A0A5K4FB97_SCHMA Loading...

Guanylate kinase-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 711 aa.

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(Predicted Aligned Error values between residue pairs)

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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	28.9	Very low	33.1	Very low	168 Å²	168	111.2 Å²	111.2	83%	0.828	59%	0.591	S	S	*	*				0	-38.3	0	-88.6	-162.4	-163.5	0	0	112.9	T3 N16	M1-T3 PolarHBondContact O-N 3.12Å; M1-N16 VanDerWaalsContact CE-ND2 3.33Å; M1-N16 WeakPolarHBondContact CE-ND2 3.42Å
2	S	29.2	Very low	33.8	Very low	111 Å²	111	112.7 Å²	112.7	78%	0.776	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-18	-172.9	48.1	0	0	0	0	116.4
3	T	30	Very low	34.4	Very low	125 Å²	125	108.5 Å²	108.5	77%	0.767	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	1.6	-177.1	50	0	0	0	0	114.6	M1	M1-T3 PolarHBondContact O-N 3.12Å
4	L	33.9	Very low	35.2	Very low	88 Å²	88	103.8 Å²	103.8	46%	0.461	54%	0.543	S	S	.	.	S	Bend	trans	-111.9	0.3	-170.9	-80.1	154.8	0	0	0	114.2	L11	L4-L11 WeakPolarHBondContact O-CD1 3.16Å
5	T	35.2	Very low	36.3	Very low	74 Å²	74	110.3 Å²	110.3	45%	0.454	56%	0.557	S	S	.	*	S	Bend	trans	-88.2	-11.6	-177.6	46.4	0	0	0	0	114.4
6	E	32.4	Very low	37.3	Very low	174 Å²	174	106.7 Å²	106.7	81%	0.813	54%	0.54	S	S	*	.	S	Bend	trans	-86	-35	-172	-71.5	-175	162.4	0	0	113.8
7	E	32	Very low	38.2	Very low	189 Å²	189	102.1 Å²	102.1	88%	0.883	52%	0.52	S	S	*	.	S	Bend	trans	-100.1	-14.3	-171.1	-70.7	-172.9	155.8	0	0	115.9
8	N	33.8	Very low	38.9	Very low	68 Å²	68	103.7 Å²	103.7	36%	0.364	54%	0.538	S	S	.	.			trans	-112.9	99.4	176.3	-87.5	-42.5	0	0	0	110.7	C10 L11	N8-C10 PolarHBondContact O-N 3.2Å; N8-L11 HydrophobicContact CB-CB 3.99Å; N8-L11 HydrophobicContact CB-CD1 3.67Å; N8-L11 HydrophobicContact CB-CG 3.62Å; N8-L11 PolarHBondContact O-N 3.29Å
9	H	36.3	Very low	39.7	Very low	155 Å²	155	104.1 Å²	104.1	72%	0.718	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-25.5	170.4	-107.2	-86.1	0	0	0	112.7
10	C	34.8	Very low	40.5	Very low	44 Å²	44	103.2 Å²	103.2	30%	0.297	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-27.3	175.2	-60.7	0	0	0	0	114.5	N8 K12 F25 L39	N8-C10 PolarHBondContact O-N 3.2Å; C10-K12 VanDerWaalsContact C-N 3.34Å; C10-K12 PolarHBondContact O-N 3.05Å; C10-F25 HydrophobicContact CB-CZ 4.3Å; C10-F25 VanDerWaalsContact O-CE2 3.22Å; C10-F25 WeakPolarHBondContact O-CE2 3.31Å; C10-L39 HydrophobicContact CB-CD2 4.32Å
11	L	37.2	Very low	41.3	Very low	27 Å²	27	102.8 Å²	102.8	14%	0.141	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-75.5	-20.1	-178.2	-75.6	177.3	0	0	0	113.1	L4 N8 N13 L14 L39	L4-L11 WeakPolarHBondContact O-CD1 3.16Å; N8-L11 HydrophobicContact CB-CB 3.99Å; N8-L11 HydrophobicContact CB-CD1 3.67Å; N8-L11 HydrophobicContact CB-CG 3.62Å; N8-L11 PolarHBondContact O-N 3.29Å; L11-N13 PolarHBondContact O-N 3.47Å; L11-N13 VanDerWaalsContact O-N 3.13Å; L11-L14 HydrophobicContact CD2-CD1 3.41Å; L11-L14 VanDerWaalsContact CD2-CD1 3.41Å; L11-L14 PolarHBondContact O-N 3.08Å; L11-L39 HydrophobicContact CD2-CD2 3.46Å; L11-L39 VanDerWaalsContact CD2-CD2 3.46Å; L11-L39 HydrophobicContact CD2-CG 3.97Å; L11-L39 HydrophobicContact CG-CD2 4.02Å; L11-L39 HydrophobicContact CG-CG 4.44Å
12	K	42.2	Very low	42.6	Very low	129 Å²	129	96.8 Å²	96.8	56%	0.561	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21.3	178.7	-73.4	-178.5	177.9	173.1	0	113.3	C10	C10-K12 VanDerWaalsContact C-N 3.34Å; C10-K12 PolarHBondContact O-N 3.05Å
13	N	41.1	Very low	44.2	Very low	58 Å²	58	92.8 Å²	92.8	31%	0.31	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-94.2	-5.7	-178.3	-68.5	-4.4	0	0	0	114	L11 R15 H24 S26	L11-N13 PolarHBondContact O-N 3.47Å; L11-N13 VanDerWaalsContact O-N 3.13Å; N13-R15 PolarHBondContact O-N 3.13Å; N13-H24 VanDerWaalsContact O-O 3.06Å; N13-S26 PolarHBondContact ND2-O 3.25Å
14	L	45.7	Very low	45.3	Very low	43 Å²	43	90.2 Å²	90.2	23%	0.225	46%	0.455	C	S	.	.			trans	-74.3	94.6	173.6	-85.6	151	0	0	0	110	L11 F23 F25 L39	L11-L14 HydrophobicContact CD2-CD1 3.41Å; L11-L14 VanDerWaalsContact CD2-CD1 3.41Å; L11-L14 PolarHBondContact O-N 3.08Å; L14-F23 HydrophobicContact CD2-CB 4.24Å; L14-F23 HydrophobicContact CD2-CD1 4.01Å; L14-F23 HydrophobicContact CD2-CG 4.46Å; L14-F25 HydrophobicContact CD1-CD2 4.15Å; L14-F25 HydrophobicContact CD1-CE2 4.46Å; L14-F25 HydrophobicContact CD2-CB 4.45Å; L14-F25 HydrophobicContact CD2-CD2 4.13Å; L14-F25 HydrophobicContact CG-CD2 3.77Å; L14-F25 HydrophobicContact CG-CE2 4.43Å; L14-L39 HydrophobicContact CD1-CD2 4.23Å
15	R	51.1	Low	46.4	Very low	202 Å²	202	86.3 Å²	86.3	76%	0.762	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.8	165.3	-66.6	-173.5	-178.7	-174	1.9	108.2	N13 H24	N13-R15 PolarHBondContact O-N 3.13Å; R15-H24 PolarHBondContact N-O 3.01Å; R15-H24 PolarHBondContact O-N 2.93Å
16	N	52.8	Low	47.1	Very low	52 Å²	52	84.6 Å²	84.6	28%	0.278	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.7	176.8	-166	6.3	0	0	0	109.5	M1 N20 F23	M1-N16 VanDerWaalsContact CE-ND2 3.33Å; M1-N16 WeakPolarHBondContact CE-ND2 3.42Å; N16-N20 PolarHBondContact ND2-OD1 3.09Å; N16-N20 WeakPolarHBondContact OD1-CA 3.3Å; N16-F23 HydrophobicContact CB-CE1 4.28Å; N16-F23 WeakPolarHBondContact OD1-CE1 3.47Å
17	S	52	Low	47.8	Very low	29 Å²	29	84.1 Å²	84.1	20%	0.203	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-71.3	152.1	162.2	54	0	0	0	0	109.7	N19 N20 S22	S17-N19 PolarHBondContact O-N 3.49Å; S17-N20 PolarHBondContact O-N 3.27Å; S17-N20 VanDerWaalsContact O-N 3.08Å; S17-S22 WeakPolarHBondContact CB-OG 3.23Å; S17-S22 PolarHBondContact N-O 3.32Å; S17-S22 PolarHBondContact OG-N 3.37Å; S17-S22 PolarHBondContact OG-OG 3.44Å
18	P	52.3	Low	48.6	Very low	130 Å²	130	75.5 Å²	75.5	84%	0.844	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-18.7	176.4	17.9	-30.1	0	0	0	113.9
19	N	52.9	Low	49.1	Very low	112 Å²	112	76.6 Å²	76.6	60%	0.599	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	2.9	-176.6	-61.1	1.9	0	0	0	114.3	S17 Q21	S17-N19 PolarHBondContact O-N 3.49Å; N19-Q21 HydrophobicContact CB-CB 4.49Å; N19-Q21 HydrophobicContact CB-CG 4.25Å; N19-Q21 PolarHBondContact O-N 3.48Å
20	N	56.7	Low	49.8	Very low	85 Å²	85	69.4 Å²	69.4	46%	0.455	36%	0.357	S	S	.	.	S	Bend	trans	55.8	17.7	-174.1	-68.8	-5	0	0	0	115	N16 S17	N16-N20 PolarHBondContact ND2-OD1 3.09Å; N16-N20 WeakPolarHBondContact OD1-CA 3.3Å; S17-N20 PolarHBondContact O-N 3.27Å; S17-N20 VanDerWaalsContact O-N 3.08Å
21	Q	57.4	Low	50.4	Low	96 Å²	96	69.7 Å²	69.7	45%	0.449	36%	0.36	S	S	.	.	S	Bend	trans	-93.4	-15.1	-176.7	-75.9	174.3	-16.1	0	0	113	N19 L48 T49 S50	N19-Q21 HydrophobicContact CB-CB 4.49Å; N19-Q21 HydrophobicContact CB-CG 4.25Å; N19-Q21 PolarHBondContact O-N 3.48Å; Q21-L48 WeakPolarHBondContact O-CD1 3.47Å; Q21-T49 PolarHBondContact O-N 3.48Å; Q21-T49 PolarHBondContact O-OG1 3.17Å; Q21-T49 VanDerWaalsContact O-OG1 3.08Å; Q21-S50 PolarHBondContact O-N 3.46Å
22	S	55.1	Low	50.9	Low	41 Å²	41	72.6 Å²	72.6	29%	0.287	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	127.6	-177.9	65.2	0	0	0	0	111.4	S17 S50	S17-S22 WeakPolarHBondContact CB-OG 3.23Å; S17-S22 PolarHBondContact N-O 3.32Å; S17-S22 PolarHBondContact OG-N 3.37Å; S17-S22 PolarHBondContact OG-OG 3.44Å; S22-S50 VanDerWaalsContact CA-O 3.32Å; S22-S50 WeakPolarHBondContact CA-O 3.48Å
23	F	62.6	Low	51.1	Low	27 Å²	27	67.9 Å²	67.9	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.4	173.1	-68	-75.6	0	0	0	110.5	L14 N16 I43 L48 S50 L51 N52	L14-F23 HydrophobicContact CD2-CB 4.24Å; L14-F23 HydrophobicContact CD2-CD1 4.01Å; L14-F23 HydrophobicContact CD2-CG 4.46Å; N16-F23 HydrophobicContact CB-CE1 4.28Å; N16-F23 WeakPolarHBondContact OD1-CE1 3.47Å; F23-I43 HydrophobicContact CD1-CD1 4.14Å; F23-I43 HydrophobicContact CD2-CD1 3.98Å; F23-I43 HydrophobicContact CD2-CG2 3.91Å; F23-I43 HydrophobicContact CE1-CD1 4.23Å; F23-I43 HydrophobicContact CE2-CD1 4.16Å; F23-I43 HydrophobicContact CE2-CG2 3.4Å; F23-I43 HydrophobicContact CG-CD1 4.03Å; F23-I43 HydrophobicContact CZ-CD1 4.28Å; F23-I43 HydrophobicContact CZ-CG2 3.94Å; F23-L48 HydrophobicContact CB-CD1 4.48Å; F23-L48 HydrophobicContact CD2-CD1 3.32Å; F23-L48 HydrophobicContact CD2-CD2 4.03Å; F23-L48 HydrophobicContact CD2-CG 4.24Å; F23-L48 HydrophobicContact CE2-CD1 3.9Å; F23-L48 HydrophobicContact CG-CD1 4.32Å; F23-S50 PolarHBondContact N-O 3.21Å; F23-L51 HydrophobicContact CB-CD1 4.15Å; F23-N52 PolarHBondContact O-N 3.12Å; F23-N52 VanDerWaalsContact O-N 3.1Å
24	H	53.6	Low	51.4	Low	72 Å²	72	70 Å²	70	33%	0.333	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.9	172.4	-173.3	-80	0	0	0	109.4	N13 R15 S26	N13-H24 VanDerWaalsContact O-O 3.06Å; R15-H24 PolarHBondContact N-O 3.01Å; R15-H24 PolarHBondContact O-N 2.93Å; H24-S26 PolarHBondContact CE1-OG 3.27Å
25	F	57.5	Low	51.6	Low	5 Å²	5	71.9 Å²	71.9	2%	0.022	38%	0.381	C	S	.	.			trans	-126.2	104.5	175.1	-168.9	-77.3	0	0	0	109.3	C10 L14 G28 L30 L39 N52 L53 N56	C10-F25 HydrophobicContact CB-CZ 4.3Å; C10-F25 VanDerWaalsContact O-CE2 3.22Å; C10-F25 WeakPolarHBondContact O-CE2 3.31Å; L14-F25 HydrophobicContact CD1-CD2 4.15Å; L14-F25 HydrophobicContact CD1-CE2 4.46Å; L14-F25 HydrophobicContact CD2-CB 4.45Å; L14-F25 HydrophobicContact CD2-CD2 4.13Å; L14-F25 HydrophobicContact CG-CD2 3.77Å; L14-F25 HydrophobicContact CG-CE2 4.43Å; F25-G28 VanDerWaalsContact CE1-CA 3.47Å; F25-L30 HydrophobicContact CD1-CD1 3.55Å; F25-L30 HydrophobicContact CD1-CG 4.49Å; F25-L30 HydrophobicContact CE1-CD1 3.12Å; F25-L30 HydrophobicContact CE1-CD2 4.17Å; F25-L30 HydrophobicContact CE1-CG 3.62Å; F25-L30 HydrophobicContact CE2-CD1 4.42Å; F25-L30 HydrophobicContact CG-CD1 4.37Å; F25-L30 HydrophobicContact CZ-CD1 3.65Å; F25-L30 HydrophobicContact CZ-CD2 3.89Å; F25-L30 HydrophobicContact CZ-CG 3.88Å; F25-L39 HydrophobicContact CE2-CD2 4.22Å; F25-N52 PolarHBondContact N-O 3.45Å; F25-L53 HydrophobicContact CB-CD2 3.9Å; F25-N56 WeakPolarHBondContact CD1-OD1 3.37Å; F25-N56 WeakPolarHBondContact CE1-OD1 3.3Å; F25-N56 PolarHBondContact O-ND2 2.88Å
26	S	49.9	Very low	51.6	Low	38 Å²	38	62.3 Å²	62.3	27%	0.266	35%	0.345	S	S	.	.			trans	-115.7	142.8	174.5	54.1	0	0	0	0	110.6	N13 H24	N13-S26 PolarHBondContact ND2-O 3.25Å; H24-S26 PolarHBondContact CE1-OG 3.27Å
27	E	46.6	Very low	51.3	Low	164 Å²	164	62.4 Å²	62.4	77%	0.766	34%	0.344	S	S	*	.	S	Bend	trans	68.4	32.7	169.5	-53.2	-179.9	167.2	0	0	116.5
28	G	50.2	Low	51.3	Low	8 Å²	8	68 Å²	68	8%	0.082	37%	0.367	C	S	.	.			trans	-99.2	133.7	166.4	0	0	0	0	0	111.2	F25 L30 N56	F25-G28 VanDerWaalsContact CE1-CA 3.47Å; G28-L30 PolarHBondContact O-N 3.33Å; G28-N56 PolarHBondContact N-OD1 2.7Å; G28-N56 VanDerWaalsContact N-OD1 3.11Å; G28-N56 PolarHBondContact O-OD1 3.25Å
29	N	43	Very low	51.2	Low	92 Å²	92	62.6 Å²	62.6	49%	0.492	33%	0.331	S	S	.	.			trans	-70	72.5	168.1	-174.6	22.5	0	0	0	110	S31 K57	N29-S31 PolarHBondContact O-N 2.96Å; N29-S31 VanDerWaalsContact O-N 3.08Å; N29-K57 WeakPolarHBondContact OD1-CD 3.29Å; N29-K57 WeakPolarHBondContact OD1-CE 3.4Å; N29-K57 PolarHBondContact OD1-NZ 3.15Å
30	L	50.6	Low	51.3	Low	3 Å²	3	57.6 Å²	57.6	2%	0.016	30%	0.304	C	S	.	.			trans	-85.7	50.8	177.7	-62.3	171.1	0	0	0	110.2	F25 G28 N32 L36 L58	F25-L30 HydrophobicContact CD1-CD1 3.55Å; F25-L30 HydrophobicContact CD1-CG 4.49Å; F25-L30 HydrophobicContact CE1-CD1 3.12Å; F25-L30 HydrophobicContact CE1-CD2 4.17Å; F25-L30 HydrophobicContact CE1-CG 3.62Å; F25-L30 HydrophobicContact CE2-CD1 4.42Å; F25-L30 HydrophobicContact CG-CD1 4.37Å; F25-L30 HydrophobicContact CZ-CD1 3.65Å; F25-L30 HydrophobicContact CZ-CD2 3.89Å; F25-L30 HydrophobicContact CZ-CG 3.88Å; G28-L30 PolarHBondContact O-N 3.33Å; L30-N32 PolarHBondContact O-N 2.84Å; L30-L36 HydrophobicContact CB-CD1 4.08Å; L30-L36 HydrophobicContact CB-CG 4.09Å; L30-L36 HydrophobicContact CD1-CD1 3.8Å; L30-L36 HydrophobicContact CD1-CD2 3.61Å; L30-L36 HydrophobicContact CD1-CG 3.58Å; L30-L36 HydrophobicContact CD2-CD2 4.32Å; L30-L36 HydrophobicContact CD2-CG 3.91Å; L30-L36 HydrophobicContact CG-CD1 4.42Å; L30-L36 HydrophobicContact CG-CD2 4.47Å; L30-L36 HydrophobicContact CG-CG 4.04Å; L30-L58 HydrophobicContact CB-CD2 3.7Å; L30-L58 HydrophobicContact CD1-CD2 4.25Å
31	S	48	Very low	51.1	Low	51 Å²	51	59 Å²	59	36%	0.357	31%	0.312	S	S	.	.			trans	-65.5	-19	-176.2	48.7	0	0	0	0	113.8	N29	N29-S31 PolarHBondContact O-N 2.96Å; N29-S31 VanDerWaalsContact O-N 3.08Å
32	N	47	Very low	51	Low	88 Å²	88	59.7 Å²	59.7	47%	0.471	32%	0.315	S	S	.	.	S	Bend	trans	-115.2	125.3	179.2	-123.5	-4.1	0	0	0	109.6	L30 N34 D35	L30-N32 PolarHBondContact O-N 2.84Å; N32-N34 PolarHBondContact O-N 3.06Å; N32-D35 WeakPolarHBondContact CB-OD2 3.42Å; N32-D35 PolarHBondContact O-N 3.22Å
33	S	47.9	Very low	51.1	Low	29 Å²	29	58.7 Å²	58.7	20%	0.203	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-29.1	172.5	48.2	0	0	0	0	111.8	D35 L36 I37 D60	S33-D35 PolarHBondContact O-N 3.42Å; S33-L36 WeakPolarHBondContact O-CB 3.32Å; S33-L36 PolarHBondContact O-N 2.66Å; S33-I37 WeakPolarHBondContact O-CB 3.41Å; S33-I37 WeakPolarHBondContact O-CD1 3.48Å; S33-I37 WeakPolarHBondContact O-CG1 3.44Å; S33-I37 PolarHBondContact O-N 3.36Å; S33-D60 WeakPolarHBondContact CB-OD2 3.48Å; S33-D60 PolarHBondContact OG-OD2 3.32Å
34	N	46	Very low	50.9	Low	103 Å²	103	64.9 Å²	64.9	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-61	-39.7	176.7	-73.4	-15.6	0	0	0	113.8	N32 L36 I37 H38	N32-N34 PolarHBondContact O-N 3.06Å; N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 3.14Å; N34-I37 PolarHBondContact O-N 3.43Å; N34-H38 PolarHBondContact O-N 2.97Å
35	D	50.2	Low	51.4	Low	83 Å²	83	62.5 Å²	62.5	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-36.4	179	-62.3	-34.7	0	0	0	110.6	N32 S33 L39	N32-D35 WeakPolarHBondContact CB-OD2 3.42Å; N32-D35 PolarHBondContact O-N 3.22Å; S33-D35 PolarHBondContact O-N 3.42Å; D35-L39 WeakPolarHBondContact O-CB 3.32Å; D35-L39 VanDerWaalsContact O-CD1 3.22Å; D35-L39 WeakPolarHBondContact O-CD1 3.4Å; D35-L39 PolarHBondContact O-N 3.2Å
36	L	51.2	Low	51.7	Low	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-70.6	-43.9	173.1	-105.7	175.7	0	0	0	113.4	L30 S33 N34 H38 L39 L40 L58 L63	L30-L36 HydrophobicContact CB-CD1 4.08Å; L30-L36 HydrophobicContact CB-CG 4.09Å; L30-L36 HydrophobicContact CD1-CD1 3.8Å; L30-L36 HydrophobicContact CD1-CD2 3.61Å; L30-L36 HydrophobicContact CD1-CG 3.58Å; L30-L36 HydrophobicContact CD2-CD2 4.32Å; L30-L36 HydrophobicContact CD2-CG 3.91Å; L30-L36 HydrophobicContact CG-CD1 4.42Å; L30-L36 HydrophobicContact CG-CD2 4.47Å; L30-L36 HydrophobicContact CG-CG 4.04Å; S33-L36 WeakPolarHBondContact O-CB 3.32Å; S33-L36 PolarHBondContact O-N 2.66Å; N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 3.14Å; L36-H38 PolarHBondContact O-N 3Å; L36-L39 CarbonylContact O-C 3.22Å; L36-L39 PolarHBondContact O-N 3.33Å; L36-L40 HydrophobicContact CB-CD1 4.43Å; L36-L40 HydrophobicContact CD2-CD1 3.3Å; L36-L40 HydrophobicContact CD2-CD2 4.32Å; L36-L40 HydrophobicContact CD2-CG 3.62Å; L36-L40 HydrophobicContact CG-CD1 4.32Å; L36-L40 WeakPolarHBondContact O-CB 3.46Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.38Å; L36-L40 PolarHBondContact O-N 3.34Å; L36-L58 HydrophobicContact CD1-CD1 4.27Å; L36-L58 HydrophobicContact CD1-CD2 3.12Å; L36-L58 HydrophobicContact CD1-CG 4.32Å; L36-L58 HydrophobicContact CG-CD2 4.38Å; L36-L63 HydrophobicContact CB-CD2 4.15Å; L36-L63 HydrophobicContact CD1-CD2 4.2Å
37	I	47.9	Very low	52.7	Low	53 Å²	53	72.1 Å²	72.1	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-41.3	178.7	-71.6	160.3	0	0	0	108.7	S33 N34 N41	S33-I37 WeakPolarHBondContact O-CB 3.41Å; S33-I37 WeakPolarHBondContact O-CD1 3.48Å; S33-I37 WeakPolarHBondContact O-CG1 3.44Å; S33-I37 PolarHBondContact O-N 3.36Å; N34-I37 PolarHBondContact O-N 3.43Å; I37-N41 WeakPolarHBondContact O-CB 2.99Å; I37-N41 PolarHBondContact O-N 2.89Å; I37-N41 PolarHBondContact O-ND2 2.66Å
38	H	50.9	Low	54	Low	148 Å²	148	64.3 Å²	64.3	69%	0.685	33%	0.328	S	S	*	.	H	α-helix	trans	-70	-39.2	176.7	-130.4	-57.3	0	0	0	113	N34 L36	N34-H38 PolarHBondContact O-N 2.97Å; L36-H38 PolarHBondContact O-N 3Å
39	L	50.9	Low	55.6	Low	15 Å²	15	65.8 Å²	65.8	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-39.1	174.8	-105.9	99.6	0	0	0	113.1	C10 L11 L14 F25 D35 L36 Q42	C10-L39 HydrophobicContact CB-CD2 4.32Å; L11-L39 HydrophobicContact CD2-CD2 3.46Å; L11-L39 VanDerWaalsContact CD2-CD2 3.46Å; L11-L39 HydrophobicContact CD2-CG 3.97Å; L11-L39 HydrophobicContact CG-CD2 4.02Å; L11-L39 HydrophobicContact CG-CG 4.44Å; L14-L39 HydrophobicContact CD1-CD2 4.23Å; F25-L39 HydrophobicContact CE2-CD2 4.22Å; D35-L39 WeakPolarHBondContact O-CB 3.32Å; D35-L39 VanDerWaalsContact O-CD1 3.22Å; D35-L39 WeakPolarHBondContact O-CD1 3.4Å; D35-L39 PolarHBondContact O-N 3.2Å; L36-L39 CarbonylContact O-C 3.22Å; L36-L39 PolarHBondContact O-N 3.33Å; L39-Q42 WeakPolarHBondContact O-CB 3.49Å
40	L	53.5	Low	57.6	Low	7 Å²	7	63.6 Å²	63.6	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-95.6	-19.7	-172	-64.6	175.7	0	0	0	113.9	L36 Q42 I43 W45 L63	L36-L40 HydrophobicContact CB-CD1 4.43Å; L36-L40 HydrophobicContact CD2-CD1 3.3Å; L36-L40 HydrophobicContact CD2-CD2 4.32Å; L36-L40 HydrophobicContact CD2-CG 3.62Å; L36-L40 HydrophobicContact CG-CD1 4.32Å; L36-L40 WeakPolarHBondContact O-CB 3.46Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.38Å; L36-L40 PolarHBondContact O-N 3.34Å; L40-Q42 PolarHBondContact O-N 3.5Å; L40-Q42 VanDerWaalsContact O-N 3.15Å; L40-I43 HydrophobicContact CD2-CD1 3.36Å; L40-I43 HydrophobicContact CD2-CG1 4.13Å; L40-I43 WeakPolarHBondContact O-CA 3.31Å; L40-I43 WeakPolarHBondContact O-CB 3.16Å; L40-I43 PolarHBondContact O-N 2.64Å; L40-W45 HydrophobicContact CB-CH2 4.22Å; L40-W45 HydrophobicContact CB-CZ2 3.48Å; L40-W45 VanDerWaalsContact CB-CZ2 3.48Å; L40-W45 HydrophobicContact CD1-CH2 3.69Å; L40-W45 HydrophobicContact CD1-CZ2 3.73Å; L40-W45 HydrophobicContact CG-CH2 4.4Å; L40-W45 HydrophobicContact CG-CZ2 4.14Å; L40-W45 PolarHBondContact O-NE1 3.36Å; L40-L63 HydrophobicContact CD1-CD1 3.68Å; L40-L63 HydrophobicContact CD1-CD2 4.09Å; L40-L63 HydrophobicContact CD1-CG 4.49Å
41	N	53.5	Low	59.3	Low	115 Å²	115	63.6 Å²	63.6	62%	0.615	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	165.1	-86.9	-15	0	0	0	111.7	I37 I43	I37-N41 WeakPolarHBondContact O-CB 2.99Å; I37-N41 PolarHBondContact O-N 2.89Å; I37-N41 PolarHBondContact O-ND2 2.66Å; N41-I43 VanDerWaalsContact C-N 3.29Å
42	Q	54.4	Low	61	Low	111 Å²	111	62.7 Å²	62.7	52%	0.519	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.3	171.1	-57.5	-173.6	-5.9	0	0	113.1	L39 L40	L39-Q42 WeakPolarHBondContact O-CB 3.49Å; L40-Q42 PolarHBondContact O-N 3.5Å; L40-Q42 VanDerWaalsContact O-N 3.15Å
43	I	57	Low	62.9	Low	19 Å²	19	58.6 Å²	58.6	10%	0.097	30%	0.297	C	S	.	.	S	Bend	trans	-87.6	125.3	177.5	-58	-168.4	0	0	0	109	F23 L40 N41 W45	F23-I43 HydrophobicContact CD1-CD1 4.14Å; F23-I43 HydrophobicContact CD2-CD1 3.98Å; F23-I43 HydrophobicContact CD2-CG2 3.91Å; F23-I43 HydrophobicContact CE1-CD1 4.23Å; F23-I43 HydrophobicContact CE2-CD1 4.16Å; F23-I43 HydrophobicContact CE2-CG2 3.4Å; F23-I43 HydrophobicContact CG-CD1 4.03Å; F23-I43 HydrophobicContact CZ-CD1 4.28Å; F23-I43 HydrophobicContact CZ-CG2 3.94Å; L40-I43 HydrophobicContact CD2-CD1 3.36Å; L40-I43 HydrophobicContact CD2-CG1 4.13Å; L40-I43 WeakPolarHBondContact O-CA 3.31Å; L40-I43 WeakPolarHBondContact O-CB 3.16Å; L40-I43 PolarHBondContact O-N 2.64Å; N41-I43 VanDerWaalsContact C-N 3.29Å; I43-W45 VanDerWaalsContact C-N 3.29Å; I43-W45 PolarHBondContact O-N 3.5Å
44	Q	60	Low	64.8	Low	157 Å²	157	58 Å²	58	73%	0.734	29%	0.293	S	S	*	.			trans	-70.2	86.6	168.5	-73.8	-177.2	-10.5	0	0	109.9	K46 N47	Q44-K46 PolarHBondContact O-N 3.1Å; Q44-N47 PolarHBondContact O-N 2.93Å
45	W	62.8	Low	66.8	Low	23 Å²	23	56 Å²	56	9%	0.087	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-47.2	-30.7	177.2	-66.6	99.4	0	0	0	114.7	L40 I43 N47 L48 L51 L63 L64 A67	L40-W45 HydrophobicContact CB-CH2 4.22Å; L40-W45 HydrophobicContact CB-CZ2 3.48Å; L40-W45 VanDerWaalsContact CB-CZ2 3.48Å; L40-W45 HydrophobicContact CD1-CH2 3.69Å; L40-W45 HydrophobicContact CD1-CZ2 3.73Å; L40-W45 HydrophobicContact CG-CH2 4.4Å; L40-W45 HydrophobicContact CG-CZ2 4.14Å; L40-W45 PolarHBondContact O-NE1 3.36Å; I43-W45 VanDerWaalsContact C-N 3.29Å; I43-W45 PolarHBondContact O-N 3.5Å; W45-N47 PolarHBondContact O-N 3.07Å; W45-L48 HydrophobicContact CE3-CD2 4.05Å; W45-L48 HydrophobicContact CZ3-CD2 4.02Å; W45-L48 PolarHBondContact O-N 3.29Å; W45-L48 VanDerWaalsContact O-N 3.12Å; W45-L51 HydrophobicContact CH2-CD2 4.46Å; W45-L51 HydrophobicContact CZ3-CD2 4.04Å; W45-L63 HydrophobicContact CH2-CD1 3.32Å; W45-L63 HydrophobicContact CZ2-CB 4.38Å; W45-L63 HydrophobicContact CZ2-CD1 3.72Å; W45-L63 HydrophobicContact CZ3-CD1 4.36Å; W45-L64 HydrophobicContact CH2-CD2 4.22Å; W45-L64 HydrophobicContact CZ3-CD2 4.01Å; W45-A67 HydrophobicContact CE3-CB 3.62Å; W45-A67 HydrophobicContact CZ3-CB 3.94Å
46	K	65.4	Low	68.3	Low	159 Å²	159	52.4 Å²	52.4	69%	0.691	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.6	-13.7	-176	-68.2	-171.5	178.5	-177.1	0	115.2	Q44 K69	Q44-K46 PolarHBondContact O-N 3.1Å; K46-K69 WeakPolarHBondContact O-CD 2.95Å; K46-K69 WeakPolarHBondContact O-CE 2.92Å; K46-K69 PolarHBondContact O-NZ 3.38Å
47	N	69.3	Low	69.9	Low	85 Å²	85	56.7 Å²	56.7	46%	0.455	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-123.3	3.2	179.9	-69.7	-19.9	0	0	0	113.7	Q44 W45 T49 K69	Q44-N47 PolarHBondContact O-N 2.93Å; W45-N47 PolarHBondContact O-N 3.07Å; N47-T49 PolarHBondContact O-N 3Å; N47-K69 PolarHBondContact OD1-NZ 3.3Å
48	L	74.4	Confident	71.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.274	C	S	.	.			trans	-79.8	117	-175.2	-175.6	54.1	0	0	0	110.4	Q21 F23 W45 S50 L51 K69 L70	Q21-L48 WeakPolarHBondContact O-CD1 3.47Å; F23-L48 HydrophobicContact CB-CD1 4.48Å; F23-L48 HydrophobicContact CD2-CD1 3.32Å; F23-L48 HydrophobicContact CD2-CD2 4.03Å; F23-L48 HydrophobicContact CD2-CG 4.24Å; F23-L48 HydrophobicContact CE2-CD1 3.9Å; F23-L48 HydrophobicContact CG-CD1 4.32Å; W45-L48 HydrophobicContact CE3-CD2 4.05Å; W45-L48 HydrophobicContact CZ3-CD2 4.02Å; W45-L48 PolarHBondContact O-N 3.29Å; W45-L48 VanDerWaalsContact O-N 3.12Å; L48-S50 WeakPolarHBondContact CD1-O 3.37Å; L48-L51 HydrophobicContact CD2-CB 4.1Å; L48-L51 HydrophobicContact CD2-CD1 4.21Å; L48-L51 HydrophobicContact CD2-CD2 4.11Å; L48-L51 HydrophobicContact CD2-CG 4.37Å; L48-K69 CarbonylContact O-C 3.48Å; L48-K69 VanDerWaalsContact O-C 3.32Å; L48-L70 HydrophobicContact CD2-CD1 4.36Å; L48-L70 HydrophobicContact CG-CD1 3.92Å; L48-L70 WeakPolarHBondContact O-CA 3.33Å; L48-L70 PolarHBondContact O-N 2.93Å
