-L982 WeakPolarHBondContact CG2-O 3.32Å; E954-L982 HydrophobicContact CB-CD1 3.96Å; E954-L982 HydrophobicContact CB-CD2 4.37Å; E954-L982 HydrophobicContact CG-CD1 3.75Å; E954-L982 HydrophobicContact CG-CD2 4.43Å; E954-L982 WeakPolarHBondContact OE1-CD1 3.43Å; E954-L982 WeakPolarHBondContact OE2-CD2 3.42Å; I955-L982 HydrophobicContact CD1-CB 3.92Å; I955-L982 HydrophobicContact CG1-CB 3.52Å; I955-L982 HydrophobicContact CG1-CD1 4.01Å; I955-L982 HydrophobicContact CG1-CG 4.41Å; L958-L982 HydrophobicContact CD1-CD1 3.49Å; L958-L982 VanDerWaalsContact CD1-CD1 3.49Å; R978-L982 HydrophobicContact CG-CD1 4.07Å; R978-L982 VanDerWaalsContact O-CG 3.29Å; R978-L982 WeakPolarHBondContact O-CG 3.34Å; R978-L982 PolarHBondContact O-N 2.77Å; L982-R984 VanDerWaalsContact C-N 3.31Å; L982-R984 PolarHBondContact O-N 3.4Å; L982-Q985 PolarHBondContact O-N 3.47Å; L982-L986 WeakPolarHBondContact O-CB 3.07Å; L982-L986 PolarHBondContact O-N 3.15Å
983	K	90.9	Very high	86.3	Confident	74 Å²	74	72.6 Å²	72.6	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-67.1	-31.1	174.8	-75.1	171.4	-178.7	170.8	0	112.3	I955 E959 I979 V980 E981 V987	I955-K983 HydrophobicContact CD1-CG 3.76Å; I955-K983 HydrophobicContact CG1-CG 4.44Å; E959-K983 WeakPolarHBondContact OE1-CE 3.49Å; E959-K983 IonicContact OE1-NZ 2.64Å; E959-K983 PolarHBondContact OE1-NZ 2.8Å; I979-K983 HydrophobicContact CG2-CD 3.88Å; I979-K983 VanDerWaalsContact CG2-NZ 3.34Å; I979-K983 WeakPolarHBondContact O-CB 3.45Å; I979-K983 VanDerWaalsContact O-CG 3.26Å; I979-K983 WeakPolarHBondContact O-CG 3.22Å; I979-K983 PolarHBondContact O-N 2.74Å; V980-K983 PolarHBondContact O-N 2.88Å; E981-K983 VanDerWaalsContact C-N 3.33Å; E981-K983 PolarHBondContact O-N 2.81Å; K983-V987 WeakPolarHBondContact O-CG2 3.5Å; K983-V987 PolarHBondContact O-N 2.84Å
984	R	86.3	Confident	85.3	Confident	150 Å²	150	70.4 Å²	70.4	57%	0.566	33%	0.331	S	S	*	.	H	α-helix	trans	-63.3	-51.6	169.2	-177.1	175.1	71.6	144.8	7.5	111.1	V980 E981 L982 L986 V987 D988	V980-R984 PolarHBondContact O-N 3.3Å; E981-R984 WeakPolarHBondContact O-CB 3.36Å; E981-R984 PolarHBondContact O-N 3Å; E981-R984 IonicContact OE1-CZ 3.41Å; E981-R984 IonicContact OE1-NE 2.79Å; E981-R984 IonicContact OE1-NH2 3.8Å; E981-R984 PolarHBondContact OE1-NH2 3.05Å; E981-R984 IonicContact OE2-CZ 2.93Å; E981-R984 IonicContact OE2-NE 3.24Å; E981-R984 PolarHBondContact OE2-NE 3.03Å; E981-R984 IonicContact OE2-NH2 2.77Å; E981-R984 PolarHBondContact OE2-NH2 2.82Å; L982-R984 VanDerWaalsContact C-N 3.31Å; L982-R984 PolarHBondContact O-N 3.4Å; R984-L986 VanDerWaalsContact C-N 3.31Å; R984-L986 PolarHBondContact O-N 3.36Å; R984-V987 PolarHBondContact O-N 3.4Å; R984-V987 VanDerWaalsContact O-N 3.11Å; R984-D988 PolarHBondContact O-N 3.2Å; R984-D988 VanDerWaalsContact O-N 3.09Å
985	Q	89.4	Confident	84.1	Confident	65 Å²	65	66.4 Å²	66.4	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-37.6	179.8	-65.8	174.4	15.5	0	0	112.6	I951 E981 L982 V987 D988 L989	I951-Q985 HydrophobicContact CD1-CB 3.79Å; E981-Q985 WeakPolarHBondContact O-CG 3.42Å; E981-Q985 PolarHBondContact O-N 3.4Å; E981-Q985 PolarHBondContact OE1-NE2 3.13Å; L982-Q985 PolarHBondContact O-N 3.47Å; Q985-V987 VanDerWaalsContact C-N 3.35Å; Q985-V987 PolarHBondContact O-N 3.46Å; Q985-D988 PolarHBondContact O-N 2.92Å; Q985-L989 WeakPolarHBondContact O-CG 3.5Å; Q985-L989 PolarHBondContact O-N 3.38Å
986	L	90.1	Very high	83	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-42.1	174.1	179.2	59.7	0	0	0	112.5	I948 I951 Q952 I955 L982 R984 L989 E990	I948-L986 HydrophobicContact CB-CD1 4.36Å; I948-L986 HydrophobicContact CG1-CD1 4.22Å; I948-L986 HydrophobicContact CG2-CD1 3.87Å; I951-L986 HydrophobicContact CG2-CB 4.15Å; Q952-L986 HydrophobicContact CG-CD1 3.95Å; Q952-L986 HydrophobicContact CG-CD2 3.86Å; I955-L986 HydrophobicContact CD1-CD2 4.33Å; L982-L986 WeakPolarHBondContact O-CB 3.07Å; L982-L986 PolarHBondContact O-N 3.15Å; R984-L986 VanDerWaalsContact C-N 3.31Å; R984-L986 PolarHBondContact O-N 3.36Å; L986-L989 PolarHBondContact O-N 3.12Å; L986-E990 PolarHBondContact O-N 3.36Å
987	V	86.2	Confident	81.8	Confident	91 Å²	91	63.6 Å²	63.6	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-68.6	-38.3	177	173.2	0	0	0	0	111.7	K983 R984 Q985 L989 T991	K983-V987 WeakPolarHBondContact O-CG2 3.5Å; K983-V987 PolarHBondContact O-N 2.84Å; R984-V987 PolarHBondContact O-N 3.4Å; R984-V987 VanDerWaalsContact O-N 3.11Å; Q985-V987 VanDerWaalsContact C-N 3.35Å; Q985-V987 PolarHBondContact O-N 3.46Å; V987-L989 VanDerWaalsContact C-N 3.29Å; V987-L989 PolarHBondContact O-N 3.05Å; V987-T991 HydrophobicContact CG1-CG2 4.35Å; V987-T991 WeakPolarHBondContact O-CB 3.33Å; V987-T991 WeakPolarHBondContact O-CG2 3.37Å; V987-T991 PolarHBondContact O-N 3.17Å; V987-T991 PolarHBondContact O-OG1 3.4Å
988	D	82.8	Confident	80.3	Confident	63 Å²	63	60.6 Å²	60.6	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-32.5	173	-91.4	-60.5	0	0	0	112.8	R984 Q985 R993	R984-D988 PolarHBondContact O-N 3.2Å; R984-D988 VanDerWaalsContact O-N 3.09Å; Q985-D988 PolarHBondContact O-N 2.92Å; D988-R993 IonicContact OD1-CZ 2.75Å; D988-R993 IonicContact OD1-NH1 3.49Å; D988-R993 PolarHBondContact OD1-NH1 3.39Å; D988-R993 IonicContact OD1-NH2 2.75Å; D988-R993 PolarHBondContact OD1-NH2 2.83Å
989	L	85.3	Confident	78.5	Confident	24 Å²	24	61.9 Å²	61.9	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-78.6	-43.4	175.3	-68.3	176	0	0	0	113.2	R944 Q947 I948 I951 Q985 L986 V987 T991	R944-L989 HydrophobicContact CG-CD2 4.36Å; R944-L989 PolarHBondContact NH1-O 3.35Å; Q947-L989 HydrophobicContact CB-CD1 3.65Å; Q947-L989 HydrophobicContact CB-CD2 4.44Å; I948-L989 HydrophobicContact CD1-CB 4.08Å; I948-L989 HydrophobicContact CG1-CB 3.63Å; I948-L989 HydrophobicContact CG1-CD1 3.96Å; I948-L989 HydrophobicContact CG1-CG 4.46Å; I951-L989 HydrophobicContact CD1-CD1 3.75Å; Q985-L989 WeakPolarHBondContact O-CG 3.5Å; Q985-L989 PolarHBondContact O-N 3.38Å; L986-L989 PolarHBondContact O-N 3.12Å; V987-L989 VanDerWaalsContact C-N 3.29Å; V987-L989 PolarHBondContact O-N 3.05Å; L989-T991 VanDerWaalsContact C-N 3.27Å; L989-T991 PolarHBondContact O-N 3.25Å
990	E	82.6	Confident	76.4	Confident	23 Å²	23	63.7 Å²	63.7	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-29	176.7	-85	-158.8	-132.2	0	0	112.7	S925 S929 L933 I948 L986 V992	S925-E990 WeakPolarHBondContact CB-OE2 3.41Å; S925-E990 PolarHBondContact OG-OE2 3.18Å; S929-E990 WeakPolarHBondContact CB-OE2 3.47Å; S929-E990 PolarHBondContact OG-OE2 3.38Å; L933-E990 HydrophobicContact CD1-CG 4.39Å; I948-E990 HydrophobicContact CD1-CG 4.24Å; L986-E990 PolarHBondContact O-N 3.36Å; E990-V992 PolarHBondContact O-N 2.69Å
991	T	77.9	Confident	74.2	Confident	57 Å²	57	66.3 Å²	66.3	35%	0.35	33%	0.329	S	S	.	.	S	Bend	trans	-82.6	113.2	177.7	54.1	0	0	0	0	111.6	R944 V987 L989 R993	R944-T991 PolarHBondContact NH1-O 3.41Å; V987-T991 HydrophobicContact CG1-CG2 4.35Å; V987-T991 WeakPolarHBondContact O-CB 3.33Å; V987-T991 WeakPolarHBondContact O-CG2 3.37Å; V987-T991 PolarHBondContact O-N 3.17Å; V987-T991 PolarHBondContact O-OG1 3.4Å; L989-T991 VanDerWaalsContact C-N 3.27Å; L989-T991 PolarHBondContact O-N 3.25Å; T991-R993 PolarHBondContact O-N 3.47Å
992	V	72.6	Confident	71.7	Confident	33 Å²	33	71.1 Å²	71.1	20%	0.2	36%	0.357	C	S	.	.			trans	-86.5	106.1	172.6	-177.7	0	0	0	0	109.3	A932 L933 L936 E990 D996 M997	A932-V992 VanDerWaalsContact C-CG2 3.49Å; A932-V992 HydrophobicContact CB-CB 4.02Å; A932-V992 HydrophobicContact CB-CG2 4Å; A932-V992 WeakPolarHBondContact O-CG2 3.49Å; L933-V992 HydrophobicContact CD2-CG2 4Å; L933-V992 HydrophobicContact CG-CG2 4.38Å; L936-V992 HydrophobicContact CD1-CG1 4.35Å; L936-V992 HydrophobicContact CD1-CG2 3.73Å; L936-V992 HydrophobicContact CD2-CG1 3.77Å; L936-V992 HydrophobicContact CG-CG1 3.91Å; L936-V992 HydrophobicContact CG-CG2 3.97Å; E990-V992 PolarHBondContact O-N 2.69Å; V992-D996 HydrophobicContact CG1-CB 4.26Å; V992-M997 HydrophobicContact CG1-CG 4.47Å
993	R	71.4	Confident	69.2	Low	110 Å²	110	77.1 Å²	77.1	42%	0.415	39%	0.394	S	S	.	.			trans	-80.2	145.3	173.2	-64.1	172.5	171.7	134.8	6.2	108.4	D988 T991 S995 D996	D988-R993 IonicContact OD1-CZ 2.75Å; D988-R993 IonicContact OD1-NH1 3.49Å; D988-R993 PolarHBondContact OD1-NH1 3.39Å; D988-R993 IonicContact OD1-NH2 2.75Å; D988-R993 PolarHBondContact OD1-NH2 2.83Å; T991-R993 PolarHBondContact O-N 3.47Å; R993-S995 VanDerWaalsContact CB-OG 3.23Å; R993-S995 WeakPolarHBondContact CB-OG 3.33Å; R993-S995 PolarHBondContact O-N 3.4Å; R993-D996 PolarHBondContact N-OD2 3.41Å; R993-D996 WeakPolarHBondContact O-CB 3.24Å; R993-D996 PolarHBondContact O-N 3.03Å
994	P	62.8	Low	66.7	Low	68 Å²	68	78.7 Å²	78.7	44%	0.442	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.2	177.7	-32.4	40.3	0	0	0	116.1	D996 F998 T1020	P994-D996 PolarHBondContact O-N 3.38Å; P994-F998 WeakPolarHBondContact O-CD2 3.42Å; P994-F998 WeakPolarHBondContact O-CE2 3.19Å; P994-T1020 HydrophobicContact CB-CG2 3.93Å; P994-T1020 HydrophobicContact CG-CG2 3.51Å
995	S	64.3	Low	64.1	Low	13 Å²	13	75.4 Å²	75.4	9%	0.091	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-41.2	163.5	35.5	0	0	0	0	112.6	R993 M997 F998	R993-S995 VanDerWaalsContact CB-OG 3.23Å; R993-S995 WeakPolarHBondContact CB-OG 3.33Å; R993-S995 PolarHBondContact O-N 3.4Å; S995-M997 PolarHBondContact O-N 3.14Å; S995-F998 PolarHBondContact O-N 2.89Å
996	D	65	Low	61.5	Low	11 Å²	11	78.8 Å²	78.8	6%	0.059	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.1	-163.1	-45.2	-14	0	0	0	111	L936 R944 V992 R993 P994	L936-D996 HydrophobicContact CD2-CB 3.95Å; R944-D996 IonicContact CZ-OD2 3.49Å; R944-D996 IonicContact NH1-OD2 3.99Å; R944-D996 IonicContact NH2-OD1 3.04Å; R944-D996 IonicContact NH2-OD2 2.61Å; R944-D996 PolarHBondContact NH2-OD2 3.23Å; V992-D996 HydrophobicContact CG1-CB 4.26Å; R993-D996 PolarHBondContact N-OD2 3.41Å; R993-D996 WeakPolarHBondContact O-CB 3.24Å; R993-D996 PolarHBondContact O-N 3.03Å; P994-D996 PolarHBondContact O-N 3.38Å
997	M	63.5	Low	58.9	Low	97 Å²	97	82 Å²	82	48%	0.478	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.1	172.3	-55	-156	79.9	0	0	113.7	A935 V992 S995	A935-M997 HydrophobicContact CB-CE 4.12Å; A935-M997 VanDerWaalsContact O-CE 3.24Å; A935-M997 WeakPolarHBondContact O-CE 3.42Å; V992-M997 HydrophobicContact CG1-CG 4.47Å; S995-M997 PolarHBondContact O-N 3.14Å
998	F	58.1	Low	56.4	Low	104 Å²	104	84.3 Å²	84.3	46%	0.456	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-11.8	-178.1	-70.5	-72.3	0	0	0	114.2	P994 S995 S1000 R1017	P994-F998 WeakPolarHBondContact O-CD2 3.42Å; P994-F998 WeakPolarHBondContact O-CE2 3.19Å; S995-F998 PolarHBondContact O-N 2.89Å; F998-S1000 PolarHBondContact O-N 3.43Å; F998-S1000 VanDerWaalsContact O-N 3.14Å; F998-R1017 VanDerWaalsContact CD2-NH1 3.33Å
999	L	53.8	Low	53.9	Low	127 Å²	127	84.1 Å²	84.1	67%	0.665	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-1.3	-176	-78.4	163.4	0	0	0	114.7	I940	I940-L999 HydrophobicContact CD1-CB 4.45Å
1000	S	48.5	Very low	51.4	Low	51 Å²	51	90.1 Å²	90.1	36%	0.357	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	12.6	-173.2	-167.1	0	0	0	0	115.2	F998	F998-S1000 PolarHBondContact O-N 3.43Å; F998-S1000 VanDerWaalsContact O-N 3.14Å
1001	Q	43.4	Very low	49.1	Very low	156 Å²	156	96.3 Å²	96.3	73%	0.729	58%	0.582	S	S	*	*	S	Bend	trans	-103.6	-8	-179.4	-66.9	-167.7	-54.3	0	0	114.8
1002	N	38.3	Very low	46.8	Very low	153 Å²	153	98.3 Å²	98.3	82%	0.818	60%	0.604	S	S	*	*			trans	-110.8	34.1	-170.7	-70.9	36.4	0	0	0	113.7
1003	T	39.2	Very low	44.9	Very low	126 Å²	126	101.2 Å²	101.2	77%	0.773	63%	0.632	S	S	*	*			trans	-122.9	51.1	179.1	61.3	0	0	0	0	112.6
1004	S	39.6	Very low	43	Very low	108 Å²	108	107.1 Å²	107.1	76%	0.755	66%	0.655	S	S	*	*	S	Bend	trans	-152	95.7	170.1	58.9	0	0	0	0	111.7
1005	G	32.3	Very low	41.8	Very low	81 Å²	81	109.4 Å²	109.4	84%	0.835	67%	0.67	S	S	*	*	S	Bend	trans	71.3	68.9	156.7	0	0	0	0	0	118.6
1006	C	32.9	Very low	40.2	Very low	136 Å²	136	115.5 Å²	115.5	92%	0.919	70%	0.702	S	S	*	*			trans	-138.3	151.4	149.4	-93.7	0	0	0	0	109.4
1007	A	35.9	Very low	38.9	Very low	90 Å²	90	122.6 Å²	122.6	74%	0.744	73%	0.728	S	S	*	*			trans	-78.9	153.8	-172.5	0	0	0	0	0	113.2	G1009	A1007-G1009 PolarHBondContact O-N 3.37Å
1008	P	33.4	Very low	37.5	Very low	140 Å²	140	121.2 Å²	121.2	91%	0.909	73%	0.725	S	S	*	*	S	Bend	trans	-80.6	95.3	176.3	32.4	-32.9	0	0	0	110.8
1009	G	31.4	Very low	36.7	Very low	58 Å²	58	121.2 Å²	121.2	60%	0.598	73%	0.726	S	S	*	*			trans	-160.3	132.5	174.1	0	0	0	0	0	111	A1007	A1007-G1009 PolarHBondContact O-N 3.37Å
1010	D	33.3	Very low	36	Very low	151 Å²	151	119.9 Å²	119.9	81%	0.807	72%	0.723	S	S	*	*	S	Bend	trans	62.6	144.6	169.2	-51.6	-34.4	0	0	0	119.6
1011	N	33.1	Very low	36.1	Very low	153 Å²	153	126.4 Å²	126.4	82%	0.818	75%	0.745	S	S	*	*			trans	69.4	99.5	170.9	-55.1	-63.4	0	0	0	117.7
1012	A	30	Very low	36.7	Very low	99 Å²	99	127.1 Å²	127.1	82%	0.818	75%	0.753	S	S	*	*			trans	-67.3	177.1	157.3	0	0	0	0	0	112.1
1013	A	32.3	Very low	38	Very low	94 Å²	94	122 Å²	122	78%	0.777	73%	0.725	S	S	*	*			trans	75.3	69.4	173.3	0	0	0	0	0	117.9
1014	Y	31.6	Very low	39.7	Very low	234 Å²	234	125.4 Å²	125.4	92%	0.918	73%	0.73	S	S	*	*			trans	-102.6	113.6	145.8	-77.9	-72.4	0	0	0	109.9
1015	P	37.5	Very low	41.8	Very low	115 Å²	115	125.3 Å²	125.3	75%	0.747	71%	0.713	S	S	*	*			trans	-80	153.2	-168	30.5	-35.8	0	0	0	114	R1017	P1015-R1017 PolarHBondContact O-N 3.09Å; P1015-R1017 VanDerWaalsContact O-N 3.1Å
1016	N	31.2	Very low	44.4	Very low	141 Å²	141	124.8 Å²	124.8	75%	0.754	70%	0.695	S	S	*	*			trans	-43.2	110.4	176.4	-79.9	-55.4	0	0	0	113.8	T1018	N1016-T1018 PolarHBondContact O-N 3.4Å
1017	R	37	Very low	47.1	Very low	161 Å²	161	121.1 Å²	121.1	61%	0.608	66%	0.662	S	S	*	*			trans	-77.4	20.7	175.6	-156.4	-178.9	170.4	-165.5	-6.2	113.4	F998 P1015 Q1019	F998-R1017 VanDerWaalsContact CD2-NH1 3.33Å; P1015-R1017 PolarHBondContact O-N 3.09Å; P1015-R1017 VanDerWaalsContact O-N 3.1Å; R1017-Q1019 PolarHBondContact O-N 3.36Å
1018	T	33.9	Very low	49.8	Very low	67 Å²	67	118.3 Å²	118.3	41%	0.411	64%	0.635	S	S	.	*			trans	-75.7	56.7	-177.5	46.7	0	0	0	0	112.2	N1016	N1016-T1018 PolarHBondContact O-N 3.4Å
1019	Q	42	Very low	52.6	Low	105 Å²	105	111.6 Å²	111.6	49%	0.491	59%	0.592	S	S	.	*			trans	-148.5	100.7	-179.7	-126.4	159.9	98.1	0	0	113.1	R1017 K1021 R1027	R1017-Q1019 PolarHBondContact O-N 3.36Å; Q1019-K1021 PolarHBondContact O-N 2.91Å; Q1019-R1027 VanDerWaalsContact CD-NH2 3.26Å
1020	T	40	Very low	55.5	Low	98 Å²	98	110.7 Å²	110.7	60%	0.601	57%	0.571	S	S	*	*	S	Bend	trans	-79.6	105.7	166.8	47.5	0	0	0	0	109.9	P994	P994-T1020 HydrophobicContact CB-CG2 3.93Å; P994-T1020 HydrophobicContact CG-CG2 3.51Å
1021	K	50.7	Low	58.3	Low	189 Å²	189	103.5 Å²	103.5	82%	0.822	53%	0.532	S	S	*	.	S	Bend	trans	88.1	146.6	-177.2	-52.6	168.5	-176.1	171.2	0	114.4	Q1019 D1023	Q1019-K1021 PolarHBondContact O-N 2.91Å; K1021-D1023 PolarHBondContact O-N 2.88Å
1022	L	55.2	Low	60.9	Low	171 Å²	171	96.3 Å²	96.3	90%	0.895	49%	0.494	S	S	*	.			trans	-88.6	64.4	-168.2	-67.7	156.7	0	0	0	112	K1024	L1022-K1024 PolarHBondContact O-N 3.03Å
1023	D	65.7	Low	63.4	Low	44 Å²	44	93.1 Å²	93.1	24%	0.235	47%	0.47	C	S	.	.			trans	-88.5	100.9	174.9	-158	-14.7	0	0	0	112	K1021 R1025 R1027 R1076	K1021-D1023 PolarHBondContact O-N 2.88Å; D1023-R1025 VanDerWaalsContact OD1-CB 3.26Å; D1023-R1025 WeakPolarHBondContact OD1-CB 3.48Å; D1023-R1025 VanDerWaalsContact OD1-CG 3.22Å; D1023-R1025 WeakPolarHBondContact OD1-CG 3.09Å; D1023-R1025 IonicContact OD1-CZ 2.62Å; D1023-R1025 PolarHBondContact OD1-N 3.07Å; D1023-R1025 IonicContact OD1-NE 3.74Å; D1023-R1025 PolarHBondContact OD1-NE 2.81Å; D1023-R1025 IonicContact OD1-NH2 2.68Å; D1023-R1025 IonicContact OD2-CZ 3.19Å; D1023-R1025 IonicContact OD2-NE 3.63Å; D1023-R1025 PolarHBondContact OD2-NE 3.07Å; D1023-R1025 IonicContact OD2-NH2 3.75Å; D1023-R1025 PolarHBondContact OD2-NH2 3.47Å; D1023-R1027 PolarHBondContact O-NH2 3.45Å; D1023-R1027 VanDerWaalsContact O-NH2 3.14Å; D1023-R1076 WeakPolarHBondContact OD2-CG 3.4Å
1024	K	74.8	Confident	65.9	Low	198 Å²	198	89.1 Å²	89.1	86%	0.861	44%	0.436	S	S	*	.			trans	-85.3	0.9	177.2	-67.5	-168.3	173.7	-168.2	0	113.9	L1022	L1022-K1024 PolarHBondContact O-N 3.03Å
1025	R	83	Confident	68.4	Low	106 Å²	106	82.8 Å²	82.8	40%	0.4	42%	0.415	S	S	.	.	S	Bend	trans	-72.6	147.7	-178.5	-61.7	177.3	-62.5	148.6	4.8	110.8	D1023 R1076 E1080	D1023-R1025 VanDerWaalsContact OD1-CB 3.26Å; D1023-R1025 WeakPolarHBondContact OD1-CB 3.48Å; D1023-R1025 VanDerWaalsContact OD1-CG 3.22Å; D1023-R1025 WeakPolarHBondContact OD1-CG 3.09Å; D1023-R1025 IonicContact OD1-CZ 2.62Å; D1023-R1025 PolarHBondContact OD1-N 3.07Å; D1023-R1025 IonicContact OD1-NE 3.74Å; D1023-R1025 PolarHBondContact OD1-NE 2.81Å; D1023-R1025 IonicContact OD1-NH2 2.68Å; D1023-R1025 IonicContact OD2-CZ 3.19Å; D1023-R1025 IonicContact OD2-NE 3.63Å; D1023-R1025 PolarHBondContact OD2-NE 3.07Å; D1023-R1025 IonicContact OD2-NH2 3.75Å; D1023-R1025 PolarHBondContact OD2-NH2 3.47Å; R1025-R1076 HydrophobicContact CB-CG 4.11Å; R1025-E1080 IonicContact CZ-OE1 2.85Å; R1025-E1080 IonicContact NH1-OE1 3.19Å; R1025-E1080 PolarHBondContact NH1-OE1 2.92Å; R1025-E1080 IonicContact NH2-OE1 2.73Å
1026	P	87.6	Confident	70.5	Confident	71 Å²	71	81.6 Å²	81.6	46%	0.461	41%	0.409	S	S	.	.			trans	-61.1	143.3	-175.4	23.7	-34.2	0	0	0	112.3	R1076 F1098	P1026-R1076 WeakPolarHBondContact O-CD 3.22Å; P1026-R1076 PolarHBondContact O-NH1 2.81Å; P1026-F1098 HydrophobicContact CG-CB 4.03Å; P1026-F1098 HydrophobicContact CG-CD1 4.31Å; P1026-F1098 HydrophobicContact CG-CG 4.42Å
1027	R	89.5	Confident	73	Confident	58 Å²	58	81.5 Å²	81.5	22%	0.219	41%	0.409	C	S	.	.			trans	-109.8	-8.4	-179.1	-53.2	-177.2	-171.9	169.2	12.8	113.5	Q1019 D1023 F1073 C1074 R1076	Q1019-R1027 VanDerWaalsContact CD-NH2 3.26Å; D1023-R1027 PolarHBondContact O-NH2 3.45Å; D1023-R1027 VanDerWaalsContact O-NH2 3.14Å; R1027-F1073 WeakPolarHBondContact CB-O 3.39Å; R1027-F1073 PolarHBondContact O-N 3.19Å; R1027-C1074 PolarHBondContact NH1-O 2.9Å; R1027-R1076 HydrophobicContact CG-CB 4.39Å
1028	T	92.2	Very high	75.3	Confident	31 Å²	31	74.5 Å²	74.5	19%	0.19	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.2	175.9	-50.3	0	0	0	0	109.4	Y1030 E1070 V1071 T1072 F1098	T1028-Y1030 HydrophobicContact CG2-CE1 4.36Å; T1028-Y1030 HydrophobicContact CG2-CE2 4.19Å; T1028-E1070 HydrophobicContact CG2-CG 3.53Å; T1028-V1071 CarbonylContact C-O 3.59Å; T1028-V1071 WeakPolarHBondContact CA-O 3.4Å; T1028-T1072 WeakPolarHBondContact CG2-OG1 3.42Å; T1028-T1072 PolarHBondContact OG1-OG1 3Å; T1028-F1098 WeakPolarHBondContact O-CD1 3.28Å