49	T	83	Confident	73.4	Confident	38 Å²	38	54.7 Å²	54.7	23%	0.233	27%	0.269	C	S	.	.			trans	-105.3	-26.3	179.3	60.7	0	0	0	0	112.4	Q21 N47 E71 C72	Q21-T49 PolarHBondContact O-N 3.48Å; Q21-T49 PolarHBondContact O-OG1 3.17Å; Q21-T49 VanDerWaalsContact O-OG1 3.08Å; N47-T49 PolarHBondContact O-N 3Å; T49-E71 WeakPolarHBondContact O-CA 3.43Å; T49-E71 WeakPolarHBondContact O-CB 3.11Å; T49-E71 PolarHBondContact O-N 3.47Å; T49-C72 PolarHBondContact O-N 3.09Å
50	S	85.3	Confident	74.8	Confident	46 Å²	46	56.3 Å²	56.3	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.4	177.6	-178.7	0	0	0	0	112.5	Q21 S22 F23 L48 C72	Q21-S50 PolarHBondContact O-N 3.46Å; S22-S50 VanDerWaalsContact CA-O 3.32Å; S22-S50 WeakPolarHBondContact CA-O 3.48Å; F23-S50 PolarHBondContact N-O 3.21Å; L48-S50 WeakPolarHBondContact CD1-O 3.37Å; S50-C72 CarbonylContact C-O 3.47Å; S50-C72 WeakPolarHBondContact CA-O 3.44Å
51	L	86.3	Confident	76.3	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.4	-178.8	-179.6	57.6	0	0	0	110.5	F23 W45 L48 L53 L64 L70 C72 L73 D74	F23-L51 HydrophobicContact CB-CD1 4.15Å; W45-L51 HydrophobicContact CH2-CD2 4.46Å; W45-L51 HydrophobicContact CZ3-CD2 4.04Å; L48-L51 HydrophobicContact CD2-CB 4.1Å; L48-L51 HydrophobicContact CD2-CD1 4.21Å; L48-L51 HydrophobicContact CD2-CD2 4.11Å; L48-L51 HydrophobicContact CD2-CG 4.37Å; L51-L53 HydrophobicContact CD1-CD1 4.49Å; L51-L53 HydrophobicContact CD1-CD2 3.91Å; L51-L53 HydrophobicContact CD1-CG 3.94Å; L51-L53 HydrophobicContact CD2-CD1 3.92Å; L51-L53 HydrophobicContact CD2-CG 4.19Å; L51-L53 HydrophobicContact CG-CD1 4.19Å; L51-L53 HydrophobicContact CG-CD2 4.41Å; L51-L53 HydrophobicContact CG-CG 3.88Å; L51-L64 HydrophobicContact CD2-CD2 3.75Å; L51-L70 HydrophobicContact CB-CD1 3.61Å; L51-L70 HydrophobicContact CB-CD2 4.32Å; L51-C72 PolarHBondContact N-O 3.32Å; L51-L73 HydrophobicContact CB-CD1 4.19Å; L51-L73 HydrophobicContact CD2-CD1 4.16Å; L51-L73 HydrophobicContact CG-CD1 4.19Å; L51-L73 WeakPolarHBondContact O-CA 3.06Å; L51-D74 PolarHBondContact O-N 3.05Å
52	N	85.2	Confident	77.7	Confident	32 Å²	32	53.6 Å²	53.6	17%	0.171	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.6	170.5	-171	-17.4	0	0	0	110	F23 F25 S54 D74	F23-N52 PolarHBondContact O-N 3.12Å; F23-N52 VanDerWaalsContact O-N 3.1Å; F25-N52 PolarHBondContact N-O 3.45Å; N52-S54 VanDerWaalsContact OD1-CB 3.27Å; N52-S54 WeakPolarHBondContact OD1-CB 3.38Å; N52-S54 PolarHBondContact OD1-N 3.28Å; N52-S54 PolarHBondContact OD1-OG 2.72Å; N52-D74 HydrophobicContact CB-CB 4.3Å; N52-D74 PolarHBondContact ND2-OD2 2.91Å; N52-D74 PolarHBondContact OD1-OD2 2.95Å
53	L	85.9	Confident	78.6	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.244	C	C	.	.			trans	-122.2	25.9	174.6	-59.8	176.1	0	0	0	111.2	F25 L51 N56 L58 D74 L75 N78	F25-L53 HydrophobicContact CB-CD2 3.9Å; L51-L53 HydrophobicContact CD1-CD1 4.49Å; L51-L53 HydrophobicContact CD1-CD2 3.91Å; L51-L53 HydrophobicContact CD1-CG 3.94Å; L51-L53 HydrophobicContact CD2-CD1 3.92Å; L51-L53 HydrophobicContact CD2-CG 4.19Å; L51-L53 HydrophobicContact CG-CD1 4.19Å; L51-L53 HydrophobicContact CG-CD2 4.41Å; L51-L53 HydrophobicContact CG-CG 3.88Å; L53-N56 PolarHBondContact O-ND2 3.04Å; L53-L58 HydrophobicContact CB-CD1 3.84Å; L53-L58 HydrophobicContact CD1-CD1 3.94Å; L53-L58 HydrophobicContact CG-CD1 4.47Å; L53-D74 CarbonylContact C-O 3.41Å; L53-D74 PolarHBondContact N-O 3.36Å; L53-L75 HydrophobicContact CB-CD2 4.09Å; L53-L75 HydrophobicContact CD1-CD2 4.03Å; L53-N78 PolarHBondContact O-ND2 3.43Å
54	S	88	Confident	79.9	Confident	16 Å²	16	48 Å²	48	11%	0.112	24%	0.239	C	C	.	.			trans	-66.1	156.4	179	62.6	0	0	0	0	112.9	N52 N56 D74 S76	N52-S54 VanDerWaalsContact OD1-CB 3.27Å; N52-S54 WeakPolarHBondContact OD1-CB 3.38Å; N52-S54 PolarHBondContact OD1-N 3.28Å; N52-S54 PolarHBondContact OD1-OG 2.72Å; S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.68Å; S54-N56 PolarHBondContact O-ND2 3.41Å; S54-D74 PolarHBondContact N-O 3.28Å; S54-S76 CarbonylContact C-O 3.58Å; S54-S76 WeakPolarHBondContact CA-O 3.44Å; S54-S76 WeakPolarHBondContact CB-O 3.28Å; S54-S76 WeakPolarHBondContact CB-OG 3.27Å
55	S	87.8	Confident	80.8	Confident	60 Å²	60	43.9 Å²	43.9	42%	0.42	22%	0.223	S	C	.	.	S	Bend	trans	57.1	40.7	175.2	-55.9	0	0	0	0	113.9	S76 N77	S55-S76 PolarHBondContact N-O 3.36Å; S55-N77 WeakPolarHBondContact CA-O 3.42Å; S55-N77 PolarHBondContact N-O 3.09Å; S55-N77 PolarHBondContact OG-ND2 2.93Å
56	N	82.3	Confident	81.6	Confident	9 Å²	9	50.6 Å²	50.6	5%	0.048	25%	0.249	C	C	.	.	S	Bend	trans	-111.8	-165.4	172.9	-69	-63.1	0	0	0	109.3	F25 G28 L53 S54 L58 N77 N78	F25-N56 WeakPolarHBondContact CD1-OD1 3.37Å; F25-N56 WeakPolarHBondContact CE1-OD1 3.3Å; F25-N56 PolarHBondContact O-ND2 2.88Å; G28-N56 PolarHBondContact N-OD1 2.7Å; G28-N56 VanDerWaalsContact N-OD1 3.11Å; G28-N56 PolarHBondContact O-OD1 3.25Å; L53-N56 PolarHBondContact O-ND2 3.04Å; S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.68Å; S54-N56 PolarHBondContact O-ND2 3.41Å; N56-L58 HydrophobicContact CB-CD2 4.35Å; N56-L58 HydrophobicContact CB-CG 3.98Å; N56-N77 PolarHBondContact N-O 2.91Å; N56-N78 VanDerWaalsContact CA-OD1 3.31Å; N56-N78 WeakPolarHBondContact CA-OD1 3.34Å; N56-N78 VanDerWaalsContact CB-OD1 3.27Å; N56-N78 WeakPolarHBondContact CB-OD1 3.24Å; N56-N78 PolarHBondContact N-OD1 3.22Å; N56-N78 PolarHBondContact O-OD1 2.83Å
57	K	83.9	Confident	82.3	Confident	91 Å²	91	43 Å²	43	40%	0.396	22%	0.216	S	C	.	.			trans	-112.7	33.4	176.4	-54.8	-158.6	-165.5	152.4	0	113.1	N29 R59 N78 F79	N29-K57 WeakPolarHBondContact OD1-CD 3.29Å; N29-K57 WeakPolarHBondContact OD1-CE 3.4Å; N29-K57 PolarHBondContact OD1-NZ 3.15Å; K57-R59 PolarHBondContact O-N 3.46Å; K57-N78 PolarHBondContact N-OD1 2.93Å; K57-F79 HydrophobicContact CB-CD2 3.91Å; K57-F79 HydrophobicContact CB-CE2 3.82Å; K57-F79 HydrophobicContact CD-CE2 4.14Å; K57-F79 HydrophobicContact CG-CD2 4.45Å; K57-F79 HydrophobicContact CG-CE2 3.86Å
58	L	84.7	Confident	82.9	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	22%	0.215	C	C	.	.			trans	-67.9	131	-171.6	-54.8	-175.3	0	0	0	111.5	L30 L36 L53 N56 L75 N78 F79 L80	L30-L58 HydrophobicContact CB-CD2 3.7Å; L30-L58 HydrophobicContact CD1-CD2 4.25Å; L36-L58 HydrophobicContact CD1-CD1 4.27Å; L36-L58 HydrophobicContact CD1-CD2 3.12Å; L36-L58 HydrophobicContact CD1-CG 4.32Å; L36-L58 HydrophobicContact CG-CD2 4.38Å; L53-L58 HydrophobicContact CB-CD1 3.84Å; L53-L58 HydrophobicContact CD1-CD1 3.94Å; L53-L58 HydrophobicContact CG-CD1 4.47Å; N56-L58 HydrophobicContact CB-CD2 4.35Å; N56-L58 HydrophobicContact CB-CG 3.98Å; L58-L75 HydrophobicContact CD1-CD2 4.29Å; L58-N78 HydrophobicContact CB-CB 4.1Å; L58-N78 WeakPolarHBondContact CB-OD1 3.47Å; L58-N78 VanDerWaalsContact CG-OD1 3.22Å; L58-N78 WeakPolarHBondContact CG-OD1 3.22Å; L58-N78 PolarHBondContact N-OD1 2.81Å; L58-F79 CarbonylContact O-C 3.01Å; L58-F79 VanDerWaalsContact O-CA 3.27Å; L58-F79 WeakPolarHBondContact O-CA 3.5Å; L58-F79 PolarHBondContact O-N 2.98Å; L58-L80 HydrophobicContact CB-CD2 3.99Å; L58-L80 WeakPolarHBondContact O-CD2 3.37Å; L58-L80 PolarHBondContact O-N 3.23Å
59	R	86.9	Confident	83.5	Confident	156 Å²	156	47.3 Å²	47.3	59%	0.589	23%	0.234	S	C	*	.	S	Bend	trans	-112.2	-17.3	169.4	-68.9	-172.9	174.5	106.9	-1.8	112.9	K57 F79	K57-R59 PolarHBondContact O-N 3.46Å; R59-F79 HydrophobicContact CG-CB 3.85Å
60	D	81.2	Confident	83.7	Confident	49 Å²	49	45.5 Å²	45.5	26%	0.262	22%	0.223	S	C	.	.			trans	-141.2	131.1	-171.8	173.1	18.1	0	0	0	109.2	S33 T62	S33-D60 WeakPolarHBondContact CB-OD2 3.48Å; S33-D60 PolarHBondContact OG-OD2 3.32Å; D60-T62 VanDerWaalsContact OD1-CB 3.27Å; D60-T62 WeakPolarHBondContact OD1-CB 3.41Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.49Å; D60-T62 PolarHBondContact OD1-N 3.48Å; D60-T62 PolarHBondContact OD1-OG1 3.23Å; D60-T62 PolarHBondContact OD2-OG1 3.12Å
61	I	85.2	Confident	84	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.015	23%	0.226	C	C	.	.			trans	-126.5	20.2	-179.1	57.6	168.3	0	0	0	111.5	L63 L64 L75 L80 I83 I86	I61-L63 PolarHBondContact O-N 3.45Å; I61-L63 VanDerWaalsContact O-N 3.09Å; I61-L64 HydrophobicContact CB-CD1 3.91Å; I61-L64 HydrophobicContact CB-CG 4.23Å; I61-L64 HydrophobicContact CD1-CD1 4.16Å; I61-L64 HydrophobicContact CG2-CD1 4.42Å; I61-L64 WeakPolarHBondContact O-CB 3.08Å; I61-L64 PolarHBondContact O-N 3.46Å; I61-L75 HydrophobicContact CD1-CD1 3.77Å; I61-L75 HydrophobicContact CG2-CD1 4.23Å; I61-L75 HydrophobicContact CG2-CD2 3.94Å; I61-L80 HydrophobicContact CD1-CD1 4.35Å; I61-L80 HydrophobicContact CG2-CD1 3.95Å; I61-L80 HydrophobicContact CG2-CD2 3.66Å; I61-L80 HydrophobicContact CG2-CG 4.48Å; I61-I83 HydrophobicContact CD1-CB 4.24Å; I61-I83 HydrophobicContact CD1-CG2 4.1Å; I61-I86 HydrophobicContact CD1-CD1 3.9Å; I61-I86 HydrophobicContact CD1-CG1 3.58Å
62	T	81.8	Confident	84.4	Confident	62 Å²	62	49.4 Å²	49.4	38%	0.38	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.5	-27.9	177.3	48.2	0	0	0	0	113.5	D60 L64 N65 S85	D60-T62 VanDerWaalsContact OD1-CB 3.27Å; D60-T62 WeakPolarHBondContact OD1-CB 3.41Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.49Å; D60-T62 PolarHBondContact OD1-N 3.48Å; D60-T62 PolarHBondContact OD1-OG1 3.23Å; D60-T62 PolarHBondContact OD2-OG1 3.12Å; T62-L64 PolarHBondContact O-N 2.94Å; T62-N65 WeakPolarHBondContact O-CB 3.41Å; T62-N65 PolarHBondContact O-N 3.33Å; T62-N65 PolarHBondContact O-ND2 3.07Å; T62-S85 WeakPolarHBondContact CA-OG 3.35Å
63	L	74.6	Confident	84.8	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.058	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-55.5	-26.6	170.9	60.1	93.1	0	0	0	114.3	L36 L40 W45 I61 N65 Y66	L36-L63 HydrophobicContact CB-CD2 4.15Å; L36-L63 HydrophobicContact CD1-CD2 4.2Å; L40-L63 HydrophobicContact CD1-CD1 3.68Å; L40-L63 HydrophobicContact CD1-CD2 4.09Å; L40-L63 HydrophobicContact CD1-CG 4.49Å; W45-L63 HydrophobicContact CH2-CD1 3.32Å; W45-L63 HydrophobicContact CZ2-CB 4.38Å; W45-L63 HydrophobicContact CZ2-CD1 3.72Å; W45-L63 HydrophobicContact CZ3-CD1 4.36Å; I61-L63 PolarHBondContact O-N 3.45Å; I61-L63 VanDerWaalsContact O-N 3.09Å; L63-N65 PolarHBondContact O-N 3.37Å; L63-Y66 WeakPolarHBondContact O-CD2 3.3Å; L63-Y66 PolarHBondContact O-N 3.16Å
64	L	83	Confident	85.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-70.3	-9.3	177	-63.4	-179.4	0	0	0	112.9	W45 L51 I61 T62 Y66 A67 L70 L73 L75 C89	W45-L64 HydrophobicContact CH2-CD2 4.22Å; W45-L64 HydrophobicContact CZ3-CD2 4.01Å; L51-L64 HydrophobicContact CD2-CD2 3.75Å; I61-L64 HydrophobicContact CB-CD1 3.91Å; I61-L64 HydrophobicContact CB-CG 4.23Å; I61-L64 HydrophobicContact CD1-CD1 4.16Å; I61-L64 HydrophobicContact CG2-CD1 4.42Å; I61-L64 WeakPolarHBondContact O-CB 3.08Å; I61-L64 PolarHBondContact O-N 3.46Å; T62-L64 PolarHBondContact O-N 2.94Å; L64-Y66 PolarHBondContact O-N 3.08Å; L64-A67 HydrophobicContact CD2-CB 4.42Å; L64-A67 WeakPolarHBondContact O-CB 3.28Å; L64-A67 PolarHBondContact O-N 2.9Å; L64-L70 HydrophobicContact CD2-CD2 4.48Å; L64-L73 HydrophobicContact CD1-CD1 4.34Å; L64-L73 HydrophobicContact CD1-CD2 3.55Å; L64-L75 HydrophobicContact CD1-CD1 4.15Å; L64-C89 PolarHBondContact O-SG 2.95Å
65	N	80.2	Confident	85.4	Confident	72 Å²	72	49 Å²	49	39%	0.385	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56.8	-21.5	173.5	-75.5	-23.9	0	0	0	113.6	T62 L63 S85 S88	T62-N65 WeakPolarHBondContact O-CB 3.41Å; T62-N65 PolarHBondContact O-N 3.33Å; T62-N65 PolarHBondContact O-ND2 3.07Å; L63-N65 PolarHBondContact O-N 3.37Å; N65-S85 WeakPolarHBondContact OD1-CB 3.38Å; N65-S88 PolarHBondContact OD1-OG 3.24Å
66	Y	79.1	Confident	85.7	Confident	164 Å²	164	47 Å²	47	64%	0.643	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-96.7	-3.2	179.2	-53.4	-73.8	0	0	0	113.9	L63 L64 D68	L63-Y66 WeakPolarHBondContact O-CD2 3.3Å; L63-Y66 PolarHBondContact O-N 3.16Å; L64-Y66 PolarHBondContact O-N 3.08Å; Y66-D68 PolarHBondContact O-N 2.74Å
67	A	80.5	Confident	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.			trans	-96.9	56.4	-172.7	0	0	0	0	0	112.3	W45 L64 K69 L70	W45-A67 HydrophobicContact CE3-CB 3.62Å; W45-A67 HydrophobicContact CZ3-CB 3.94Å; L64-A67 HydrophobicContact CD2-CB 4.42Å; L64-A67 WeakPolarHBondContact O-CB 3.28Å; L64-A67 PolarHBondContact O-N 2.9Å; A67-K69 VanDerWaalsContact C-N 3.33Å; A67-K69 PolarHBondContact O-N 3.41Å; A67-L70 HydrophobicContact CB-CB 4.15Å; A67-L70 HydrophobicContact CB-CD2 4.4Å; A67-L70 VanDerWaalsContact O-CB 3.28Å; A67-L70 WeakPolarHBondContact O-CB 3.34Å; A67-L70 PolarHBondContact O-N 3.39Å
68	D	82.5	Confident	86.6	Confident	81 Å²	81	46.3 Å²	46.3	43%	0.433	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.3	-174.1	64.4	-19.6	0	0	0	114.5	Y66 L70 S91	Y66-D68 PolarHBondContact O-N 2.74Å; D68-L70 VanDerWaalsContact C-N 3.35Å; D68-S91 VanDerWaalsContact O-CB 3.27Å; D68-S91 WeakPolarHBondContact O-CB 3.18Å; D68-S91 PolarHBondContact O-N 2.97Å; D68-S91 PolarHBondContact O-OG 3.18Å
69	K	85.3	Confident	86.9	Confident	94 Å²	94	50.5 Å²	50.5	41%	0.409	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4	177.1	-60.1	-157.8	-164.3	154.9	0	115	K46 N47 L48 A67 E71	K46-K69 WeakPolarHBondContact O-CD 2.95Å; K46-K69 WeakPolarHBondContact O-CE 2.92Å; K46-K69 PolarHBondContact O-NZ 3.38Å; N47-K69 PolarHBondContact OD1-NZ 3.3Å; L48-K69 CarbonylContact O-C 3.48Å; L48-K69 VanDerWaalsContact O-C 3.32Å; A67-K69 VanDerWaalsContact C-N 3.33Å; A67-K69 PolarHBondContact O-N 3.41Å; K69-E71 PolarHBondContact O-N 2.97Å
70	L	88.1	Confident	87.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.			trans	-70.2	124.5	-178.1	-167.3	70.6	0	0	0	110.5	L48 L51 L64 A67 D68 L73 C89 S91 L92	L48-L70 HydrophobicContact CD2-CD1 4.36Å; L48-L70 HydrophobicContact CG-CD1 3.92Å; L48-L70 WeakPolarHBondContact O-CA 3.33Å; L48-L70 PolarHBondContact O-N 2.93Å; L51-L70 HydrophobicContact CB-CD1 3.61Å; L51-L70 HydrophobicContact CB-CD2 4.32Å; L64-L70 HydrophobicContact CD2-CD2 4.48Å; A67-L70 HydrophobicContact CB-CB 4.15Å; A67-L70 HydrophobicContact CB-CD2 4.4Å; A67-L70 VanDerWaalsContact O-CB 3.28Å; A67-L70 WeakPolarHBondContact O-CB 3.34Å; A67-L70 PolarHBondContact O-N 3.39Å; D68-L70 VanDerWaalsContact C-N 3.35Å; L70-L73 HydrophobicContact CD2-CB 3.79Å; L70-L73 HydrophobicContact CD2-CD1 3.99Å; L70-L73 HydrophobicContact CD2-CD2 3.95Å; L70-L73 HydrophobicContact CD2-CG 4.12Å; L70-L73 HydrophobicContact CG-CB 4.47Å; L70-C89 HydrophobicContact CB-CB 4.5Å; L70-S91 CarbonylContact O-C 3.39Å; L70-L92 HydrophobicContact CB-CD1 4.45Å; L70-L92 HydrophobicContact CD2-CD1 4.17Å; L70-L92 HydrophobicContact CG-CD1 4.15Å; L70-L92 VanDerWaalsContact O-CA 3.27Å; L70-L92 WeakPolarHBondContact O-CA 2.97Å; L70-L92 PolarHBondContact O-N 3.25Å; L70-L92 VanDerWaalsContact O-N 3.07Å
71	E	92.1	Very high	87.7	Confident	82 Å²	82	45.4 Å²	45.4	38%	0.383	23%	0.227	S	C	.	.			trans	-104.3	-38.8	-179.2	-64.2	178.6	-176.4	0	0	111.8	T49 K69 S91 I93 S94	T49-E71 WeakPolarHBondContact O-CA 3.43Å; T49-E71 WeakPolarHBondContact O-CB 3.11Å; T49-E71 PolarHBondContact O-N 3.47Å; K69-E71 PolarHBondContact O-N 2.97Å; E71-S91 WeakPolarHBondContact CA-O 3.21Å; E71-I93 HydrophobicContact CB-CD1 4.16Å; E71-I93 HydrophobicContact CB-CG1 4.34Å; E71-I93 HydrophobicContact CG-CD1 4.21Å; E71-I93 WeakPolarHBondContact O-CA 3.41Å; E71-I93 PolarHBondContact O-N 3.32Å; E71-S94 PolarHBondContact O-N 2.62Å
72	C	93.2	Very high	87.8	Confident	50 Å²	50	49.5 Å²	49.5	34%	0.338	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.4	-178.6	-65.8	0	0	0	0	110.4	T49 S50 L51 S94	T49-C72 PolarHBondContact O-N 3.09Å; S50-C72 CarbonylContact C-O 3.47Å; S50-C72 WeakPolarHBondContact CA-O 3.44Å; L51-C72 PolarHBondContact N-O 3.32Å; C72-S94 WeakPolarHBondContact CA-O 3.44Å
73	L	93.7	Very high	88.3	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124	-179.9	177.1	56.8	0	0	0	111	L51 L64 L70 L75 L92 S94 L95 D96	L51-L73 HydrophobicContact CB-CD1 4.19Å; L51-L73 HydrophobicContact CD2-CD1 4.16Å; L51-L73 HydrophobicContact CG-CD1 4.19Å; L51-L73 WeakPolarHBondContact O-CA 3.06Å; L64-L73 HydrophobicContact CD1-CD1 4.34Å; L64-L73 HydrophobicContact CD1-CD2 3.55Å; L70-L73 HydrophobicContact CD2-CB 3.79Å; L70-L73 HydrophobicContact CD2-CD1 3.99Å; L70-L73 HydrophobicContact CD2-CD2 3.95Å; L70-L73 HydrophobicContact CD2-CG 4.12Å; L70-L73 HydrophobicContact CG-CB 4.47Å; L73-L75 HydrophobicContact CD1-CD1 4.33Å; L73-L75 HydrophobicContact CD1-CD2 4.02Å; L73-L75 HydrophobicContact CD1-CG 3.78Å; L73-L75 HydrophobicContact CD2-CD1 3.77Å; L73-L75 HydrophobicContact CD2-CG 4.12Å; L73-L75 HydrophobicContact CG-CD1 4.06Å; L73-L75 HydrophobicContact CG-CG 3.85Å; L73-L92 HydrophobicContact CB-CD1 3.72Å; L73-L92 HydrophobicContact CD2-CD1 4.46Å; L73-S94 PolarHBondContact N-O 3.38Å; L73-L95 HydrophobicContact CB-CD1 4Å; L73-L95 HydrophobicContact CD2-CD1 3.83Å; L73-L95 HydrophobicContact CG-CD1 3.91Å; L73-L95 WeakPolarHBondContact O-CA 3.39Å; L73-D96 PolarHBondContact O-N 3.43Å
74	D	93	Very high	89	Confident	37 Å²	37	49.4 Å²	49.4	20%	0.198	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113	171.1	-174.6	-2.6	0	0	0	109.7	L51 N52 L53 S54 S76 D96	L51-D74 PolarHBondContact O-N 3.05Å; N52-D74 HydrophobicContact CB-CB 4.3Å; N52-D74 PolarHBondContact ND2-OD2 2.91Å; N52-D74 PolarHBondContact OD1-OD2 2.95Å; L53-D74 CarbonylContact C-O 3.41Å; L53-D74 PolarHBondContact N-O 3.36Å; S54-D74 PolarHBondContact N-O 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.47Å; D74-S76 PolarHBondContact OD1-N 3.42Å; D74-S76 PolarHBondContact OD1-OG 3.14Å; D74-D96 HydrophobicContact CB-CB 4.47Å
75	L	93.9	Very high	89.2	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.			trans	-116.6	16.2	176.2	-68.2	171.8	0	0	0	110.9	L53 L58 I61 L64 L73 N78 L80 I86 D96 I97 N100	L53-L75 HydrophobicContact CB-CD2 4.09Å; L53-L75 HydrophobicContact CD1-CD2 4.03Å; L58-L75 HydrophobicContact CD1-CD2 4.29Å; I61-L75 HydrophobicContact CD1-CD1 3.77Å; I61-L75 HydrophobicContact CG2-CD1 4.23Å; I61-L75 HydrophobicContact CG2-CD2 3.94Å; L64-L75 HydrophobicContact CD1-CD1 4.15Å; L73-L75 HydrophobicContact CD1-CD1 4.33Å; L73-L75 HydrophobicContact CD1-CD2 4.02Å; L73-L75 HydrophobicContact CD1-CG 3.78Å; L73-L75 HydrophobicContact CD2-CD1 3.77Å; L73-L75 HydrophobicContact CD2-CG 4.12Å; L73-L75 HydrophobicContact CG-CD1 4.06Å; L73-L75 HydrophobicContact CG-CG 3.85Å; L75-N78 PolarHBondContact O-ND2 3.5Å; L75-L80 HydrophobicContact CB-CD1 3.95Å; L75-L80 HydrophobicContact CD1-CD1 3.96Å; L75-L80 HydrophobicContact CD2-CD1 4.42Å; L75-L80 HydrophobicContact CG-CD1 4.35Å; L75-I86 HydrophobicContact CD1-CD1 3.92Å; L75-I86 HydrophobicContact CD1-CG1 4.48Å; L75-D96 WeakPolarHBondContact CA-O 3.5Å; L75-D96 PolarHBondContact N-O 3.12Å; L75-I97 HydrophobicContact CB-CG2 4.09Å; L75-I97 HydrophobicContact CD1-CG2 4.07Å; L75-N100 PolarHBondContact O-ND2 3.07Å
76	S	94.9	Very high	89.7	Confident	18 Å²	18	46.5 Å²	46.5	13%	0.126	24%	0.235	C	C	.	.			trans	-63.3	152.4	-174.3	63	0	0	0	0	112.4	S54 S55 D74 N78 D96 S98	S54-S76 CarbonylContact C-O 3.58Å; S54-S76 WeakPolarHBondContact CA-O 3.44Å; S54-S76 WeakPolarHBondContact CB-O 3.28Å; S54-S76 WeakPolarHBondContact CB-OG 3.27Å; S55-S76 PolarHBondContact N-O 3.36Å; D74-S76 WeakPolarHBondContact OD1-CB 3.47Å; D74-S76 PolarHBondContact OD1-N 3.42Å; D74-S76 PolarHBondContact OD1-OG 3.14Å; S76-N78 PolarHBondContact O-ND2 3.33Å; S76-D96 WeakPolarHBondContact CB-OD1 3.41Å; S76-S98 CarbonylContact C-O 3.6Å; S76-S98 WeakPolarHBondContact CA-O 3.39Å; S76-S98 VanDerWaalsContact CB-OG 3.31Å; S76-S98 WeakPolarHBondContact CB-OG 3.35Å
77	N	93.9	Very high	90.2	Very high	77 Å²	77	40.4 Å²	40.4	41%	0.412	21%	0.212	S	C	.	.	S	Bend	trans	58.3	56.2	176.1	-165.5	35.2	0	0	0	112.7	S55 N56 S98 K99	S55-N77 WeakPolarHBondContact CA-O 3.42Å; S55-N77 PolarHBondContact N-O 3.09Å; S55-N77 PolarHBondContact OG-ND2 2.93Å; N56-N77 PolarHBondContact N-O 2.91Å; N77-S98 PolarHBondContact N-O 3.37Å; N77-K99 VanDerWaalsContact CA-O 3.24Å; N77-K99 WeakPolarHBondContact CA-O 3.27Å; N77-K99 HydrophobicContact CB-CB 4.37Å; N77-K99 PolarHBondContact N-O 3.13Å
78	N	90.1	Very high	90.6	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.043	23%	0.226	C	C	.	.	S	Bend	trans	-129.9	-172	175.6	-82.4	-70	0	0	0	109.7	L53 N56 K57 L58 L75 S76 L80 K99 N100	L53-N78 PolarHBondContact O-ND2 3.43Å; N56-N78 VanDerWaalsContact CA-OD1 3.31Å; N56-N78 WeakPolarHBondContact CA-OD1 3.34Å; N56-N78 VanDerWaalsContact CB-OD1 3.27Å; N56-N78 WeakPolarHBondContact CB-OD1 3.24Å; N56-N78 PolarHBondContact N-OD1 3.22Å; N56-N78 PolarHBondContact O-OD1 2.83Å; K57-N78 PolarHBondContact N-OD1 2.93Å; L58-N78 HydrophobicContact CB-CB 4.1Å; L58-N78 WeakPolarHBondContact CB-OD1 3.47Å; L58-N78 VanDerWaalsContact CG-OD1 3.22Å; L58-N78 WeakPolarHBondContact CG-OD1 3.22Å; L58-N78 PolarHBondContact N-OD1 2.81Å; L75-N78 PolarHBondContact O-ND2 3.5Å; S76-N78 PolarHBondContact O-ND2 3.33Å; N78-L80 HydrophobicContact CB-CD1 4.49Å; N78-L80 HydrophobicContact CB-CG 4.11Å; N78-K99 PolarHBondContact N-O 3.33Å; N78-N100 VanDerWaalsContact CA-OD1 3.3Å; N78-N100 WeakPolarHBondContact CA-OD1 3.08Å; N78-N100 WeakPolarHBondContact CB-OD1 3.37Å; N78-N100 PolarHBondContact N-OD1 3.33Å; N78-N100 PolarHBondContact O-OD1 3.27Å; N78-N100 VanDerWaalsContact O-OD1 3.11Å
79	F	91	Very high	91	Very high	92 Å²	92	38.5 Å²	38.5	40%	0.404	21%	0.206	S	C	.	.			trans	-109.2	31.5	177.5	-60.9	-72.7	0	0	0	112.4	K57 L58 R59	K57-F79 HydrophobicContact CB-CD2 3.91Å; K57-F79 HydrophobicContact CB-CE2 3.82Å; K57-F79 HydrophobicContact CD-CE2 4.14Å; K57-F79 HydrophobicContact CG-CD2 4.45Å; K57-F79 HydrophobicContact CG-CE2 3.86Å; L58-F79 CarbonylContact O-C 3.01Å; L58-F79 VanDerWaalsContact O-CA 3.27Å; L58-F79 WeakPolarHBondContact O-CA 3.5Å; L58-F79 PolarHBondContact O-N 2.98Å; R59-F79 HydrophobicContact CG-CB 3.85Å
80	L	92.6	Very high	91.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.			trans	-72.2	132.3	-177.5	-56.4	174.4	0	0	0	110.4	L58 I61 L75 N78 I83 N100 N101 I102	L58-L80 HydrophobicContact CB-CD2 3.99Å; L58-L80 WeakPolarHBondContact O-CD2 3.37Å; L58-L80 PolarHBondContact O-N 3.23Å; I61-L80 HydrophobicContact CD1-CD1 4.35Å; I61-L80 HydrophobicContact CG2-CD1 3.95Å; I61-L80 HydrophobicContact CG2-CD2 3.66Å; I61-L80 HydrophobicContact CG2-CG 4.48Å; L75-L80 HydrophobicContact CB-CD1 3.95Å; L75-L80 HydrophobicContact CD1-CD1 3.96Å; L75-L80 HydrophobicContact CD2-CD1 4.42Å; L75-L80 HydrophobicContact CG-CD1 4.35Å; N78-L80 HydrophobicContact CB-CD1 4.49Å; N78-L80 HydrophobicContact CB-CG 4.11Å; L80-I83 HydrophobicContact CB-CG2 4.31Å; L80-I83 HydrophobicContact CD1-CG2 4.33Å; L80-N100 HydrophobicContact CB-CB 4.25Å; L80-N100 VanDerWaalsContact CB-OD1 3.3Å; L80-N100 WeakPolarHBondContact CB-OD1 3.34Å; L80-N100 WeakPolarHBondContact CG-OD1 3.41Å; L80-N100 PolarHBondContact N-OD1 2.81Å; L80-N101 CarbonylContact O-C 3.47Å; L80-N101 WeakPolarHBondContact O-CA 3.44Å; L80-N101 PolarHBondContact O-N 3.42Å; L80-I102 WeakPolarHBondContact O-CG1 3.19Å; L80-I102 PolarHBondContact O-N 3.47Å
81	N	92.3	Very high	91.4	Very high	98 Å²	98	42.3 Å²	42.3	52%	0.524	23%	0.227	S	C	.	.	S	Bend	trans	-114.3	-20.7	169.8	62.4	1.2	0	0	0	112.6	N101	N81-N101 WeakPolarHBondContact CA-O 3.4Å
82	N	88.9	Confident	91.6	Very high	88 Å²	88	38.4 Å²	38.4	47%	0.471	21%	0.209	S	C	.	.			trans	-127.8	128.3	178.6	-177	-17.1	0	0	0	109	T84	N82-T84 WeakPolarHBondContact OD1-CB 3.3Å; N82-T84 VanDerWaalsContact OD1-CG2 3.23Å; N82-T84 WeakPolarHBondContact OD1-CG2 3.35Å; N82-T84 PolarHBondContact OD1-N 2.84Å; N82-T84 PolarHBondContact OD1-OG1 2.99Å
83	I	90.9	Very high	91.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.207	C	C	.	.			trans	-125.5	18.8	-178.7	56.7	151.8	0	0	0	113.4	I61 L80 S85 I86 I97 I102 L105 P106	I61-I83 HydrophobicContact CD1-CB 4.24Å; I61-I83 HydrophobicContact CD1-CG2 4.1Å; L80-I83 HydrophobicContact CB-CG2 4.31Å; L80-I83 HydrophobicContact CD1-CG2 4.33Å; I83-S85 PolarHBondContact O-N 3Å; I83-S85 VanDerWaalsContact O-N 3.13Å; I83-I86 HydrophobicContact CB-CD1 3.68Å; I83-I86 HydrophobicContact CB-CG1 4.23Å; I83-I86 HydrophobicContact CD1-CD1 4.25Å; I83-I86 HydrophobicContact CG2-CD1 4.07Å; I83-I86 WeakPolarHBondContact O-CB 3.36Å; I83-I86 WeakPolarHBondContact O-CG1 3.43Å; I83-I86 PolarHBondContact O-N 3.39Å; I83-I97 HydrophobicContact CD1-CD1 3.49Å; I83-I97 VanDerWaalsContact CD1-CD1 3.49Å; I83-I102 HydrophobicContact CD1-CD1 4.26Å; I83-I102 HydrophobicContact CD1-CG2 4.49Å; I83-I102 HydrophobicContact CG1-CD1 4.34Å; I83-I102 HydrophobicContact CG1-CG2 4.31Å; I83-I102 HydrophobicContact CG2-CD1 3.5Å; I83-I102 HydrophobicContact CG2-CG1 4.06Å; I83-L105 HydrophobicContact CD1-CD2 3.91Å; I83-P106 HydrophobicContact CD1-CG 4.15Å; I83-P106 HydrophobicContact CG1-CG 4.19Å
84	T	89.9	Confident	91.9	Very high	69 Å²	69	40.4 Å²	40.4	42%	0.423	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-55.1	-32	-178.3	47.8	0	0	0	0	113.5	N82 I86 I87 P106	N82-T84 WeakPolarHBondContact OD1-CB 3.3Å; N82-T84 VanDerWaalsContact OD1-CG2 3.23Å; N82-T84 WeakPolarHBondContact OD1-CG2 3.35Å; N82-T84 PolarHBondContact OD1-N 2.84Å; N82-T84 PolarHBondContact OD1-OG1 2.99Å; T84-I86 PolarHBondContact O-N 3.3Å; T84-I87 WeakPolarHBondContact O-CB 3.1Å; T84-I87 WeakPolarHBondContact O-CD1 3.13Å; T84-I87 VanDerWaalsContact O-CG1 3.29Å; T84-I87 WeakPolarHBondContact O-CG1 3.36Å; T84-I87 PolarHBondContact O-N 2.93Å; T84-P106 HydrophobicContact CG2-CB 4.39Å
85	S	86.9	Confident	92.1	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.084	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-62.9	-20.1	178.5	-50.7	0	0	0	0	114.3	T62 N65 I83 I87 S88	T62-S85 WeakPolarHBondContact CA-OG 3.35Å; N65-S85 WeakPolarHBondContact OD1-CB 3.38Å; I83-S85 PolarHBondContact O-N 3Å; I83-S85 VanDerWaalsContact O-N 3.13Å; S85-I87 PolarHBondContact O-N 3.38Å; S85-S88 WeakPolarHBondContact O-CB 3.49Å; S85-S88 PolarHBondContact O-N 3.01Å; S85-S88 VanDerWaalsContact O-N 3.14Å; S85-S88 PolarHBondContact O-OG 2.91Å
86	I	91.3	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65	-26.2	178.7	-58	179.1	0	0	0	111.4	I61 L75 I83 T84 S88 C89 L92 L95 I97 L111	I61-I86 HydrophobicContact CD1-CD1 3.9Å; I61-I86 HydrophobicContact CD1-CG1 3.58Å; L75-I86 HydrophobicContact CD1-CD1 3.92Å; L75-I86 HydrophobicContact CD1-CG1 4.48Å; I83-I86 HydrophobicContact CB-CD1 3.68Å; I83-I86 HydrophobicContact CB-CG1 4.23Å; I83-I86 HydrophobicContact CD1-CD1 4.25Å; I83-I86 HydrophobicContact CG2-CD1 4.07Å; I83-I86 WeakPolarHBondContact O-CB 3.36Å; I83-I86 WeakPolarHBondContact O-CG1 3.43Å; I83-I86 PolarHBondContact O-N 3.39Å; T84-I86 PolarHBondContact O-N 3.3Å; I86-S88 PolarHBondContact O-N 3.19Å; I86-S88 VanDerWaalsContact O-N 3.1Å; I86-C89 WeakPolarHBondContact O-CB 3.27Å; I86-C89 PolarHBondContact O-N 3.4Å; I86-L92 HydrophobicContact CG2-CD2 3.98Å; I86-L95 HydrophobicContact CD1-CD1 4.01Å; I86-L95 HydrophobicContact CD1-CD2 3.92Å; I86-L95 HydrophobicContact CG2-CD1 4.35Å; I86-L95 HydrophobicContact CG2-CD2 3.83Å; I86-I97 HydrophobicContact CD1-CG2 3.89Å; I86-L111 HydrophobicContact CG2-CD1 4.09Å
87	I	89.6	Confident	92.4	Very high	35 Å²	35	39.7 Å²	39.7	18%	0.179	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.2	-27.1	176.1	-60.2	167.4	0	0	0	111.9	T84 S85 C89 P106 R110	T84-I87 WeakPolarHBondContact O-CB 3.1Å; T84-I87 WeakPolarHBondContact O-CD1 3.13Å; T84-I87 VanDerWaalsContact O-CG1 3.29Å; T84-I87 WeakPolarHBondContact O-CG1 3.36Å; T84-I87 PolarHBondContact O-N 2.93Å; S85-I87 PolarHBondContact O-N 3.38Å; I87-C89 VanDerWaalsContact C-N 3.31Å; I87-P106 HydrophobicContact CD1-CB 3.48Å; I87-P106 VanDerWaalsContact CD1-CB 3.48Å; I87-P106 HydrophobicContact CD1-CG 4.26Å; I87-P106 HydrophobicContact CG1-CB 3.93Å; I87-P106 HydrophobicContact CG1-CG 4.18Å; I87-R110 HydrophobicContact CG2-CB 3.72Å; I87-R110 HydrophobicContact CG2-CG 4.28Å
88	S	88.6	Confident	92.6	Very high	41 Å²	41	36.4 Å²	36.4	29%	0.287	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-71.4	-25.1	177.4	-57.1	0	0	0	0	112.8	N65 S85 I86 K90	N65-S88 PolarHBondContact OD1-OG 3.24Å; S85-S88 WeakPolarHBondContact O-CB 3.49Å; S85-S88 PolarHBondContact O-N 3.01Å; S85-S88 VanDerWaalsContact O-N 3.14Å; S85-S88 PolarHBondContact O-OG 2.91Å; I86-S88 PolarHBondContact O-N 3.19Å; I86-S88 VanDerWaalsContact O-N 3.1Å; S88-K90 PolarHBondContact O-N 3.45Å
89	C	90.4	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.			trans	-77.9	65.3	177.2	-56.8	0	0	0	0	111	L64 L70 I86 I87 S91 L92 L111	L64-C89 PolarHBondContact O-SG 2.95Å; L70-C89 HydrophobicContact CB-CB 4.5Å; I86-C89 WeakPolarHBondContact O-CB 3.27Å; I86-C89 PolarHBondContact O-N 3.4Å; I87-C89 VanDerWaalsContact C-N 3.31Å; C89-S91 PolarHBondContact O-N 3.27Å; C89-L92 HydrophobicContact CB-CB 4.47Å; C89-L92 HydrophobicContact CB-CD1 4.12Å; C89-L92 VanDerWaalsContact O-CB 3.28Å; C89-L92 WeakPolarHBondContact O-CB 3.08Å; C89-L92 PolarHBondContact O-N 3.07Å; C89-L111 WeakPolarHBondContact O-CD2 3.48Å
90	K	89.5	Confident	93.1	Very high	135 Å²	135	37.2 Å²	37.2	59%	0.587	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	-170.2	-65.2	177.1	-175.6	175	0	114.9	S88 L92	S88-K90 PolarHBondContact O-N 3.45Å; K90-L92 VanDerWaalsContact C-N 3.27Å; K90-L92 PolarHBondContact O-N 2.86Å
91	S	92.5	Very high	93.3	Very high	39 Å²	39	41.5 Å²	41.5	27%	0.273	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4	179.4	-50.7	0	0	0	0	113.6	D68 L70 E71 C89 I93	D68-S91 VanDerWaalsContact O-CB 3.27Å; D68-S91 WeakPolarHBondContact O-CB 3.18Å; D68-S91 PolarHBondContact O-N 2.97Å; D68-S91 PolarHBondContact O-OG 3.18Å; L70-S91 CarbonylContact O-C 3.39Å; E71-S91 WeakPolarHBondContact CA-O 3.21Å; C89-S91 PolarHBondContact O-N 3.27Å; S91-I93 PolarHBondContact O-N 3.03Å
92	L	95.7	Very high	93.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.			trans	-64.9	126.8	-172.7	-148.9	83.8	0	0	0	112.1	L70 L73 I86 C89 K90 L95 L111 F113 L114	L70-L92 HydrophobicContact CB-CD1 4.45Å; L70-L92 HydrophobicContact CD2-CD1 4.17Å; L70-L92 HydrophobicContact CG-CD1 4.15Å; L70-L92 VanDerWaalsContact O-CA 3.27Å; L70-L92 WeakPolarHBondContact O-CA 2.97Å; L70-L92 PolarHBondContact O-N 3.25Å; L70-L92 VanDerWaalsContact O-N 3.07Å; L73-L92 HydrophobicContact CB-CD1 3.72Å; L73-L92 HydrophobicContact CD2-CD1 4.46Å; I86-L92 HydrophobicContact CG2-CD2 3.98Å; C89-L92 HydrophobicContact CB-CB 4.47Å; C89-L92 HydrophobicContact CB-CD1 4.12Å; C89-L92 VanDerWaalsContact O-CB 3.28Å; C89-L92 WeakPolarHBondContact O-CB 3.08Å; C89-L92 PolarHBondContact O-N 3.07Å; K90-L92 VanDerWaalsContact C-N 3.27Å; K90-L92 PolarHBondContact O-N 2.86Å; L92-L95 HydrophobicContact CD2-CB 3.58Å; L92-L95 HydrophobicContact CD2-CD1 3.9Å; L92-L95 HydrophobicContact CD2-CD2 4.04Å; L92-L95 HydrophobicContact CD2-CG 4.04Å; L92-L111 HydrophobicContact CD2-CD1 4.32Å; L92-F113 CarbonylContact O-C 3.47Å; L92-L114 HydrophobicContact CD2-CD1 4.01Å; L92-L114 HydrophobicContact CG-CD1 4.49Å; L92-L114 VanDerWaalsContact O-CA 3.26Å; L92-L114 WeakPolarHBondContact O-CA 3.27Å; L92-L114 PolarHBondContact O-N 3.36Å
93	I	96.8	Very high	93.5	Very high	60 Å²	60	37.9 Å²	37.9	31%	0.308	20%	0.199	S	C	.	.	S	Bend	trans	-106.5	-38.2	176.6	-59.6	174.1	0	0	0	110.4	E71 S91 F113 E115 K116	E71-I93 HydrophobicContact CB-CD1 4.16Å; E71-I93 HydrophobicContact CB-CG1 4.34Å; E71-I93 HydrophobicContact CG-CD1 4.21Å; E71-I93 WeakPolarHBondContact O-CA 3.41Å; E71-I93 PolarHBondContact O-N 3.32Å; S91-I93 PolarHBondContact O-N 3.03Å; I93-F113 WeakPolarHBondContact CA-O 2.92Å; I93-F113 HydrophobicContact CG1-CB 4.17Å; I93-E115 HydrophobicContact CG2-CB 4.23Å; I93-E115 HydrophobicContact CG2-CG 4.24Å; I93-E115 PolarHBondContact O-N 3.14Å; I93-K116 PolarHBondContact O-N 2.71Å
94	S	97.5	Very high	93.2	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.5	-177.2	-171.5	0	0	0	0	111.4	E71 C72 L73 K116	E71-S94 PolarHBondContact O-N 2.62Å; C72-S94 WeakPolarHBondContact CA-O 3.44Å; L73-S94 PolarHBondContact N-O 3.38Å; S94-K116 WeakPolarHBondContact CA-O 3.28Å
95	L	97.8	Very high	93.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.2	177.7	-174.3	54.9	0	0	0	111.6	L73 I86 L92 I97 L114 K116 L117 N118	L73-L95 HydrophobicContact CB-CD1 4Å; L73-L95 HydrophobicContact CD2-CD1 3.83Å; L73-L95 HydrophobicContact CG-CD1 3.91Å; L73-L95 WeakPolarHBondContact O-CA 3.39Å; I86-L95 HydrophobicContact CD1-CD1 4.01Å; I86-L95 HydrophobicContact CD1-CD2 3.92Å; I86-L95 HydrophobicContact CG2-CD1 4.35Å; I86-L95 HydrophobicContact CG2-CD2 3.83Å; L92-L95 HydrophobicContact CD2-CB 3.58Å; L92-L95 HydrophobicContact CD2-CD1 3.9Å; L92-L95 HydrophobicContact CD2-CD2 4.04Å; L92-L95 HydrophobicContact CD2-CG 4.04Å; L95-I97 HydrophobicContact CD1-CG2 3.73Å; L95-I97 HydrophobicContact CD2-CD1 4.33Å; L95-I97 HydrophobicContact CD2-CG2 4.19Å; L95-I97 HydrophobicContact CG-CG1 4.45Å; L95-I97 HydrophobicContact CG-CG2 3.9Å; L95-L114 HydrophobicContact CB-CD1 4.02Å; L95-K116 PolarHBondContact N-O 2.91Å; L95-L117 HydrophobicContact CB-CD1 3.8Å; L95-L117 HydrophobicContact CD2-CD1 3.7Å; L95-L117 HydrophobicContact CG-CD1 3.89Å; L95-L117 WeakPolarHBondContact O-CA 3.36Å; L95-N118 PolarHBondContact O-N 3.42Å
96	D	97.4	Very high	93	Very high	38 Å²	38	41 Å²	41	20%	0.203	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.6	164.4	-159.4	-33.5	0	0	0	110	L73 D74 L75 S76 S98 N118	L73-D96 PolarHBondContact O-N 3.43Å; D74-D96 HydrophobicContact CB-CB 4.47Å; L75-D96 WeakPolarHBondContact CA-O 3.5Å; L75-D96 PolarHBondContact N-O 3.12Å; S76-D96 WeakPolarHBondContact CB-OD1 3.41Å; D96-S98 WeakPolarHBondContact OD1-CB 3.44Å; D96-S98 PolarHBondContact OD1-N 3.29Å; D96-S98 PolarHBondContact OD1-OG 3.41Å; D96-N118 HydrophobicContact CB-CB 4.36Å; D96-N118 PolarHBondContact OD1-ND2 2.55Å; D96-N118 PolarHBondContact OD2-ND2 2.93Å
97	I	97	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.			trans	-124.7	21.1	175.3	50.3	172.7	0	0	0	110.3	L75 I83 I86 L95 N100 I102 L105 L117 N118 V119 N122	L75-I97 HydrophobicContact CB-CG2 4.09Å; L75-I97 HydrophobicContact CD1-CG2 4.07Å; I83-I97 HydrophobicContact CD1-CD1 3.49Å; I83-I97 VanDerWaalsContact CD1-CD1 3.49Å; I86-I97 HydrophobicContact CD1-CG2 3.89Å; L95-I97 HydrophobicContact CD1-CG2 3.73Å; L95-I97 HydrophobicContact CD2-CD1 4.33Å; L95-I97 HydrophobicContact CD2-CG2 4.19Å; L95-I97 HydrophobicContact CG-CG1 4.45Å; L95-I97 HydrophobicContact CG-CG2 3.9Å; I97-N100 PolarHBondContact O-ND2 3.36Å; I97-I102 HydrophobicContact CB-CD1 3.93Å; I97-I102 HydrophobicContact CD1-CD1 3.88Å; I97-I102 HydrophobicContact CG1-CD1 4.27Å; I97-L105 HydrophobicContact CD1-CD2 4.02Å; I97-L117 HydrophobicContact CD1-CD1 4.33Å; I97-L117 HydrophobicContact CG1-CD1 4.37Å; I97-N118 VanDerWaalsContact CG1-O 3.3Å; I97-N118 WeakPolarHBondContact CG1-O 3.47Å; I97-N118 PolarHBondContact N-O 2.74Å; I97-V119 HydrophobicContact CD1-CB 4.35Å; I97-V119 HydrophobicContact CD1-CG1 3.58Å; I97-V119 HydrophobicContact CG1-CB 4.27Å; I97-V119 HydrophobicContact CG1-CG1 3.73Å; I97-N122 PolarHBondContact O-ND2 2.72Å
98	S	97.7	Very high	92.5	Very high	8 Å²	8	44.1 Å²	44.1	6%	0.056	22%	0.223	C	C	.	.			trans	-64	156.8	-178.3	61.9	0	0	0	0	112.9	S76 N77 D96 N100 N118 S120	S76-S98 CarbonylContact C-O 3.6Å; S76-S98 WeakPolarHBondContact CA-O 3.39Å; S76-S98 VanDerWaalsContact CB-OG 3.31Å; S76-S98 WeakPolarHBondContact CB-OG 3.35Å; N77-S98 PolarHBondContact N-O 3.37Å; D96-S98 WeakPolarHBondContact OD1-CB 3.44Å; D96-S98 PolarHBondContact OD1-N 3.29Å; D96-S98 PolarHBondContact OD1-OG 3.41Å; S98-N100 PolarHBondContact O-N 3.23Å; S98-N100 PolarHBondContact O-ND2 2.99Å; S98-N100 VanDerWaalsContact O-ND2 3.17Å; S98-N118 PolarHBondContact N-O 2.95Å; S98-N118 PolarHBondContact OG-ND2 3.01Å; S98-S120 CarbonylContact C-O 3.59Å; S98-S120 WeakPolarHBondContact CA-O 3.37Å; S98-S120 VanDerWaalsContact CB-O 3.25Å; S98-S120 WeakPolarHBondContact CB-O 3.35Å; S98-S120 WeakPolarHBondContact CB-OG 3.45Å
99	K	96.8	Very high	92.1	Very high	114 Å²	114	45.3 Å²	45.3	50%	0.496	23%	0.226	S	C	.	.	S	Bend	trans	54.3	52.7	178	-56.5	173.9	-179.2	175.2	0	112.2	N77 N78 S120 H121	N77-K99 VanDerWaalsContact CA-O 3.24Å; N77-K99 WeakPolarHBondContact CA-O 3.27Å; N77-K99 HydrophobicContact CB-CB 4.37Å; N77-K99 PolarHBondContact N-O 3.13Å; N78-K99 PolarHBondContact N-O 3.33Å; K99-S120 PolarHBondContact N-O 2.79Å; K99-H121 HydrophobicContact CB-CB 4.39Å; K99-H121 HydrophobicContact CG-CB 3.8Å
100	N	95.8	Very high	92	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.251	C	S	.	.	S	Bend	trans	-123.9	-171	171.6	-82.5	-78.9	0	0	0	108.9	L75 N78 L80 I97 S98 I102 N122	L75-N100 PolarHBondContact O-ND2 3.07Å; N78-N100 VanDerWaalsContact CA-OD1 3.3Å; N78-N100 WeakPolarHBondContact CA-OD1 3.08Å; N78-N100 WeakPolarHBondContact CB-OD1 3.37Å; N78-N100 PolarHBondContact N-OD1 3.33Å; N78-N100 PolarHBondContact O-OD1 3.27Å; N78-N100 VanDerWaalsContact O-OD1 3.11Å; L80-N100 HydrophobicContact CB-CB 4.25Å; L80-N100 VanDerWaalsContact CB-OD1 3.3Å; L80-N100 WeakPolarHBondContact CB-OD1 3.34Å; L80-N100 WeakPolarHBondContact CG-OD1 3.41Å; L80-N100 PolarHBondContact N-OD1 2.81Å; I97-N100 PolarHBondContact O-ND2 3.36Å; S98-N100 PolarHBondContact O-N 3.23Å; S98-N100 PolarHBondContact O-ND2 2.99Å; S98-N100 VanDerWaalsContact O-ND2 3.17Å; N100-I102 HydrophobicContact CB-CD1 3.98Å; N100-I102 HydrophobicContact CB-CG1 3.94Å; N100-N122 VanDerWaalsContact CA-OD1 3.26Å; N100-N122 WeakPolarHBondContact CA-OD1 3.47Å; N100-N122 WeakPolarHBondContact CB-OD1 2.94Å; N100-N122 PolarHBondContact N-OD1 3.47Å; N100-N122 PolarHBondContact O-OD1 3.01Å
101	N	95.2	Very high	92.1	Very high	89 Å²	89	45.6 Å²	45.6	48%	0.476	22%	0.224	S	C	.	.			trans	-110.1	39.2	177	-73.1	-11.3	0	0	0	111.8	L80 N81 H103 N122	L80-N101 CarbonylContact O-C 3.47Å; L80-N101 WeakPolarHBondContact O-CA 3.44Å; L80-N101 PolarHBondContact O-N 3.42Å; N81-N101 WeakPolarHBondContact CA-O 3.4Å; N101-H103 PolarHBondContact O-CD2 3.43Å; N101-N122 PolarHBondContact N-OD1 2.87Å
102	I	95.5	Very high	91.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.231	C	C	.	.			trans	-80.2	127.9	-174.8	-57.2	167	0	0	0	110.1	L80 I83 I97 N100 E104 L105 N122 P123 L124	L80-I102 WeakPolarHBondContact O-CG1 3.19Å; L80-I102 PolarHBondContact O-N 3.47Å; I83-I102 HydrophobicContact CD1-CD1 4.26Å; I83-I102 HydrophobicContact CD1-CG2 4.49Å; I83-I102 HydrophobicContact CG1-CD1 4.34Å; I83-I102 HydrophobicContact CG1-CG2 4.31Å; I83-I102 HydrophobicContact CG2-CD1 3.5Å; I83-I102 HydrophobicContact CG2-CG1 4.06Å; I97-I102 HydrophobicContact CB-CD1 3.93Å; I97-I102 HydrophobicContact CD1-CD1 3.88Å; I97-I102 HydrophobicContact CG1-CD1 4.27Å; N100-I102 HydrophobicContact CB-CD1 3.98Å; N100-I102 HydrophobicContact CB-CG1 3.94Å; I102-E104 WeakPolarHBondContact CG2-O 3.11Å; I102-L105 HydrophobicContact CG2-CD2 4.23Å; I102-N122 HydrophobicContact CB-CB 4.14Å; I102-N122 VanDerWaalsContact CB-OD1 3.3Å; I102-N122 WeakPolarHBondContact CB-OD1 3.46Å; I102-N122 WeakPolarHBondContact CG1-OD1 3.38Å; I102-N122 PolarHBondContact N-OD1 2.69Å; I102-P123 CarbonylContact O-C 3.24Å; I102-P123 WeakPolarHBondContact O-CD 3.31Å; I102-L124 HydrophobicContact CG2-CD2 4.17Å
103	H	91.3	Very high	91.8	Very high	109 Å²	109	52.5 Å²	52.5	51%	0.505	26%	0.256	S	S	.	.			trans	-101	-26.7	179.2	-71	-74.6	0	0	0	113.9	N101 P123 L124 G125	N101-H103 PolarHBondContact O-CD2 3.43Å; H103-P123 WeakPolarHBondContact CA-O 3.48Å; H103-P123 PolarHBondContact ND1-O 3.09Å; H103-P123 VanDerWaalsContact ND1-O 3.12Å; H103-L124 CarbonylContact O-C 3.15Å; H103-L124 WeakPolarHBondContact O-CA 3.36Å; H103-G125 PolarHBondContact O-N 3.41Å
104	E	85.1	Confident	91.8	Very high	124 Å²	124	49.8 Å²	49.8	58%	0.579	24%	0.242	S	C	*	.			trans	-143.5	147.2	-180	62.2	-179.8	-175.2	0	0	110.2	I102	I102-E104 WeakPolarHBondContact CG2-O 3.11Å
105	L	87.4	Confident	91.8	Very high	9 Å²	9	50.9 Å²	50.9	5%	0.047	24%	0.243	C	C	.	.			trans	-96	136.2	174.8	-60.8	177	0	0	0	108.8	I83 I97 I102 L108 V119 L124 G129 L130	I83-L105 HydrophobicContact CD1-CD2 3.91Å; I97-L105 HydrophobicContact CD1-CD2 4.02Å; I102-L105 HydrophobicContact CG2-CD2 4.23Å; L105-L108 HydrophobicContact CB-CD1 4.36Å; L105-L108 HydrophobicContact CD1-CD1 4.36Å; L105-V119 HydrophobicContact CD1-CG1 4.3Å; L105-V119 HydrophobicContact CD2-CG1 4.12Å; L105-L124 HydrophobicContact CD1-CD1 4.37Å; L105-L124 HydrophobicContact CD2-CD2 4.09Å; L105-L124 HydrophobicContact CG-CD2 4.01Å; L105-G129 WeakPolarHBondContact O-CA 3.1Å; L105-L130 HydrophobicContact CD1-CD1 4.16Å; L105-L130 HydrophobicContact CD1-CD2 3.77Å; L105-L130 HydrophobicContact CD1-CG 3.75Å
106	P	85.4	Confident	91.8	Very high	17 Å²	17	56.2 Å²	56.2	11%	0.11	27%	0.266	C	S	.	.			trans	-64.4	173	170	28.1	-33	0	0	0	110.6	I83 T84 I87 L108 G129	I83-P106 HydrophobicContact CD1-CG 4.15Å; I83-P106 HydrophobicContact CG1-CG 4.19Å; T84-P106 HydrophobicContact CG2-CB 4.39Å; I87-P106 HydrophobicContact CD1-CB 3.48Å; I87-P106 VanDerWaalsContact CD1-CB 3.48Å; I87-P106 HydrophobicContact CD1-CG 4.26Å; I87-P106 HydrophobicContact CG1-CB 3.93Å; I87-P106 HydrophobicContact CG1-CG 4.18Å; P106-L108 VanDerWaalsContact C-N 3.28Å; P106-L108 HydrophobicContact CG-CD2 3.97Å; P106-L108 HydrophobicContact CG-CG 4.45Å; P106-L108 WeakPolarHBondContact O-CG 3.03Å; P106-L108 PolarHBondContact O-N 3.15Å; P106-G129 CarbonylContact O-C 3.54Å; P106-G129 WeakPolarHBondContact O-CA 3.29Å
107	E	81.5	Confident	91.8	Very high	100 Å²	100	54.5 Å²	54.5	47%	0.467	26%	0.257	S	S	.	.			trans	-64.2	84.8	173	-67.3	178.4	180	0	0	111.3	N109 R110	E107-N109 PolarHBondContact O-N 2.93Å; E107-N109 PolarHBondContact O-OD1 2.92Å; E107-R110 HydrophobicContact CB-CG 4.28Å; E107-R110 WeakPolarHBondContact O-CB 3.36Å; E107-R110 WeakPolarHBondContact O-CG 3.4Å; E107-R110 PolarHBondContact O-N 2.82Å; E107-R110 IonicContact OE2-CZ 3.17Å; E107-R110 IonicContact OE2-NE 3.32Å; E107-R110 PolarHBondContact OE2-NE 2.86Å; E107-R110 IonicContact OE2-NH2 2.71Å; E107-R110 PolarHBondContact OE2-NH2 3.12Å
108	L	88.7	Confident	91.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-72	-11.1	-176.5	-68	177.3	0	0	0	112.5	L105 P106 R110 L111 L114 L117 G129 L130 C133	L105-L108 HydrophobicContact CB-CD1 4.36Å; L105-L108 HydrophobicContact CD1-CD1 4.36Å; P106-L108 VanDerWaalsContact C-N 3.28Å; P106-L108 HydrophobicContact CG-CD2 3.97Å; P106-L108 HydrophobicContact CG-CG 4.45Å; P106-L108 WeakPolarHBondContact O-CG 3.03Å; P106-L108 PolarHBondContact O-N 3.15Å; L108-R110 PolarHBondContact O-N 3.27Å; L108-R110 VanDerWaalsContact O-N 3.14Å; L108-L111 HydrophobicContact CD2-CD1 3.78Å; L108-L111 WeakPolarHBondContact O-CB 3.32Å; L108-L111 PolarHBondContact O-N 3.45Å; L108-L114 HydrophobicContact CB-CD2 4.47Å; L108-L117 HydrophobicContact CD1-CD2 3.62Å; L108-G129 PolarHBondContact N-O 2.95Å; L108-L130 HydrophobicContact CD1-CD2 3.85Å; L108-C133 VanDerWaalsContact C-SG 3.55Å
109	N	80.2	Confident	91.9	Very high	65 Å²	65	55.3 Å²	55.3	35%	0.348	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-61.3	-16	168.3	63.7	14.3	0	0	0	113.7	E107 L111 W131 G132	E107-N109 PolarHBondContact O-N 2.93Å; E107-N109 PolarHBondContact O-OD1 2.92Å; N109-L111 PolarHBondContact O-N 3.39Å; N109-W131 VanDerWaalsContact CB-O 3.3Å; N109-W131 WeakPolarHBondContact CB-O 3.46Å; N109-W131 PolarHBondContact ND2-O 2.6Å; N109-G132 WeakPolarHBondContact CB-O 3.48Å
110	R	87	Confident	91.9	Very high	136 Å²	136	50.3 Å²	50.3	51%	0.513	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-73	-8.1	170.9	-62.3	178.2	-177.1	-159.5	2.5	113.1	I87 E107 L108 P112	I87-R110 HydrophobicContact CG2-CB 3.72Å; I87-R110 HydrophobicContact CG2-CG 4.28Å; E107-R110 HydrophobicContact CB-CG 4.28Å; E107-R110 WeakPolarHBondContact O-CB 3.36Å; E107-R110 WeakPolarHBondContact O-CG 3.4Å; E107-R110 PolarHBondContact O-N 2.82Å; E107-R110 IonicContact OE2-CZ 3.17Å; E107-R110 IonicContact OE2-NE 3.32Å; E107-R110 PolarHBondContact OE2-NE 2.86Å; E107-R110 IonicContact OE2-NH2 2.71Å; E107-R110 PolarHBondContact OE2-NH2 3.12Å; L108-R110 PolarHBondContact O-N 3.27Å; L108-R110 VanDerWaalsContact O-N 3.14Å; R110-P112 WeakPolarHBondContact O-CD 3.38Å