1029	L	93.2	Very high	77.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.7	171.9	-80.5	172.6	0	0	0	109.9	I1031 E1070 V1071 F1073 A1079 A1082 I1083 F1098	L1029-I1031 HydrophobicContact CB-CG1 4.39Å; L1029-E1070 WeakPolarHBondContact O-CA 3.17Å; L1029-V1071 PolarHBondContact N-O 3.19Å; L1029-V1071 PolarHBondContact O-N 2.86Å; L1029-F1073 HydrophobicContact CB-CE2 4.35Å; L1029-F1073 HydrophobicContact CD1-CD2 4.42Å; L1029-F1073 HydrophobicContact CD1-CE2 3.88Å; L1029-F1073 HydrophobicContact CG-CE2 4.45Å; L1029-A1079 HydrophobicContact CD1-CB 3.9Å; L1029-A1079 WeakPolarHBondContact CD1-O 3.42Å; L1029-A1079 HydrophobicContact CG-CB 4.23Å; L1029-A1082 HydrophobicContact CD1-CB 4.21Å; L1029-I1083 HydrophobicContact CD1-CD1 4.24Å; L1029-I1083 HydrophobicContact CD1-CG1 3.92Å; L1029-I1083 HydrophobicContact CD2-CD1 3.9Å; L1029-I1083 HydrophobicContact CD2-CG1 4.23Å; L1029-F1098 HydrophobicContact CD1-CE1 4.32Å; L1029-F1098 HydrophobicContact CD1-CZ 4.45Å; L1029-F1098 HydrophobicContact CD2-CD1 3.49Å; L1029-F1098 VanDerWaalsContact CD2-CD1 3.49Å; L1029-F1098 HydrophobicContact CD2-CD2 4.07Å; L1029-F1098 HydrophobicContact CD2-CE1 3.46Å; L1029-F1098 VanDerWaalsContact CD2-CE1 3.46Å; L1029-F1098 HydrophobicContact CD2-CE2 4.05Å; L1029-F1098 HydrophobicContact CD2-CG 3.8Å; L1029-F1098 HydrophobicContact CD2-CZ 3.75Å; L1029-F1098 HydrophobicContact CG-CD1 4.03Å; L1029-F1098 HydrophobicContact CG-CE1 3.72Å; L1029-F1098 HydrophobicContact CG-CZ 4.23Å
1030	Y	92.2	Very high	79.9	Confident	38 Å²	38	74.3 Å²	74.3	15%	0.149	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.3	167.9	-58.5	-78.2	0	0	0	107.6	T1028 V1068 E1070 M1096 S1097 Y1100	T1028-Y1030 HydrophobicContact CG2-CE1 4.36Å; T1028-Y1030 HydrophobicContact CG2-CE2 4.19Å; Y1030-V1068 HydrophobicContact CD1-CG1 4.17Å; Y1030-E1070 HydrophobicContact CD1-CB 4.04Å; Y1030-E1070 HydrophobicContact CD1-CG 4.17Å; Y1030-E1070 HydrophobicContact CE1-CB 3.87Å; Y1030-E1070 HydrophobicContact CE1-CG 3.56Å; Y1030-E1070 WeakPolarHBondContact CE1-OE1 3.48Å; Y1030-E1070 PolarHBondContact OH-OE1 3.36Å; Y1030-M1096 WeakPolarHBondContact O-CA 3.33Å; Y1030-S1097 PolarHBondContact N-O 3.31Å; Y1030-S1097 PolarHBondContact O-N 3.04Å; Y1030-Y1100 AromaticContact CD1-CD2 3.69Å; Y1030-Y1100 HydrophobicContact CD1-CD2 3.69Å; Y1030-Y1100 HydrophobicContact CD1-CE2 4.36Å; Y1030-Y1100 AromaticContact CE1-CD2 3.75Å; Y1030-Y1100 HydrophobicContact CE1-CD2 3.75Å; Y1030-Y1100 HydrophobicContact CG-CD2 4.24Å
1031	I	90.9	Very high	82.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.6	-172.1	-50.9	174.5	0	0	0	108.5	L1029 I1034 F1042 L1069 V1071 L1094 Q1095 M1096	L1029-I1031 HydrophobicContact CB-CG1 4.39Å; I1031-I1034 HydrophobicContact CG2-CD1 3.71Å; I1031-I1034 HydrophobicContact CG2-CG1 4.22Å; I1031-F1042 HydrophobicContact CD1-CE1 3.49Å; I1031-F1042 VanDerWaalsContact CD1-CE1 3.49Å; I1031-F1042 HydrophobicContact CD1-CZ 3.72Å; I1031-L1069 HydrophobicContact CB-CB 4.3Å; I1031-L1069 PolarHBondContact N-O 2.94Å; I1031-L1069 PolarHBondContact O-N 2.66Å; I1031-V1071 HydrophobicContact CD1-CB 4.37Å; I1031-V1071 HydrophobicContact CD1-CG2 3.76Å; I1031-L1094 HydrophobicContact CG2-CD1 4.35Å; I1031-Q1095 WeakPolarHBondContact CA-O 3.49Å; I1031-M1096 HydrophobicContact CD1-CE 4.06Å; I1031-M1096 HydrophobicContact CD1-SD 4.37Å; I1031-M1096 HydrophobicContact CG1-CE 4.42Å; I1031-M1096 HydrophobicContact CG1-CG 4.08Å; I1031-M1096 HydrophobicContact CG1-SD 4.41Å; I1031-M1096 HydrophobicContact CG2-CE 4.09Å; I1031-M1096 HydrophobicContact CG2-CG 4.13Å
1032	T	88.2	Confident	84.1	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.5	174.8	47.6	0	0	0	0	110.7	Q1066 V1068 Q1095 P1101	T1032-Q1066 HydrophobicContact CG2-CG 4.45Å; T1032-V1068 HydrophobicContact CG2-CG1 4.41Å; T1032-V1068 HydrophobicContact CG2-CG2 3.97Å; T1032-Q1095 PolarHBondContact N-O 2.83Å; T1032-Q1095 PolarHBondContact O-N 3.42Å; T1032-Q1095 WeakPolarHBondContact OG1-CB 3.42Å; T1032-Q1095 PolarHBondContact OG1-O 3.26Å; T1032-Q1095 PolarHBondContact OG1-OE1 3.05Å; T1032-P1101 HydrophobicContact CG2-CG 4.02Å
1033	G	83.1	Confident	85.7	Confident	31 Å²	31	60 Å²	60	32%	0.32	31%	0.306	S	S	.	.	S	Bend	trans	100	5	-175.2	0	0	0	0	0	115.2
1034	I	85.2	Confident	86.7	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.051	32%	0.319	C	S	.	.			trans	-92.6	134.4	172.1	-67	178.8	0	0	0	109.6	I1031 D1038 V1039 F1042 L1067 L1069 L1094	I1031-I1034 HydrophobicContact CG2-CD1 3.71Å; I1031-I1034 HydrophobicContact CG2-CG1 4.22Å; I1034-D1038 HydrophobicContact CG2-CB 4.12Å; I1034-V1039 HydrophobicContact CG2-CG2 3.78Å; I1034-F1042 HydrophobicContact CD1-CB 4.19Å; I1034-F1042 HydrophobicContact CD1-CD1 3.74Å; I1034-F1042 HydrophobicContact CD1-CD2 4.09Å; I1034-F1042 HydrophobicContact CD1-CE1 4.13Å; I1034-F1042 HydrophobicContact CD1-CE2 4.46Å; I1034-F1042 HydrophobicContact CD1-CG 3.72Å; I1034-F1042 HydrophobicContact CD1-CZ 4.49Å; I1034-L1067 HydrophobicContact CB-CD2 4.41Å; I1034-L1067 HydrophobicContact CG2-CD2 4.39Å; I1034-L1069 HydrophobicContact CD1-CD2 4.04Å; I1034-L1094 HydrophobicContact CD1-CD1 4.37Å; I1034-L1094 HydrophobicContact CD1-CD2 4.4Å; I1034-L1094 HydrophobicContact CG1-CD1 4.42Å; I1034-L1094 HydrophobicContact CG1-CD2 3.6Å
1035	E	83.6	Confident	87.5	Confident	102 Å²	102	53.9 Å²	53.9	48%	0.477	29%	0.285	S	S	.	.			trans	-85.7	155.7	168.1	-80.7	168.3	-142.7	0	0	110.9	D1037 D1038 R1092	E1035-D1037 PolarHBondContact O-N 3.11Å; E1035-D1037 VanDerWaalsContact O-N 3.14Å; E1035-D1038 PolarHBondContact O-N 3.03Å; E1035-R1092 VanDerWaalsContact CD-CZ 3.45Å; E1035-R1092 IonicContact OE1-CZ 2.63Å; E1035-R1092 IonicContact OE1-NE 3.13Å; E1035-R1092 PolarHBondContact OE1-NE 2.68Å; E1035-R1092 IonicContact OE1-NH2 2.68Å; E1035-R1092 PolarHBondContact OE1-NH2 3.1Å; E1035-R1092 IonicContact OE2-CZ 3.33Å; E1035-R1092 IonicContact OE2-NE 3.01Å; E1035-R1092 IonicContact OE2-NH2 3.41Å; E1035-R1092 PolarHBondContact OE2-NH2 3.5Å
1036	S	81.2	Confident	87.8	Confident	89 Å²	89	48.9 Å²	48.9	62%	0.622	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-49.6	-42.5	-176.2	-57.8	0	0	0	0	113.7	D1038 V1039	S1036-D1038 PolarHBondContact O-N 2.79Å; S1036-V1039 WeakPolarHBondContact O-CG2 3.5Å; S1036-V1039 PolarHBondContact O-N 3.48Å
1037	D	82.8	Confident	87.8	Confident	140 Å²	140	48.6 Å²	48.6	75%	0.749	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-72.2	-20.2	-175.8	-56.6	-0.5	0	0	0	112.3	E1035	E1035-D1037 PolarHBondContact O-N 3.11Å; E1035-D1037 VanDerWaalsContact O-N 3.14Å
1038	D	86.7	Confident	87.7	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.07	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-91.7	-8.1	-178.2	-96.1	-32.4	0	0	0	114.3	I1034 E1035 S1036 E1040 N1041 F1042 F1089 H1090 R1092	I1034-D1038 HydrophobicContact CG2-CB 4.12Å; E1035-D1038 PolarHBondContact O-N 3.03Å; S1036-D1038 PolarHBondContact O-N 2.79Å; D1038-E1040 PolarHBondContact O-N 3.14Å; D1038-N1041 PolarHBondContact O-N 2.93Å; D1038-N1041 PolarHBondContact OD1-ND2 2.75Å; D1038-N1041 VanDerWaalsContact OD1-ND2 3.1Å; D1038-F1042 WeakPolarHBondContact O-CB 3.29Å; D1038-F1042 PolarHBondContact O-N 3.24Å; D1038-F1089 HydrophobicContact CB-CD1 4.39Å; D1038-F1089 HydrophobicContact CB-CE1 4.13Å; D1038-H1090 VanDerWaalsContact CG-ND1 3.32Å; D1038-H1090 IonicContact OD1-CE1 2.76Å; D1038-H1090 PolarHBondContact OD1-CE1 3.21Å; D1038-H1090 IonicContact OD1-CG 2.68Å; D1038-H1090 IonicContact OD1-ND1 2.68Å; D1038-H1090 PolarHBondContact OD1-ND1 3.37Å; D1038-H1090 IonicContact OD2-ND1 2.76Å; D1038-H1090 PolarHBondContact OD2-ND1 3.2Å; D1038-R1092 IonicContact OD2-CZ 2.75Å; D1038-R1092 IonicContact OD2-NH1 3.99Å; D1038-R1092 PolarHBondContact OD2-NH1 3.28Å; D1038-R1092 IonicContact OD2-NH2 2.98Å
1039	V	85.5	Confident	87.4	Confident	18 Å²	18	54 Å²	54	11%	0.109	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-44.7	-178.2	176.9	0	0	0	0	111.7	I1034 S1036 F1042 Q1043 L1067 L1069	I1034-V1039 HydrophobicContact CG2-CG2 3.78Å; S1036-V1039 WeakPolarHBondContact O-CG2 3.5Å; S1036-V1039 PolarHBondContact O-N 3.48Å; V1039-F1042 PolarHBondContact O-N 3Å; V1039-Q1043 WeakPolarHBondContact O-CB 3.5Å; V1039-Q1043 PolarHBondContact O-N 3.03Å; V1039-L1067 HydrophobicContact CG2-CD1 4.11Å; V1039-L1067 HydrophobicContact CG2-CD2 4.2Å; V1039-L1069 HydrophobicContact CG1-CD1 3.7Å; V1039-L1069 HydrophobicContact CG1-CD2 4.26Å
1040	E	86.4	Confident	86.9	Confident	150 Å²	150	62.8 Å²	62.8	70%	0.701	33%	0.332	S	S	*	.	H	α-helix	trans	-69	-41.2	178.1	-63.6	-167.1	-176.9	0	0	111.8	D1038 F1042 Q1043 N1044	D1038-E1040 PolarHBondContact O-N 3.14Å; E1040-F1042 VanDerWaalsContact C-N 3.29Å; E1040-F1042 PolarHBondContact O-N 3.31Å; E1040-Q1043 PolarHBondContact O-N 3.41Å; E1040-N1044 WeakPolarHBondContact O-CB 3.43Å; E1040-N1044 VanDerWaalsContact O-CG 3.31Å; E1040-N1044 PolarHBondContact O-N 2.93Å; E1040-N1044 PolarHBondContact O-ND2 2.84Å
1041	N	88.9	Confident	86.6	Confident	77 Å²	77	61.3 Å²	61.3	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-42.9	174.9	-66.4	-33	0	0	0	111.1	D1038 N1044 A1045 F1089	D1038-N1041 PolarHBondContact O-N 2.93Å; D1038-N1041 PolarHBondContact OD1-ND2 2.75Å; D1038-N1041 VanDerWaalsContact OD1-ND2 3.1Å; N1041-N1044 PolarHBondContact O-N 3.18Å; N1041-A1045 WeakPolarHBondContact O-CB 3.22Å; N1041-A1045 PolarHBondContact O-N 3.36Å; N1041-F1089 HydrophobicContact CB-CE1 3.96Å; N1041-F1089 HydrophobicContact CB-CZ 3.79Å
1042	F	90.4	Very high	86.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-42.7	179.5	-176.3	-102.6	0	0	0	112.1	I1031 I1034 D1038 V1039 E1040 N1044 A1045 L1046 L1069 F1086 F1089 L1094 M1096	I1031-F1042 HydrophobicContact CD1-CE1 3.49Å; I1031-F1042 VanDerWaalsContact CD1-CE1 3.49Å; I1031-F1042 HydrophobicContact CD1-CZ 3.72Å; I1034-F1042 HydrophobicContact CD1-CB 4.19Å; I1034-F1042 HydrophobicContact CD1-CD1 3.74Å; I1034-F1042 HydrophobicContact CD1-CD2 4.09Å; I1034-F1042 HydrophobicContact CD1-CE1 4.13Å; I1034-F1042 HydrophobicContact CD1-CE2 4.46Å; I1034-F1042 HydrophobicContact CD1-CG 3.72Å; I1034-F1042 HydrophobicContact CD1-CZ 4.49Å; D1038-F1042 WeakPolarHBondContact O-CB 3.29Å; D1038-F1042 PolarHBondContact O-N 3.24Å; V1039-F1042 PolarHBondContact O-N 3Å; E1040-F1042 VanDerWaalsContact C-N 3.29Å; E1040-F1042 PolarHBondContact O-N 3.31Å; F1042-N1044 VanDerWaalsContact C-N 3.32Å; F1042-N1044 PolarHBondContact O-N 2.95Å; F1042-A1045 PolarHBondContact O-N 3.48Å; F1042-A1045 VanDerWaalsContact O-N 3.12Å; F1042-L1046 HydrophobicContact CD1-CD1 4.13Å; F1042-L1046 HydrophobicContact CD1-CG 4.32Å; F1042-L1046 HydrophobicContact CE1-CD1 3.64Å; F1042-L1046 HydrophobicContact CE1-CD2 4.19Å; F1042-L1046 HydrophobicContact CE1-CG 3.9Å; F1042-L1046 HydrophobicContact CZ-CD1 4.22Å; F1042-L1046 HydrophobicContact CZ-CD2 3.92Å; F1042-L1046 HydrophobicContact CZ-CG 4.07Å; F1042-L1046 PolarHBondContact O-N 3Å; F1042-L1069 HydrophobicContact CD1-CD2 3.72Å; F1042-L1069 HydrophobicContact CE1-CD2 4.18Å; F1042-F1086 HydrophobicContact CD2-CD1 4.4Å; F1042-F1086 HydrophobicContact CE2-CB 4.1Å; F1042-F1086 AromaticContact CE2-CD1 3.85Å; F1042-F1086 HydrophobicContact CE2-CD1 3.85Å; F1042-F1086 HydrophobicContact CE2-CE1 4.42Å; F1042-F1086 AromaticContact CE2-CG 3.93Å; F1042-F1086 HydrophobicContact CE2-CG 3.93Å; F1042-F1089 HydrophobicContact CB-CD1 4.3Å; F1042-F1089 HydrophobicContact CB-CE1 3.82Å; F1042-F1089 HydrophobicContact CB-CZ 3.98Å; F1042-F1089 HydrophobicContact CD2-CD1 4.22Å; F1042-F1089 AromaticContact CD2-CD2 3.97Å; F1042-F1089 HydrophobicContact CD2-CD2 3.97Å; F1042-F1089 HydrophobicContact CD2-CE1 4.39Å; F1042-F1089 HydrophobicContact CD2-CE2 4.16Å; F1042-F1089 HydrophobicContact CD2-CG 4.01Å; F1042-F1089 HydrophobicContact CD2-CZ 4.37Å; F1042-L1094 HydrophobicContact CD2-CD1 4.11Å; F1042-L1094 HydrophobicContact CE2-CD1 3.62Å; F1042-L1094 HydrophobicContact CZ-CD1 4.3Å; F1042-M1096 HydrophobicContact CE2-CE 4.03Å; F1042-M1096 HydrophobicContact CZ-CE 3.68Å
1043	Q	88.3	Confident	86.2	Confident	82 Å²	82	68.1 Å²	68.1	38%	0.383	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-37.7	174.9	-176.5	169.7	-15.8	0	0	112.2	V1039 E1040 S1047	V1039-Q1043 WeakPolarHBondContact O-CB 3.5Å; V1039-Q1043 PolarHBondContact O-N 3.03Å; E1040-Q1043 PolarHBondContact O-N 3.41Å; Q1043-S1047 PolarHBondContact O-N 2.8Å; Q1043-S1047 PolarHBondContact O-OG 2.95Å
1044	N	87.8	Confident	86.4	Confident	94 Å²	94	73.5 Å²	73.5	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-42.2	170.7	-74.1	-42.6	0	0	0	111.6	E1040 N1041 F1042 S1047 L1048	E1040-N1044 WeakPolarHBondContact O-CB 3.43Å; E1040-N1044 VanDerWaalsContact O-CG 3.31Å; E1040-N1044 PolarHBondContact O-N 2.93Å; E1040-N1044 PolarHBondContact O-ND2 2.84Å; N1041-N1044 PolarHBondContact O-N 3.18Å; F1042-N1044 VanDerWaalsContact C-N 3.32Å; F1042-N1044 PolarHBondContact O-N 2.95Å; N1044-S1047 WeakPolarHBondContact O-CB 3.14Å; N1044-S1047 PolarHBondContact O-N 3.23Å; N1044-L1048 WeakPolarHBondContact O-CG 3.26Å; N1044-L1048 PolarHBondContact O-N 2.83Å
1045	A	90	Very high	86.5	Confident	18 Å²	18	75.3 Å²	75.3	15%	0.149	39%	0.391	C	S	.	.	H	α-helix	trans	-66.1	-40.6	179.1	0	0	0	0	0	113.4	N1041 F1042 S1047 L1048 N1049 F1086 F1089	N1041-A1045 WeakPolarHBondContact O-CB 3.22Å; N1041-A1045 PolarHBondContact O-N 3.36Å; F1042-A1045 PolarHBondContact O-N 3.48Å; F1042-A1045 VanDerWaalsContact O-N 3.12Å; A1045-S1047 VanDerWaalsContact C-N 3.28Å; A1045-S1047 PolarHBondContact O-N 3.42Å; A1045-L1048 PolarHBondContact O-N 2.71Å; A1045-N1049 PolarHBondContact O-N 3.4Å; A1045-N1049 VanDerWaalsContact O-N 3.09Å; A1045-F1086 HydrophobicContact CB-CE1 3.72Å; A1045-F1086 HydrophobicContact CB-CZ 3.89Å; A1045-F1089 HydrophobicContact CB-CE2 3.86Å; A1045-F1089 HydrophobicContact CB-CZ 4.41Å
1046	L	90.7	Very high	86.8	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-56.7	-44.3	171	-70.6	179.1	0	0	0	111.3	F1042 N1049 L1051 T1053 V1071 F1073 A1082 F1086	F1042-L1046 HydrophobicContact CD1-CD1 4.13Å; F1042-L1046 HydrophobicContact CD1-CG 4.32Å; F1042-L1046 HydrophobicContact CE1-CD1 3.64Å; F1042-L1046 HydrophobicContact CE1-CD2 4.19Å; F1042-L1046 HydrophobicContact CE1-CG 3.9Å; F1042-L1046 HydrophobicContact CZ-CD1 4.22Å; F1042-L1046 HydrophobicContact CZ-CD2 3.92Å; F1042-L1046 HydrophobicContact CZ-CG 4.07Å; F1042-L1046 PolarHBondContact O-N 3Å; L1046-N1049 PolarHBondContact O-N 3.21Å; L1046-L1051 HydrophobicContact CD2-CD1 3.92Å; L1046-L1051 WeakPolarHBondContact O-CB 3.21Å; L1046-L1051 PolarHBondContact O-N 3.27Å; L1046-T1053 HydrophobicContact CD1-CG2 3.93Å; L1046-V1071 HydrophobicContact CD1-CG1 3.94Å; L1046-F1073 HydrophobicContact CD1-CE1 4.4Å; L1046-F1073 HydrophobicContact CD1-CZ 4.1Å; L1046-F1073 HydrophobicContact CD2-CE1 4.24Å; L1046-F1073 HydrophobicContact CD2-CZ 4.06Å; L1046-A1082 HydrophobicContact CD2-CB 4.32Å; L1046-F1086 HydrophobicContact CD2-CD2 4.04Å; L1046-F1086 HydrophobicContact CD2-CE2 3.8Å; L1046-F1086 HydrophobicContact CD2-CZ 4.44Å
1047	S	86.8	Confident	87	Confident	66 Å²	66	70.8 Å²	70.8	46%	0.462	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-43.9	-179.4	-55.5	0	0	0	0	112	Q1043 N1044 A1045 N1049 Y1050	Q1043-S1047 PolarHBondContact O-N 2.8Å; Q1043-S1047 PolarHBondContact O-OG 2.95Å; N1044-S1047 WeakPolarHBondContact O-CB 3.14Å; N1044-S1047 PolarHBondContact O-N 3.23Å; A1045-S1047 VanDerWaalsContact C-N 3.28Å; A1045-S1047 PolarHBondContact O-N 3.42Å; S1047-N1049 VanDerWaalsContact C-N 3.29Å; S1047-N1049 PolarHBondContact O-N 3.22Å; S1047-Y1050 PolarHBondContact O-N 2.61Å; S1047-Y1050 VanDerWaalsContact O-N 3.14Å
1048	L	87	Confident	87.2	Confident	133 Å²	133	72.4 Å²	72.4	70%	0.696	37%	0.368	S	S	*	.	H	α-helix	trans	-64.2	-31.4	176.8	-72.8	167.8	0	0	0	112.9	N1044 A1045 Y1050	N1044-L1048 WeakPolarHBondContact O-CG 3.26Å; N1044-L1048 PolarHBondContact O-N 2.83Å; A1045-L1048 PolarHBondContact O-N 2.71Å; L1048-Y1050 PolarHBondContact O-N 3.36Å
1049	N	86.2	Confident	86.7	Confident	69 Å²	69	74.9 Å²	74.9	37%	0.369	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	12.7	175.5	-77.6	-3.3	0	0	0	114	A1045 L1046 S1047 L1051 Q1085 F1086	A1045-N1049 PolarHBondContact O-N 3.4Å; A1045-N1049 VanDerWaalsContact O-N 3.09Å; L1046-N1049 PolarHBondContact O-N 3.21Å; S1047-N1049 VanDerWaalsContact C-N 3.29Å; S1047-N1049 PolarHBondContact O-N 3.22Å; N1049-L1051 HydrophobicContact CB-CG 4.19Å; N1049-L1051 PolarHBondContact O-N 2.91Å; N1049-Q1085 PolarHBondContact ND2-OE1 2.92Å; N1049-Q1085 VanDerWaalsContact ND2-OE1 3.07Å; N1049-F1086 HydrophobicContact CB-CE2 4.41Å; N1049-F1086 HydrophobicContact CB-CZ 4.46Å; N1049-F1086 WeakPolarHBondContact ND2-CE2 3.48Å; N1049-F1086 WeakPolarHBondContact ND2-CZ 3.42Å
1050	Y	83.3	Confident	86.3	Confident	184 Å²	184	78.6 Å²	78.6	72%	0.722	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	23.6	-178.7	-54.3	-92.6	0	0	0	114.2	S1047 L1048 H1052 F1078	S1047-Y1050 PolarHBondContact O-N 2.61Å; S1047-Y1050 VanDerWaalsContact O-N 3.14Å; L1048-Y1050 PolarHBondContact O-N 3.36Å; Y1050-H1052 PolarHBondContact O-CE1 2.92Å; Y1050-H1052 PolarHBondContact O-N 2.92Å; Y1050-H1052 PolarHBondContact O-ND1 3.12Å; Y1050-F1078 WeakPolarHBondContact O-CE1 3.47Å
1051	L	86.7	Confident	85.4	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.042	37%	0.372	C	S	.	.			trans	-87.1	102.9	177.5	-56.4	-172.1	0	0	0	109.9	L1046 N1049 T1053 F1073 F1078 A1081 A1082 F1086	L1046-L1051 HydrophobicContact CD2-CD1 3.92Å; L1046-L1051 WeakPolarHBondContact O-CB 3.21Å; L1046-L1051 PolarHBondContact O-N 3.27Å; N1049-L1051 HydrophobicContact CB-CG 4.19Å; N1049-L1051 PolarHBondContact O-N 2.91Å; L1051-T1053 PolarHBondContact O-N 2.87Å; L1051-F1073 HydrophobicContact CB-CD1 4.47Å; L1051-F1073 HydrophobicContact CB-CE1 3.98Å; L1051-F1078 HydrophobicContact CD2-CD1 3.98Å; L1051-A1081 HydrophobicContact CD2-CB 3.71Å; L1051-A1082 HydrophobicContact CD1-CB 3.8Å; L1051-F1086 HydrophobicContact CD1-CD2 4.4Å; L1051-F1086 HydrophobicContact CD1-CE2 4Å
1052	H	81.8	Confident	84.2	Confident	102 Å²	102	73.8 Å²	73.8	47%	0.472	39%	0.388	S	S	.	.			trans	-77.6	112.7	-170.3	-65.4	61.5	0	0	0	111.5	Y1050 C1074 F1078	Y1050-H1052 PolarHBondContact O-CE1 2.92Å; Y1050-H1052 PolarHBondContact O-N 2.92Å; Y1050-H1052 PolarHBondContact O-ND1 3.12Å; H1052-C1074 HydrophobicContact CB-CB 4.21Å; H1052-C1074 PolarHBondContact O-N 2.93Å; H1052-C1074 PolarHBondContact O-SG 2.75Å; H1052-F1078 HydrophobicContact CB-CD2 3.94Å; H1052-F1078 HydrophobicContact CB-CE2 3.7Å; H1052-F1078 HydrophobicContact CB-CZ 4.23Å; H1052-F1078 AromaticContact CG-CE2 3.93Å; H1052-F1078 AromaticContact ND1-CE1 3.88Å; H1052-F1078 AromaticContact ND1-CE2 3.82Å; H1052-F1078 AromaticContact ND1-CZ 3.41Å; H1052-F1078 WeakPolarHBondContact ND1-CZ 3.43Å
1053	T	88.6	Confident	82.8	Confident	43 Å²	43	80.9 Å²	80.9	26%	0.264	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.7	173.9	54.7	0	0	0	0	111.5	L1046 L1051 V1071 T1072 F1073	L1046-T1053 HydrophobicContact CD1-CG2 3.93Å; L1051-T1053 PolarHBondContact O-N 2.87Å; T1053-V1071 HydrophobicContact CG2-CG1 3.46Å; T1053-V1071 VanDerWaalsContact CG2-CG1 3.46Å; T1053-T1072 CarbonylContact C-O 3.59Å; T1053-T1072 WeakPolarHBondContact CA-O 3.4Å; T1053-F1073 HydrophobicContact CG2-CD1 3.92Å; T1053-F1073 HydrophobicContact CG2-CE1 3.68Å; T1053-F1073 HydrophobicContact CG2-CZ 4.18Å