111	L	92	Very high	92	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	26%	0.258	C	S	.	.			trans	-100.8	87.3	173.5	-58.1	178.6	0	0	0	109.2	I86 C89 L92 L108 N109 F113 L114	I86-L111 HydrophobicContact CG2-CD1 4.09Å; C89-L111 WeakPolarHBondContact O-CD2 3.48Å; L92-L111 HydrophobicContact CD2-CD1 4.32Å; L108-L111 HydrophobicContact CD2-CD1 3.78Å; L108-L111 WeakPolarHBondContact O-CB 3.32Å; L108-L111 PolarHBondContact O-N 3.45Å; N109-L111 PolarHBondContact O-N 3.39Å; L111-F113 PolarHBondContact O-N 3.47Å; L111-F113 VanDerWaalsContact O-N 3.17Å; L111-L114 HydrophobicContact CB-CB 3.94Å; L111-L114 HydrophobicContact CD1-CD2 4.24Å; L111-L114 PolarHBondContact O-N 3.5Å
112	P	87.8	Confident	92.1	Very high	64 Å²	64	50 Å²	50	42%	0.416	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.3	-168.7	26.8	-36.1	0	0	0	113.3	R110 N135	R110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-N135 PolarHBondContact O-ND2 3.21Å
113	F	94	Very high	92	Very high	120 Å²	120	51.9 Å²	51.9	53%	0.526	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	1.1	-177.1	-57.8	-69.4	0	0	0	113.9	L92 I93 L111 E115	L92-F113 CarbonylContact O-C 3.47Å; I93-F113 WeakPolarHBondContact CA-O 2.92Å; I93-F113 HydrophobicContact CG1-CB 4.17Å; L111-F113 PolarHBondContact O-N 3.47Å; L111-F113 VanDerWaalsContact O-N 3.17Å; F113-E115 WeakPolarHBondContact O-CG 3.41Å; F113-E115 PolarHBondContact O-N 3.49Å; F113-E115 VanDerWaalsContact O-N 3.07Å
114	L	96.4	Very high	91.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.225	C	C	.	.			trans	-66.4	112.1	-174.2	-172.5	68.6	0	0	0	110.9	L92 L95 L108 L111 L117 N135 L136	L92-L114 HydrophobicContact CD2-CD1 4.01Å; L92-L114 HydrophobicContact CG-CD1 4.49Å; L92-L114 VanDerWaalsContact O-CA 3.26Å; L92-L114 WeakPolarHBondContact O-CA 3.27Å; L92-L114 PolarHBondContact O-N 3.36Å; L95-L114 HydrophobicContact CB-CD1 4.02Å; L108-L114 HydrophobicContact CB-CD2 4.47Å; L111-L114 HydrophobicContact CB-CB 3.94Å; L111-L114 HydrophobicContact CD1-CD2 4.24Å; L111-L114 PolarHBondContact O-N 3.5Å; L114-L117 HydrophobicContact CD2-CB 4.47Å; L114-N135 CarbonylContact O-C 3.2Å; L114-N135 VanDerWaalsContact O-C 3.23Å; L114-L136 HydrophobicContact CD2-CD1 4.18Å; L114-L136 HydrophobicContact CG-CD1 3.98Å; L114-L136 WeakPolarHBondContact O-CA 3.47Å; L114-L136 PolarHBondContact O-N 2.88Å
115	E	97.7	Very high	91.6	Very high	62 Å²	62	43 Å²	43	29%	0.29	22%	0.218	S	C	.	.			trans	-106.8	-30	179.6	-64	-153.3	139.5	0	0	113	I93 F113 N135 R137 Y138	I93-E115 HydrophobicContact CG2-CB 4.23Å; I93-E115 HydrophobicContact CG2-CG 4.24Å; I93-E115 PolarHBondContact O-N 3.14Å; F113-E115 WeakPolarHBondContact O-CG 3.41Å; F113-E115 PolarHBondContact O-N 3.49Å; F113-E115 VanDerWaalsContact O-N 3.07Å; E115-N135 WeakPolarHBondContact CA-O 3.16Å; E115-R137 PolarHBondContact O-N 2.89Å; E115-R137 IonicContact OE1-CZ 3.46Å; E115-R137 IonicContact OE1-NE 3.72Å; E115-R137 PolarHBondContact OE1-NE 3.14Å; E115-R137 IonicContact OE1-NH2 2.89Å; E115-R137 PolarHBondContact OE1-NH2 2.98Å; E115-R137 IonicContact OE2-NE 3.14Å; E115-Y138 PolarHBondContact O-N 3.15Å
116	K	98.4	Very high	91	Very high	114 Å²	114	44.9 Å²	44.9	50%	0.496	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128	-177.7	-55.2	-175.3	-179.7	173.8	0	111.5	I93 S94 L95 Y138	I93-K116 PolarHBondContact O-N 2.71Å; S94-K116 WeakPolarHBondContact CA-O 3.28Å; L95-K116 PolarHBondContact N-O 2.91Å; K116-Y138 HydrophobicContact CB-CD1 4.39Å
117	L	98.3	Very high	90.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124	178.1	179.5	63.2	0	0	0	110.8	L95 I97 L108 L114 V119 L130 L136 Y138 L139 D140	L95-L117 HydrophobicContact CB-CD1 3.8Å; L95-L117 HydrophobicContact CD2-CD1 3.7Å; L95-L117 HydrophobicContact CG-CD1 3.89Å; L95-L117 WeakPolarHBondContact O-CA 3.36Å; I97-L117 HydrophobicContact CD1-CD1 4.33Å; I97-L117 HydrophobicContact CG1-CD1 4.37Å; L108-L117 HydrophobicContact CD1-CD2 3.62Å; L114-L117 HydrophobicContact CD2-CB 4.47Å; L117-V119 HydrophobicContact CD1-CG1 3.69Å; L117-V119 HydrophobicContact CD2-CG1 3.84Å; L117-V119 HydrophobicContact CG-CG1 3.61Å; L117-L130 HydrophobicContact CD2-CD2 3.35Å; L117-L136 HydrophobicContact CB-CD1 3.66Å; L117-L136 HydrophobicContact CB-CD2 4.44Å; L117-Y138 PolarHBondContact N-O 2.92Å; L117-L139 HydrophobicContact CB-CD1 4.24Å; L117-L139 HydrophobicContact CD2-CD1 3.95Å; L117-L139 HydrophobicContact CG-CD1 4.16Å; L117-L139 WeakPolarHBondContact O-CA 3.31Å; L117-D140 PolarHBondContact O-N 2.79Å
118	N	98.4	Very high	90.4	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.134	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.6	169.4	-177.7	7.2	0	0	0	109.3	L95 D96 I97 S98 S120 D140	L95-N118 PolarHBondContact O-N 3.42Å; D96-N118 HydrophobicContact CB-CB 4.36Å; D96-N118 PolarHBondContact OD1-ND2 2.55Å; D96-N118 PolarHBondContact OD2-ND2 2.93Å; I97-N118 VanDerWaalsContact CG1-O 3.3Å; I97-N118 WeakPolarHBondContact CG1-O 3.47Å; I97-N118 PolarHBondContact N-O 2.74Å; S98-N118 PolarHBondContact N-O 2.95Å; S98-N118 PolarHBondContact OG-ND2 3.01Å; N118-S120 VanDerWaalsContact OD1-CB 3.32Å; N118-S120 WeakPolarHBondContact OD1-CB 3.24Å; N118-S120 PolarHBondContact OD1-N 2.92Å; N118-S120 VanDerWaalsContact OD1-N 3.1Å; N118-S120 PolarHBondContact OD1-OG 2.67Å; N118-D140 HydrophobicContact CB-CB 4.38Å
119	V	97.5	Very high	89.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.			trans	-118.4	12.4	176.2	-51	0	0	0	0	112.3	I97 L105 L117 N122 L124 D140 M141 C144	I97-V119 HydrophobicContact CD1-CB 4.35Å; I97-V119 HydrophobicContact CD1-CG1 3.58Å; I97-V119 HydrophobicContact CG1-CB 4.27Å; I97-V119 HydrophobicContact CG1-CG1 3.73Å; L105-V119 HydrophobicContact CD1-CG1 4.3Å; L105-V119 HydrophobicContact CD2-CG1 4.12Å; L117-V119 HydrophobicContact CD1-CG1 3.69Å; L117-V119 HydrophobicContact CD2-CG1 3.84Å; L117-V119 HydrophobicContact CG-CG1 3.61Å; V119-N122 WeakPolarHBondContact O-CB 3.12Å; V119-N122 PolarHBondContact O-ND2 2.83Å; V119-L124 HydrophobicContact CB-CD1 4.41Å; V119-L124 HydrophobicContact CG2-CD1 3.75Å; V119-D140 WeakPolarHBondContact CG2-O 3.17Å; V119-D140 PolarHBondContact N-O 2.79Å; V119-M141 HydrophobicContact CG2-CB 4.26Å; V119-M141 HydrophobicContact CG2-CG 3.48Å; V119-M141 VanDerWaalsContact CG2-CG 3.48Å; V119-M141 HydrophobicContact CG2-SD 4.48Å; V119-C144 PolarHBondContact O-SG 3.22Å
120	S	97.7	Very high	90	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.07	21%	0.21	C	C	.	.			trans	-53	149.9	-176.9	59.6	0	0	0	0	112.7	S98 K99 N118 N122 D140 T142	S98-S120 CarbonylContact C-O 3.59Å; S98-S120 WeakPolarHBondContact CA-O 3.37Å; S98-S120 VanDerWaalsContact CB-O 3.25Å; S98-S120 WeakPolarHBondContact CB-O 3.35Å; S98-S120 WeakPolarHBondContact CB-OG 3.45Å; K99-S120 PolarHBondContact N-O 2.79Å; N118-S120 VanDerWaalsContact OD1-CB 3.32Å; N118-S120 WeakPolarHBondContact OD1-CB 3.24Å; N118-S120 PolarHBondContact OD1-N 2.92Å; N118-S120 VanDerWaalsContact OD1-N 3.1Å; N118-S120 PolarHBondContact OD1-OG 2.67Å; S120-N122 VanDerWaalsContact C-N 3.33Å; S120-N122 PolarHBondContact O-N 3.28Å; S120-N122 PolarHBondContact O-ND2 2.92Å; S120-D140 PolarHBondContact N-O 2.85Å; S120-T142 CarbonylContact C-O 3.45Å; S120-T142 VanDerWaalsContact CA-O 3.23Å; S120-T142 WeakPolarHBondContact CA-O 3.46Å; S120-T142 WeakPolarHBondContact CB-O 3.46Å
121	H	97.4	Very high	89.5	Confident	85 Å²	85	36.1 Å²	36.1	39%	0.394	20%	0.196	S	C	.	.	S	Bend	trans	57.7	40.5	-179.1	-55.7	-88	0	0	0	113.9	K99 T142	K99-H121 HydrophobicContact CB-CB 4.39Å; K99-H121 HydrophobicContact CG-CB 3.8Å; H121-T142 PolarHBondContact N-O 3.47Å
122	N	96.5	Very high	88.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.201	C	C	.	.			trans	-121.1	136.5	167.9	-78	-79.2	0	0	0	110.3	I97 N100 N101 I102 V119 S120 L124 C144	I97-N122 PolarHBondContact O-ND2 2.72Å; N100-N122 VanDerWaalsContact CA-OD1 3.26Å; N100-N122 WeakPolarHBondContact CA-OD1 3.47Å; N100-N122 WeakPolarHBondContact CB-OD1 2.94Å; N100-N122 PolarHBondContact N-OD1 3.47Å; N100-N122 PolarHBondContact O-OD1 3.01Å; N101-N122 PolarHBondContact N-OD1 2.87Å; I102-N122 HydrophobicContact CB-CB 4.14Å; I102-N122 VanDerWaalsContact CB-OD1 3.3Å; I102-N122 WeakPolarHBondContact CB-OD1 3.46Å; I102-N122 WeakPolarHBondContact CG1-OD1 3.38Å; I102-N122 PolarHBondContact N-OD1 2.69Å; V119-N122 WeakPolarHBondContact O-CB 3.12Å; V119-N122 PolarHBondContact O-ND2 2.83Å; S120-N122 VanDerWaalsContact C-N 3.33Å; S120-N122 PolarHBondContact O-N 3.28Å; S120-N122 PolarHBondContact O-ND2 2.92Å; N122-L124 HydrophobicContact CB-CD2 4.37Å; N122-L124 HydrophobicContact CB-CG 4.26Å; N122-L124 PolarHBondContact O-N 2.92Å; N122-C144 CarbonylContact O-C 3.18Å; N122-C144 WeakPolarHBondContact O-CA 3.45Å
123	P	93.5	Very high	88.3	Confident	39 Å²	39	33.7 Å²	33.7	25%	0.253	18%	0.183	S	C	.	.			trans	-75.9	66.8	-179.2	33.7	-37.5	0	0	0	112.7	I102 H103 G125	I102-P123 CarbonylContact O-C 3.24Å; I102-P123 WeakPolarHBondContact O-CD 3.31Å; H103-P123 WeakPolarHBondContact CA-O 3.48Å; H103-P123 PolarHBondContact ND1-O 3.09Å; H103-P123 VanDerWaalsContact ND1-O 3.12Å; P123-G125 PolarHBondContact O-N 2.89Å
124	L	88.8	Confident	87.6	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.021	18%	0.179	C	C	.	.			trans	-67.3	114.8	-176	-65.4	178	0	0	0	111.7	I102 H103 L105 V119 N122 I127 C144 L146	I102-L124 HydrophobicContact CG2-CD2 4.17Å; H103-L124 CarbonylContact O-C 3.15Å; H103-L124 WeakPolarHBondContact O-CA 3.36Å; L105-L124 HydrophobicContact CD1-CD1 4.37Å; L105-L124 HydrophobicContact CD2-CD2 4.09Å; L105-L124 HydrophobicContact CG-CD2 4.01Å; V119-L124 HydrophobicContact CB-CD1 4.41Å; V119-L124 HydrophobicContact CG2-CD1 3.75Å; N122-L124 HydrophobicContact CB-CD2 4.37Å; N122-L124 HydrophobicContact CB-CG 4.26Å; N122-L124 PolarHBondContact O-N 2.92Å; L124-I127 HydrophobicContact CD1-CG2 4.29Å; L124-C144 HydrophobicContact CB-CB 4.43Å; L124-C144 HydrophobicContact CD1-CB 4.07Å; L124-C144 HydrophobicContact CG-CB 4.33Å; L124-C144 PolarHBondContact N-O 2.91Å; L124-L146 HydrophobicContact CB-CD2 4.36Å
125	G	79.5	Confident	87.2	Confident	43 Å²	43	35.4 Å²	35.4	44%	0.443	20%	0.196	S	C	.	.	S	Bend	trans	-80.6	-19.5	172	0	0	0	0	0	113.2	H103 P123 L150	H103-G125 PolarHBondContact O-N 3.41Å; P123-G125 PolarHBondContact O-N 2.89Å; G125-L150 WeakPolarHBondContact O-CD2 3.2Å
126	N	73.6	Confident	87	Confident	49 Å²	49	32.4 Å²	32.4	26%	0.262	18%	0.182	S	C	.	.			trans	-152.5	162.5	171.6	67.6	54.3	0	0	0	111.4	S128	N126-S128 PolarHBondContact OD1-OG 3.23Å
127	I	83.2	Confident	86.8	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.174	C	C	.	.			trans	-121.9	7.2	174.4	60.1	163.7	0	0	0	112.8	L124 G129 L130 M141 L146 L150 L151 T190 L191	L124-I127 HydrophobicContact CD1-CG2 4.29Å; I127-G129 PolarHBondContact O-N 3.36Å; I127-G129 VanDerWaalsContact O-N 3.09Å; I127-L130 HydrophobicContact CB-CD1 4.13Å; I127-L130 WeakPolarHBondContact O-CB 3.46Å; I127-L130 PolarHBondContact O-N 2.95Å; I127-M141 HydrophobicContact CG2-SD 4.1Å; I127-L146 HydrophobicContact CG2-CD2 3.88Å; I127-L150 WeakPolarHBondContact CG1-O 3.21Å; I127-L151 HydrophobicContact CD1-CD2 3.89Å; I127-T190 HydrophobicContact CD1-CG2 4.17Å; I127-T190 HydrophobicContact CG1-CG2 4.02Å; I127-T190 VanDerWaalsContact O-CG2 3.27Å; I127-T190 WeakPolarHBondContact O-CG2 3.45Å; I127-L191 HydrophobicContact CD1-CD2 4.15Å; I127-L191 HydrophobicContact CD1-CG 4.34Å
128	S	72.9	Confident	86.8	Confident	68 Å²	68	34.7 Å²	34.7	48%	0.476	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-57.7	-26.9	-175	49	0	0	0	0	113.3	N126 L130 W131	N126-S128 PolarHBondContact OD1-OG 3.23Å; S128-L130 PolarHBondContact O-N 2.88Å; S128-L130 VanDerWaalsContact O-N 3.16Å; S128-W131 WeakPolarHBondContact O-CB 3.27Å; S128-W131 PolarHBondContact O-N 3.33Å
129	G	75.6	Confident	86.8	Confident	5 Å²	5	33.5 Å²	33.5	5%	0.052	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-58.9	-21.7	173	0	0	0	0	0	114.8	L105 P106 L108 I127 W131	L105-G129 WeakPolarHBondContact O-CA 3.1Å; P106-G129 CarbonylContact O-C 3.54Å; P106-G129 WeakPolarHBondContact O-CA 3.29Å; L108-G129 PolarHBondContact N-O 2.95Å; I127-G129 PolarHBondContact O-N 3.36Å; I127-G129 VanDerWaalsContact O-N 3.09Å; G129-W131 PolarHBondContact O-N 3.18Å
130	L	84.6	Confident	86.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-76.9	-11.8	174.2	-61.2	174	0	0	0	113.4	L105 L108 L117 I127 S128 G132 C133 L139 M141 T190 I194	L105-L130 HydrophobicContact CD1-CD1 4.16Å; L105-L130 HydrophobicContact CD1-CD2 3.77Å; L105-L130 HydrophobicContact CD1-CG 3.75Å; L108-L130 HydrophobicContact CD1-CD2 3.85Å; L117-L130 HydrophobicContact CD2-CD2 3.35Å; I127-L130 HydrophobicContact CB-CD1 4.13Å; I127-L130 WeakPolarHBondContact O-CB 3.46Å; I127-L130 PolarHBondContact O-N 2.95Å; S128-L130 PolarHBondContact O-N 2.88Å; S128-L130 VanDerWaalsContact O-N 3.16Å; L130-G132 PolarHBondContact O-N 3.07Å; L130-C133 WeakPolarHBondContact O-CB 3.43Å; L130-C133 PolarHBondContact O-N 2.66Å; L130-C133 VanDerWaalsContact O-N 3.16Å; L130-C133 PolarHBondContact O-SG 2.9Å; L130-L139 HydrophobicContact CD1-CD1 4.27Å; L130-L139 HydrophobicContact CD1-CD2 3.85Å; L130-L139 HydrophobicContact CD2-CD1 4.48Å; L130-M141 HydrophobicContact CD1-SD 3.93Å; L130-T190 HydrophobicContact CB-CG2 4.35Å; L130-I194 HydrophobicContact CB-CD1 3.81Å; L130-I194 HydrophobicContact CD1-CD1 4.4Å
131	W	75.5	Confident	86.8	Confident	59 Å²	59	33.8 Å²	33.8	22%	0.223	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	121.2	-176.3	-177.1	-95.9	0	0	0	111.9	N109 S128 G129 T190 G193 L228 Y229	N109-W131 VanDerWaalsContact CB-O 3.3Å; N109-W131 WeakPolarHBondContact CB-O 3.46Å; N109-W131 PolarHBondContact ND2-O 2.6Å; S128-W131 WeakPolarHBondContact O-CB 3.27Å; S128-W131 PolarHBondContact O-N 3.33Å; G129-W131 PolarHBondContact O-N 3.18Å; W131-T190 HydrophobicContact CE3-CG2 4.33Å; W131-G193 VanDerWaalsContact CZ3-CA 3.49Å; W131-L228 HydrophobicContact CH2-CD1 4.31Å; W131-L228 HydrophobicContact CH2-CD2 3.07Å; W131-L228 HydrophobicContact CH2-CG 4.29Å; W131-L228 HydrophobicContact CZ2-CD2 3.44Å; W131-L228 VanDerWaalsContact CZ2-CD2 3.44Å; W131-L228 HydrophobicContact CZ3-CD2 4.11Å; W131-Y229 AromaticContact CZ2-CE1 3.85Å; W131-Y229 HydrophobicContact CZ2-CE1 3.85Å; W131-Y229 HydrophobicContact CZ2-CE2 4.34Å; W131-Y229 AromaticContact CZ2-CZ 3.61Å; W131-Y229 WeakPolarHBondContact CZ2-OH 3.12Å; W131-Y229 AromaticContact NE1-CE1 3.93Å
132	G	71.4	Confident	86.7	Confident	14 Å²	14	30.5 Å²	30.5	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	14.5	177.6	0	0	0	0	0	114.8	N109 L130 M134 G193	N109-G132 WeakPolarHBondContact CB-O 3.48Å; L130-G132 PolarHBondContact O-N 3.07Å; G132-M134 WeakPolarHBondContact O-CG 2.98Å; G132-M134 PolarHBondContact O-N 2.86Å; G132-G193 WeakPolarHBondContact CA-O 3.4Å; G132-G193 PolarHBondContact N-O 2.92Å; G132-G193 VanDerWaalsContact N-O 3.16Å
133	C	82.5	Confident	86.7	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.027	18%	0.177	C	C	.	.			trans	-69.4	78.2	169.8	-65.3	0	0	0	0	110.7	L108 L130 N135 L136	L108-C133 VanDerWaalsContact C-SG 3.55Å; L130-C133 WeakPolarHBondContact O-CB 3.43Å; L130-C133 PolarHBondContact O-N 2.66Å; L130-C133 VanDerWaalsContact O-N 3.16Å; L130-C133 PolarHBondContact O-SG 2.9Å; C133-N135 VanDerWaalsContact C-N 3.27Å; C133-N135 PolarHBondContact O-N 3.36Å; C133-L136 HydrophobicContact CB-CB 3.85Å; C133-L136 HydrophobicContact CB-CD2 4.33Å; C133-L136 PolarHBondContact O-N 3.49Å
134	M	80.9	Confident	86.7	Confident	90 Å²	90	30 Å²	30	44%	0.443	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.6	-167.8	-68.1	-58.7	-157.5	0	0	114.7	G132 P195 Q196	G132-M134 WeakPolarHBondContact O-CG 2.98Å; G132-M134 PolarHBondContact O-N 2.86Å; M134-P195 HydrophobicContact SD-CG 3.86Å; M134-Q196 WeakPolarHBondContact O-CB 3.25Å; M134-Q196 WeakPolarHBondContact O-CG 3.21Å
135	N	88	Confident	86.6	Confident	68 Å²	68	35.9 Å²	35.9	36%	0.364	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-0.2	-178.2	-72.6	-33.1	0	0	0	113.6	P112 L114 E115 C133 R137	P112-N135 PolarHBondContact O-ND2 3.21Å; L114-N135 CarbonylContact O-C 3.2Å; L114-N135 VanDerWaalsContact O-C 3.23Å; E115-N135 WeakPolarHBondContact CA-O 3.16Å; C133-N135 VanDerWaalsContact C-N 3.27Å; C133-N135 PolarHBondContact O-N 3.36Å; N135-R137 WeakPolarHBondContact O-CG 3.47Å; N135-R137 PolarHBondContact O-N 3.23Å
136	L	92.2	Very high	86.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.			trans	-70.5	120.6	-177.8	-166.4	73.9	0	0	0	110.6	L114 L117 C133 L139 I194 Q196 L197	L114-L136 HydrophobicContact CD2-CD1 4.18Å; L114-L136 HydrophobicContact CG-CD1 3.98Å; L114-L136 WeakPolarHBondContact O-CA 3.47Å; L114-L136 PolarHBondContact O-N 2.88Å; L117-L136 HydrophobicContact CB-CD1 3.66Å; L117-L136 HydrophobicContact CB-CD2 4.44Å; C133-L136 HydrophobicContact CB-CB 3.85Å; C133-L136 HydrophobicContact CB-CD2 4.33Å; C133-L136 PolarHBondContact O-N 3.49Å; L136-L139 HydrophobicContact CD2-CB 4.21Å; L136-L139 HydrophobicContact CD2-CD1 4.32Å; L136-L139 HydrophobicContact CD2-CD2 4.39Å; L136-I194 HydrophobicContact CB-CG2 3.82Å; L136-I194 HydrophobicContact CD2-CD1 4.39Å; L136-I194 HydrophobicContact CD2-CG2 4.13Å; L136-I194 HydrophobicContact CG-CG2 4.43Å; L136-Q196 CarbonylContact O-C 3.32Å; L136-L197 HydrophobicContact CG-CD1 4.42Å; L136-L197 WeakPolarHBondContact O-CA 3.25Å; L136-L197 PolarHBondContact O-N 3.36Å
137	R	95.7	Very high	87.1	Confident	88 Å²	88	32.5 Å²	32.5	33%	0.332	17%	0.165	S	C	.	.			trans	-111.3	-30.8	-177.9	-64.7	170	-168.1	-104	1.8	112.1	E115 N135 R198 F199	E115-R137 PolarHBondContact O-N 2.89Å; E115-R137 IonicContact OE1-CZ 3.46Å; E115-R137 IonicContact OE1-NE 3.72Å; E115-R137 PolarHBondContact OE1-NE 3.14Å; E115-R137 IonicContact OE1-NH2 2.89Å; E115-R137 PolarHBondContact OE1-NH2 2.98Å; E115-R137 IonicContact OE2-NE 3.14Å; N135-R137 WeakPolarHBondContact O-CG 3.47Å; N135-R137 PolarHBondContact O-N 3.23Å; R137-R198 PolarHBondContact O-N 2.83Å; R137-F199 PolarHBondContact O-N 2.92Å
138	Y	98.4	Very high	86.5	Confident	75 Å²	75	33.8 Å²	33.8	29%	0.294	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.2	-178.8	-179.5	-75.7	0	0	0	109.8	E115 K116 L117 D140 F199	E115-Y138 PolarHBondContact O-N 3.15Å; K116-Y138 HydrophobicContact CB-CD1 4.39Å; L117-Y138 PolarHBondContact N-O 2.92Å; Y138-D140 HydrophobicContact CE1-CB 3.94Å; Y138-F199 HydrophobicContact CD1-CD1 4.42Å; Y138-F199 HydrophobicContact CD2-CB 3.78Å; Y138-F199 AromaticContact CD2-CD1 3.35Å; Y138-F199 HydrophobicContact CD2-CD1 3.35Å; Y138-F199 HydrophobicContact CD2-CD2 4.05Å; Y138-F199 AromaticContact CD2-CE1 3.88Å; Y138-F199 HydrophobicContact CD2-CE1 3.88Å; Y138-F199 HydrophobicContact CD2-CE2 4.48Å; Y138-F199 AromaticContact CD2-CG 3.46Å; Y138-F199 HydrophobicContact CD2-CG 3.46Å; Y138-F199 VanDerWaalsContact CD2-CG 3.46Å; Y138-F199 HydrophobicContact CD2-CZ 4.41Å; Y138-F199 HydrophobicContact CE1-CD1 4.34Å; Y138-F199 HydrophobicContact CE1-CE1 4.26Å; Y138-F199 HydrophobicContact CE2-CB 4.44Å; Y138-F199 AromaticContact CE2-CD1 3.26Å; Y138-F199 HydrophobicContact CE2-CD1 3.26Å; Y138-F199 AromaticContact CE2-CD2 3.93Å; Y138-F199 HydrophobicContact CE2-CD2 3.93Å; Y138-F199 AromaticContact CE2-CE1 3.25Å; Y138-F199 HydrophobicContact CE2-CE1 3.25Å; Y138-F199 AromaticContact CE2-CE2 3.9Å; Y138-F199 HydrophobicContact CE2-CE2 3.9Å; Y138-F199 AromaticContact CE2-CG 3.63Å; Y138-F199 HydrophobicContact CE2-CG 3.63Å; Y138-F199 AromaticContact CE2-CZ 3.58Å; Y138-F199 HydrophobicContact CE2-CZ 3.58Å; Y138-F199 HydrophobicContact CG-CB 4.35Å; Y138-F199 AromaticContact CG-CD1 3.94Å; Y138-F199 HydrophobicContact CG-CD1 3.94Å; Y138-F199 HydrophobicContact CG-CG 4.29Å; Y138-F199 AromaticContact CZ-CD1 3.78Å; Y138-F199 AromaticContact CZ-CE1 3.46Å; Y138-F199 VanDerWaalsContact CZ-CE1 3.46Å; Y138-F199 AromaticContact CZ-CZ 3.99Å
139	L	97.9	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.2	176	179.2	57.7	0	0	0	110.4	L117 L130 L136 M141 L191 I194 L197 F199 L200 N201	L117-L139 HydrophobicContact CB-CD1 4.24Å; L117-L139 HydrophobicContact CD2-CD1 3.95Å; L117-L139 HydrophobicContact CG-CD1 4.16Å; L117-L139 WeakPolarHBondContact O-CA 3.31Å; L130-L139 HydrophobicContact CD1-CD1 4.27Å; L130-L139 HydrophobicContact CD1-CD2 3.85Å; L130-L139 HydrophobicContact CD2-CD1 4.48Å; L136-L139 HydrophobicContact CD2-CB 4.21Å; L136-L139 HydrophobicContact CD2-CD1 4.32Å; L136-L139 HydrophobicContact CD2-CD2 4.39Å; L139-M141 HydrophobicContact CD1-CG 3.88Å; L139-M141 HydrophobicContact CD1-SD 4.22Å; L139-M141 HydrophobicContact CD2-CE 3.52Å; L139-M141 HydrophobicContact CD2-CG 4.42Å; L139-M141 HydrophobicContact CD2-SD 3.94Å; L139-M141 HydrophobicContact CG-CE 3.96Å; L139-M141 HydrophobicContact CG-CG 3.98Å; L139-M141 HydrophobicContact CG-SD 4.17Å; L139-L191 HydrophobicContact CD2-CD2 4.19Å; L139-I194 HydrophobicContact CD2-CD1 4.21Å; L139-L197 HydrophobicContact CB-CD1 3.63Å; L139-L197 HydrophobicContact CB-CD2 4.43Å; L139-L197 HydrophobicContact CD2-CD2 4.46Å; L139-F199 PolarHBondContact N-O 3.07Å; L139-L200 HydrophobicContact CB-CD1 4.25Å; L139-L200 HydrophobicContact CD2-CD1 4.09Å; L139-L200 HydrophobicContact CG-CD1 4.16Å; L139-L200 WeakPolarHBondContact O-CA 3.33Å; L139-N201 PolarHBondContact O-N 3.5Å
140	D	98.1	Very high	85.6	Confident	15 Å²	15	34.3 Å²	34.3	8%	0.08	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.1	172	-162.9	-34	0	0	0	111	L117 N118 V119 S120 Y138 T142 N201	L117-D140 PolarHBondContact O-N 2.79Å; N118-D140 HydrophobicContact CB-CB 4.38Å; V119-D140 WeakPolarHBondContact CG2-O 3.17Å; V119-D140 PolarHBondContact N-O 2.79Å; S120-D140 PolarHBondContact N-O 2.85Å; Y138-D140 HydrophobicContact CE1-CB 3.94Å; D140-T142 WeakPolarHBondContact OD1-CB 3.17Å; D140-T142 PolarHBondContact OD1-N 3.13Å; D140-T142 PolarHBondContact OD1-OG1 2.98Å; D140-T142 VanDerWaalsContact OD1-OG1 3.1Å; D140-N201 HydrophobicContact CB-CB 4.29Å; D140-N201 PolarHBondContact OD1-ND2 3.14Å; D140-N201 PolarHBondContact OD2-ND2 3.07Å