1054	Q	87	Confident	81.8	Confident	144 Å²	144	80.3 Å²	80.3	67%	0.673	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	-36.4	174.9	-179.5	177.9	-9.9	0	0	111.3	T1072	Q1054-T1072 HydrophobicContact CB-CG2 4.37Å; Q1054-T1072 PolarHBondContact N-O 3.12Å
1055	S	87.7	Confident	81	Confident	49 Å²	49	82.6 Å²	82.6	34%	0.343	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.8	171.8	64	0	0	0	0	111	T1072	S1055-T1072 PolarHBondContact N-O 3.4Å; S1055-T1072 PolarHBondContact O-N 3.01Å; S1055-T1072 WeakPolarHBondContact OG-CB 3.36Å; S1055-T1072 PolarHBondContact OG-OG1 3.31Å
1056	C	88.7	Confident	80.2	Confident	38 Å²	38	85.9 Å²	85.9	26%	0.257	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	110.1	174.5	-170.6	0	0	0	0	106.9	E1070	C1056-E1070 CarbonylContact C-O 3.57Å; C1056-E1070 WeakPolarHBondContact CA-O 3.46Å
1057	T	87	Confident	79.8	Confident	57 Å²	57	86.9 Å²	86.9	35%	0.35	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.5	-174.5	19.4	0	0	0	0	109.4	E1070	T1057-E1070 PolarHBondContact N-O 3.19Å; T1057-E1070 PolarHBondContact O-N 2.99Å; T1057-E1070 WeakPolarHBondContact OG1-CB 3.47Å; T1057-E1070 WeakPolarHBondContact OG1-CG 3.43Å; T1057-E1070 PolarHBondContact OG1-O 3.09Å; T1057-E1070 PolarHBondContact OG1-OE2 3.46Å
1058	K	86.3	Confident	79.9	Confident	174 Å²	174	83.9 Å²	83.9	76%	0.757	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	123	171.4	63.2	-176.8	-177.8	179.9	0	109.4	L1069	K1058-L1069 HydrophobicContact CB-CD1 4.29Å
1059	Q	76.5	Confident	80	Confident	65 Å²	65	77.6 Å²	77.6	30%	0.304	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.1	173	-56.3	-169.5	19.2	0	0	108.5	V1068 E1070	Q1059-V1068 PolarHBondContact N-O 3.45Å; Q1059-V1068 PolarHBondContact O-N 2.77Å; Q1059-E1070 PolarHBondContact NE2-OE2 3.42Å
1060	T	76.9	Confident	80.3	Confident	96 Å²	96	76 Å²	76	59%	0.589	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	120	168.6	-52	0	0	0	0	107.3	P1062	T1060-P1062 WeakPolarHBondContact O-CD 3.41Å
1061	N	67.7	Low	80.7	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.053	36%	0.355	C	S	.	.			trans	-73.5	118.7	178.7	-172.8	-33.7	0	0	0	109.5	E1063 T1064 N1065 Q1066	N1061-E1063 PolarHBondContact O-N 2.95Å; N1061-E1063 PolarHBondContact OD1-N 3.39Å; N1061-T1064 PolarHBondContact O-N 2.97Å; N1061-N1065 WeakPolarHBondContact O-CA 3.32Å; N1061-N1065 PolarHBondContact O-N 3.37Å; N1061-Q1066 PolarHBondContact N-O 2.99Å
1062	P	63.6	Low	81	Confident	116 Å²	116	68 Å²	68	75%	0.753	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.3	-171.7	27.5	-35.9	0	0	0	113.9	T1060	T1060-P1062 WeakPolarHBondContact O-CD 3.41Å
1063	E	60.3	Low	81.5	Confident	149 Å²	149	63.1 Å²	63.1	70%	0.696	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.5	-177.7	-64	-179.4	-172.3	0	0	113.2	N1061 L1103	N1061-E1063 PolarHBondContact O-N 2.95Å; N1061-E1063 PolarHBondContact OD1-N 3.39Å; E1063-L1103 HydrophobicContact CB-CD2 4.44Å; E1063-L1103 WeakPolarHBondContact OE2-CD1 3.47Å
1064	T	67.6	Low	81.4	Confident	71 Å²	71	63.5 Å²	63.5	44%	0.436	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-7.6	-173.3	62.9	0	0	0	0	114.2	N1061 Q1066 L1103	N1061-T1064 PolarHBondContact O-N 2.97Å; T1064-Q1066 PolarHBondContact O-N 2.83Å; T1064-Q1066 VanDerWaalsContact OG1-CB 3.3Å; T1064-Q1066 WeakPolarHBondContact OG1-CB 3.48Å; T1064-Q1066 PolarHBondContact OG1-N 2.85Å; T1064-L1103 HydrophobicContact CG2-CD2 3.93Å
1065	N	70	Confident	81.3	Confident	141 Å²	141	59 Å²	59	75%	0.754	32%	0.324	S	S	*	.			trans	52.6	15.8	-166.6	-74.1	-44.7	0	0	0	114.1	N1061	N1061-N1065 WeakPolarHBondContact O-CA 3.32Å; N1061-N1065 PolarHBondContact O-N 3.37Å
1066	Q	73.7	Confident	81.4	Confident	88 Å²	88	58 Å²	58	41%	0.411	31%	0.312	S	S	.	.			trans	-81.7	128.9	-179.6	-165.3	173.2	23.4	0	0	110	T1032 N1061 T1064 V1068	T1032-Q1066 HydrophobicContact CG2-CG 4.45Å; N1061-Q1066 PolarHBondContact N-O 2.99Å; T1064-Q1066 PolarHBondContact O-N 2.83Å; T1064-Q1066 VanDerWaalsContact OG1-CB 3.3Å; T1064-Q1066 WeakPolarHBondContact OG1-CB 3.48Å; T1064-Q1066 PolarHBondContact OG1-N 2.85Å; Q1066-V1068 PolarHBondContact O-N 3.43Å
1067	L	83.1	Confident	81.3	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123	172.1	-168.8	156.1	0	0	0	109.4	I1034 V1039 L1069	I1034-L1067 HydrophobicContact CB-CD2 4.41Å; I1034-L1067 HydrophobicContact CG2-CD2 4.39Å; V1039-L1067 HydrophobicContact CG2-CD1 4.11Å; V1039-L1067 HydrophobicContact CG2-CD2 4.2Å; L1067-L1069 HydrophobicContact CD2-CB 4.31Å
1068	V	87.3	Confident	81.5	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.8	172.9	-172	0	0	0	0	107.6	Y1030 T1032 Q1059 Q1066 Y1100 P1101	Y1030-V1068 HydrophobicContact CD1-CG1 4.17Å; T1032-V1068 HydrophobicContact CG2-CG1 4.41Å; T1032-V1068 HydrophobicContact CG2-CG2 3.97Å; Q1059-V1068 PolarHBondContact N-O 3.45Å; Q1059-V1068 PolarHBondContact O-N 2.77Å; Q1066-V1068 PolarHBondContact O-N 3.43Å; V1068-Y1100 HydrophobicContact CG1-CE2 4.48Å; V1068-P1101 HydrophobicContact CG1-CG 4.38Å
1069	L	90	Very high	81.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.2	173.8	-166.7	68.6	0	0	0	109.1	I1031 I1034 V1039 F1042 K1058 L1067 V1071	I1031-L1069 HydrophobicContact CB-CB 4.3Å; I1031-L1069 PolarHBondContact N-O 2.94Å; I1031-L1069 PolarHBondContact O-N 2.66Å; I1034-L1069 HydrophobicContact CD1-CD2 4.04Å; V1039-L1069 HydrophobicContact CG1-CD1 3.7Å; V1039-L1069 HydrophobicContact CG1-CD2 4.26Å; F1042-L1069 HydrophobicContact CD1-CD2 3.72Å; F1042-L1069 HydrophobicContact CE1-CD2 4.18Å; K1058-L1069 HydrophobicContact CB-CD1 4.29Å; L1067-L1069 HydrophobicContact CD2-CB 4.31Å; L1069-V1071 HydrophobicContact CD2-CG2 3.98Å; L1069-V1071 HydrophobicContact CG-CG2 3.89Å
1070	E	92.3	Very high	82.5	Confident	35 Å²	35	51.8 Å²	51.8	16%	0.164	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.7	175.3	175.2	-179.6	-129.6	0	0	109.3	T1028 L1029 Y1030 C1056 T1057 Q1059	T1028-E1070 HydrophobicContact CG2-CG 3.53Å; L1029-E1070 WeakPolarHBondContact O-CA 3.17Å; Y1030-E1070 HydrophobicContact CD1-CB 4.04Å; Y1030-E1070 HydrophobicContact CD1-CG 4.17Å; Y1030-E1070 HydrophobicContact CE1-CB 3.87Å; Y1030-E1070 HydrophobicContact CE1-CG 3.56Å; Y1030-E1070 WeakPolarHBondContact CE1-OE1 3.48Å; Y1030-E1070 PolarHBondContact OH-OE1 3.36Å; C1056-E1070 CarbonylContact C-O 3.57Å; C1056-E1070 WeakPolarHBondContact CA-O 3.46Å; T1057-E1070 PolarHBondContact N-O 3.19Å; T1057-E1070 PolarHBondContact O-N 2.99Å; T1057-E1070 WeakPolarHBondContact OG1-CB 3.47Å; T1057-E1070 WeakPolarHBondContact OG1-CG 3.43Å; T1057-E1070 PolarHBondContact OG1-O 3.09Å; T1057-E1070 PolarHBondContact OG1-OE2 3.46Å; Q1059-E1070 PolarHBondContact NE2-OE2 3.42Å
1071	V	92.7	Very high	83.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111.6	-176.5	-172.9	0	0	0	0	109.6	T1028 L1029 I1031 L1046 T1053 L1069 F1073	T1028-V1071 CarbonylContact C-O 3.59Å; T1028-V1071 WeakPolarHBondContact CA-O 3.4Å; L1029-V1071 PolarHBondContact N-O 3.19Å; L1029-V1071 PolarHBondContact O-N 2.86Å; I1031-V1071 HydrophobicContact CD1-CB 4.37Å; I1031-V1071 HydrophobicContact CD1-CG2 3.76Å; L1046-V1071 HydrophobicContact CD1-CG1 3.94Å; T1053-V1071 HydrophobicContact CG2-CG1 3.46Å; T1053-V1071 VanDerWaalsContact CG2-CG1 3.46Å; L1069-V1071 HydrophobicContact CD2-CG2 3.98Å; L1069-V1071 HydrophobicContact CG-CG2 3.89Å; V1071-F1073 HydrophobicContact CB-CE2 3.93Å; V1071-F1073 HydrophobicContact CB-CZ 4.38Å; V1071-F1073 HydrophobicContact CG1-CD2 4.13Å; V1071-F1073 HydrophobicContact CG1-CE1 4.29Å; V1071-F1073 HydrophobicContact CG1-CE2 3.49Å; V1071-F1073 VanDerWaalsContact CG1-CE2 3.49Å; V1071-F1073 HydrophobicContact CG1-CZ 3.6Å
1072	T	92.6	Very high	84.3	Confident	24 Å²	24	48 Å²	48	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123	175.3	-59.8	0	0	0	0	109.9	T1028 T1053 Q1054 S1055	T1028-T1072 WeakPolarHBondContact CG2-OG1 3.42Å; T1028-T1072 PolarHBondContact OG1-OG1 3Å; T1053-T1072 CarbonylContact C-O 3.59Å; T1053-T1072 WeakPolarHBondContact CA-O 3.4Å; Q1054-T1072 HydrophobicContact CB-CG2 4.37Å; Q1054-T1072 PolarHBondContact N-O 3.12Å; S1055-T1072 PolarHBondContact N-O 3.4Å; S1055-T1072 PolarHBondContact O-N 3.01Å; S1055-T1072 WeakPolarHBondContact OG-CB 3.36Å; S1055-T1072 PolarHBondContact OG-OG1 3.31Å
1073	F	92.3	Very high	85.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	148	178.9	-68.1	-92.6	0	0	0	112.4	R1027 L1029 L1046 L1051 T1053 V1071 T1075 F1078 A1079 A1082	R1027-F1073 WeakPolarHBondContact CB-O 3.39Å; R1027-F1073 PolarHBondContact O-N 3.19Å; L1029-F1073 HydrophobicContact CB-CE2 4.35Å; L1029-F1073 HydrophobicContact CD1-CD2 4.42Å; L1029-F1073 HydrophobicContact CD1-CE2 3.88Å; L1029-F1073 HydrophobicContact CG-CE2 4.45Å; L1046-F1073 HydrophobicContact CD1-CE1 4.4Å; L1046-F1073 HydrophobicContact CD1-CZ 4.1Å; L1046-F1073 HydrophobicContact CD2-CE1 4.24Å; L1046-F1073 HydrophobicContact CD2-CZ 4.06Å; L1051-F1073 HydrophobicContact CB-CD1 4.47Å; L1051-F1073 HydrophobicContact CB-CE1 3.98Å; T1053-F1073 HydrophobicContact CG2-CD1 3.92Å; T1053-F1073 HydrophobicContact CG2-CE1 3.68Å; T1053-F1073 HydrophobicContact CG2-CZ 4.18Å; V1071-F1073 HydrophobicContact CB-CE2 3.93Å; V1071-F1073 HydrophobicContact CB-CZ 4.38Å; V1071-F1073 HydrophobicContact CG1-CD2 4.13Å; V1071-F1073 HydrophobicContact CG1-CE1 4.29Å; V1071-F1073 HydrophobicContact CG1-CE2 3.49Å; V1071-F1073 VanDerWaalsContact CG1-CE2 3.49Å; V1071-F1073 HydrophobicContact CG1-CZ 3.6Å; F1073-T1075 WeakPolarHBondContact CB-O 3.49Å; F1073-T1075 PolarHBondContact O-N 3.29Å; F1073-F1078 HydrophobicContact CB-CB 4.12Å; F1073-F1078 HydrophobicContact CD1-CB 3.81Å; F1073-F1078 HydrophobicContact CG-CB 4.28Å; F1073-A1079 HydrophobicContact CB-CB 4.07Å; F1073-A1079 HydrophobicContact CD2-CB 3.58Å; F1073-A1079 HydrophobicContact CE2-CB 4.27Å; F1073-A1079 HydrophobicContact CG-CB 3.93Å; F1073-A1082 HydrophobicContact CE1-CB 4.22Å; F1073-A1082 HydrophobicContact CE2-CB 4.29Å; F1073-A1082 HydrophobicContact CZ-CB 3.7Å