141	M	96	Very high	84.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.			trans	-127.8	34.7	177.6	-61.8	-176.7	-67.3	0	0	111.3	V119 I127 L130 L139 S143 C144 L146 L191 L200 N201 L202 N205	V119-M141 HydrophobicContact CG2-CB 4.26Å; V119-M141 HydrophobicContact CG2-CG 3.48Å; V119-M141 VanDerWaalsContact CG2-CG 3.48Å; V119-M141 HydrophobicContact CG2-SD 4.48Å; I127-M141 HydrophobicContact CG2-SD 4.1Å; L130-M141 HydrophobicContact CD1-SD 3.93Å; L139-M141 HydrophobicContact CD1-CG 3.88Å; L139-M141 HydrophobicContact CD1-SD 4.22Å; L139-M141 HydrophobicContact CD2-CE 3.52Å; L139-M141 HydrophobicContact CD2-CG 4.42Å; L139-M141 HydrophobicContact CD2-SD 3.94Å; L139-M141 HydrophobicContact CG-CE 3.96Å; L139-M141 HydrophobicContact CG-CG 3.98Å; L139-M141 HydrophobicContact CG-SD 4.17Å; M141-S143 PolarHBondContact O-N 2.77Å; M141-C144 VanDerWaalsContact C-SG 3.55Å; M141-C144 VanDerWaalsContact CA-SG 3.59Å; M141-C144 HydrophobicContact CB-CB 4.32Å; M141-C144 WeakPolarHBondContact O-CB 3.47Å; M141-C144 PolarHBondContact O-SG 3.11Å; M141-L146 HydrophobicContact CB-CD1 3.94Å; M141-L146 HydrophobicContact CE-CD1 4.28Å; M141-L146 HydrophobicContact SD-CD1 4.28Å; M141-L191 HydrophobicContact CE-CD2 4.02Å; M141-L200 HydrophobicContact CE-CD1 3.88Å; M141-N201 CarbonylContact C-O 3.58Å; M141-N201 PolarHBondContact N-O 2.77Å; M141-L202 HydrophobicContact CB-CD2 4.24Å; M141-L202 HydrophobicContact CE-CD2 3.37Å; M141-N205 PolarHBondContact O-ND2 3.02Å
142	T	96.8	Very high	84	Confident	17 Å²	17	33 Å²	33	10%	0.104	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135.1	174.1	-71.7	0	0	0	0	111.2	S120 H121 D140 C144 N201 S203	S120-T142 CarbonylContact C-O 3.45Å; S120-T142 VanDerWaalsContact CA-O 3.23Å; S120-T142 WeakPolarHBondContact CA-O 3.46Å; S120-T142 WeakPolarHBondContact CB-O 3.46Å; H121-T142 PolarHBondContact N-O 3.47Å; D140-T142 WeakPolarHBondContact OD1-CB 3.17Å; D140-T142 PolarHBondContact OD1-N 3.13Å; D140-T142 PolarHBondContact OD1-OG1 2.98Å; D140-T142 VanDerWaalsContact OD1-OG1 3.1Å; T142-C144 PolarHBondContact O-N 2.72Å; T142-N201 PolarHBondContact OG1-ND2 3.12Å; T142-N201 PolarHBondContact OG1-OD1 2.85Å; T142-N201 VanDerWaalsContact OG1-OD1 3.13Å; T142-S203 CarbonylContact C-O 3.59Å; T142-S203 VanDerWaalsContact CA-O 3.27Å; T142-S203 WeakPolarHBondContact CA-O 3.42Å; T142-S203 VanDerWaalsContact CG2-OG 3.23Å; T142-S203 WeakPolarHBondContact CG2-OG 3.45Å; T142-S203 PolarHBondContact OG1-OG 3.33Å
143	S	95.6	Very high	83.1	Confident	28 Å²	28	33.2 Å²	33.2	20%	0.196	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	35.3	176.1	-56.7	0	0	0	0	114.6	M141 H145 S203 S204	M141-S143 PolarHBondContact O-N 2.77Å; S143-H145 VanDerWaalsContact C-N 3.29Å; S143-H145 PolarHBondContact O-N 2.75Å; S143-S203 PolarHBondContact N-O 2.83Å; S143-S204 WeakPolarHBondContact OG-CB 3.46Å
144	C	92.9	Very high	81.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-87.8	12.3	-179.7	-73.4	0	0	0	0	114.5	V119 N122 L124 M141 T142 L146 N205	V119-C144 PolarHBondContact O-SG 3.22Å; N122-C144 CarbonylContact O-C 3.18Å; N122-C144 WeakPolarHBondContact O-CA 3.45Å; L124-C144 HydrophobicContact CB-CB 4.43Å; L124-C144 HydrophobicContact CD1-CB 4.07Å; L124-C144 HydrophobicContact CG-CB 4.33Å; L124-C144 PolarHBondContact N-O 2.91Å; M141-C144 VanDerWaalsContact C-SG 3.55Å; M141-C144 VanDerWaalsContact CA-SG 3.59Å; M141-C144 HydrophobicContact CB-CB 4.32Å; M141-C144 WeakPolarHBondContact O-CB 3.47Å; M141-C144 PolarHBondContact O-SG 3.11Å; T142-C144 PolarHBondContact O-N 2.72Å; C144-L146 HydrophobicContact CB-CD1 4.35Å; C144-L146 HydrophobicContact CB-CD2 3.93Å; C144-L146 HydrophobicContact CB-CG 3.78Å; C144-L146 PolarHBondContact O-N 3.23Å; C144-N205 PolarHBondContact N-OD1 3.22Å; C144-N205 VanDerWaalsContact N-OD1 3.09Å
145	H	87.6	Confident	79.1	Confident	128 Å²	128	35.4 Å²	35.4	59%	0.593	18%	0.178	S	C	*	.			trans	56.9	28.9	-174.7	-63.6	69	0	0	0	113.5	S143 N147 N205	S143-H145 VanDerWaalsContact C-N 3.29Å; S143-H145 PolarHBondContact O-N 2.75Å; H145-N147 PolarHBondContact O-N 2.86Å; H145-N205 PolarHBondContact N-OD1 2.97Å; H145-N205 VanDerWaalsContact N-OD1 3.11Å
146	L	86.2	Confident	76.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.			trans	-65.8	133.9	-175.5	-58.4	178.8	0	0	0	110.8	L124 I127 M141 C144 L150 L202 N205 L208	L124-L146 HydrophobicContact CB-CD2 4.36Å; I127-L146 HydrophobicContact CG2-CD2 3.88Å; M141-L146 HydrophobicContact CB-CD1 3.94Å; M141-L146 HydrophobicContact CE-CD1 4.28Å; M141-L146 HydrophobicContact SD-CD1 4.28Å; C144-L146 HydrophobicContact CB-CD1 4.35Å; C144-L146 HydrophobicContact CB-CD2 3.93Å; C144-L146 HydrophobicContact CB-CG 3.78Å; C144-L146 PolarHBondContact O-N 3.23Å; L146-L150 HydrophobicContact CD2-CD1 4.11Å; L146-L202 HydrophobicContact CD1-CD2 3.84Å; L146-N205 HydrophobicContact CB-CB 4.12Å; L146-N205 PolarHBondContact N-OD1 3.16Å; L146-L208 HydrophobicContact CB-CD1 4.26Å; L146-L208 HydrophobicContact CB-CD2 4Å; L146-L208 HydrophobicContact CB-CG 4.31Å
147	N	76.9	Confident	73.8	Confident	22 Å²	22	45.6 Å²	45.6	12%	0.118	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-111.1	156.5	175.7	-61.1	-41.5	0	0	0	109.9	H145 Y149 L150 K207	H145-N147 PolarHBondContact O-N 2.86Å; N147-Y149 HydrophobicContact CB-CD1 3.36Å; N147-Y149 HydrophobicContact CB-CE1 3.07Å; N147-Y149 HydrophobicContact CB-CG 4.25Å; N147-Y149 WeakPolarHBondContact ND2-CE1 2.74Å; N147-Y149 PolarHBondContact ND2-OH 2.94Å; N147-Y149 PolarHBondContact O-N 3.03Å; N147-Y149 VanDerWaalsContact O-N 3.07Å; N147-L150 HydrophobicContact CB-CG 4.47Å; N147-L150 WeakPolarHBondContact O-CB 3.26Å; N147-L150 PolarHBondContact O-N 2.83Å; N147-K207 HydrophobicContact CB-CB 4.36Å; N147-K207 WeakPolarHBondContact OD1-CB 3.17Å; N147-K207 WeakPolarHBondContact OD1-CD 3.33Å; N147-K207 WeakPolarHBondContact OD1-CE 3.03Å; N147-K207 WeakPolarHBondContact OD1-CG 3.48Å; N147-K207 PolarHBondContact OD1-NZ 2.67Å
148	S	70.7	Confident	70.8	Confident	29 Å²	29	44.1 Å²	44.1	20%	0.203	22%	0.222	C	C	.	.	H	α-helix	trans	-50.2	-39.1	-178.3	-66.6	0	0	0	0	113.7	L150 L151 I152 K207 V211	S148-L150 VanDerWaalsContact C-N 3.27Å; S148-L150 PolarHBondContact O-N 2.87Å; S148-L151 PolarHBondContact O-N 2.78Å; S148-I152 WeakPolarHBondContact O-CG1 2.95Å; S148-I152 PolarHBondContact O-N 2.87Å; S148-K207 PolarHBondContact N-O 3.23Å; S148-K207 PolarHBondContact OG-O 3.09Å; S148-V211 VanDerWaalsContact OG-CG2 3.3Å; S148-V211 WeakPolarHBondContact OG-CG2 3.26Å
149	Y	63.3	Low	67.8	Low	70 Å²	70	44.9 Å²	44.9	28%	0.275	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-23.7	178.4	67.2	-97.5	0	0	0	114.4	N147 G153 L154	N147-Y149 HydrophobicContact CB-CD1 3.36Å; N147-Y149 HydrophobicContact CB-CE1 3.07Å; N147-Y149 HydrophobicContact CB-CG 4.25Å; N147-Y149 WeakPolarHBondContact ND2-CE1 2.74Å; N147-Y149 PolarHBondContact ND2-OH 2.94Å; N147-Y149 PolarHBondContact O-N 3.03Å; N147-Y149 VanDerWaalsContact O-N 3.07Å; Y149-G153 CarbonylContact O-C 3.35Å; Y149-G153 WeakPolarHBondContact O-CA 3.32Å; Y149-G153 PolarHBondContact O-N 2.83Å; Y149-L154 WeakPolarHBondContact CB-O 3.45Å; Y149-L154 PolarHBondContact O-N 3.37Å; Y149-L154 VanDerWaalsContact O-N 3.14Å
150	L	66.3	Low	64.4	Low	14 Å²	14	52 Å²	52	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-75.6	-32.3	-179.8	-64.2	-177.3	0	0	0	112.2	G125 I127 L146 N147 S148	G125-L150 WeakPolarHBondContact O-CD2 3.2Å; I127-L150 WeakPolarHBondContact CG1-O 3.21Å; L146-L150 HydrophobicContact CD2-CD1 4.11Å; N147-L150 HydrophobicContact CB-CG 4.47Å; N147-L150 WeakPolarHBondContact O-CB 3.26Å; N147-L150 PolarHBondContact O-N 2.83Å; S148-L150 VanDerWaalsContact C-N 3.27Å; S148-L150 PolarHBondContact O-N 2.87Å
151	L	68.4	Low	61.1	Low	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-74.9	-39.4	176.7	-65	-174	0	0	0	111.7	I127 S148 P189 T190 L191 L208 V211 I258	I127-L151 HydrophobicContact CD1-CD2 3.89Å; S148-L151 PolarHBondContact O-N 2.78Å; L151-P189 CarbonylContact O-C 3.52Å; L151-P189 WeakPolarHBondContact O-CA 3.35Å; L151-P189 VanDerWaalsContact O-CB 3.31Å; L151-P189 WeakPolarHBondContact O-CB 3.44Å; L151-T190 PolarHBondContact O-N 3.46Å; L151-L191 HydrophobicContact CD2-CD1 3.64Å; L151-L191 HydrophobicContact CD2-CG 4.1Å; L151-L208 HydrophobicContact CD1-CD1 4.07Å; L151-L208 HydrophobicContact CD1-CD2 3.56Å; L151-L208 HydrophobicContact CD1-CG 4.36Å; L151-L208 HydrophobicContact CG-CD2 3.91Å; L151-V211 HydrophobicContact CB-CG1 4.32Å; L151-V211 HydrophobicContact CD1-CG1 4.23Å; L151-I258 HydrophobicContact CB-CD1 3.91Å; L151-I258 HydrophobicContact CD1-CD1 3.77Å; L151-I258 HydrophobicContact CG-CD1 4.43Å
152	I	58.8	Low	57.8	Low	30 Å²	30	63.7 Å²	63.7	15%	0.154	34%	0.343	C	S	.	.	H	α-helix	trans	-91.1	-31	-175.8	-48.9	165.7	0	0	0	111.7	S148 L154 Y188 V211 I214 I258	S148-I152 WeakPolarHBondContact O-CG1 2.95Å; S148-I152 PolarHBondContact O-N 2.87Å; I152-L154 HydrophobicContact CB-CD1 4.41Å; I152-L154 HydrophobicContact CB-CG 4.33Å; I152-L154 HydrophobicContact CG2-CD1 3.54Å; I152-L154 HydrophobicContact CG2-CG 3.76Å; I152-Y188 CarbonylContact O-C 3.47Å; I152-V211 HydrophobicContact CD1-CG1 4.04Å; I152-V211 HydrophobicContact CD1-CG2 3.97Å; I152-V211 HydrophobicContact CG1-CG1 3.9Å; I152-V211 HydrophobicContact CG1-CG2 4.35Å; I152-I214 HydrophobicContact CD1-CD1 3.36Å; I152-I214 HydrophobicContact CG1-CD1 4.34Å; I152-I258 HydrophobicContact CG1-CG2 4.42Å
153	G	51	Low	54.4	Low	20 Å²	20	66.4 Å²	66.4	21%	0.206	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	19.8	-173	0	0	0	0	0	115.7	Y149 N187	Y149-G153 CarbonylContact O-C 3.35Å; Y149-G153 WeakPolarHBondContact O-CA 3.32Å; Y149-G153 PolarHBondContact O-N 2.83Å; G153-N187 WeakPolarHBondContact O-CB 3.5Å; G153-N187 PolarHBondContact O-ND2 3.31Å
154	L	42.3	Very low	51.2	Low	53 Å²	53	71.3 Å²	71.3	28%	0.277	39%	0.39	S	S	.	.			trans	-117.7	106.9	-169.7	-59.3	177	0	0	0	114	Y149 I152 I176	Y149-L154 WeakPolarHBondContact CB-O 3.45Å; Y149-L154 PolarHBondContact O-N 3.37Å; Y149-L154 VanDerWaalsContact O-N 3.14Å; I152-L154 HydrophobicContact CB-CD1 4.41Å; I152-L154 HydrophobicContact CB-CG 4.33Å; I152-L154 HydrophobicContact CG2-CD1 3.54Å; I152-L154 HydrophobicContact CG2-CG 3.76Å; L154-I176 HydrophobicContact CD2-CD1 3.52Å; L154-I176 HydrophobicContact CD2-CG1 4.1Å; L154-I176 HydrophobicContact CD2-CG2 4.14Å
155	N	37.6	Very low	48.1	Very low	86 Å²	86	76.5 Å²	76.5	46%	0.46	42%	0.418	S	S	.	.			trans	-67.1	144.1	-177.1	-168.6	2.7	0	0	0	113.4	N157 E158	N155-N157 VanDerWaalsContact C-N 3.26Å; N155-N157 PolarHBondContact O-N 2.67Å; N155-E158 PolarHBondContact O-N 3.21Å
156	K	35.1	Very low	45.6	Very low	149 Å²	149	75 Å²	75	65%	0.648	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-56.6	-30.9	179.7	-81.2	-174.1	173.8	-173.7	0	114.3	E158 I159	K156-E158 PolarHBondContact O-N 2.88Å; K156-I159 PolarHBondContact O-N 3Å
157	N	33.5	Very low	43	Very low	133 Å²	133	81.4 Å²	81.4	71%	0.711	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-73.6	-4	-174.9	-68.7	-7.3	0	0	0	114	N155	N155-N157 VanDerWaalsContact C-N 3.26Å; N155-N157 PolarHBondContact O-N 2.67Å
158	E	32.6	Very low	40.6	Very low	58 Å²	58	88.6 Å²	88.6	27%	0.271	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-108.7	2	177.6	-57	-170.9	138.4	0	0	113	N155 K156 T178 K179	N155-E158 PolarHBondContact O-N 3.21Å; K156-E158 PolarHBondContact O-N 2.88Å; E158-T178 WeakPolarHBondContact OE1-CA 3.26Å; E158-T178 WeakPolarHBondContact OE1-CB 3.39Å; E158-T178 WeakPolarHBondContact OE2-CG2 3.45Å; E158-K179 PolarHBondContact OE1-N 3.18Å
159	I	35.5	Very low	38.5	Very low	90 Å²	90	90.5 Å²	90.5	46%	0.462	51%	0.51	S	S	.	.			trans	-105.9	92.4	-179	-52.4	174.4	0	0	0	108	K156 L161	K156-I159 PolarHBondContact O-N 3Å; I159-L161 PolarHBondContact O-N 2.59Å
160	Q	26.5	Very low	37	Very low	150 Å²	150	92.4 Å²	92.4	70%	0.701	53%	0.534	S	S	*	.			trans	-72.5	116.7	166.9	-156.3	158	-3.8	0	0	107.4	G162 A163	Q160-G162 PolarHBondContact O-N 3.3Å; Q160-A163 PolarHBondContact O-N 3.21Å; Q160-A163 VanDerWaalsContact O-N 3.17Å
161	L	29	Very low	35.2	Very low	183 Å²	183	98.9 Å²	98.9	96%	0.958	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	22.6	-175.3	-93.2	153.6	0	0	0	116.1	I159	I159-L161 PolarHBondContact O-N 2.59Å
162	G	27.5	Very low	33.5	Very low	77 Å²	77	105.9 Å²	105.9	79%	0.794	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	-0.9	175.4	0	0	0	0	0	115.3	Q160	Q160-G162 PolarHBondContact O-N 3.3Å
163	A	25.1	Very low	32.3	Very low	74 Å²	74	110 Å²	110	61%	0.612	63%	0.628	S	S	*	*	S	Bend	trans	-149.9	86.9	-179.3	0	0	0	0	0	111	Q160	Q160-A163 PolarHBondContact O-N 3.21Å; Q160-A163 VanDerWaalsContact O-N 3.17Å
164	I	29.1	Very low	31.6	Very low	132 Å²	132	112.8 Å²	112.8	68%	0.677	64%	0.638	S	S	*	*			trans	-167	87.9	136.2	-75.4	130.3	0	0	0	103.3	P166	I164-P166 HydrophobicContact CG2-CG 4.09Å; I164-P166 WeakPolarHBondContact O-CD 3.48Å
165	N	26.8	Very low	31.1	Very low	108 Å²	108	112.8 Å²	112.8	58%	0.578	64%	0.643	S	S	*	*			trans	-76.8	115.2	148.5	-166.6	4.6	0	0	0	104.1	L167	N165-L167 PolarHBondContact O-N 2.74Å
166	P	34.5	Very low	31.2	Very low	97 Å²	97	111.1 Å²	111.1	63%	0.63	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	7.8	-177	-18.8	30.5	0	0	0	114.5	I164	I164-P166 HydrophobicContact CG2-CG 4.09Å; I164-P166 WeakPolarHBondContact O-CD 3.48Å
167	L	33	Very low	31	Very low	135 Å²	135	111.4 Å²	111.4	71%	0.707	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	14.5	-160.9	-69.9	174.2	0	0	0	116	N165	N165-L167 PolarHBondContact O-N 2.74Å
168	E	26	Very low	30.9	Very low	172 Å²	172	105.4 Å²	105.4	80%	0.804	60%	0.599	S	S	*	*	S	Bend	trans	-101.5	91.3	168.8	-86.9	-172.4	162.8	0	0	112.9
169	G	27.3	Very low	30.9	Very low	70 Å²	70	109.3 Å²	109.3	72%	0.722	62%	0.615	S	S	*	*			trans	39.4	88.1	135.5	0	0	0	0	0	119.1
170	S	30.3	Very low	30.9	Very low	110 Å²	110	113 Å²	113	77%	0.769	63%	0.631	S	S	*	*	S	Bend		152.3	120.3	126.8	59.8	0	0	0	0	110.4
171	N	30.3	Very low	31.3	Very low	150 Å²	150	109.1 Å²	109.1	80%	0.802	62%	0.617	S	S	*	*			trans	70.4	56.6	167.9	-59.8	-15.8	0	0	0	118.3	N173	N171-N173 PolarHBondContact O-N 3.08Å; N171-N173 VanDerWaalsContact O-N 3.16Å
172	N	31.4	Very low	31.4	Very low	147 Å²	147	106.5 Å²	106.5	79%	0.786	60%	0.604	S	S	*	*				22.9	74.5	128.9	-62.4	-5.3	0	0	0	118.9
173	N	33.5	Very low	31.4	Very low	116 Å²	116	111.9 Å²	111.9	62%	0.62	60%	0.601	S	S	*	*			trans	-145.9	124.5	149.2	-82.6	-43.9	0	0	0	108.2	N171 S175	N171-N173 PolarHBondContact O-N 3.08Å; N171-N173 VanDerWaalsContact O-N 3.16Å; N173-S175 PolarHBondContact O-N 3.31Å; N173-S175 PolarHBondContact O-OG 3.07Å
174	L	36	Very low	31.6	Very low	78 Å²	78	115.1 Å²	115.1	41%	0.408	60%	0.601	S	S	.	*			trans	-70.2	73.2	164.8	-88.8	163.7	0	0	0	107.9	E220 W223 I224	L174-E220 HydrophobicContact CD1-CB 4.09Å; L174-E220 HydrophobicContact CD1-CG 4.03Å; L174-W223 HydrophobicContact CB-CE3 4.18Å; L174-W223 HydrophobicContact CB-CH2 4.21Å; L174-W223 HydrophobicContact CB-CZ3 3.81Å; L174-W223 HydrophobicContact CD1-CE3 4.29Å; L174-W223 WeakPolarHBondContact O-CH2 3.5Å; L174-I224 HydrophobicContact CD1-CD1 4.01Å; L174-I224 HydrophobicContact CD1-CG1 4.1Å
175	S	32.5	Very low	31.9	Very low	54 Å²	54	112.5 Å²	112.5	38%	0.378	59%	0.588	S	S	.	*			trans	-116.8	93.2	-175.9	69.3	0	0	0	0	105.6	N173 Y177 F184	N173-S175 PolarHBondContact O-N 3.31Å; N173-S175 PolarHBondContact O-OG 3.07Å; S175-Y177 PolarHBondContact O-N 3.16Å; S175-F184 VanDerWaalsContact C-CD1 3.49Å; S175-F184 VanDerWaalsContact C-CE1 3.49Å; S175-F184 VanDerWaalsContact CB-CD1 3.43Å; S175-F184 WeakPolarHBondContact OG-CE1 3.38Å
176	I	39.2	Very low	32.5	Very low	51 Å²	51	111.9 Å²	111.9	26%	0.262	58%	0.58	S	S	.	*			trans	-71.7	121.2	-173.6	-60.8	146.9	0	0	0	108.6	L154 T178 F184	L154-I176 HydrophobicContact CD2-CD1 3.52Å; L154-I176 HydrophobicContact CD2-CG1 4.1Å; L154-I176 HydrophobicContact CD2-CG2 4.14Å; I176-T178 HydrophobicContact CG2-CG2 4.44Å; I176-T178 PolarHBondContact O-N 2.6Å; I176-F184 WeakPolarHBondContact O-CD1 3.48Å
177	Y	30.6	Very low	33	Very low	155 Å²	155	111 Å²	111	61%	0.608	57%	0.57	S	S	*	*			trans	-77.2	102.5	173.3	-174.7	-94.8	0	0	0	109.2	S175 K179 N182	S175-Y177 PolarHBondContact O-N 3.16Å; Y177-K179 HydrophobicContact CE1-CB 4.48Å; Y177-K179 HydrophobicContact CE1-CG 4.26Å; Y177-N182 PolarHBondContact OH-OD1 3Å
178	T	32.3	Very low	34	Very low	6 Å²	6	106.4 Å²	106.4	4%	0.037	54%	0.543	C	S	.	.			trans	-85.7	118.7	170	64.1	0	0	0	0	109	E158 I176 E180 T181 N182 R183 I185	E158-T178 WeakPolarHBondContact OE1-CA 3.26Å; E158-T178 WeakPolarHBondContact OE1-CB 3.39Å; E158-T178 WeakPolarHBondContact OE2-CG2 3.45Å; I176-T178 HydrophobicContact CG2-CG2 4.44Å; I176-T178 PolarHBondContact O-N 2.6Å; T178-E180 PolarHBondContact O-N 3.34Å; T178-T181 PolarHBondContact O-N 3.45Å; T178-T181 PolarHBondContact OG1-OG1 3.3Å; T178-N182 PolarHBondContact O-N 3.46Å; T178-R183 PolarHBondContact OG1-O 2.59Å; T178-I185 HydrophobicContact CG2-CB 4.17Å; T178-I185 HydrophobicContact CG2-CD1 4.17Å; T178-I185 HydrophobicContact CG2-CG1 4.1Å
179	K	31.9	Very low	35.9	Very low	140 Å²	140	98.7 Å²	98.7	61%	0.609	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-25	-173.4	-149.2	174.3	-171	174.6	0	112.3	E158 Y177	E158-K179 PolarHBondContact OE1-N 3.18Å; Y177-K179 HydrophobicContact CE1-CB 4.48Å; Y177-K179 HydrophobicContact CE1-CG 4.26Å
180	E	35.8	Very low	37.9	Very low	169 Å²	169	96 Å²	96	79%	0.79	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-23.3	-173.2	-69.3	-175.3	171.4	0	0	114.7	T178	T178-E180 PolarHBondContact O-N 3.34Å
181	T	35.5	Very low	40.4	Very low	67 Å²	67	90.7 Å²	90.7	41%	0.411	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-5.1	-172.8	66.6	0	0	0	0	116.4	T178 R183	T178-T181 PolarHBondContact O-N 3.45Å; T178-T181 PolarHBondContact OG1-OG1 3.3Å; T181-R183 WeakPolarHBondContact O-CG 3.15Å; T181-R183 PolarHBondContact O-N 3.06Å
182	N	30.6	Very low	42.4	Very low	129 Å²	129	83.9 Å²	83.9	69%	0.69	40%	0.404	S	S	*	.	S	Bend	trans	45.3	30.4	-171.8	-86.8	-19.2	0	0	0	112	Y177 T178	Y177-N182 PolarHBondContact OH-OD1 3Å; T178-N182 PolarHBondContact O-N 3.46Å
183	R	28	Very low	44.2	Very low	190 Å²	190	76.9 Å²	76.9	72%	0.717	37%	0.367	S	S	*	.	S	Bend	trans	-125.4	138.4	177.9	-74.5	178.8	178.5	176.1	0.5	108.3	T178 T181 I185	T178-R183 PolarHBondContact OG1-O 2.59Å; T181-R183 WeakPolarHBondContact O-CG 3.15Å; T181-R183 PolarHBondContact O-N 3.06Å; R183-I185 PolarHBondContact O-N 3.03Å
184	F	30.2	Very low	46.3	Very low	141 Å²	141	71.3 Å²	71.3	62%	0.618	34%	0.337	S	S	*	.			trans	-67.4	101.1	167.8	-65.8	-62.7	0	0	0	109	S175 I176 K186	S175-F184 VanDerWaalsContact C-CD1 3.49Å; S175-F184 VanDerWaalsContact C-CE1 3.49Å; S175-F184 VanDerWaalsContact CB-CD1 3.43Å; S175-F184 WeakPolarHBondContact OG-CE1 3.38Å; I176-F184 WeakPolarHBondContact O-CD1 3.48Å; F184-K186 PolarHBondContact O-N 3.23Å
185	I	34.5	Very low	48.2	Very low	77 Å²	77	68.8 Å²	68.8	40%	0.395	33%	0.325	S	S	.	.			trans	-85.3	105.8	166.7	-51.2	180	0	0	0	106.5	T178 R183 N187	T178-I185 HydrophobicContact CG2-CB 4.17Å; T178-I185 HydrophobicContact CG2-CD1 4.17Å; T178-I185 HydrophobicContact CG2-CG1 4.1Å; R183-I185 PolarHBondContact O-N 3.03Å; I185-N187 VanDerWaalsContact C-N 3.26Å; I185-N187 WeakPolarHBondContact CG2-OD1 3.33Å; I185-N187 PolarHBondContact O-N 2.9Å
186	K	39.3	Very low	50.6	Low	96 Å²	96	68.3 Å²	68.3	42%	0.417	32%	0.317	S	S	.	.			trans	-68.5	82.2	174.7	-75.9	169.4	161	-170.7	0	109.4	F184 Y188	F184-K186 PolarHBondContact O-N 3.23Å; K186-Y188 HydrophobicContact CB-CD2 4.42Å; K186-Y188 HydrophobicContact CB-CE2 3.7Å; K186-Y188 HydrophobicContact CD-CE2 4.39Å; K186-Y188 VanDerWaalsContact CD-OH 3.3Å; K186-Y188 WeakPolarHBondContact CD-OH 3.48Å; K186-Y188 HydrophobicContact CG-CE2 4.49Å
187	N	44.8	Very low	53	Low	78 Å²	78	65.9 Å²	65.9	42%	0.417	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-86.9	117.7	169.2	-75.6	-13.8	0	0	0	109	G153 I185	G153-N187 WeakPolarHBondContact O-CB 3.5Å; G153-N187 PolarHBondContact O-ND2 3.31Å; I185-N187 VanDerWaalsContact C-N 3.26Å; I185-N187 WeakPolarHBondContact CG2-OD1 3.33Å; I185-N187 PolarHBondContact O-N 2.9Å
188	Y	54.1	Low	56.1	Low	39 Å²	39	63 Å²	63	15%	0.153	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-101	145.7	178.4	-60.3	-79.1	0	0	0	110.7	I152 K186 T190 I224 N227 L228	I152-Y188 CarbonylContact O-C 3.47Å; K186-Y188 HydrophobicContact CB-CD2 4.42Å; K186-Y188 HydrophobicContact CB-CE2 3.7Å; K186-Y188 HydrophobicContact CD-CE2 4.39Å; K186-Y188 VanDerWaalsContact CD-OH 3.3Å; K186-Y188 WeakPolarHBondContact CD-OH 3.48Å; K186-Y188 HydrophobicContact CG-CE2 4.49Å; Y188-T190 PolarHBondContact O-N 2.98Å; Y188-I224 HydrophobicContact CD1-CG2 4.19Å; Y188-N227 PolarHBondContact OH-O 3.31Å; Y188-L228 HydrophobicContact CD1-CD2 3.4Å; Y188-L228 VanDerWaalsContact CD1-CD2 3.4Å; Y188-L228 HydrophobicContact CD1-CG 3.64Å; Y188-L228 HydrophobicContact CD2-CD2 3.6Å; Y188-L228 HydrophobicContact CE1-CB 4.49Å; Y188-L228 HydrophobicContact CE1-CD2 3.98Å; Y188-L228 HydrophobicContact CE1-CG 3.93Å; Y188-L228 HydrophobicContact CE2-CD2 4.15Å; Y188-L228 HydrophobicContact CG-CD2 3.17Å; Y188-L228 HydrophobicContact CG-CG 3.97Å
189	P	66.8	Low	59.2	Low	9 Å²	9	64.8 Å²	64.8	6%	0.058	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-59.6	117.4	177.1	-21.2	31.2	0	0	0	110.5	L151 L191 L192	L151-P189 CarbonylContact O-C 3.52Å; L151-P189 WeakPolarHBondContact O-CA 3.35Å; L151-P189 VanDerWaalsContact O-CB 3.31Å; L151-P189 WeakPolarHBondContact O-CB 3.44Å; P189-L191 VanDerWaalsContact C-N 3.26Å; P189-L191 PolarHBondContact O-N 3.01Å; P189-L192 HydrophobicContact CB-CD1 3.97Å; P189-L192 HydrophobicContact CB-CG 4.02Å; P189-L192 HydrophobicContact CG-CD1 3.91Å; P189-L192 WeakPolarHBondContact O-CB 3.46Å; P189-L192 PolarHBondContact O-N 3.03Å
190	T	69.1	Low	62.3	Low	13 Å²	13	58.1 Å²	58.1	8%	0.08	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.9	-35.1	-166.2	-62.5	0	0	0	0	112.8	I127 L130 W131 L151 Y188 L192 G193	I127-T190 HydrophobicContact CD1-CG2 4.17Å; I127-T190 HydrophobicContact CG1-CG2 4.02Å; I127-T190 VanDerWaalsContact O-CG2 3.27Å; I127-T190 WeakPolarHBondContact O-CG2 3.45Å; L130-T190 HydrophobicContact CB-CG2 4.35Å; W131-T190 HydrophobicContact CE3-CG2 4.33Å; L151-T190 PolarHBondContact O-N 3.46Å; Y188-T190 PolarHBondContact O-N 2.98Å; T190-L192 PolarHBondContact O-N 2.79Å; T190-G193 PolarHBondContact O-N 3.24Å
191	L	81.4	Confident	65.2	Low	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-64.4	-25.2	179.6	-62.8	-175.7	0	0	0	113.1	I127 L139 M141 L151 P189 G193 I194 L200 L259 P260	I127-L191 HydrophobicContact CD1-CD2 4.15Å; I127-L191 HydrophobicContact CD1-CG 4.34Å; L139-L191 HydrophobicContact CD2-CD2 4.19Å; M141-L191 HydrophobicContact CE-CD2 4.02Å; L151-L191 HydrophobicContact CD2-CD1 3.64Å; L151-L191 HydrophobicContact CD2-CG 4.1Å; P189-L191 VanDerWaalsContact C-N 3.26Å; P189-L191 PolarHBondContact O-N 3.01Å; L191-G193 PolarHBondContact O-N 3.39Å; L191-I194 HydrophobicContact CD2-CD1 4.13Å; L191-I194 PolarHBondContact O-N 2.96Å; L191-I194 VanDerWaalsContact O-N 3.12Å; L191-L200 HydrophobicContact CD1-CD2 4.05Å; L191-L259 HydrophobicContact CD1-CD2 3.5Å; L191-L259 VanDerWaalsContact CD1-CD2 3.5Å; L191-P260 WeakPolarHBondContact O-CG 3.24Å
192	L	73.7	Confident	68.1	Low	6 Å²	6	47.6 Å²	47.6	3%	0.031	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-67.6	-21.8	174.7	-63.2	-175.6	0	0	0	112.9	P189 T190 I194 W221 I224 I258	P189-L192 HydrophobicContact CB-CD1 3.97Å; P189-L192 HydrophobicContact CB-CG 4.02Å; P189-L192 HydrophobicContact CG-CD1 3.91Å; P189-L192 WeakPolarHBondContact O-CB 3.46Å; P189-L192 PolarHBondContact O-N 3.03Å; T190-L192 PolarHBondContact O-N 2.79Å; L192-I194 PolarHBondContact O-N 3.24Å; L192-W221 HydrophobicContact CD1-CE3 4.22Å; L192-W221 HydrophobicContact CD1-CH2 4.21Å; L192-W221 HydrophobicContact CD1-CZ3 3.56Å; L192-W221 HydrophobicContact CD2-CH2 3.3Å; L192-W221 HydrophobicContact CD2-CZ3 3.35Å; L192-W221 HydrophobicContact CG-CH2 4.33Å; L192-W221 HydrophobicContact CG-CZ3 4.08Å; L192-I224 HydrophobicContact CD1-CG2 4Å; L192-I258 WeakPolarHBondContact CD2-O 3.35Å
193	G	69	Low	71.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-75.4	4.6	172.2	0	0	0	0	0	114.4	W131 G132 T190 L191 P195	W131-G193 VanDerWaalsContact CZ3-CA 3.49Å; G132-G193 WeakPolarHBondContact CA-O 3.4Å; G132-G193 PolarHBondContact N-O 2.92Å; G132-G193 VanDerWaalsContact N-O 3.16Å; T190-G193 PolarHBondContact O-N 3.24Å; L191-G193 PolarHBondContact O-N 3.39Å; G193-P195 VanDerWaalsContact C-CD 3.47Å; G193-P195 WeakPolarHBondContact O-CD 3.2Å
194	I	77.7	Confident	74.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.			trans	-121.7	70.1	-179.2	-43.7	175.4	0	0	0	109.4	L130 L136 L139 L191 L192 Q196 L197 P260	L130-I194 HydrophobicContact CB-CD1 3.81Å; L130-I194 HydrophobicContact CD1-CD1 4.4Å; L136-I194 HydrophobicContact CB-CG2 3.82Å; L136-I194 HydrophobicContact CD2-CD1 4.39Å; L136-I194 HydrophobicContact CD2-CG2 4.13Å; L136-I194 HydrophobicContact CG-CG2 4.43Å; L139-I194 HydrophobicContact CD2-CD1 4.21Å; L191-I194 HydrophobicContact CD2-CD1 4.13Å; L191-I194 PolarHBondContact O-N 2.96Å; L191-I194 VanDerWaalsContact O-N 3.12Å; L192-I194 PolarHBondContact O-N 3.24Å; I194-Q196 VanDerWaalsContact C-N 3.27Å; I194-Q196 PolarHBondContact O-N 2.94Å; I194-L197 HydrophobicContact CG2-CB 4.04Å; I194-L197 HydrophobicContact CG2-CD1 4.29Å; I194-L197 WeakPolarHBondContact O-CB 3.35Å; I194-L197 PolarHBondContact O-N 3.16Å; I194-P260 WeakPolarHBondContact O-CG 3.42Å
195	P	75.3	Confident	77.4	Confident	24 Å²	24	28.5 Å²	28.5	16%	0.156	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.3	-165	28.9	-37.1	0	0	0	114.9	M134 G193 K262	M134-P195 HydrophobicContact SD-CG 3.86Å; G193-P195 VanDerWaalsContact C-CD 3.47Å; G193-P195 WeakPolarHBondContact O-CD 3.2Å; P195-K262 VanDerWaalsContact O-CD 3.31Å; P195-K262 WeakPolarHBondContact O-CD 3.41Å
196	Q	83.8	Confident	79.9	Confident	44 Å²	44	28.3 Å²	28.3	21%	0.206	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4.7	-179.9	-58.3	-61	-18.5	0	0	113.7	M134 L136 I194 R198 K262	M134-Q196 WeakPolarHBondContact O-CB 3.25Å; M134-Q196 WeakPolarHBondContact O-CG 3.21Å; L136-Q196 CarbonylContact O-C 3.32Å; I194-Q196 VanDerWaalsContact C-N 3.27Å; I194-Q196 PolarHBondContact O-N 2.94Å; Q196-R198 PolarHBondContact O-N 3Å; Q196-K262 VanDerWaalsContact CD-NZ 3.26Å; Q196-K262 VanDerWaalsContact NE2-NZ 3.15Å
197	L	89.1	Confident	82	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.			trans	-63.6	126.8	-176.2	-163.1	68.7	0	0	0	111.3	L136 L139 I194 L200 P260 K262 I263	L136-L197 HydrophobicContact CG-CD1 4.42Å; L136-L197 WeakPolarHBondContact O-CA 3.25Å; L136-L197 PolarHBondContact O-N 3.36Å; L139-L197 HydrophobicContact CB-CD1 3.63Å; L139-L197 HydrophobicContact CB-CD2 4.43Å; L139-L197 HydrophobicContact CD2-CD2 4.46Å; I194-L197 HydrophobicContact CG2-CB 4.04Å; I194-L197 HydrophobicContact CG2-CD1 4.29Å; I194-L197 WeakPolarHBondContact O-CB 3.35Å; I194-L197 PolarHBondContact O-N 3.16Å; L197-L200 HydrophobicContact CD2-CB 3.97Å; L197-L200 HydrophobicContact CD2-CD1 4.12Å; L197-L200 HydrophobicContact CD2-CD2 4.14Å; L197-L200 HydrophobicContact CD2-CG 4.29Å; L197-P260 HydrophobicContact CB-CG 4.37Å; L197-K262 CarbonylContact O-C 3.59Å; L197-K262 VanDerWaalsContact O-C 3.24Å; L197-I263 HydrophobicContact CD2-CD1 4.39Å; L197-I263 PolarHBondContact O-N 2.77Å
198	R	94.2	Very high	83.8	Confident	94 Å²	94	25.4 Å²	25.4	36%	0.355	13%	0.128	S	C	.	.			trans	-115	-37.5	179.4	-62.8	-171.7	-174.4	-167.4	0	112.1	R137 Q196 E264 Y265	R137-R198 PolarHBondContact O-N 2.83Å; Q196-R198 PolarHBondContact O-N 3Å; R198-E264 WeakPolarHBondContact CD-OE1 3.47Å; R198-E264 IonicContact NE-OE1 2.59Å; R198-E264 IonicContact NH1-OE1 2.67Å; R198-E264 PolarHBondContact O-N 2.8Å; R198-Y265 PolarHBondContact O-N 3.5Å
199	F	98	Very high	84.9	Confident	45 Å²	45	24.6 Å²	24.6	20%	0.197	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.5	178.7	-177.9	-73.6	0	0	0	108.9	R137 Y138 L139 N201 Y265	R137-F199 PolarHBondContact O-N 2.92Å; Y138-F199 HydrophobicContact CD1-CD1 4.42Å; Y138-F199 HydrophobicContact CD2-CB 3.78Å; Y138-F199 AromaticContact CD2-CD1 3.35Å; Y138-F199 HydrophobicContact CD2-CD1 3.35Å; Y138-F199 HydrophobicContact CD2-CD2 4.05Å; Y138-F199 AromaticContact CD2-CE1 3.88Å; Y138-F199 HydrophobicContact CD2-CE1 3.88Å; Y138-F199 HydrophobicContact CD2-CE2 4.48Å; Y138-F199 AromaticContact CD2-CG 3.46Å; Y138-F199 HydrophobicContact CD2-CG 3.46Å; Y138-F199 VanDerWaalsContact CD2-CG 3.46Å; Y138-F199 HydrophobicContact CD2-CZ 4.41Å; Y138-F199 HydrophobicContact CE1-CD1 4.34Å; Y138-F199 HydrophobicContact CE1-CE1 4.26Å; Y138-F199 HydrophobicContact CE2-CB 4.44Å; Y138-F199 AromaticContact CE2-CD1 3.26Å; Y138-F199 HydrophobicContact CE2-CD1 3.26Å; Y138-F199 AromaticContact CE2-CD2 3.93Å; Y138-F199 HydrophobicContact CE2-CD2 3.93Å; Y138-F199 AromaticContact CE2-CE1 3.25Å; Y138-F199 HydrophobicContact CE2-CE1 3.25Å; Y138-F199 AromaticContact CE2-CE2 3.9Å; Y138-F199 HydrophobicContact CE2-CE2 3.9Å; Y138-F199 AromaticContact CE2-CG 3.63Å; Y138-F199 HydrophobicContact CE2-CG 3.63Å; Y138-F199 AromaticContact CE2-CZ 3.58Å; Y138-F199 HydrophobicContact CE2-CZ 3.58Å; Y138-F199 HydrophobicContact CG-CB 4.35Å; Y138-F199 AromaticContact CG-CD1 3.94Å; Y138-F199 HydrophobicContact CG-CD1 3.94Å; Y138-F199 HydrophobicContact CG-CG 4.29Å; Y138-F199 AromaticContact CZ-CD1 3.78Å; Y138-F199 AromaticContact CZ-CE1 3.46Å; Y138-F199 VanDerWaalsContact CZ-CE1 3.46Å; Y138-F199 AromaticContact CZ-CZ 3.99Å; L139-F199 PolarHBondContact N-O 3.07Å; F199-N201 HydrophobicContact CE1-CB 3.89Å; F199-Y265 HydrophobicContact CD1-CD1 4.2Å; F199-Y265 AromaticContact CD2-CD1 3.28Å; F199-Y265 HydrophobicContact CD2-CD1 3.28Å; F199-Y265 HydrophobicContact CD2-CD2 4.11Å; F199-Y265 AromaticContact CD2-CE1 3.92Å; F199-Y265 HydrophobicContact CD2-CE1 3.92Å; F199-Y265 AromaticContact CD2-CG 3.4Å; F199-Y265 HydrophobicContact CD2-CG 3.4Å; F199-Y265 VanDerWaalsContact CD2-CG 3.4Å; F199-Y265 HydrophobicContact CE1-CD1 4.07Å; F199-Y265 HydrophobicContact CE1-CE1 4.04Å; F199-Y265 AromaticContact CE2-CD1 3.14Å; F199-Y265 HydrophobicContact CE2-CD1 3.14Å; F199-Y265 AromaticContact CE2-CD2 3.88Å; F199-Y265 HydrophobicContact CE2-CD2 3.88Å; F199-Y265 AromaticContact CE2-CE1 3.25Å; F199-Y265 HydrophobicContact CE2-CE1 3.25Å; F199-Y265 AromaticContact CE2-CE2 3.98Å; F199-Y265 HydrophobicContact CE2-CE2 3.98Å; F199-Y265 AromaticContact CE2-CG 3.49Å; F199-Y265 HydrophobicContact CE2-CG 3.49Å; F199-Y265 VanDerWaalsContact CE2-CG 3.49Å; F199-Y265 AromaticContact CE2-CZ 3.69Å; F199-Y265 AromaticContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CG 4.22Å; F199-Y265 AromaticContact CZ-CD1 3.57Å; F199-Y265 HydrophobicContact CZ-CD1 3.57Å; F199-Y265 AromaticContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CG 4.36Å; F199-Y265 AromaticContact CZ-CZ 3.94Å
200	L	96.9	Very high	85.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.1	176.7	177.6	57.1	0	0	0	110.2	L139 M141 L191 L197 L202 L259 I263 Y265 L266 N267	L139-L200 HydrophobicContact CB-CD1 4.25Å; L139-L200 HydrophobicContact CD2-CD1 4.09Å; L139-L200 HydrophobicContact CG-CD1 4.16Å; L139-L200 WeakPolarHBondContact O-CA 3.33Å; M141-L200 HydrophobicContact CE-CD1 3.88Å; L191-L200 HydrophobicContact CD1-CD2 4.05Å; L197-L200 HydrophobicContact CD2-CB 3.97Å; L197-L200 HydrophobicContact CD2-CD1 4.12Å; L197-L200 HydrophobicContact CD2-CD2 4.14Å; L197-L200 HydrophobicContact CD2-CG 4.29Å; L200-L202 HydrophobicContact CD1-CD2 3.91Å; L200-L202 HydrophobicContact CD1-CG 3.94Å; L200-L202 HydrophobicContact CD2-CD1 3.92Å; L200-L202 HydrophobicContact CD2-CG 4.2Å; L200-L202 HydrophobicContact CG-CD1 4.17Å; L200-L202 HydrophobicContact CG-CD2 4.41Å; L200-L202 HydrophobicContact CG-CG 3.9Å; L200-L259 HydrophobicContact CD2-CD1 4.47Å; L200-L259 HydrophobicContact CD2-CD2 3.62Å; L200-I263 HydrophobicContact CB-CD1 4.1Å; L200-I263 HydrophobicContact CD2-CD1 3.76Å; L200-Y265 PolarHBondContact N-O 3.46Å; L200-L266 HydrophobicContact CB-CD1 4.01Å; L200-L266 HydrophobicContact CD2-CD1 3.9Å; L200-L266 HydrophobicContact CG-CD1 3.93Å; L200-L266 WeakPolarHBondContact O-CA 3.39Å; L200-N267 PolarHBondContact O-N 2.96Å
201	N	97.5	Very high	85.3	Confident	14 Å²	14	28.8 Å²	28.8	8%	0.075	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.4	172.4	-173.2	7.1	0	0	0	110.2	L139 D140 M141 T142 F199 S203 N267	L139-N201 PolarHBondContact O-N 3.5Å; D140-N201 HydrophobicContact CB-CB 4.29Å; D140-N201 PolarHBondContact OD1-ND2 3.14Å; D140-N201 PolarHBondContact OD2-ND2 3.07Å; M141-N201 CarbonylContact C-O 3.58Å; M141-N201 PolarHBondContact N-O 2.77Å; T142-N201 PolarHBondContact OG1-ND2 3.12Å; T142-N201 PolarHBondContact OG1-OD1 2.85Å; T142-N201 VanDerWaalsContact OG1-OD1 3.13Å; F199-N201 HydrophobicContact CE1-CB 3.89Å; N201-S203 WeakPolarHBondContact OD1-CB 3.45Å; N201-S203 PolarHBondContact OD1-N 2.85Å; N201-S203 VanDerWaalsContact OD1-N 3.14Å; N201-S203 PolarHBondContact OD1-OG 3.33Å; N201-N267 HydrophobicContact CB-CB 4.3Å; N201-N267 WeakPolarHBondContact OD1-CB 3.49Å; N201-N267 PolarHBondContact OD1-ND2 3.07Å; N201-N267 VanDerWaalsContact OD1-ND2 3.1Å
202	L	95.4	Very high	85.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.			trans	-121.4	15.3	179.2	-64.1	174.3	0	0	0	111.6	M141 L146 L200 N205 L208 F212 N267 L268 C271	M141-L202 HydrophobicContact CB-CD2 4.24Å; M141-L202 HydrophobicContact CE-CD2 3.37Å; L146-L202 HydrophobicContact CD1-CD2 3.84Å; L200-L202 HydrophobicContact CD1-CD2 3.91Å; L200-L202 HydrophobicContact CD1-CG 3.94Å; L200-L202 HydrophobicContact CD2-CD1 3.92Å; L200-L202 HydrophobicContact CD2-CG 4.2Å; L200-L202 HydrophobicContact CG-CD1 4.17Å; L200-L202 HydrophobicContact CG-CD2 4.41Å; L200-L202 HydrophobicContact CG-CG 3.9Å; L202-N205 PolarHBondContact O-ND2 3.47Å; L202-L208 HydrophobicContact CB-CD1 4.21Å; L202-L208 HydrophobicContact CD1-CD1 4.41Å; L202-F212 HydrophobicContact CD1-CZ 3.79Å; L202-N267 PolarHBondContact N-O 3.25Å; L202-L268 HydrophobicContact CB-CD2 3.98Å; L202-L268 HydrophobicContact CD1-CD2 3.93Å; L202-L268 HydrophobicContact CG-CD2 4.46Å; L202-C271 PolarHBondContact O-SG 3.28Å
203	S	96.6	Very high	84.8	Confident	8 Å²	8	31.3 Å²	31.3	6%	0.056	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	155.4	-172.4	71.3	0	0	0	0	112.9	T142 S143 N201 N205 N267 Q269	T142-S203 CarbonylContact C-O 3.59Å; T142-S203 VanDerWaalsContact CA-O 3.27Å; T142-S203 WeakPolarHBondContact CA-O 3.42Å; T142-S203 VanDerWaalsContact CG2-OG 3.23Å; T142-S203 WeakPolarHBondContact CG2-OG 3.45Å; T142-S203 PolarHBondContact OG1-OG 3.33Å; S143-S203 PolarHBondContact N-O 2.83Å; N201-S203 WeakPolarHBondContact OD1-CB 3.45Å; N201-S203 PolarHBondContact OD1-N 2.85Å; N201-S203 VanDerWaalsContact OD1-N 3.14Å; N201-S203 PolarHBondContact OD1-OG 3.33Å; S203-N205 PolarHBondContact O-N 3.15Å; S203-N205 PolarHBondContact O-ND2 3.36Å; S203-N267 PolarHBondContact N-O 3.5Å; S203-Q269 CarbonylContact C-O 3.15Å; S203-Q269 WeakPolarHBondContact CA-O 3.46Å; S203-Q269 VanDerWaalsContact CB-O 3.31Å; S203-Q269 WeakPolarHBondContact CB-O 3.48Å
204	S	95.4	Very high	84.7	Confident	51 Å²	51	34.1 Å²	34.1	36%	0.357	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	30.8	177.3	-49.7	0	0	0	0	113.8	S143 P206 Q269	S143-S204 WeakPolarHBondContact OG-CB 3.46Å; S204-P206 WeakPolarHBondContact O-CD 3.25Å; S204-Q269 PolarHBondContact N-O 2.95Å
205	N	91.9	Very high	84	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.			trans	-114.5	83.4	170.4	-68.3	-69	0	0	0	109.8	M141 C144 H145 L146 L202 S203 K207 L208	M141-N205 PolarHBondContact O-ND2 3.02Å; C144-N205 PolarHBondContact N-OD1 3.22Å; C144-N205 VanDerWaalsContact N-OD1 3.09Å; H145-N205 PolarHBondContact N-OD1 2.97Å; H145-N205 VanDerWaalsContact N-OD1 3.11Å; L146-N205 HydrophobicContact CB-CB 4.12Å; L146-N205 PolarHBondContact N-OD1 3.16Å; L202-N205 PolarHBondContact O-ND2 3.47Å; S203-N205 PolarHBondContact O-N 3.15Å; S203-N205 PolarHBondContact O-ND2 3.36Å; N205-K207 PolarHBondContact O-N 3.42Å; N205-L208 HydrophobicContact CB-CD1 3.61Å; N205-L208 HydrophobicContact CB-CG 3.85Å; N205-L208 WeakPolarHBondContact O-CB 3.36Å; N205-L208 PolarHBondContact O-N 2.96Å
206	P	87.1	Confident	83.3	Confident	74 Å²	74	37.9 Å²	37.9	48%	0.481	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.4	-169.8	27.2	-35.9	0	0	0	114.4	S204 L208 N272	S204-P206 WeakPolarHBondContact O-CD 3.25Å; P206-L208 VanDerWaalsContact C-N 3.26Å; P206-L208 PolarHBondContact O-N 3.07Å; P206-N272 HydrophobicContact CB-CB 4.28Å
207	K	83.6	Confident	81.8	Confident	113 Å²	113	38.2 Å²	38.2	49%	0.491	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-88.8	12.6	179.6	-52.2	-151.5	-137.6	117.4	0	113.3	N147 S148 N205	N147-K207 HydrophobicContact CB-CB 4.36Å; N147-K207 WeakPolarHBondContact OD1-CB 3.17Å; N147-K207 WeakPolarHBondContact OD1-CD 3.33Å; N147-K207 WeakPolarHBondContact OD1-CE 3.03Å; N147-K207 WeakPolarHBondContact OD1-CG 3.48Å; N147-K207 PolarHBondContact OD1-NZ 2.67Å; S148-K207 PolarHBondContact N-O 3.23Å; S148-K207 PolarHBondContact OG-O 3.09Å; N205-K207 PolarHBondContact O-N 3.42Å
208	L	83.8	Confident	80.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.7	176.6	-64.9	-174.5	0	0	0	114.2	L146 L151 L202 N205 P206 N210 V211 F212	L146-L208 HydrophobicContact CB-CD1 4.26Å; L146-L208 HydrophobicContact CB-CD2 4Å; L146-L208 HydrophobicContact CB-CG 4.31Å; L151-L208 HydrophobicContact CD1-CD1 4.07Å; L151-L208 HydrophobicContact CD1-CD2 3.56Å; L151-L208 HydrophobicContact CD1-CG 4.36Å; L151-L208 HydrophobicContact CG-CD2 3.91Å; L202-L208 HydrophobicContact CB-CD1 4.21Å; L202-L208 HydrophobicContact CD1-CD1 4.41Å; N205-L208 HydrophobicContact CB-CD1 3.61Å; N205-L208 HydrophobicContact CB-CG 3.85Å; N205-L208 WeakPolarHBondContact O-CB 3.36Å; N205-L208 PolarHBondContact O-N 2.96Å; P206-L208 VanDerWaalsContact C-N 3.26Å; P206-L208 PolarHBondContact O-N 3.07Å; L208-N210 VanDerWaalsContact C-N 3.25Å; L208-N210 PolarHBondContact O-N 3.26Å; L208-V211 PolarHBondContact O-N 3.43Å; L208-V211 VanDerWaalsContact O-N 3.08Å; L208-F212 HydrophobicContact CB-CE2 3.95Å; L208-F212 HydrophobicContact CD1-CE2 4.44Å
209	S	76.6	Confident	78.3	Confident	21 Å²	21	40.3 Å²	40.3	15%	0.147	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-46.4	-173.1	61.4	0	0	0	0	114.4	N272	S209-N272 WeakPolarHBondContact CB-O 3.43Å
210	N	71.2	Confident	76.1	Confident	109 Å²	109	40.2 Å²	40.2	58%	0.583	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.1	-170.6	-64.1	-0.7	0	0	0	113.5	L208 F212 N213	L208-N210 VanDerWaalsContact C-N 3.25Å; L208-N210 PolarHBondContact O-N 3.26Å; N210-F212 PolarHBondContact O-N 3.26Å; N210-N213 PolarHBondContact O-N 3.26Å
211	V	71.9	Confident	74.1	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-71.4	-34.6	-173.4	-174.8	0	0	0	0	111.9	S148 L151 I152 L208 N213 I214 I258	S148-V211 VanDerWaalsContact OG-CG2 3.3Å; S148-V211 WeakPolarHBondContact OG-CG2 3.26Å; L151-V211 HydrophobicContact CB-CG1 4.32Å; L151-V211 HydrophobicContact CD1-CG1 4.23Å; I152-V211 HydrophobicContact CD1-CG1 4.04Å; I152-V211 HydrophobicContact CD1-CG2 3.97Å; I152-V211 HydrophobicContact CG1-CG1 3.9Å; I152-V211 HydrophobicContact CG1-CG2 4.35Å; L208-V211 PolarHBondContact O-N 3.43Å; L208-V211 VanDerWaalsContact O-N 3.08Å; V211-N213 PolarHBondContact O-N 3.01Å; V211-I214 WeakPolarHBondContact O-CB 3.31Å; V211-I214 PolarHBondContact O-N 2.82Å; V211-I214 VanDerWaalsContact O-N 3.14Å; V211-I258 HydrophobicContact CB-CD1 4.44Å; V211-I258 HydrophobicContact CG1-CB 4.32Å; V211-I258 HydrophobicContact CG1-CD1 3.18Å; V211-I258 HydrophobicContact CG1-CG1 3.56Å; V211-I258 HydrophobicContact CG1-CG2 4.06Å
212	F	77.2	Confident	71.9	Confident	2 Å²	2	41 Å²	41	1%	0.009	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-75	-3.2	-179.4	-62	-68	0	0	0	113.6	L202 L208 N210 L259 L268 I273 I276 N277 G278 L279	L202-F212 HydrophobicContact CD1-CZ 3.79Å; L208-F212 HydrophobicContact CB-CE2 3.95Å; L208-F212 HydrophobicContact CD1-CE2 4.44Å; N210-F212 PolarHBondContact O-N 3.26Å; F212-L259 HydrophobicContact CE1-CD1 3.93Å; F212-L259 HydrophobicContact CE1-CG 4.3Å; F212-L268 HydrophobicContact CD1-CD1 4.12Å; F212-L268 HydrophobicContact CD2-CD1 4.31Å; F212-L268 HydrophobicContact CE1-CD1 4.03Å; F212-L268 HydrophobicContact CE1-CD2 3.91Å; F212-L268 HydrophobicContact CE2-CD1 4.2Å; F212-L268 HydrophobicContact CE2-CD2 3.76Å; F212-L268 HydrophobicContact CG-CD1 4.27Å; F212-L268 HydrophobicContact CZ-CD1 4.07Å; F212-L268 HydrophobicContact CZ-CD2 3.33Å; F212-L268 HydrophobicContact CZ-CG 4.34Å; F212-I273 HydrophobicContact CD2-CD1 3.54Å; F212-I273 HydrophobicContact CD2-CG1 4.08Å; F212-I273 HydrophobicContact CE2-CD1 3.98Å; F212-I273 HydrophobicContact CG-CD1 4.25Å; F212-I276 CarbonylContact O-C 3.43Å; F212-N277 PolarHBondContact O-N 3.13Å; F212-G278 PolarHBondContact O-N 3.37Å; F212-L279 HydrophobicContact CD1-CD2 4.11Å
213	N	68.5	Low	69.7	Low	57 Å²	57	44.6 Å²	44.6	31%	0.305	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-88.5	-13.2	170.2	-69.3	-18.8	0	0	0	113.4	N210 V211 F275	N210-N213 PolarHBondContact O-N 3.26Å; V211-N213 PolarHBondContact O-N 3.01Å; N213-F275 WeakPolarHBondContact OD1-CB 3.42Å; N213-F275 PolarHBondContact OD1-O 2.83Å
214	I	66.9	Low	67.5	Low	60 Å²	60	44.8 Å²	44.8	31%	0.308	24%	0.236	S	C	.	.			trans	-77.5	130.4	-176.1	-58.9	174	0	0	0	109.8	I152 V211 L216 G278	I152-I214 HydrophobicContact CD1-CD1 3.36Å; I152-I214 HydrophobicContact CG1-CD1 4.34Å; V211-I214 WeakPolarHBondContact O-CB 3.31Å; V211-I214 PolarHBondContact O-N 2.82Å; V211-I214 VanDerWaalsContact O-N 3.14Å; I214-L216 HydrophobicContact CG2-CD2 4.24Å; I214-L216 HydrophobicContact CG2-CG 4.5Å; I214-G278 VanDerWaalsContact O-CA 3.26Å; I214-G278 WeakPolarHBondContact O-CA 3.36Å
215	Q	62.4	Low	65.4	Low	82 Å²	82	42.7 Å²	42.7	38%	0.383	22%	0.221	S	C	.	.			trans	-125.2	119.2	177.8	-179.6	174.4	20.3	0	0	108.4	C255	Q215-C255 HydrophobicContact CG-CB 3.16Å
216	L	60.2	Low	63.3	Low	20 Å²	20	46.4 Å²	46.4	11%	0.105	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-98.9	119.5	-177.6	-59.5	170.3	0	0	0	109.9	I214 E220 W221 I224 C255 Y256	I214-L216 HydrophobicContact CG2-CD2 4.24Å; I214-L216 HydrophobicContact CG2-CG 4.5Å; L216-E220 VanDerWaalsContact CA-OE2 3.23Å; L216-E220 WeakPolarHBondContact CA-OE2 3.26Å; L216-E220 HydrophobicContact CB-CB 4.28Å; L216-W221 HydrophobicContact CD1-CE3 4.21Å; L216-I224 HydrophobicContact CD1-CD1 3.91Å; L216-I224 HydrophobicContact CD2-CD1 4.32Å; L216-C255 CarbonylContact O-C 3.55Å; L216-C255 WeakPolarHBondContact O-CA 3.28Å; L216-C255 WeakPolarHBondContact O-CB 3.25Å; L216-Y256 WeakPolarHBondContact CA-O 3.07Å; L216-Y256 VanDerWaalsContact CB-O 3.27Å; L216-Y256 WeakPolarHBondContact CB-O 3.26Å; L216-Y256 PolarHBondContact N-O 3.12Å; L216-Y256 PolarHBondContact O-N 3.45Å
217	N	54.1	Low	61.4	Low	51 Å²	51	44.5 Å²	44.5	27%	0.273	23%	0.226	S	C	.	.			trans	-63.5	167.6	178.7	70.4	47.6	0	0	0	112.9	N219 E220 W221	N217-N219 PolarHBondContact O-N 2.95Å; N217-N219 WeakPolarHBondContact OD1-CA 3.31Å; N217-N219 WeakPolarHBondContact OD1-CB 3.49Å; N217-N219 PolarHBondContact OD1-N 2.73Å; N217-E220 PolarHBondContact N-OE2 2.99Å; N217-E220 PolarHBondContact ND2-OE1 3.38Å; N217-E220 PolarHBondContact ND2-OE2 2.96Å; N217-E220 PolarHBondContact O-N 2.91Å; N217-E220 WeakPolarHBondContact OD1-CB 3.44Å; N217-E220 WeakPolarHBondContact OD1-CG 3.26Å; N217-E220 PolarHBondContact OD1-N 3.5Å; N217-W221 WeakPolarHBondContact O-CB 3.46Å; N217-W221 PolarHBondContact O-N 3.37Å
218	S	54.6	Low	59.7	Low	31 Å²	31	39.8 Å²	39.8	22%	0.217	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-32.1	-176.9	66.6	0	0	0	0	113.4	S222	S218-S222 WeakPolarHBondContact O-CB 3.44Å; S218-S222 PolarHBondContact O-N 3.18Å
219	N	53.6	Low	57.8	Low	108 Å²	108	42 Å²	42	58%	0.578	22%	0.215	S	C	*	.	H	α-helix	trans	-73.3	-44.3	177.5	-66.1	-21.3	0	0	0	110.9	N217 W223	N217-N219 PolarHBondContact O-N 2.95Å; N217-N219 WeakPolarHBondContact OD1-CA 3.31Å; N217-N219 WeakPolarHBondContact OD1-CB 3.49Å; N217-N219 PolarHBondContact OD1-N 2.73Å; N219-W223 WeakPolarHBondContact O-CA 3.15Å; N219-W223 WeakPolarHBondContact O-CB 3.29Å; N219-W223 PolarHBondContact O-N 3.16Å