1074	C	86.1	Confident	86.9	Confident	52 Å²	52	46.9 Å²	46.9	35%	0.351	24%	0.239	S	C	.	.	S	Bend	trans	-60	-31.2	179.1	-62.7	0	0	0	0	112.7	R1027 H1052	R1027-C1074 PolarHBondContact NH1-O 2.9Å; H1052-C1074 HydrophobicContact CB-CB 4.21Å; H1052-C1074 PolarHBondContact O-N 2.93Å; H1052-C1074 PolarHBondContact O-SG 2.75Å
1075	T	85.7	Confident	87.9	Confident	49 Å²	49	48 Å²	48	30%	0.301	24%	0.239	S	C	.	.	S	Bend	trans	-133.2	155.8	176.3	75	0	0	0	0	111.3	F1073 D1077 F1078 A1079	F1073-T1075 WeakPolarHBondContact CB-O 3.49Å; F1073-T1075 PolarHBondContact O-N 3.29Å; T1075-D1077 PolarHBondContact O-N 2.83Å; T1075-D1077 PolarHBondContact OG1-N 2.88Å; T1075-F1078 HydrophobicContact CG2-CD2 4.02Å; T1075-F1078 HydrophobicContact CG2-CE2 4.06Å; T1075-F1078 PolarHBondContact O-N 2.88Å; T1075-F1078 WeakPolarHBondContact OG1-CD2 3.37Å; T1075-F1078 WeakPolarHBondContact OG1-CG 3.32Å; T1075-F1078 PolarHBondContact OG1-N 2.9Å; T1075-F1078 VanDerWaalsContact OG1-N 3.17Å; T1075-A1079 PolarHBondContact O-N 2.88Å
1076	R	89.2	Confident	88.8	Confident	28 Å²	28	42 Å²	42	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-35	171.9	173.9	62.5	-170.2	-173.1	10.9	112.2	D1023 R1025 P1026 R1027 A1079 E1080 F1098	D1023-R1076 WeakPolarHBondContact OD2-CG 3.4Å; R1025-R1076 HydrophobicContact CB-CG 4.11Å; P1026-R1076 WeakPolarHBondContact O-CD 3.22Å; P1026-R1076 PolarHBondContact O-NH1 2.81Å; R1027-R1076 HydrophobicContact CG-CB 4.39Å; R1076-A1079 PolarHBondContact O-N 3.46Å; R1076-E1080 IonicContact CZ-OE1 3.88Å; R1076-E1080 VanDerWaalsContact CZ-OE1 3.28Å; R1076-E1080 IonicContact NE-OE1 2.68Å; R1076-E1080 PolarHBondContact NE-OE1 3.34Å; R1076-E1080 IonicContact NH2-OE1 3.64Å; R1076-E1080 PolarHBondContact NH2-OE1 3.03Å; R1076-E1080 PolarHBondContact O-N 2.71Å; R1076-F1098 VanDerWaalsContact NH1-CG 3.33Å
1077	D	86.3	Confident	89.3	Confident	108 Å²	108	42.2 Å²	42.2	58%	0.578	21%	0.214	S	C	*	.	H	α-helix	trans	-68.6	-35.6	-178.7	-60.8	-41.2	0	0	0	112.3	T1075 E1080 A1081	T1075-D1077 PolarHBondContact O-N 2.83Å; T1075-D1077 PolarHBondContact OG1-N 2.88Å; D1077-E1080 PolarHBondContact O-N 3.34Å; D1077-A1081 WeakPolarHBondContact O-CB 3.1Å; D1077-A1081 PolarHBondContact O-N 2.7Å
1078	F	91.8	Very high	89.5	Confident	58 Å²	58	46.6 Å²	46.6	25%	0.254	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-39.8	173.6	-70.2	-50.8	0	0	0	112.2	Y1050 L1051 H1052 F1073 T1075 A1081 A1082	Y1050-F1078 WeakPolarHBondContact O-CE1 3.47Å; L1051-F1078 HydrophobicContact CD2-CD1 3.98Å; H1052-F1078 HydrophobicContact CB-CD2 3.94Å; H1052-F1078 HydrophobicContact CB-CE2 3.7Å; H1052-F1078 HydrophobicContact CB-CZ 4.23Å; H1052-F1078 AromaticContact CG-CE2 3.93Å; H1052-F1078 AromaticContact ND1-CE1 3.88Å; H1052-F1078 AromaticContact ND1-CE2 3.82Å; H1052-F1078 AromaticContact ND1-CZ 3.41Å; H1052-F1078 WeakPolarHBondContact ND1-CZ 3.43Å; F1073-F1078 HydrophobicContact CB-CB 4.12Å; F1073-F1078 HydrophobicContact CD1-CB 3.81Å; F1073-F1078 HydrophobicContact CG-CB 4.28Å; T1075-F1078 HydrophobicContact CG2-CD2 4.02Å; T1075-F1078 HydrophobicContact CG2-CE2 4.06Å; T1075-F1078 PolarHBondContact O-N 2.88Å; T1075-F1078 WeakPolarHBondContact OG1-CD2 3.37Å; T1075-F1078 WeakPolarHBondContact OG1-CG 3.32Å; T1075-F1078 PolarHBondContact OG1-N 2.9Å; T1075-F1078 VanDerWaalsContact OG1-N 3.17Å; F1078-A1081 WeakPolarHBondContact O-CB 3.33Å; F1078-A1081 PolarHBondContact O-N 3.38Å; F1078-A1082 PolarHBondContact O-N 3.1Å
1079	A	91.6	Very high	89.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-42	174.6	0	0	0	0	0	111.9	L1029 F1073 T1075 R1076 A1081 A1082 I1083 F1098	L1029-A1079 HydrophobicContact CD1-CB 3.9Å; L1029-A1079 WeakPolarHBondContact CD1-O 3.42Å; L1029-A1079 HydrophobicContact CG-CB 4.23Å; F1073-A1079 HydrophobicContact CB-CB 4.07Å; F1073-A1079 HydrophobicContact CD2-CB 3.58Å; F1073-A1079 HydrophobicContact CE2-CB 4.27Å; F1073-A1079 HydrophobicContact CG-CB 3.93Å; T1075-A1079 PolarHBondContact O-N 2.88Å; R1076-A1079 PolarHBondContact O-N 3.46Å; A1079-A1081 VanDerWaalsContact C-N 3.27Å; A1079-A1081 PolarHBondContact O-N 2.68Å; A1079-A1082 WeakPolarHBondContact O-CB 3.45Å; A1079-A1082 PolarHBondContact O-N 3.44Å; A1079-I1083 PolarHBondContact O-N 3.46Å; A1079-F1098 HydrophobicContact CB-CE1 3.69Å; A1079-F1098 HydrophobicContact CB-CZ 4.03Å
1080	E	90.9	Very high	89.2	Confident	38 Å²	38	53.3 Å²	53.3	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-23.6	173.4	-75.1	-167.9	-156.4	0	0	113.7	R1025 R1076 D1077 R1084 F1098	R1025-E1080 IonicContact CZ-OE1 2.85Å; R1025-E1080 IonicContact NH1-OE1 3.19Å; R1025-E1080 PolarHBondContact NH1-OE1 2.92Å; R1025-E1080 IonicContact NH2-OE1 2.73Å; R1076-E1080 IonicContact CZ-OE1 3.88Å; R1076-E1080 VanDerWaalsContact CZ-OE1 3.28Å; R1076-E1080 IonicContact NE-OE1 2.68Å; R1076-E1080 PolarHBondContact NE-OE1 3.34Å; R1076-E1080 IonicContact NH2-OE1 3.64Å; R1076-E1080 PolarHBondContact NH2-OE1 3.03Å; R1076-E1080 PolarHBondContact O-N 2.71Å; D1077-E1080 PolarHBondContact O-N 3.34Å; E1080-R1084 VanDerWaalsContact O-CD 3.24Å; E1080-R1084 WeakPolarHBondContact O-CD 3.44Å; E1080-R1084 WeakPolarHBondContact O-CG 3.41Å; E1080-R1084 PolarHBondContact O-NE 3.03Å; E1080-R1084 VanDerWaalsContact O-NE 3.07Å; E1080-R1084 IonicContact OE2-NH2 2.68Å; E1080-R1084 PolarHBondContact OE2-NH2 2.72Å; E1080-F1098 HydrophobicContact CG-CE2 4.42Å; E1080-F1098 HydrophobicContact CG-CZ 4.06Å
1081	A	90	Very high	88.7	Confident	27 Å²	27	54.9 Å²	54.9	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-75	-38.4	170.4	0	0	0	0	0	111.9	L1051 D1077 F1078 A1079 I1083 R1084 Q1085	L1051-A1081 HydrophobicContact CD2-CB 3.71Å; D1077-A1081 WeakPolarHBondContact O-CB 3.1Å; D1077-A1081 PolarHBondContact O-N 2.7Å; F1078-A1081 WeakPolarHBondContact O-CB 3.33Å; F1078-A1081 PolarHBondContact O-N 3.38Å; A1079-A1081 VanDerWaalsContact C-N 3.27Å; A1079-A1081 PolarHBondContact O-N 2.68Å; A1081-I1083 PolarHBondContact O-N 2.95Å; A1081-R1084 PolarHBondContact O-N 3.47Å; A1081-R1084 VanDerWaalsContact O-N 3.09Å; A1081-Q1085 WeakPolarHBondContact O-CG 3.39Å; A1081-Q1085 PolarHBondContact O-N 2.86Å
1082	A	92.3	Very high	88.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.1	-52.3	176.4	0	0	0	0	0	111.6	L1029 L1046 L1051 F1073 F1078 A1079 R1084 Q1085 F1086	L1029-A1082 HydrophobicContact CD1-CB 4.21Å; L1046-A1082 HydrophobicContact CD2-CB 4.32Å; L1051-A1082 HydrophobicContact CD1-CB 3.8Å; F1073-A1082 HydrophobicContact CE1-CB 4.22Å; F1073-A1082 HydrophobicContact CE2-CB 4.29Å; F1073-A1082 HydrophobicContact CZ-CB 3.7Å; F1078-A1082 PolarHBondContact O-N 3.1Å; A1079-A1082 WeakPolarHBondContact O-CB 3.45Å; A1079-A1082 PolarHBondContact O-N 3.44Å; A1082-R1084 PolarHBondContact O-N 2.95Å; A1082-Q1085 PolarHBondContact O-N 2.79Å; A1082-Q1085 VanDerWaalsContact O-N 3.12Å; A1082-F1086 PolarHBondContact O-N 2.97Å
1083	I	90.6	Very high	88	Confident	57 Å²	57	63 Å²	63	29%	0.292	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-35.3	177.1	-61.3	165.1	0	0	0	112.2	L1029 A1079 A1081 M1096 F1098	L1029-I1083 HydrophobicContact CD1-CD1 4.24Å; L1029-I1083 HydrophobicContact CD1-CG1 3.92Å; L1029-I1083 HydrophobicContact CD2-CD1 3.9Å; L1029-I1083 HydrophobicContact CD2-CG1 4.23Å; A1079-I1083 PolarHBondContact O-N 3.46Å; A1081-I1083 PolarHBondContact O-N 2.95Å; I1083-M1096 HydrophobicContact CG1-CB 3.97Å; I1083-M1096 HydrophobicContact CG1-SD 4.18Å; I1083-F1098 HydrophobicContact CD1-CD2 4.14Å; I1083-F1098 HydrophobicContact CD1-CE2 3.27Å; I1083-F1098 HydrophobicContact CD1-CZ 3.58Å
1084	R	89.1	Confident	87.9	Confident	184 Å²	184	63.9 Å²	63.9	69%	0.694	33%	0.332	S	S	*	.	H	α-helix	trans	-81.3	-19.7	-177.4	-65.6	170.9	-155.7	-151.2	7.9	113.5	E1080 A1081 A1082	E1080-R1084 VanDerWaalsContact O-CD 3.24Å; E1080-R1084 WeakPolarHBondContact O-CD 3.44Å; E1080-R1084 WeakPolarHBondContact O-CG 3.41Å; E1080-R1084 PolarHBondContact O-NE 3.03Å; E1080-R1084 VanDerWaalsContact O-NE 3.07Å; E1080-R1084 IonicContact OE2-NH2 2.68Å; E1080-R1084 PolarHBondContact OE2-NH2 2.72Å; A1081-R1084 PolarHBondContact O-N 3.47Å; A1081-R1084 VanDerWaalsContact O-N 3.09Å; A1082-R1084 PolarHBondContact O-N 2.95Å
1085	Q	88	Confident	87.9	Confident	95 Å²	95	67.5 Å²	67.5	44%	0.444	34%	0.343	S	S	.	.	H	α-helix	trans	-99.6	-38.4	-179.6	-71.9	179.8	-6.8	0	0	112.3	N1049 A1081 A1082	N1049-Q1085 PolarHBondContact ND2-OE1 2.92Å; N1049-Q1085 VanDerWaalsContact ND2-OE1 3.07Å; A1081-Q1085 WeakPolarHBondContact O-CG 3.39Å; A1081-Q1085 PolarHBondContact O-N 2.86Å; A1082-Q1085 PolarHBondContact O-N 2.79Å; A1082-Q1085 VanDerWaalsContact O-N 3.12Å