220	E	52.9	Low	56.2	Low	42 Å²	42	44.5 Å²	44.5	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-46.8	175.4	-73.4	161.9	-175.6	0	0	111	L174 L216 N217 W223 I224	L174-E220 HydrophobicContact CD1-CB 4.09Å; L174-E220 HydrophobicContact CD1-CG 4.03Å; L216-E220 VanDerWaalsContact CA-OE2 3.23Å; L216-E220 WeakPolarHBondContact CA-OE2 3.26Å; L216-E220 HydrophobicContact CB-CB 4.28Å; N217-E220 PolarHBondContact N-OE2 2.99Å; N217-E220 PolarHBondContact ND2-OE1 3.38Å; N217-E220 PolarHBondContact ND2-OE2 2.96Å; N217-E220 PolarHBondContact O-N 2.91Å; N217-E220 WeakPolarHBondContact OD1-CB 3.44Å; N217-E220 WeakPolarHBondContact OD1-CG 3.26Å; N217-E220 PolarHBondContact OD1-N 3.5Å; E220-W223 PolarHBondContact O-N 3.37Å; E220-I224 VanDerWaalsContact O-CB 3.31Å; E220-I224 WeakPolarHBondContact O-CB 3.3Å; E220-I224 WeakPolarHBondContact O-CD1 3.29Å; E220-I224 WeakPolarHBondContact O-CG1 3.33Å; E220-I224 PolarHBondContact O-N 3.08Å
221	W	54.7	Low	54.7	Low	13 Å²	13	45.5 Å²	45.5	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-53.2	175.9	177.8	-102.2	0	0	0	112.1	L192 L216 N217 W223 I224 Q225 Y256 G257	L192-W221 HydrophobicContact CD1-CE3 4.22Å; L192-W221 HydrophobicContact CD1-CH2 4.21Å; L192-W221 HydrophobicContact CD1-CZ3 3.56Å; L192-W221 HydrophobicContact CD2-CH2 3.3Å; L192-W221 HydrophobicContact CD2-CZ3 3.35Å; L192-W221 HydrophobicContact CG-CH2 4.33Å; L192-W221 HydrophobicContact CG-CZ3 4.08Å; L216-W221 HydrophobicContact CD1-CE3 4.21Å; N217-W221 WeakPolarHBondContact O-CB 3.46Å; N217-W221 PolarHBondContact O-N 3.37Å; W221-W223 VanDerWaalsContact C-N 3.26Å; W221-W223 PolarHBondContact O-N 3.12Å; W221-I224 PolarHBondContact O-N 3.48Å; W221-Q225 HydrophobicContact CD2-CG 4.17Å; W221-Q225 HydrophobicContact CG-CG 4.45Å; W221-Q225 HydrophobicContact CZ2-CG 4.22Å; W221-Q225 WeakPolarHBondContact O-CB 3.33Å; W221-Q225 VanDerWaalsContact O-CG 3.3Å; W221-Q225 WeakPolarHBondContact O-CG 3.46Å; W221-Q225 PolarHBondContact O-N 3.02Å; W221-Y256 HydrophobicContact CB-CD2 3.41Å; W221-Y256 VanDerWaalsContact CB-CD2 3.41Å; W221-Y256 HydrophobicContact CB-CE2 4.15Å; W221-Y256 HydrophobicContact CB-CG 4.04Å; W221-Y256 AromaticContact CD1-CD2 3.42Å; W221-Y256 VanDerWaalsContact CD1-CD2 3.42Å; W221-Y256 AromaticContact CD1-CE2 3.54Å; W221-Y256 AromaticContact CD1-CG 3.83Å; W221-Y256 HydrophobicContact CD2-CD1 4.16Å; W221-Y256 AromaticContact CD2-CD2 3.82Å; W221-Y256 HydrophobicContact CD2-CD2 3.82Å; W221-Y256 AromaticContact CD2-CG 3.56Å; W221-Y256 HydrophobicContact CD2-CG 3.56Å; W221-Y256 AromaticContact CE2-CD1 3.93Å; W221-Y256 AromaticContact CE2-CG 3.83Å; W221-Y256 VanDerWaalsContact CE3-CB 3.47Å; W221-Y256 HydrophobicContact CE3-CG 4.03Å; W221-Y256 HydrophobicContact CG-CD1 4.34Å; W221-Y256 AromaticContact CG-CD2 3.24Å; W221-Y256 HydrophobicContact CG-CD2 3.24Å; W221-Y256 AromaticContact CG-CE2 3.86Å; W221-Y256 HydrophobicContact CG-CE2 3.86Å; W221-Y256 AromaticContact CG-CG 3.54Å; W221-Y256 HydrophobicContact CG-CG 3.54Å; W221-Y256 HydrophobicContact CZ2-CD1 4.27Å; W221-Y256 HydrophobicContact CZ2-CG 4.46Å; W221-Y256 AromaticContact NE1-CG 3.99Å; W221-G257 WeakPolarHBondContact CZ3-O 3.41Å
222	S	51.8	Low	53.3	Low	17 Å²	17	54.5 Å²	54.5	12%	0.119	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-41.2	178.7	-176.5	0	0	0	0	110.7	S218 Q225 N226	S218-S222 WeakPolarHBondContact O-CB 3.44Å; S218-S222 PolarHBondContact O-N 3.18Å; S222-Q225 PolarHBondContact O-N 2.94Å; S222-N226 WeakPolarHBondContact O-CB 3.33Å; S222-N226 PolarHBondContact O-N 3.28Å; S222-N226 PolarHBondContact O-ND2 2.8Å; S222-N226 PolarHBondContact OG-ND2 3.34Å; S222-N226 VanDerWaalsContact OG-ND2 3.12Å
223	W	48.8	Very low	51.3	Low	76 Å²	76	60 Å²	60	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-44.9	176	-175.8	99.5	0	0	0	112.3	L174 N219 E220 W221 N226 N227	L174-W223 HydrophobicContact CB-CE3 4.18Å; L174-W223 HydrophobicContact CB-CH2 4.21Å; L174-W223 HydrophobicContact CB-CZ3 3.81Å; L174-W223 HydrophobicContact CD1-CE3 4.29Å; L174-W223 WeakPolarHBondContact O-CH2 3.5Å; N219-W223 WeakPolarHBondContact O-CA 3.15Å; N219-W223 WeakPolarHBondContact O-CB 3.29Å; N219-W223 PolarHBondContact O-N 3.16Å; E220-W223 PolarHBondContact O-N 3.37Å; W221-W223 VanDerWaalsContact C-N 3.26Å; W221-W223 PolarHBondContact O-N 3.12Å; W223-N226 PolarHBondContact O-N 3.31Å; W223-N227 HydrophobicContact CD2-CB 4.39Å; W223-N227 VanDerWaalsContact CD2-ND2 3.33Å; W223-N227 VanDerWaalsContact CG-ND2 3.3Å; W223-N227 HydrophobicContact CZ2-CB 4.38Å; W223-N227 PolarHBondContact NE1-ND2 2.95Å; W223-N227 VanDerWaalsContact O-CB 3.25Å; W223-N227 WeakPolarHBondContact O-CB 3.4Å; W223-N227 PolarHBondContact O-N 3.27Å; W223-N227 PolarHBondContact O-ND2 3.11Å
224	I	50.9	Low	49.6	Very low	12 Å²	12	64.3 Å²	64.3	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-56	174.2	-74.9	163.5	0	0	0	107.6	L174 Y188 L192 L216 E220 W221 N226 N227 L228	L174-I224 HydrophobicContact CD1-CD1 4.01Å; L174-I224 HydrophobicContact CD1-CG1 4.1Å; Y188-I224 HydrophobicContact CD1-CG2 4.19Å; L192-I224 HydrophobicContact CD1-CG2 4Å; L216-I224 HydrophobicContact CD1-CD1 3.91Å; L216-I224 HydrophobicContact CD2-CD1 4.32Å; E220-I224 VanDerWaalsContact O-CB 3.31Å; E220-I224 WeakPolarHBondContact O-CB 3.3Å; E220-I224 WeakPolarHBondContact O-CD1 3.29Å; E220-I224 WeakPolarHBondContact O-CG1 3.33Å; E220-I224 PolarHBondContact O-N 3.08Å; W221-I224 PolarHBondContact O-N 3.48Å; I224-N226 PolarHBondContact O-N 3.29Å; I224-N227 PolarHBondContact O-N 3.11Å; I224-L228 HydrophobicContact CG2-CD1 3.56Å; I224-L228 HydrophobicContact CG2-CG 3.89Å; I224-L228 WeakPolarHBondContact O-CA 3.43Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 WeakPolarHBondContact O-CD1 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.41Å
225	Q	50.6	Low	48.2	Very low	8 Å²	8	66.5 Å²	66.5	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-41	179.6	-62.8	-56.8	-27.7	0	0	114.1	W221 S222 F240	W221-Q225 HydrophobicContact CD2-CG 4.17Å; W221-Q225 HydrophobicContact CG-CG 4.45Å; W221-Q225 HydrophobicContact CZ2-CG 4.22Å; W221-Q225 WeakPolarHBondContact O-CB 3.33Å; W221-Q225 VanDerWaalsContact O-CG 3.3Å; W221-Q225 WeakPolarHBondContact O-CG 3.46Å; W221-Q225 PolarHBondContact O-N 3.02Å; S222-Q225 PolarHBondContact O-N 2.94Å; Q225-F240 HydrophobicContact CB-CE1 4.11Å; Q225-F240 HydrophobicContact CB-CZ 4.43Å; Q225-F240 HydrophobicContact CG-CE1 4.07Å; Q225-F240 HydrophobicContact CG-CZ 4.21Å
226	N	48.2	Very low	47.1	Very low	78 Å²	78	63.4 Å²	63.4	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-74.9	-33.7	-178.9	-71.3	-26.6	0	0	0	112.7	S222 W223 I224 N230	S222-N226 WeakPolarHBondContact O-CB 3.33Å; S222-N226 PolarHBondContact O-N 3.28Å; S222-N226 PolarHBondContact O-ND2 2.8Å; S222-N226 PolarHBondContact OG-ND2 3.34Å; S222-N226 VanDerWaalsContact OG-ND2 3.12Å; W223-N226 PolarHBondContact O-N 3.31Å; I224-N226 PolarHBondContact O-N 3.29Å; N226-N230 VanDerWaalsContact O-CG 3.22Å; N226-N230 PolarHBondContact O-ND2 3.47Å; N226-N230 VanDerWaalsContact O-ND2 3.07Å; N226-N230 PolarHBondContact O-OD1 3.07Å
227	N	46.8	Very low	46.1	Very low	34 Å²	34	68.6 Å²	68.6	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-92.4	-17.7	-179.7	-71	-74.8	0	0	0	113.6	Y188 W223 I224 Y229 N230	Y188-N227 PolarHBondContact OH-O 3.31Å; W223-N227 HydrophobicContact CD2-CB 4.39Å; W223-N227 VanDerWaalsContact CD2-ND2 3.33Å; W223-N227 VanDerWaalsContact CG-ND2 3.3Å; W223-N227 HydrophobicContact CZ2-CB 4.38Å; W223-N227 PolarHBondContact NE1-ND2 2.95Å; W223-N227 VanDerWaalsContact O-CB 3.25Å; W223-N227 WeakPolarHBondContact O-CB 3.4Å; W223-N227 PolarHBondContact O-N 3.27Å; W223-N227 PolarHBondContact O-ND2 3.11Å; I224-N227 PolarHBondContact O-N 3.11Å; N227-Y229 PolarHBondContact O-N 2.89Å; N227-Y229 VanDerWaalsContact O-N 3.15Å; N227-N230 PolarHBondContact O-N 3.21Å; N227-N230 PolarHBondContact OD1-ND2 3.34Å; N227-N230 VanDerWaalsContact OD1-ND2 3.15Å
228	L	48.3	Very low	45.4	Very low	13 Å²	13	73.9 Å²	73.9	7%	0.068	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-37.8	-179.7	-103.8	173.5	0	0	0	113.2	W131 Y188 I224	W131-L228 HydrophobicContact CH2-CD1 4.31Å; W131-L228 HydrophobicContact CH2-CD2 3.07Å; W131-L228 HydrophobicContact CH2-CG 4.29Å; W131-L228 HydrophobicContact CZ2-CD2 3.44Å; W131-L228 VanDerWaalsContact CZ2-CD2 3.44Å; W131-L228 HydrophobicContact CZ3-CD2 4.11Å; Y188-L228 HydrophobicContact CD1-CD2 3.4Å; Y188-L228 VanDerWaalsContact CD1-CD2 3.4Å; Y188-L228 HydrophobicContact CD1-CG 3.64Å; Y188-L228 HydrophobicContact CD2-CD2 3.6Å; Y188-L228 HydrophobicContact CE1-CB 4.49Å; Y188-L228 HydrophobicContact CE1-CD2 3.98Å; Y188-L228 HydrophobicContact CE1-CG 3.93Å; Y188-L228 HydrophobicContact CE2-CD2 4.15Å; Y188-L228 HydrophobicContact CG-CD2 3.17Å; Y188-L228 HydrophobicContact CG-CG 3.97Å; I224-L228 HydrophobicContact CG2-CD1 3.56Å; I224-L228 HydrophobicContact CG2-CG 3.89Å; I224-L228 WeakPolarHBondContact O-CA 3.43Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 WeakPolarHBondContact O-CD1 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.41Å
229	Y	44.3	Very low	44.6	Very low	48 Å²	48	80.3 Å²	80.3	19%	0.188	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	17.5	-176.8	-62	-78.3	0	0	0	113.7	W131 N227 N231 A236	W131-Y229 AromaticContact CZ2-CE1 3.85Å; W131-Y229 HydrophobicContact CZ2-CE1 3.85Å; W131-Y229 HydrophobicContact CZ2-CE2 4.34Å; W131-Y229 AromaticContact CZ2-CZ 3.61Å; W131-Y229 WeakPolarHBondContact CZ2-OH 3.12Å; W131-Y229 AromaticContact NE1-CE1 3.93Å; N227-Y229 PolarHBondContact O-N 2.89Å; N227-Y229 VanDerWaalsContact O-N 3.15Å; Y229-N231 PolarHBondContact O-N 3Å; Y229-N231 VanDerWaalsContact O-N 3.12Å; Y229-A236 VanDerWaalsContact CB-CB 3.45Å; Y229-A236 HydrophobicContact CD1-CB 4.3Å; Y229-A236 HydrophobicContact CD2-CB 4.15Å; Y229-A236 HydrophobicContact CG-CB 3.72Å
230	N	42.3	Very low	44.1	Very low	72 Å²	72	77.2 Å²	77.2	39%	0.385	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.7	177.5	-86.6	-18.3	0	0	0	114.1	N226 N227 E232	N226-N230 VanDerWaalsContact O-CG 3.22Å; N226-N230 PolarHBondContact O-ND2 3.47Å; N226-N230 VanDerWaalsContact O-ND2 3.07Å; N226-N230 PolarHBondContact O-OD1 3.07Å; N227-N230 PolarHBondContact O-N 3.21Å; N227-N230 PolarHBondContact OD1-ND2 3.34Å; N227-N230 VanDerWaalsContact OD1-ND2 3.15Å; N230-E232 PolarHBondContact O-N 2.79Å
231	N	39	Very low	43.4	Very low	131 Å²	131	80 Å²	80	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	88.8	163.8	-73.7	-4.5	0	0	0	108.9	Y229 N233	Y229-N231 PolarHBondContact O-N 3Å; Y229-N231 VanDerWaalsContact O-N 3.12Å; N231-N233 PolarHBondContact O-N 3.37Å; N231-N233 VanDerWaalsContact O-N 3.12Å
232	E	42.3	Very low	42.9	Very low	190 Å²	190	88.1 Å²	88.1	89%	0.888	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	-3.5	157.6	-60.7	-172.4	166.1	0	0	121.8	N230	N230-E232 PolarHBondContact O-N 2.79Å
233	N	35.6	Very low	42.5	Very low	116 Å²	116	91.2 Å²	91.2	62%	0.62	44%	0.444	S	S	*	.			trans	-102.9	97.6	176.5	-83.8	-35.6	0	0	0	114.5	N231 V235 A236	N231-N233 PolarHBondContact O-N 3.37Å; N231-N233 VanDerWaalsContact O-N 3.12Å; N233-V235 PolarHBondContact O-N 2.97Å; N233-V235 VanDerWaalsContact O-N 3.1Å; N233-A236 PolarHBondContact O-N 2.93Å; N233-A236 VanDerWaalsContact O-N 3.14Å
234	L	33.7	Very low	42.2	Very low	148 Å²	148	89.4 Å²	89.4	78%	0.775	44%	0.44	S	S	*	.	H	α-helix	trans	-50.9	-27.2	170.3	-86.1	157.1	0	0	0	114.2	A236 K237	L234-A236 VanDerWaalsContact C-N 3.28Å; L234-A236 PolarHBondContact O-N 3.45Å; L234-K237 PolarHBondContact O-N 2.86Å
235	V	36.8	Very low	41.7	Very low	107 Å²	107	92.1 Å²	92.1	65%	0.648	45%	0.454	S	S	*	.	H	α-helix	trans	-64.8	-30.9	-179.7	-176.2	0	0	0	0	112.1	N233 Y239	N233-V235 PolarHBondContact O-N 2.97Å; N233-V235 VanDerWaalsContact O-N 3.1Å; V235-Y239 PolarHBondContact O-N 2.85Å
236	A	40	Very low	41.5	Very low	17 Å²	17	96.2 Å²	96.2	14%	0.14	48%	0.476	C	S	.	.	H	α-helix	trans	-72	-35	179.9	0	0	0	0	0	112.8	Y229 N233 L234 Q238 Y239 F240	Y229-A236 VanDerWaalsContact CB-CB 3.45Å; Y229-A236 HydrophobicContact CD1-CB 4.3Å; Y229-A236 HydrophobicContact CD2-CB 4.15Å; Y229-A236 HydrophobicContact CG-CB 3.72Å; N233-A236 PolarHBondContact O-N 2.93Å; N233-A236 VanDerWaalsContact O-N 3.14Å; L234-A236 VanDerWaalsContact C-N 3.28Å; L234-A236 PolarHBondContact O-N 3.45Å; A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.9Å; A236-Y239 PolarHBondContact O-N 2.89Å; A236-F240 PolarHBondContact O-N 3.2Å
237	K	38	Very low	41.4	Very low	129 Å²	129	100 Å²	100	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-61.4	-39.6	176.6	-92.4	-178.9	175.7	174.3	0	112.5	L234 N241	L234-K237 PolarHBondContact O-N 2.86Å; K237-N241 PolarHBondContact O-N 2.87Å
238	Q	39.3	Very low	41	Very low	161 Å²	161	105 Å²	105	75%	0.752	52%	0.523	S	S	*	.	H	α-helix	trans	-72.5	-38.8	-180	-78.2	-173.2	-5.1	0	0	112.9	A236	A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.9Å
239	Y	38	Very low	40.7	Very low	167 Å²	167	110.1 Å²	110.1	66%	0.655	55%	0.551	S	S	*	*	H	α-helix	trans	-71.6	-31.5	-177.9	-125.1	-89.5	0	0	0	113	V235 A236 N243	V235-Y239 PolarHBondContact O-N 2.85Å; A236-Y239 PolarHBondContact O-N 2.89Å; Y239-N243 PolarHBondContact O-ND2 3.45Å; Y239-N243 VanDerWaalsContact O-ND2 3.16Å
240	F	44.1	Very low	40.5	Very low	42 Å²	42	115.5 Å²	115.5	18%	0.184	58%	0.575	C	S	.	*	H	α-helix	trans	-85.8	-39.5	-176.6	-121.8	-74	0	0	0	113.7	Q225 A236 K242 N243 L244	Q225-F240 HydrophobicContact CB-CE1 4.11Å; Q225-F240 HydrophobicContact CB-CZ 4.43Å; Q225-F240 HydrophobicContact CG-CE1 4.07Å; Q225-F240 HydrophobicContact CG-CZ 4.21Å; A236-F240 PolarHBondContact O-N 3.2Å; F240-K242 PolarHBondContact O-N 3.27Å; F240-K242 VanDerWaalsContact O-N 3.09Å; F240-N243 PolarHBondContact O-N 3.46Å; F240-L244 HydrophobicContact CB-CD1 4.44Å; F240-L244 HydrophobicContact CD1-CD1 3.4Å; F240-L244 HydrophobicContact CD1-CG 3.67Å; F240-L244 HydrophobicContact CE1-CD1 4.08Å; F240-L244 HydrophobicContact CE1-CD2 4.46Å; F240-L244 HydrophobicContact CE1-CG 4.02Å; F240-L244 HydrophobicContact CG-CD1 4.36Å; F240-L244 PolarHBondContact O-N 2.99Å
241	N	39	Very low	40.5	Very low	102 Å²	102	116.2 Å²	116.2	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-56.3	-29.2	176.1	-88.9	-11.9	0	0	0	112.7	K237 L245	K237-N241 PolarHBondContact O-N 2.87Å; N241-L245 WeakPolarHBondContact O-CD1 3.43Å
242	K	42.3	Very low	40.8	Very low	182 Å²	182	113.2 Å²	113.2	79%	0.791	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-19.8	-180	-160.8	172.9	-178.8	177.6	0	114.5	F240	F240-K242 PolarHBondContact O-N 3.27Å; F240-K242 VanDerWaalsContact O-N 3.09Å
243	N	43.4	Very low	40.4	Very low	82 Å²	82	108.4 Å²	108.4	44%	0.439	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-2.3	-173.2	-67.9	-59.5	0	0	0	114.5	Y239 F240	Y239-N243 PolarHBondContact O-ND2 3.45Å; Y239-N243 VanDerWaalsContact O-ND2 3.16Å; F240-N243 PolarHBondContact O-N 3.46Å
244	L	42.4	Very low	40.7	Very low	38 Å²	38	105.5 Å²	105.5	20%	0.199	54%	0.538	C	S	.	.	S	Bend	trans	-90.2	-18	-179.4	-95	162.3	0	0	0	114	F240	F240-L244 HydrophobicContact CB-CD1 4.44Å; F240-L244 HydrophobicContact CD1-CD1 3.4Å; F240-L244 HydrophobicContact CD1-CG 3.67Å; F240-L244 HydrophobicContact CE1-CD1 4.08Å; F240-L244 HydrophobicContact CE1-CD2 4.46Å; F240-L244 HydrophobicContact CE1-CG 4.02Å; F240-L244 HydrophobicContact CG-CD1 4.36Å; F240-L244 PolarHBondContact O-N 2.99Å
245	L	42.3	Very low	41.1	Very low	69 Å²	69	100 Å²	100	36%	0.361	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-103.4	123.1	-171.2	-66	160.6	0	0	0	107.4	N241 N249	N241-L245 WeakPolarHBondContact O-CD1 3.43Å; L245-N249 WeakPolarHBondContact CD1-OD1 3.2Å; L245-N249 VanDerWaalsContact CD2-C 3.42Å; L245-N249 HydrophobicContact CD2-CB 4.11Å; L245-N249 VanDerWaalsContact CD2-O 3.32Å; L245-N249 WeakPolarHBondContact CD2-O 3.46Å
246	D	44.7	Very low	41.9	Very low	94 Å²	94	96.7 Å²	96.7	50%	0.503	49%	0.488	S	S	.	.			trans	-62.5	169	159.7	-153.5	-18.8	0	0	0	108.3	D248 N249	D246-D248 PolarHBondContact O-N 2.88Å; D246-N249 PolarHBondContact O-N 2.71Å
247	N	46.1	Very low	42.9	Very low	158 Å²	158	96.3 Å²	96.3	85%	0.845	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-20.3	-174.8	-68.9	-34.5	0	0	0	114.4
248	D	39.7	Very low	44.4	Very low	139 Å²	139	90.5 Å²	90.5	74%	0.743	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	18.3	178.6	-65.4	-29.4	0	0	0	115.5	D246 K250	D246-D248 PolarHBondContact O-N 2.88Å; D248-K250 PolarHBondContact O-N 2.82Å
249	N	41.6	Very low	46.4	Very low	120 Å²	120	83.1 Å²	83.1	64%	0.642	43%	0.427	S	S	*	.	S	Bend	trans	55.4	25.5	175.2	-74.1	-23.5	0	0	0	116	L245 D246	L245-N249 WeakPolarHBondContact CD1-OD1 3.2Å; L245-N249 VanDerWaalsContact CD2-C 3.42Å; L245-N249 HydrophobicContact CD2-CB 4.11Å; L245-N249 VanDerWaalsContact CD2-O 3.32Å; L245-N249 WeakPolarHBondContact CD2-O 3.46Å; D246-N249 PolarHBondContact O-N 2.71Å
250	K	39.6	Very low	48.4	Very low	162 Å²	162	75.5 Å²	75.5	70%	0.704	40%	0.398	S	S	*	.			trans	-104	137	172.5	-71.1	179.3	-178.8	173.7	0	110.8	D248 N252	D248-K250 PolarHBondContact O-N 2.82Å; K250-N252 PolarHBondContact O-N 3.48Å
251	I	42.1	Very low	50	Low	87 Å²	87	76.9 Å²	76.9	45%	0.446	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-60.6	120.6	169.9	-61.9	172	0	0	0	107.2	S253	I251-S253 PolarHBondContact O-N 3.44Å
252	N	46.3	Very low	52.2	Low	67 Å²	67	72.9 Å²	72.9	36%	0.358	38%	0.38	S	S	.	.			trans	-64.2	110.2	-179.9	-142.3	-27	0	0	0	108.8	K250 S254 Y256	K250-N252 PolarHBondContact O-N 3.48Å; N252-S254 PolarHBondContact O-N 3.12Å; N252-Y256 PolarHBondContact O-OH 3.18Å; N252-Y256 VanDerWaalsContact O-OH 3.08Å
253	S	34.1	Very low	54.5	Low	90 Å²	90	64.2 Å²	64.2	63%	0.629	34%	0.342	S	S	*	.			trans	-81.7	98.6	-173.2	54.2	0	0	0	0	110.4	I251	I251-S253 PolarHBondContact O-N 3.44Å
254	S	41.1	Very low	57	Low	54 Å²	54	63.6 Å²	63.6	38%	0.378	34%	0.337	S	S	.	.	S	Bend	trans	166	143.5	144.7	40.3	0	0	0	0	110.1	N252 F281	N252-S254 PolarHBondContact O-N 3.12Å; S254-F281 VanDerWaalsContact C-CZ 3.5Å; S254-F281 WeakPolarHBondContact OG-CE1 3.21Å; S254-F281 WeakPolarHBondContact OG-CZ 3.47Å
255	C	41.4	Very low	59.6	Low	34 Å²	34	64.6 Å²	64.6	23%	0.23	34%	0.338	C	S	.	.			trans	-62.4	125.2	-147.2	-45.6	0	0	0	0	119.1	Q215 L216 F281	Q215-C255 HydrophobicContact CG-CB 3.16Å; L216-C255 CarbonylContact O-C 3.55Å; L216-C255 WeakPolarHBondContact O-CA 3.28Å; L216-C255 WeakPolarHBondContact O-CB 3.25Å; C255-F281 VanDerWaalsContact C-CD2 3.45Å; C255-F281 HydrophobicContact CB-CE2 4.37Å; C255-F281 WeakPolarHBondContact O-CD2 3.41Å; C255-F281 WeakPolarHBondContact O-CE2 3.48Å
256	Y	53.9	Low	62.2	Low	36 Å²	36	61.3 Å²	61.3	14%	0.141	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-74.6	158.3	-179.1	-58.4	-93	0	0	0	115.4	L216 W221 N252	L216-Y256 WeakPolarHBondContact CA-O 3.07Å; L216-Y256 VanDerWaalsContact CB-O 3.27Å; L216-Y256 WeakPolarHBondContact CB-O 3.26Å; L216-Y256 PolarHBondContact N-O 3.12Å; L216-Y256 PolarHBondContact O-N 3.45Å; W221-Y256 HydrophobicContact CB-CD2 3.41Å; W221-Y256 VanDerWaalsContact CB-CD2 3.41Å; W221-Y256 HydrophobicContact CB-CE2 4.15Å; W221-Y256 HydrophobicContact CB-CG 4.04Å; W221-Y256 AromaticContact CD1-CD2 3.42Å; W221-Y256 VanDerWaalsContact CD1-CD2 3.42Å; W221-Y256 AromaticContact CD1-CE2 3.54Å; W221-Y256 AromaticContact CD1-CG 3.83Å; W221-Y256 HydrophobicContact CD2-CD1 4.16Å; W221-Y256 AromaticContact CD2-CD2 3.82Å; W221-Y256 HydrophobicContact CD2-CD2 3.82Å; W221-Y256 AromaticContact CD2-CG 3.56Å; W221-Y256 HydrophobicContact CD2-CG 3.56Å; W221-Y256 AromaticContact CE2-CD1 3.93Å; W221-Y256 AromaticContact CE2-CG 3.83Å; W221-Y256 VanDerWaalsContact CE3-CB 3.47Å; W221-Y256 HydrophobicContact CE3-CG 4.03Å; W221-Y256 HydrophobicContact CG-CD1 4.34Å; W221-Y256 AromaticContact CG-CD2 3.24Å; W221-Y256 HydrophobicContact CG-CD2 3.24Å; W221-Y256 AromaticContact CG-CE2 3.86Å; W221-Y256 HydrophobicContact CG-CE2 3.86Å; W221-Y256 AromaticContact CG-CG 3.54Å; W221-Y256 HydrophobicContact CG-CG 3.54Å; W221-Y256 HydrophobicContact CZ2-CD1 4.27Å; W221-Y256 HydrophobicContact CZ2-CG 4.46Å; W221-Y256 AromaticContact NE1-CG 3.99Å; N252-Y256 PolarHBondContact O-OH 3.18Å; N252-Y256 VanDerWaalsContact O-OH 3.08Å
257	G	61.4	Low	64.7	Low	10 Å²	10	57.3 Å²	57.3	10%	0.103	30%	0.3	C	S	.	.			trans	-90.5	-174.2	170.8	0	0	0	0	0	113.5	W221 L259 G278	W221-G257 WeakPolarHBondContact CZ3-O 3.41Å; G257-L259 PolarHBondContact O-N 3.43Å; G257-G278 WeakPolarHBondContact CA-O 3.42Å
258	I	70.2	Confident	67.1	Low	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.26	C	S	.	.	S	Bend	trans	-76.8	-3.1	174.6	60.3	128.5	0	0	0	114.5	L151 I152 L192 V211	L151-I258 HydrophobicContact CB-CD1 3.91Å; L151-I258 HydrophobicContact CD1-CD1 3.77Å; L151-I258 HydrophobicContact CG-CD1 4.43Å; I152-I258 HydrophobicContact CG1-CG2 4.42Å; L192-I258 WeakPolarHBondContact CD2-O 3.35Å; V211-I258 HydrophobicContact CB-CD1 4.44Å; V211-I258 HydrophobicContact CG1-CB 4.32Å; V211-I258 HydrophobicContact CG1-CD1 3.18Å; V211-I258 HydrophobicContact CG1-CG1 3.56Å; V211-I258 HydrophobicContact CG1-CG2 4.06Å
259	L	81	Confident	69.8	Low	6 Å²	6	45.5 Å²	45.5	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-103.4	147.8	-175.6	-67.7	-174.3	0	0	0	111.5	L191 L200 F212 G257 I263 L266 L279 M282	L191-L259 HydrophobicContact CD1-CD2 3.5Å; L191-L259 VanDerWaalsContact CD1-CD2 3.5Å; L200-L259 HydrophobicContact CD2-CD1 4.47Å; L200-L259 HydrophobicContact CD2-CD2 3.62Å; F212-L259 HydrophobicContact CE1-CD1 3.93Å; F212-L259 HydrophobicContact CE1-CG 4.3Å; G257-L259 PolarHBondContact O-N 3.43Å; L259-I263 HydrophobicContact CB-CD1 3.99Å; L259-I263 HydrophobicContact CD1-CD1 4.24Å; L259-I263 HydrophobicContact CD2-CD1 4.47Å; L259-I263 HydrophobicContact CG-CD1 4.48Å; L259-L266 HydrophobicContact CD1-CD1 3.96Å; L259-L266 HydrophobicContact CD1-CD2 3.58Å; L259-L266 HydrophobicContact CD1-CG 4.45Å; L259-L279 HydrophobicContact CD1-CD2 4.23Å; L259-M282 HydrophobicContact CB-SD 4Å; L259-M282 HydrophobicContact CD1-SD 3.92Å
260	P	79	Confident	72.3	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.039	21%	0.213	C	C	.	.			trans	-55.1	135.7	170.3	-27.9	34.3	0	0	0	113.6	L191 I194 L197 K262 I263	L191-P260 WeakPolarHBondContact O-CG 3.24Å; I194-P260 WeakPolarHBondContact O-CG 3.42Å; L197-P260 HydrophobicContact CB-CG 4.37Å; P260-K262 PolarHBondContact O-N 3.25Å; P260-K262 VanDerWaalsContact O-N 3.17Å; P260-I263 HydrophobicContact CB-CD1 4.47Å; P260-I263 HydrophobicContact CB-CG1 4.34Å; P260-I263 WeakPolarHBondContact O-CG1 3.47Å; P260-I263 PolarHBondContact O-N 3.43Å
261	Y	77.8	Confident	74.8	Confident	72 Å²	72	32.9 Å²	32.9	28%	0.282	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.6	-179.2	71.2	-91.4	0	0	0	114.6