1086	F	88.6	Confident	88.1	Confident	14 Å²	14	66.6 Å²	66.6	6%	0.061	34%	0.336	C	S	.	.			trans	-111	59.6	-169.8	-67.3	-81.2	0	0	0	111.7	F1042 A1045 L1046 N1049 L1051 A1082 Q1088 F1089 L1094 M1096	F1042-F1086 HydrophobicContact CD2-CD1 4.4Å; F1042-F1086 HydrophobicContact CE2-CB 4.1Å; F1042-F1086 AromaticContact CE2-CD1 3.85Å; F1042-F1086 HydrophobicContact CE2-CD1 3.85Å; F1042-F1086 HydrophobicContact CE2-CE1 4.42Å; F1042-F1086 AromaticContact CE2-CG 3.93Å; F1042-F1086 HydrophobicContact CE2-CG 3.93Å; A1045-F1086 HydrophobicContact CB-CE1 3.72Å; A1045-F1086 HydrophobicContact CB-CZ 3.89Å; L1046-F1086 HydrophobicContact CD2-CD2 4.04Å; L1046-F1086 HydrophobicContact CD2-CE2 3.8Å; L1046-F1086 HydrophobicContact CD2-CZ 4.44Å; N1049-F1086 HydrophobicContact CB-CE2 4.41Å; N1049-F1086 HydrophobicContact CB-CZ 4.46Å; N1049-F1086 WeakPolarHBondContact ND2-CE2 3.48Å; N1049-F1086 WeakPolarHBondContact ND2-CZ 3.42Å; L1051-F1086 HydrophobicContact CD1-CD2 4.4Å; L1051-F1086 HydrophobicContact CD1-CE2 4Å; A1082-F1086 PolarHBondContact O-N 2.97Å; F1086-Q1088 VanDerWaalsContact C-N 3.29Å; F1086-F1089 HydrophobicContact CD1-CD2 4.26Å; F1086-F1089 HydrophobicContact CE1-CD2 4.41Å; F1086-L1094 HydrophobicContact CB-CD1 4.44Å; F1086-M1096 HydrophobicContact CB-CE 3.62Å; F1086-M1096 WeakPolarHBondContact O-CE 3.39Å
1087	T	85	Confident	88.2	Confident	93 Å²	93	66.8 Å²	66.8	57%	0.571	34%	0.341	S	S	*	.	S	Bend	trans	-72.6	-26.2	169.7	56.3	0	0	0	0	112.2	L1094	T1087-L1094 PolarHBondContact O-N 2.9Å
1088	Q	86.4	Confident	88.4	Confident	113 Å²	113	64 Å²	64	53%	0.528	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.7	176.5	-78.1	177.2	-6.9	0	0	110.5	F1086 R1092 D1093	F1086-Q1088 VanDerWaalsContact C-N 3.29Å; Q1088-R1092 CarbonylContact C-O 3.54Å; Q1088-R1092 WeakPolarHBondContact CA-O 3.21Å; Q1088-D1093 WeakPolarHBondContact CG-OD1 3.47Å; Q1088-D1093 PolarHBondContact NE2-OD1 3.45Å
1089	F	85.9	Confident	88.1	Confident	24 Å²	24	66.3 Å²	66.3	11%	0.105	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.9	173.4	-165.1	-108.2	0	0	0	110	D1038 N1041 F1042 A1045 F1086 G1091 R1092 L1094	D1038-F1089 HydrophobicContact CB-CD1 4.39Å; D1038-F1089 HydrophobicContact CB-CE1 4.13Å; N1041-F1089 HydrophobicContact CB-CE1 3.96Å; N1041-F1089 HydrophobicContact CB-CZ 3.79Å; F1042-F1089 HydrophobicContact CB-CD1 4.3Å; F1042-F1089 HydrophobicContact CB-CE1 3.82Å; F1042-F1089 HydrophobicContact CB-CZ 3.98Å; F1042-F1089 HydrophobicContact CD2-CD1 4.22Å; F1042-F1089 AromaticContact CD2-CD2 3.97Å; F1042-F1089 HydrophobicContact CD2-CD2 3.97Å; F1042-F1089 HydrophobicContact CD2-CE1 4.39Å; F1042-F1089 HydrophobicContact CD2-CE2 4.16Å; F1042-F1089 HydrophobicContact CD2-CG 4.01Å; F1042-F1089 HydrophobicContact CD2-CZ 4.37Å; A1045-F1089 HydrophobicContact CB-CE2 3.86Å; A1045-F1089 HydrophobicContact CB-CZ 4.41Å; F1086-F1089 HydrophobicContact CD1-CD2 4.26Å; F1086-F1089 HydrophobicContact CE1-CD2 4.41Å; F1089-G1091 PolarHBondContact O-N 2.75Å; F1089-R1092 PolarHBondContact N-O 3.14Å; F1089-R1092 PolarHBondContact O-N 2.98Å; F1089-L1094 HydrophobicContact CB-CD1 3.65Å; F1089-L1094 HydrophobicContact CB-CD2 4.17Å; F1089-L1094 HydrophobicContact CB-CG 3.89Å
1090	H	85.5	Confident	87.7	Confident	120 Å²	120	70.3 Å²	70.3	56%	0.556	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	35.6	-169	-65.3	131.4	0	0	0	115.3	D1038 R1092	D1038-H1090 VanDerWaalsContact CG-ND1 3.32Å; D1038-H1090 IonicContact OD1-CE1 2.76Å; D1038-H1090 PolarHBondContact OD1-CE1 3.21Å; D1038-H1090 IonicContact OD1-CG 2.68Å; D1038-H1090 IonicContact OD1-ND1 2.68Å; D1038-H1090 PolarHBondContact OD1-ND1 3.37Å; D1038-H1090 IonicContact OD2-ND1 2.76Å; D1038-H1090 PolarHBondContact OD2-ND1 3.2Å; H1090-R1092 VanDerWaalsContact C-N 3.32Å; H1090-R1092 PolarHBondContact O-N 2.76Å
1091	G	81.9	Confident	86.7	Confident	68 Å²	68	70 Å²	70	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.1	178.7	0	0	0	0	0	115.5	F1089	F1089-G1091 PolarHBondContact O-N 2.75Å
1092	R	83.8	Confident	85.1	Confident	78 Å²	78	73.1 Å²	73.1	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.4	169.4	-52.3	-173.5	-159.2	78	-4.5	109.7	E1035 D1038 Q1088 F1089 H1090	E1035-R1092 VanDerWaalsContact CD-CZ 3.45Å; E1035-R1092 IonicContact OE1-CZ 2.63Å; E1035-R1092 IonicContact OE1-NE 3.13Å; E1035-R1092 PolarHBondContact OE1-NE 2.68Å; E1035-R1092 IonicContact OE1-NH2 2.68Å; E1035-R1092 PolarHBondContact OE1-NH2 3.1Å; E1035-R1092 IonicContact OE2-CZ 3.33Å; E1035-R1092 IonicContact OE2-NE 3.01Å; E1035-R1092 IonicContact OE2-NH2 3.41Å; E1035-R1092 PolarHBondContact OE2-NH2 3.5Å; D1038-R1092 IonicContact OD2-CZ 2.75Å; D1038-R1092 IonicContact OD2-NH1 3.99Å; D1038-R1092 PolarHBondContact OD2-NH1 3.28Å; D1038-R1092 IonicContact OD2-NH2 2.98Å; Q1088-R1092 CarbonylContact C-O 3.54Å; Q1088-R1092 WeakPolarHBondContact CA-O 3.21Å; F1089-R1092 PolarHBondContact N-O 3.14Å; F1089-R1092 PolarHBondContact O-N 2.98Å; H1090-R1092 VanDerWaalsContact C-N 3.32Å; H1090-R1092 PolarHBondContact O-N 2.76Å
1093	D	87.1	Confident	82.8	Confident	118 Å²	118	77.3 Å²	77.3	63%	0.631	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	131	170.8	-72.3	-41.5	0	0	0	110.1	Q1088	Q1088-D1093 WeakPolarHBondContact CG-OD1 3.47Å; Q1088-D1093 PolarHBondContact NE2-OD1 3.45Å
1094	L	89.1	Confident	80.4	Confident	18 Å²	18	80 Å²	80	9%	0.094	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-97.2	124.2	176.8	-66.5	-166.7	0	0	0	111.1	I1031 I1034 F1042 F1086 T1087 F1089 M1096	I1031-L1094 HydrophobicContact CG2-CD1 4.35Å; I1034-L1094 HydrophobicContact CD1-CD1 4.37Å; I1034-L1094 HydrophobicContact CD1-CD2 4.4Å; I1034-L1094 HydrophobicContact CG1-CD1 4.42Å; I1034-L1094 HydrophobicContact CG1-CD2 3.6Å; F1042-L1094 HydrophobicContact CD2-CD1 4.11Å; F1042-L1094 HydrophobicContact CE2-CD1 3.62Å; F1042-L1094 HydrophobicContact CZ-CD1 4.3Å; F1086-L1094 HydrophobicContact CB-CD1 4.44Å; T1087-L1094 PolarHBondContact O-N 2.9Å; F1089-L1094 HydrophobicContact CB-CD1 3.65Å; F1089-L1094 HydrophobicContact CB-CD2 4.17Å; F1089-L1094 HydrophobicContact CB-CG 3.89Å; L1094-M1096 HydrophobicContact CB-CE 4.11Å; L1094-M1096 HydrophobicContact CD1-CE 3.61Å
1095	Q	87.5	Confident	77.8	Confident	127 Å²	127	79.8 Å²	79.8	59%	0.593	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	112.5	172.4	175.2	-179.9	15.9	0	0	109	I1031 T1032	I1031-Q1095 WeakPolarHBondContact CA-O 3.49Å; T1032-Q1095 PolarHBondContact N-O 2.83Å; T1032-Q1095 PolarHBondContact O-N 3.42Å; T1032-Q1095 WeakPolarHBondContact OG1-CB 3.42Å; T1032-Q1095 PolarHBondContact OG1-O 3.26Å; T1032-Q1095 PolarHBondContact OG1-OE1 3.05Å
1096	M	90.4	Very high	75.2	Confident	30 Å²	30	81.7 Å²	81.7	15%	0.148	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.5	-179.6	-60.7	-165.1	178.1	0	0	111.6	Y1030 I1031 F1042 I1083 F1086 L1094	Y1030-M1096 WeakPolarHBondContact O-CA 3.33Å; I1031-M1096 HydrophobicContact CD1-CE 4.06Å; I1031-M1096 HydrophobicContact CD1-SD 4.37Å; I1031-M1096 HydrophobicContact CG1-CE 4.42Å; I1031-M1096 HydrophobicContact CG1-CG 4.08Å; I1031-M1096 HydrophobicContact CG1-SD 4.41Å; I1031-M1096 HydrophobicContact CG2-CE 4.09Å; I1031-M1096 HydrophobicContact CG2-CG 4.13Å; F1042-M1096 HydrophobicContact CE2-CE 4.03Å; F1042-M1096 HydrophobicContact CZ-CE 3.68Å; I1083-M1096 HydrophobicContact CG1-CB 3.97Å; I1083-M1096 HydrophobicContact CG1-SD 4.18Å; F1086-M1096 HydrophobicContact CB-CE 3.62Å; F1086-M1096 WeakPolarHBondContact O-CE 3.39Å; L1094-M1096 HydrophobicContact CB-CE 4.11Å; L1094-M1096 HydrophobicContact CD1-CE 3.61Å
1097	S	89.9	Confident	72.6	Confident	32 Å²	32	91.4 Å²	91.4	22%	0.224	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.3	-179.8	56.1	0	0	0	0	113.5	Y1030 V1099	Y1030-S1097 PolarHBondContact N-O 3.31Å; Y1030-S1097 PolarHBondContact O-N 3.04Å; S1097-V1099 WeakPolarHBondContact CB-O 3.3Å; S1097-V1099 PolarHBondContact O-N 3.38Å; S1097-V1099 PolarHBondContact OG-O 2.96Å
1098	F	90.8	Very high	70.2	Confident	49 Å²	49	90.8 Å²	90.8	22%	0.215	50%	0.504	C	S	.	.	S	Bend	trans	-79.6	6.3	171	-69.9	-70	0	0	0	113.6	P1026 T1028 L1029 R1076 A1079 E1080 I1083	P1026-F1098 HydrophobicContact CG-CB 4.03Å; P1026-F1098 HydrophobicContact CG-CD1 4.31Å; P1026-F1098 HydrophobicContact CG-CG 4.42Å; T1028-F1098 WeakPolarHBondContact O-CD1 3.28Å; L1029-F1098 HydrophobicContact CD1-CE1 4.32Å; L1029-F1098 HydrophobicContact CD1-CZ 4.45Å; L1029-F1098 HydrophobicContact CD2-CD1 3.49Å; L1029-F1098 VanDerWaalsContact CD2-CD1 3.49Å; L1029-F1098 HydrophobicContact CD2-CD2 4.07Å; L1029-F1098 HydrophobicContact CD2-CE1 3.46Å; L1029-F1098 VanDerWaalsContact CD2-CE1 3.46Å; L1029-F1098 HydrophobicContact CD2-CE2 4.05Å; L1029-F1098 HydrophobicContact CD2-CG 3.8Å; L1029-F1098 HydrophobicContact CD2-CZ 3.75Å; L1029-F1098 HydrophobicContact CG-CD1 4.03Å; L1029-F1098 HydrophobicContact CG-CE1 3.72Å; L1029-F1098 HydrophobicContact CG-CZ 4.23Å; R1076-F1098 VanDerWaalsContact NH1-CG 3.33Å; A1079-F1098 HydrophobicContact CB-CE1 3.69Å; A1079-F1098 HydrophobicContact CB-CZ 4.03Å; E1080-F1098 HydrophobicContact CG-CE2 4.42Å; E1080-F1098 HydrophobicContact CG-CZ 4.06Å; I1083-F1098 HydrophobicContact CD1-CD2 4.14Å; I1083-F1098 HydrophobicContact CD1-CE2 3.27Å; I1083-F1098 HydrophobicContact CD1-CZ 3.58Å
1099	V	86.2	Confident	67.7	Low	108 Å²	108	88.9 Å²	88.9	66%	0.655	52%	0.515	S	S	*	.	S	Bend	trans	-128.9	138.1	178.3	-174.9	0	0	0	0	105.4	S1097	S1097-V1099 WeakPolarHBondContact CB-O 3.3Å; S1097-V1099 PolarHBondContact O-N 3.38Å; S1097-V1099 PolarHBondContact OG-O 2.96Å
1100	Y	82.6	Confident	65	Low	84 Å²	84	95.5 Å²	95.5	33%	0.329	55%	0.551	S	S	.	*			trans	-56.8	139.6	174.9	-171.8	-91.3	0	0	0	109.7	Y1030 V1068 A1102	Y1030-Y1100 AromaticContact CD1-CD2 3.69Å; Y1030-Y1100 HydrophobicContact CD1-CD2 3.69Å; Y1030-Y1100 HydrophobicContact CD1-CE2 4.36Å; Y1030-Y1100 AromaticContact CE1-CD2 3.75Å; Y1030-Y1100 HydrophobicContact CE1-CD2 3.75Å; Y1030-Y1100 HydrophobicContact CG-CD2 4.24Å; V1068-Y1100 HydrophobicContact CG1-CE2 4.48Å; Y1100-A1102 PolarHBondContact O-N 3.38Å
1101	P	70.6	Confident	62.5	Low	30 Å²	30	99.7 Å²	99.7	20%	0.195	57%	0.568	C	S	.	*			trans	-57.8	110.2	-179.5	-24.8	34.9	0	0	0	111	T1032 V1068 L1103	T1032-P1101 HydrophobicContact CG2-CG 4.02Å; V1068-P1101 HydrophobicContact CG1-CG 4.38Å; P1101-L1103 PolarHBondContact O-N 3.23Å
1102	A	56.3	Low	60.3	Low	94 Å²	94	102.7 Å²	102.7	78%	0.777	57%	0.566	S	S	*	*			trans	-66.7	121.7	178.1	0	0	0	0	0	109.3	Y1100 S1104	Y1100-A1102 PolarHBondContact O-N 3.38Å; A1102-S1104 PolarHBondContact O-N 3.19Å
1103	L	43.1	Very low	58	Low	87 Å²	87	105.3 Å²	105.3	46%	0.455	59%	0.586	S	S	.	*			trans	-59	102.3	175.2	-74.2	157.8	0	0	0	109.3	E1063 T1064 P1101 E1105	E1063-L1103 HydrophobicContact CB-CD2 4.44Å; E1063-L1103 WeakPolarHBondContact OE2-CD1 3.47Å; T1064-L1103 HydrophobicContact CG2-CD2 3.93Å; P1101-L1103 PolarHBondContact O-N 3.23Å; L1103-E1105 PolarHBondContact O-N 3Å
1104	S	41	Very low	55.4	Low	114 Å²	114	105.7 Å²	105.7	80%	0.797	59%	0.588	S	S	*	*			trans	-82	108.9	171.6	63.9	0	0	0	0	108.7	A1102	A1102-S1104 PolarHBondContact O-N 3.19Å
1105	E	34.9	Very low	52.9	Low	180 Å²	180	111.8 Å²	111.8	84%	0.841	62%	0.621	S	S	*	*			trans	-47.7	149.5	175.2	-62.7	173.4	143.5	0	0	112.1	L1103 K1107	L1103-E1105 PolarHBondContact O-N 3Å; E1105-K1107 PolarHBondContact O-N 3.19Å
1106	T	31.8	Very low	50.3	Low	135 Å²	135	109.4 Å²	109.4	83%	0.828	62%	0.623	S	S	*	*			trans	-60.1	119.4	-173.4	40.5	0	0	0	0	111.7	A1108	T1106-A1108 PolarHBondContact O-N 2.78Å
1107	K	34.4	Very low	47.8	Very low	217 Å²	217	117.1 Å²	117.1	94%	0.943	66%	0.656	S	S	*	*			trans	-72.5	66.4	169.7	-78	-171.8	173.9	178.9	0	111.8	E1105	E1105-K1107 PolarHBondContact O-N 3.19Å
1108	A	34.2	Very low	45	Very low	81 Å²	81	123.9 Å²	123.9	67%	0.669	68%	0.684	S	S	*	*			trans	-77.4	144.1	166	0	0	0	0	0	110.6	T1106	T1106-A1108 PolarHBondContact O-N 2.78Å
1109	G	33.9	Very low	42.3	Very low	73 Å²	73	127 Å²	127	75%	0.753	71%	0.707	S	S	*	*			trans	54.6	102.7	156.3	0	0	0	0	0	118.8	F1111	G1109-F1111 PolarHBondContact O-N 3.16Å; G1109-F1111 VanDerWaalsContact O-N 3.16Å
1110	N	30.2	Very low	39.6	Very low	162 Å²	162	126.5 Å²	126.5	87%	0.866	71%	0.708	S	S	*	*			trans	-63.2	114.1	151.9	-67.3	-51.8	0	0	0	108.8
1111	F	33.4	Very low	37.2	Very low	209 Å²	209	127.9 Å²	127.9	92%	0.917	73%	0.73	S	S	*	*			trans	-132.3	160.5	152.6	-110.6	-87	0	0	0	110.5	G1109	G1109-F1111 PolarHBondContact O-N 3.16Å; G1109-F1111 VanDerWaalsContact O-N 3.16Å
1112	I	36.1	Very low	35.3	Very low	130 Å²	130	131.4 Å²	131.4	67%	0.667	75%	0.751	S	S	*	*			trans	-130	138.8	-150	-68.1	165.5	0	0	0	109.1
1113	D	34.3	Very low	34	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	75%	0.753	S	S	*	*			trans	63.4	153.2	168.6	-64.2	-14.3	0	0	0	115.6
1114	N	33	Very low	33.5	Very low	126 Å²	126	137.4 Å²	137.4	67%	0.674	76%	0.763	S	S	*	*			cis	-158.4	-175.1	-21.4	-110.3	-34.8	0	0	0	109
1115	D	36.1	Very low	33.2	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	76%	0.76	S	S	*	*			trans	67.5	85	152.8	-65.8	-42.1	0	0	0	121
1116	A	33.2	Very low	33	Very low	78 Å²	78	136.6 Å²	136.6	65%	0.645	76%	0.755	S	S	*	*				79.7	153	108.2	0	0	0	0	0	122.6
1117	K	37.1	Very low	33.2	Very low	192 Å²	192	135 Å²	135	84%	0.835	75%	0.75	S	S	*	*			trans	79.9	118.2	164.6	-66.2	150.5	-173.8	169.3	0	115.9
1118	H	31.4	Very low	33.1	Very low	173 Å²	173	131 Å²	131	80%	0.801	74%	0.739	S	S	*	*				70.7	103.5	87.5	-127.3	-90.9	0	0	0	109.6
1119	V	35.4	Very low	33.2	Very low	116 Å²	116	135.1 Å²	135.1	70%	0.703	74%	0.744	S	S	*	*				-175.9	121.2	76.1	153.7	0	0	0	0	105.2
1120	S	29	Very low	33.1	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	74%	0.743	S	S	*	*				58.1	118.9	75.2	-62.2	0	0	0	0	116.1
1121	S	30.9	Very low	33.1	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	74%	0.741	S	S	*	*			trans	70.5	155	163.5	-54.3	0	0	0	0	116.2
1122	T	30.8	Very low	32.8	Very low	103 Å²	103	132.6 Å²	132.6	63%	0.632	73%	0.727	S	S	*	*			cis	-165.8	144.1	-11	16.7	0	0	0	0	109.8
1123	Q	30.7	Very low	32.9	Very low	178 Å²	178	133.7 Å²	133.7	83%	0.832	73%	0.733	S	S	*	*			trans	61.6	-176	158.3	-60.5	161.9	-40.8	0	0	112.6
1124	I	32.3	Very low	32.6	Very low	129 Å²	129	132.6 Å²	132.6	66%	0.662	73%	0.731	S	S	*	*			cis	-150.6	158.3	25.6	-88.4	-173.1	0	0	0	109.4
1125	E	34	Very low	32.8	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.734	74%	0.736	S	S	*	*			trans	22.6	119.1	158.5	-74.4	129.4	-137.1	0	0	120.9
1126	T	31.8	Very low	32.6	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	73%	0.732	S	S	*	*				73.5	148	69.5	63.7	0	0	0	0	116.6
1127	S	34.2	Very low	32.9	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	74%	0.741	S	S	*	*			trans	70.8	153	163.9	-70.5	0	0	0	0	116.7
1128	D	33.8	Very low	32.8	Very low	133 Å²	133	130.3 Å²	130.3	71%	0.711	74%	0.736	S	S	*	*			cis	-163.9	-171.1	-20.4	-113.5	-52.8	0	0	0	108.6
1129	Q	36.1	Very low	33.1	Very low	166 Å²	166	130.1 Å²	130.1	78%	0.776	74%	0.74	S	S	*	*			trans	83.2	126.2	163.8	-48.2	-171.6	20.7	0	0	114.3
1130	L	31.4	Very low	33	Very low	142 Å²	142	131.5 Å²	131.5	74%	0.743	74%	0.743	S	S	*	*				66.4	137.3	55.8	-55.3	167.8	0	0	0	110.9
1131	Q	29.6	Very low	33.5	Very low	173 Å²	173	137.8 Å²	137.8	81%	0.808	75%	0.754	S	S	*	*			cis	-157.4	-166	6	-135.5	162.5	-7.1	0	0	111.9
1132	A	28.6	Very low	33.7	Very low	76 Å²	76	136.9 Å²	136.9	63%	0.628	75%	0.748	S	S	*	*			trans	-43.7	161.4	-179.1	0	0	0	0	0	119
1133	I	36.7	Very low	33.9	Very low	153 Å²	153	135.4 Å²	135.4	79%	0.785	75%	0.746	S	S	*	*				176.9	100.4	123	-88.6	151.8	0	0	0	105.7
1134	T	29.7	Very low	34.2	Very low	111 Å²	111	134.9 Å²	134.9	68%	0.681	74%	0.743	S	S	*	*				63.7	148.9	81.6	63.6	0	0	0	0	115.7
1135	S	35.6	Very low	34.4	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	75%	0.75	S	S	*	*			trans	81.5	147.5	173.4	-51.5	0	0	0	0	116.6
1136	S	33.6	Very low	34.5	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	76%	0.755	S	S	*	*			cis	173.6	169	-38.4	46.4	0	0	0	0	107.9
1137	E	38.4	Very low	34.8	Very low	180 Å²	180	131.4 Å²	131.4	84%	0.841	75%	0.753	S	S	*	*			trans	94.6	113.2	-179.9	-54.9	-179.5	141.9	0	0	113.6
1138	S	35.1	Very low	35	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	76%	0.759	S	S	*	*			cis	80.5	116.4	28.7	88.6	0	0	0	0	115.9
1139	L	38	Very low	35.2	Very low	168 Å²	168	131.6 Å²	131.6	88%	0.88	76%	0.759	S	S	*	*			trans	-170.3	137	138.6	-104.5	166.5	0	0	0	110.5
1140	D	33.7	Very low	35.4	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	76%	0.758	S	S	*	*			trans	-87.6	171.2	-179.5	-55.8	-86.3	0	0	0	113.1
1141	Y	37.9	Very low	35.8	Very low	228 Å²	228	127.9 Å²	127.9	89%	0.894	76%	0.758	S	S	*	*				-162	146	125.4	-128	-97.9	0	0	0	116
1142	S	35.5	Very low	36.4	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	75%	0.753	S	S	*	*			trans	-62.3	178.1	175.7	-61.2	0	0	0	0	116.6
1143	A	35.3	Very low	37	Very low	72 Å²	72	127.5 Å²	127.5	60%	0.595	76%	0.762	S	S	*	*			cis	178.1	-167.5	-29	0	0	0	0	0	109.2
1144	H	37.9	Very low	37.1	Very low	166 Å²	166	126.7 Å²	126.7	77%	0.769	76%	0.759	S	S	*	*			trans	78.6	113.7	166.2	-44.7	-70.7	0	0	0	117.5
1145	S	34.9	Very low	37.6	Very low	114 Å²	114	127.1 Å²	127.1	80%	0.797	76%	0.762	S	S	*	*				76.3	145.5	93	85.2	0	0	0	0	115.4
1146	S	37.3	Very low	38	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	76%	0.764	S	S	*	*			cis	-153.3	-148.4	26.2	63.6	0	0	0	0	114.4
1147	S	37.4	Very low	38.6	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	77%	0.765	S	S	*	*			trans	-133.8	155.8	-150.9	57.5	0	0	0	0	116.9
1148	T	39	Very low	39.1	Very low	137 Å²	137	132.9 Å²	132.9	84%	0.84	79%	0.786	S	S	*	*			trans	-176.6	126	138.1	25.3	0	0	0	0	110.7
1149	S	38.3	Very low	39.3	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	79%	0.789	S	S	*	*				62	123.1	88.3	-151.4	0	0	0	0	113.7
1150	S	39.8	Very low	39.3	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	78%	0.784	S	S	*	*				-173	179.2	52	-69.5	0	0	0	0	110.6
1151	T	39.9	Very low	39.7	Very low	123 Å²	123	131.9 Å²	131.9	76%	0.755	78%	0.784	S	S	*	*			cis	-178.3	156.5	-30.8	-75.9	0	0	0	0	108.9
1152	A	40.8	Very low	39.8	Very low	85 Å²	85	126.3 Å²	126.3	70%	0.702	78%	0.778	S	S	*	*			trans	74	149.7	165.6	0	0	0	0	0	119.3
1153	L	42.2	Very low	40	Very low	155 Å²	155	128.2 Å²	128.2	81%	0.812	79%	0.785	S	S	*	*			cis	-156.9	167.7	-10.1	-117.3	172.2	0	0	0	113.4
1154	N	39.1	Very low	40.3	Very low	136 Å²	136	131.9 Å²	131.9	73%	0.727	80%	0.797	S	S	*	*			trans	-67.3	177.7	171.7	-58.9	-38.2	0	0	0	113.4
1155	T	40	Very low	40.5	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	80%	0.799	S	S	*	*			cis	-167.8	163.5	12.7	-11.9	0	0	0	0	112.8
1156	M	43.8	Very low	40.9	Very low	166 Å²	166	130.7 Å²	130.7	82%	0.818	80%	0.8	S	S	*	*			trans	74.7	129.2	142.5	-91.9	179.7	164.8	0	0	125.2
1157	S	45.8	Very low	41.3	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	80%	0.796	S	S	*	*			trans	61	106.8	133.9	-54.2	0	0	0	0	122.2
1158	L	49	Very low	41.6	Very low	244 Å²	244	134.4 Å²	134.4	100%	1.277	80%	0.804	S	S	*	*				-144.5	0	90	-117.3	170.7	0	0	0	110.8

Retrieved 1,158 of 1,158 residues in 1964.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).