262	K	85	Confident	77.1	Confident	17 Å²	17	32.5 Å²	32.5	7%	0.074	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.6	-179.4	-68.1	-166.2	-171.1	157.3	0	114.5	P195 Q196 L197 P260 E264	P195-K262 VanDerWaalsContact O-CD 3.31Å; P195-K262 WeakPolarHBondContact O-CD 3.41Å; Q196-K262 VanDerWaalsContact CD-NZ 3.26Å; Q196-K262 VanDerWaalsContact NE2-NZ 3.15Å; L197-K262 CarbonylContact O-C 3.59Å; L197-K262 VanDerWaalsContact O-C 3.24Å; P260-K262 PolarHBondContact O-N 3.25Å; P260-K262 VanDerWaalsContact O-N 3.17Å; K262-E264 PolarHBondContact O-N 2.95Å
263	I	91.2	Very high	79.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.			trans	-62.1	128.5	178.9	-66.6	174.7	0	0	0	110	L197 L200 L259 P260 Y265 L266 R284 L285	L197-I263 HydrophobicContact CD2-CD1 4.39Å; L197-I263 PolarHBondContact O-N 2.77Å; L200-I263 HydrophobicContact CB-CD1 4.1Å; L200-I263 HydrophobicContact CD2-CD1 3.76Å; L259-I263 HydrophobicContact CB-CD1 3.99Å; L259-I263 HydrophobicContact CD1-CD1 4.24Å; L259-I263 HydrophobicContact CD2-CD1 4.47Å; L259-I263 HydrophobicContact CG-CD1 4.48Å; P260-I263 HydrophobicContact CB-CD1 4.47Å; P260-I263 HydrophobicContact CB-CG1 4.34Å; P260-I263 WeakPolarHBondContact O-CG1 3.47Å; P260-I263 PolarHBondContact O-N 3.43Å; I263-Y265 VanDerWaalsContact CG2-O 3.3Å; I263-Y265 WeakPolarHBondContact CG2-O 3.43Å; I263-L266 HydrophobicContact CG2-CB 4.03Å; I263-R284 CarbonylContact O-C 3.52Å; I263-L285 HydrophobicContact CG2-CD1 4.08Å; I263-L285 WeakPolarHBondContact O-CA 3.49Å; I263-L285 PolarHBondContact O-N 2.76Å
264	E	95.3	Very high	81.8	Confident	69 Å²	69	27.8 Å²	27.8	32%	0.322	15%	0.15	S	C	.	.	S	Bend	trans	-107	-34	177.3	-67.3	168.8	-163.8	0	0	110.8	R198 K262 R284 N286 I287	R198-E264 WeakPolarHBondContact CD-OE1 3.47Å; R198-E264 IonicContact NE-OE1 2.59Å; R198-E264 IonicContact NH1-OE1 2.67Å; R198-E264 PolarHBondContact O-N 2.8Å; K262-E264 PolarHBondContact O-N 2.95Å; E264-R284 WeakPolarHBondContact CA-O 3.29Å; E264-R284 HydrophobicContact CG-CB 4.48Å; E264-N286 WeakPolarHBondContact O-CA 3.43Å; E264-N286 WeakPolarHBondContact O-CB 3.26Å; E264-N286 PolarHBondContact O-N 3.2Å; E264-I287 PolarHBondContact O-N 3.04Å
265	Y	97.9	Very high	83.9	Confident	59 Å²	59	28.2 Å²	28.2	23%	0.231	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.8	177.2	-179.8	-78	0	0	0	109.9	R198 F199 L200 I263 N267 I287	R198-Y265 PolarHBondContact O-N 3.5Å; F199-Y265 HydrophobicContact CD1-CD1 4.2Å; F199-Y265 AromaticContact CD2-CD1 3.28Å; F199-Y265 HydrophobicContact CD2-CD1 3.28Å; F199-Y265 HydrophobicContact CD2-CD2 4.11Å; F199-Y265 AromaticContact CD2-CE1 3.92Å; F199-Y265 HydrophobicContact CD2-CE1 3.92Å; F199-Y265 AromaticContact CD2-CG 3.4Å; F199-Y265 HydrophobicContact CD2-CG 3.4Å; F199-Y265 VanDerWaalsContact CD2-CG 3.4Å; F199-Y265 HydrophobicContact CE1-CD1 4.07Å; F199-Y265 HydrophobicContact CE1-CE1 4.04Å; F199-Y265 AromaticContact CE2-CD1 3.14Å; F199-Y265 HydrophobicContact CE2-CD1 3.14Å; F199-Y265 AromaticContact CE2-CD2 3.88Å; F199-Y265 HydrophobicContact CE2-CD2 3.88Å; F199-Y265 AromaticContact CE2-CE1 3.25Å; F199-Y265 HydrophobicContact CE2-CE1 3.25Å; F199-Y265 AromaticContact CE2-CE2 3.98Å; F199-Y265 HydrophobicContact CE2-CE2 3.98Å; F199-Y265 AromaticContact CE2-CG 3.49Å; F199-Y265 HydrophobicContact CE2-CG 3.49Å; F199-Y265 VanDerWaalsContact CE2-CG 3.49Å; F199-Y265 AromaticContact CE2-CZ 3.69Å; F199-Y265 AromaticContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CG 4.22Å; F199-Y265 AromaticContact CZ-CD1 3.57Å; F199-Y265 HydrophobicContact CZ-CD1 3.57Å; F199-Y265 AromaticContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CG 4.36Å; F199-Y265 AromaticContact CZ-CZ 3.94Å; L200-Y265 PolarHBondContact N-O 3.46Å; I263-Y265 VanDerWaalsContact CG2-O 3.3Å; I263-Y265 WeakPolarHBondContact CG2-O 3.43Å; Y265-N267 HydrophobicContact CE1-CB 3.71Å; Y265-I287 WeakPolarHBondContact CA-O 3.46Å; Y265-I287 HydrophobicContact CD2-CB 3.66Å; Y265-I287 HydrophobicContact CD2-CD1 4.03Å; Y265-I287 HydrophobicContact CD2-CG1 4.35Å; Y265-I287 HydrophobicContact CD2-CG2 3.62Å; Y265-I287 HydrophobicContact CE2-CB 4.24Å; Y265-I287 HydrophobicContact CE2-CG2 3.65Å; Y265-I287 HydrophobicContact CG-CB 4.42Å
266	L	96.8	Very high	86	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.1	176	-175.2	60.1	0	0	0	110.5	L200 L259 I263 L268 L279 M282 L285 I287 L288 N289	L200-L266 HydrophobicContact CB-CD1 4.01Å; L200-L266 HydrophobicContact CD2-CD1 3.9Å; L200-L266 HydrophobicContact CG-CD1 3.93Å; L200-L266 WeakPolarHBondContact O-CA 3.39Å; L259-L266 HydrophobicContact CD1-CD1 3.96Å; L259-L266 HydrophobicContact CD1-CD2 3.58Å; L259-L266 HydrophobicContact CD1-CG 4.45Å; I263-L266 HydrophobicContact CG2-CB 4.03Å; L266-L268 HydrophobicContact CD1-CD2 3.92Å; L266-L268 HydrophobicContact CD1-CG 4.29Å; L266-L268 HydrophobicContact CD2-CD1 3.91Å; L266-L268 HydrophobicContact CD2-CD2 4.38Å; L266-L268 HydrophobicContact CD2-CG 4.11Å; L266-L268 HydrophobicContact CG-CD1 4.25Å; L266-L268 HydrophobicContact CG-CD2 4.07Å; L266-L268 HydrophobicContact CG-CG 3.88Å; L266-L279 HydrophobicContact CD2-CD1 4.38Å; L266-L279 HydrophobicContact CD2-CD2 4.1Å; L266-M282 HydrophobicContact CD2-CE 3.77Å; L266-L285 HydrophobicContact CB-CD1 3.58Å; L266-I287 PolarHBondContact N-O 3.35Å; L266-L288 HydrophobicContact CB-CD1 4.06Å; L266-L288 HydrophobicContact CD2-CD1 4.06Å; L266-L288 HydrophobicContact CG-CD1 4.12Å; L266-L288 WeakPolarHBondContact O-CA 3.31Å; L266-N289 PolarHBondContact O-N 2.86Å
267	N	97.4	Very high	87.2	Confident	11 Å²	11	27.6 Å²	27.6	6%	0.059	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.1	173.5	-176.6	7.1	0	0	0	110.6	L200 N201 L202 S203 Y265 Q269 N289	L200-N267 PolarHBondContact O-N 2.96Å; N201-N267 HydrophobicContact CB-CB 4.3Å; N201-N267 WeakPolarHBondContact OD1-CB 3.49Å; N201-N267 PolarHBondContact OD1-ND2 3.07Å; N201-N267 VanDerWaalsContact OD1-ND2 3.1Å; L202-N267 PolarHBondContact N-O 3.25Å; S203-N267 PolarHBondContact N-O 3.5Å; Y265-N267 HydrophobicContact CE1-CB 3.71Å; N267-Q269 VanDerWaalsContact OD1-CB 3.26Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.21Å; N267-Q269 PolarHBondContact OD1-N 2.74Å; N267-N289 HydrophobicContact CB-CB 4.3Å; N267-N289 WeakPolarHBondContact OD1-CB 3.39Å; N267-N289 PolarHBondContact OD1-ND2 2.87Å
268	L	95.6	Very high	87.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.			trans	-121.2	26.1	178.9	-57	-179.9	0	0	0	111.2	L202 F212 L266 G270 C271 I273 L279 L288 N289 L290 N293	L202-L268 HydrophobicContact CB-CD2 3.98Å; L202-L268 HydrophobicContact CD1-CD2 3.93Å; L202-L268 HydrophobicContact CG-CD2 4.46Å; F212-L268 HydrophobicContact CD1-CD1 4.12Å; F212-L268 HydrophobicContact CD2-CD1 4.31Å; F212-L268 HydrophobicContact CE1-CD1 4.03Å; F212-L268 HydrophobicContact CE1-CD2 3.91Å; F212-L268 HydrophobicContact CE2-CD1 4.2Å; F212-L268 HydrophobicContact CE2-CD2 3.76Å; F212-L268 HydrophobicContact CG-CD1 4.27Å; F212-L268 HydrophobicContact CZ-CD1 4.07Å; F212-L268 HydrophobicContact CZ-CD2 3.33Å; F212-L268 HydrophobicContact CZ-CG 4.34Å; L266-L268 HydrophobicContact CD1-CD2 3.92Å; L266-L268 HydrophobicContact CD1-CG 4.29Å; L266-L268 HydrophobicContact CD2-CD1 3.91Å; L266-L268 HydrophobicContact CD2-CD2 4.38Å; L266-L268 HydrophobicContact CD2-CG 4.11Å; L266-L268 HydrophobicContact CG-CD1 4.25Å; L266-L268 HydrophobicContact CG-CD2 4.07Å; L266-L268 HydrophobicContact CG-CG 3.88Å; L268-G270 PolarHBondContact O-N 2.91Å; L268-C271 WeakPolarHBondContact O-CB 3.22Å; L268-C271 PolarHBondContact O-N 3.22Å; L268-C271 PolarHBondContact O-SG 2.91Å; L268-I273 HydrophobicContact CB-CD1 3.73Å; L268-I273 HydrophobicContact CD1-CD1 3.73Å; L268-I273 HydrophobicContact CG-CD1 4.24Å; L268-L279 HydrophobicContact CD1-CD1 4.35Å; L268-L288 HydrophobicContact CD1-CD1 4.45Å; L268-N289 CarbonylContact C-O 3.57Å; L268-N289 WeakPolarHBondContact CA-O 3.31Å; L268-N289 PolarHBondContact N-O 3.46Å; L268-L290 HydrophobicContact CB-CD2 4.05Å; L268-L290 HydrophobicContact CD1-CD2 4.11Å; L268-N293 PolarHBondContact O-ND2 2.95Å
269	Q	96.8	Very high	88.6	Confident	49 Å²	49	27.2 Å²	27.2	23%	0.229	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.4	179.2	170.7	178.5	-6.3	0	0	111.1	S203 S204 N267 C271 N289 S291 Q292	S203-Q269 CarbonylContact C-O 3.15Å; S203-Q269 WeakPolarHBondContact CA-O 3.46Å; S203-Q269 VanDerWaalsContact CB-O 3.31Å; S203-Q269 WeakPolarHBondContact CB-O 3.48Å; S204-Q269 PolarHBondContact N-O 2.95Å; N267-Q269 VanDerWaalsContact OD1-CB 3.26Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.21Å; N267-Q269 PolarHBondContact OD1-N 2.74Å; Q269-C271 VanDerWaalsContact C-N 3.31Å; Q269-C271 PolarHBondContact O-N 3.02Å; Q269-N289 PolarHBondContact N-O 3.05Å; Q269-N289 PolarHBondContact OE1-ND2 3.26Å; Q269-S291 CarbonylContact C-O 3.43Å; Q269-S291 WeakPolarHBondContact CA-O 3.41Å; Q269-S291 VanDerWaalsContact CD-OG 3.28Å; Q269-S291 WeakPolarHBondContact CG-O 3.45Å; Q269-S291 VanDerWaalsContact CG-OG 3.26Å; Q269-S291 WeakPolarHBondContact CG-OG 3.15Å; Q269-S291 PolarHBondContact OE1-OG 3.26Å; Q269-Q292 HydrophobicContact CG-CB 4.24Å; Q269-Q292 HydrophobicContact CG-CG 4.45Å; Q269-Q292 VanDerWaalsContact NE2-CD 3.3Å
270	G	95.1	Very high	88.6	Confident	17 Å²	17	28 Å²	28	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	27.7	174.8	0	0	0	0	0	114.6	L268 S291 Q292	L268-G270 PolarHBondContact O-N 2.91Å; G270-S291 PolarHBondContact N-O 2.98Å; G270-Q292 VanDerWaalsContact CA-O 3.23Å; G270-Q292 WeakPolarHBondContact CA-O 3.33Å; G270-Q292 PolarHBondContact N-O 2.87Å
271	C	92.2	Very high	88.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-94.9	5	-180	-72.9	0	0	0	0	113.9	L202 L268 Q269 I273 N293	L202-C271 PolarHBondContact O-SG 3.28Å; L268-C271 WeakPolarHBondContact O-CB 3.22Å; L268-C271 PolarHBondContact O-N 3.22Å; L268-C271 PolarHBondContact O-SG 2.91Å; Q269-C271 VanDerWaalsContact C-N 3.31Å; Q269-C271 PolarHBondContact O-N 3.02Å; C271-I273 VanDerWaalsContact C-N 3.28Å; C271-I273 HydrophobicContact CB-CD1 3.61Å; C271-I273 HydrophobicContact CB-CG1 3.68Å; C271-I273 PolarHBondContact O-N 3.41Å; C271-N293 PolarHBondContact N-OD1 2.99Å
272	N	90.6	Very high	88.6	Confident	79 Å²	79	26.8 Å²	26.8	42%	0.422	14%	0.14	S	C	.	.			trans	58.5	35.6	-177.2	-161	47.8	0	0	0	113.5	P206 S209 N293 Q294	P206-N272 HydrophobicContact CB-CB 4.28Å; S209-N272 WeakPolarHBondContact CB-O 3.43Å; N272-N293 PolarHBondContact N-OD1 2.97Å; N272-Q294 WeakPolarHBondContact OD1-CG 3.29Å
273	I	90.8	Very high	88.5	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.			trans	-83.9	132.9	-176	-61.8	170.8	0	0	0	110.1	F212 L268 C271 F275 I276 L290 N293 Q294 I295	F212-I273 HydrophobicContact CD2-CD1 3.54Å; F212-I273 HydrophobicContact CD2-CG1 4.08Å; F212-I273 HydrophobicContact CE2-CD1 3.98Å; F212-I273 HydrophobicContact CG-CD1 4.25Å; L268-I273 HydrophobicContact CB-CD1 3.73Å; L268-I273 HydrophobicContact CD1-CD1 3.73Å; L268-I273 HydrophobicContact CG-CD1 4.24Å; C271-I273 VanDerWaalsContact C-N 3.28Å; C271-I273 HydrophobicContact CB-CD1 3.61Å; C271-I273 HydrophobicContact CB-CG1 3.68Å; C271-I273 PolarHBondContact O-N 3.41Å; I273-F275 WeakPolarHBondContact CG2-O 3.21Å; I273-I276 HydrophobicContact CG2-CG2 3.57Å; I273-L290 HydrophobicContact CD1-CD2 4.26Å; I273-N293 HydrophobicContact CB-CB 4.41Å; I273-N293 PolarHBondContact N-OD1 3.28Å; I273-N293 WeakPolarHBondContact O-CB 3.44Å; I273-Q294 CarbonylContact O-C 3.53Å; I273-Q294 WeakPolarHBondContact O-CA 3.49Å; I273-Q294 PolarHBondContact O-N 3.2Å; I273-I295 PolarHBondContact O-N 3.33Å
274	S	87.9	Confident	88.4	Confident	57 Å²	57	36.7 Å²	36.7	40%	0.399	18%	0.18	S	C	.	.	S	Bend	trans	-106.9	-24.3	171.6	56.3	0	0	0	0	113.6	Q294	S274-Q294 WeakPolarHBondContact CA-O 3.5Å
275	F	85.5	Confident	88.3	Confident	64 Å²	64	33.4 Å²	33.4	28%	0.281	17%	0.165	S	C	.	.			trans	-148.2	152.1	-173.8	-151.8	-75.3	0	0	0	109.8	N213 I273 N277 Q299 G300 P303	N213-F275 WeakPolarHBondContact OD1-CB 3.42Å; N213-F275 PolarHBondContact OD1-O 2.83Å; I273-F275 WeakPolarHBondContact CG2-O 3.21Å; F275-N277 HydrophobicContact CD1-CB 4.29Å; F275-N277 HydrophobicContact CE1-CB 4.33Å; F275-N277 WeakPolarHBondContact CE1-ND2 3.31Å; F275-N277 WeakPolarHBondContact CE1-OD1 3.36Å; F275-Q299 WeakPolarHBondContact CZ-O 3.22Å; F275-G300 VanDerWaalsContact CD2-CA 3.5Å; F275-G300 VanDerWaalsContact CE2-CA 3.49Å; F275-P303 HydrophobicContact CE1-CG 4.14Å
276	I	85.7	Confident	88.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.			trans	-136.4	44.5	-170.9	50.8	154.7	0	0	0	114.4	F212 I273 G278 L279 L290 G300 L301 P303 L304	F212-I276 CarbonylContact O-C 3.43Å; I273-I276 HydrophobicContact CG2-CG2 3.57Å; I276-G278 PolarHBondContact O-N 3.32Å; I276-G278 VanDerWaalsContact O-N 3.17Å; I276-L279 HydrophobicContact CB-CD1 3.97Å; I276-L279 HydrophobicContact CB-CG 4.1Å; I276-L279 HydrophobicContact CD1-CD1 4.14Å; I276-L279 HydrophobicContact CG2-CD1 4.12Å; I276-L279 PolarHBondContact O-N 2.79Å; I276-L290 HydrophobicContact CD1-CD1 4.16Å; I276-L290 HydrophobicContact CG2-CD2 4.18Å; I276-G300 WeakPolarHBondContact CG1-O 3.13Å; I276-L301 HydrophobicContact CD1-CD2 3.94Å; I276-L301 HydrophobicContact CG1-CD2 4.49Å; I276-P303 WeakPolarHBondContact O-CB 3.1Å; I276-L304 HydrophobicContact CD1-CD1 3.59Å; I276-L304 HydrophobicContact CD1-CD2 3.47Å; I276-L304 VanDerWaalsContact CD1-CD2 3.47Å; I276-L304 HydrophobicContact CD1-CG 3.35Å
277	N	78.8	Confident	88.3	Confident	57 Å²	57	35.8 Å²	35.8	31%	0.305	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-53.5	-36.6	-179.1	-92.5	-29.5	0	0	0	114.2	F212 F275 L279 T280	F212-N277 PolarHBondContact O-N 3.13Å; F275-N277 HydrophobicContact CD1-CB 4.29Å; F275-N277 HydrophobicContact CE1-CB 4.33Å; F275-N277 WeakPolarHBondContact CE1-ND2 3.31Å; F275-N277 WeakPolarHBondContact CE1-OD1 3.36Å; N277-L279 PolarHBondContact O-N 2.85Å; N277-L279 VanDerWaalsContact O-N 3.14Å; N277-T280 PolarHBondContact O-N 2.95Å; N277-T280 PolarHBondContact O-OG1 3.5Å
278	G	74.7	Confident	88.3	Confident	6 Å²	6	35.3 Å²	35.3	6%	0.062	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-69	-8.5	-176.2	0	0	0	0	0	115.2	F212 I214 G257 I276	F212-G278 PolarHBondContact O-N 3.37Å; I214-G278 VanDerWaalsContact O-CA 3.26Å; I214-G278 WeakPolarHBondContact O-CA 3.36Å; G257-G278 WeakPolarHBondContact CA-O 3.42Å; I276-G278 PolarHBondContact O-N 3.32Å; I276-G278 VanDerWaalsContact O-N 3.17Å
279	L	85.6	Confident	88.4	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-91.8	-6.8	-177.2	-54.1	-168.3	0	0	0	113.9	F212 L259 L266 L268 I276 N277 F281 M282 L288 L304	F212-L279 HydrophobicContact CD1-CD2 4.11Å; L259-L279 HydrophobicContact CD1-CD2 4.23Å; L266-L279 HydrophobicContact CD2-CD1 4.38Å; L266-L279 HydrophobicContact CD2-CD2 4.1Å; L268-L279 HydrophobicContact CD1-CD1 4.35Å; I276-L279 HydrophobicContact CB-CD1 3.97Å; I276-L279 HydrophobicContact CB-CG 4.1Å; I276-L279 HydrophobicContact CD1-CD1 4.14Å; I276-L279 HydrophobicContact CG2-CD1 4.12Å; I276-L279 PolarHBondContact O-N 2.79Å; N277-L279 PolarHBondContact O-N 2.85Å; N277-L279 VanDerWaalsContact O-N 3.14Å; L279-F281 PolarHBondContact O-N 2.79Å; L279-M282 HydrophobicContact CB-CE 3.81Å; L279-M282 HydrophobicContact CD1-CE 4.2Å; L279-M282 HydrophobicContact CD2-CE 3.43Å; L279-M282 VanDerWaalsContact CD2-CE 3.43Å; L279-M282 HydrophobicContact CD2-SD 3.97Å; L279-M282 HydrophobicContact CG-CE 3.96Å; L279-M282 PolarHBondContact O-N 2.91Å; L279-L288 HydrophobicContact CD1-CD1 4.31Å; L279-L288 HydrophobicContact CD1-CD2 4.08Å; L279-L304 HydrophobicContact CB-CD2 4.27Å; L279-L304 HydrophobicContact CD1-CD2 4.41Å
280	T	81.6	Confident	88.4	Confident	24 Å²	24	33.8 Å²	33.8	15%	0.147	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-29.2	-170.2	-53.5	0	0	0	0	115.4	N277 P303 S306 L307	N277-T280 PolarHBondContact O-N 2.95Å; N277-T280 PolarHBondContact O-OG1 3.5Å; T280-P303 WeakPolarHBondContact CA-O 2.83Å; T280-P303 WeakPolarHBondContact OG1-CB 3.47Å; T280-S306 PolarHBondContact O-OG 2.84Å; T280-L307 WeakPolarHBondContact O-CD2 3.36Å
281	F	74.1	Confident	88.5	Confident	44 Å²	44	33.2 Å²	33.2	19%	0.193	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	8.7	-172.9	-58.7	-78	0	0	0	114.7	S254 C255 L279 K283	S254-F281 VanDerWaalsContact C-CZ 3.5Å; S254-F281 WeakPolarHBondContact OG-CE1 3.21Å; S254-F281 WeakPolarHBondContact OG-CZ 3.47Å; C255-F281 VanDerWaalsContact C-CD2 3.45Å; C255-F281 HydrophobicContact CB-CE2 4.37Å; C255-F281 WeakPolarHBondContact O-CD2 3.41Å; C255-F281 WeakPolarHBondContact O-CE2 3.48Å; L279-F281 PolarHBondContact O-N 2.79Å; F281-K283 PolarHBondContact O-N 3.1Å
282	M	82.6	Confident	88.7	Confident	7 Å²	7	37.7 Å²	37.7	3%	0.034	19%	0.186	C	C	.	.			trans	-77.6	63.7	175.5	-58.9	-167.1	-44.4	0	0	110.6	L259 L266 L279 R284 L285 L307	L259-M282 HydrophobicContact CB-SD 4Å; L259-M282 HydrophobicContact CD1-SD 3.92Å; L266-M282 HydrophobicContact CD2-CE 3.77Å; L279-M282 HydrophobicContact CB-CE 3.81Å; L279-M282 HydrophobicContact CD1-CE 4.2Å; L279-M282 HydrophobicContact CD2-CE 3.43Å; L279-M282 VanDerWaalsContact CD2-CE 3.43Å; L279-M282 HydrophobicContact CD2-SD 3.97Å; L279-M282 HydrophobicContact CG-CE 3.96Å; L279-M282 PolarHBondContact O-N 2.91Å; M282-R284 PolarHBondContact O-N 3.1Å; M282-L285 HydrophobicContact CB-CB 4.05Å; M282-L285 HydrophobicContact CE-CB 4.39Å; M282-L285 HydrophobicContact CE-CD1 4.11Å; M282-L285 HydrophobicContact CE-CD2 3.6Å; M282-L285 HydrophobicContact CE-CG 4.24Å; M282-L285 WeakPolarHBondContact O-CB 3.33Å; M282-L285 PolarHBondContact O-N 3.28Å; M282-L307 WeakPolarHBondContact O-CD2 3.38Å
283	K	83.4	Confident	88.9	Confident	107 Å²	107	34 Å²	34	47%	0.465	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17	-172.4	-67.4	-176.2	-179.9	176.4	0	114.5	F281 C309	F281-K283 PolarHBondContact O-N 3.1Å; K283-C309 VanDerWaalsContact O-CB 3.24Å; K283-C309 WeakPolarHBondContact O-CB 3.45Å; K283-C309 PolarHBondContact O-SG 3.04Å
284	R	88.7	Confident	89	Confident	118 Å²	118	38.5 Å²	38.5	45%	0.445	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.7	175.8	-70.7	-175.5	168.8	-165.9	-0.2	113.9	I263 E264 M282 N286	I263-R284 CarbonylContact O-C 3.52Å; E264-R284 WeakPolarHBondContact CA-O 3.29Å; E264-R284 HydrophobicContact CG-CB 4.48Å; M282-R284 PolarHBondContact O-N 3.1Å; R284-N286 PolarHBondContact O-N 3.49Å; R284-N286 VanDerWaalsContact O-N 3.17Å
285	L	93.4	Very high	89.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.			trans	-61.3	119.9	-179.8	-171.6	71.5	0	0	0	109.5	I263 L266 M282 L288 L307 C309 L310	I263-L285 HydrophobicContact CG2-CD1 4.08Å; I263-L285 WeakPolarHBondContact O-CA 3.49Å; I263-L285 PolarHBondContact O-N 2.76Å; L266-L285 HydrophobicContact CB-CD1 3.58Å; M282-L285 HydrophobicContact CB-CB 4.05Å; M282-L285 HydrophobicContact CE-CB 4.39Å; M282-L285 HydrophobicContact CE-CD1 4.11Å; M282-L285 HydrophobicContact CE-CD2 3.6Å; M282-L285 HydrophobicContact CE-CG 4.24Å; M282-L285 WeakPolarHBondContact O-CB 3.33Å; M282-L285 PolarHBondContact O-N 3.28Å; L285-L288 HydrophobicContact CD2-CB 4Å; L285-L288 HydrophobicContact CD2-CD1 4.35Å; L285-L288 HydrophobicContact CD2-CD2 4.01Å; L285-L288 HydrophobicContact CD2-CG 4.35Å; L285-L307 HydrophobicContact CB-CD1 4.44Å; L285-L307 HydrophobicContact CD2-CD1 3.9Å; L285-C309 CarbonylContact O-C 3.6Å; L285-L310 HydrophobicContact CD2-CD1 4.13Å; L285-L310 HydrophobicContact CG-CD1 4.19Å; L285-L310 WeakPolarHBondContact O-CA 3.34Å; L285-L310 PolarHBondContact O-N 3.06Å; L285-L310 VanDerWaalsContact O-N 3.11Å
286	N	95.6	Very high	89.5	Confident	56 Å²	56	38.1 Å²	38.1	30%	0.299	18%	0.183	S	C	.	.			trans	-110	-40.9	-176.3	-177	14.7	0	0	0	111.4	E264 R284 C309 H311 N312	E264-N286 WeakPolarHBondContact O-CA 3.43Å; E264-N286 WeakPolarHBondContact O-CB 3.26Å; E264-N286 PolarHBondContact O-N 3.2Å; R284-N286 PolarHBondContact O-N 3.49Å; R284-N286 VanDerWaalsContact O-N 3.17Å; N286-C309 WeakPolarHBondContact CA-O 3.31Å; N286-C309 PolarHBondContact OD1-O 2.97Å; N286-H311 PolarHBondContact O-N 3.24Å; N286-H311 WeakPolarHBondContact OD1-CB 3.3Å; N286-H311 PolarHBondContact OD1-ND1 2.89Å; N286-N312 PolarHBondContact O-N 3.26Å
287	I	97.8	Very high	89.6	Confident	53 Å²	53	40.3 Å²	40.3	27%	0.272	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.9	-178.2	-52.8	-176.5	0	0	0	108.9	E264 Y265 L266 N312	E264-I287 PolarHBondContact O-N 3.04Å; Y265-I287 WeakPolarHBondContact CA-O 3.46Å; Y265-I287 HydrophobicContact CD2-CB 3.66Å; Y265-I287 HydrophobicContact CD2-CD1 4.03Å; Y265-I287 HydrophobicContact CD2-CG1 4.35Å; Y265-I287 HydrophobicContact CD2-CG2 3.62Å; Y265-I287 HydrophobicContact CE2-CB 4.24Å; Y265-I287 HydrophobicContact CE2-CG2 3.65Å; Y265-I287 HydrophobicContact CG-CB 4.42Å; L266-I287 PolarHBondContact N-O 3.35Å; I287-N312 WeakPolarHBondContact CA-O 3.37Å; I287-N312 HydrophobicContact CB-CB 4.3Å; I287-N312 HydrophobicContact CG1-CB 4.04Å; I287-N312 HydrophobicContact CG2-CB 4.05Å
288	L	97.2	Very high	89.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.7	176.9	179.8	57.5	0	0	0	110.2	L266 L268 L279 L285 L290 L304 L310 N312 L313 N314	L266-L288 HydrophobicContact CB-CD1 4.06Å; L266-L288 HydrophobicContact CD2-CD1 4.06Å; L266-L288 HydrophobicContact CG-CD1 4.12Å; L266-L288 WeakPolarHBondContact O-CA 3.31Å; L268-L288 HydrophobicContact CD1-CD1 4.45Å; L279-L288 HydrophobicContact CD1-CD1 4.31Å; L279-L288 HydrophobicContact CD1-CD2 4.08Å; L285-L288 HydrophobicContact CD2-CB 4Å; L285-L288 HydrophobicContact CD2-CD1 4.35Å; L285-L288 HydrophobicContact CD2-CD2 4.01Å; L285-L288 HydrophobicContact CD2-CG 4.35Å; L288-L290 HydrophobicContact CD1-CG 4.13Å; L288-L290 HydrophobicContact CD2-CD1 3.67Å; L288-L290 HydrophobicContact CD2-CG 4.15Å; L288-L290 HydrophobicContact CG-CD1 3.98Å; L288-L290 HydrophobicContact CG-CG 3.92Å; L288-L304 HydrophobicContact CD2-CD1 3.84Å; L288-L304 HydrophobicContact CD2-CD2 3.65Å; L288-L304 HydrophobicContact CD2-CG 4.43Å; L288-L310 HydrophobicContact CB-CD1 3.8Å; L288-N312 PolarHBondContact N-O 2.87Å; L288-L313 HydrophobicContact CB-CD1 4.1Å; L288-L313 HydrophobicContact CD2-CD1 4.01Å; L288-L313 HydrophobicContact CG-CD1 4.02Å; L288-L313 WeakPolarHBondContact O-CA 3.36Å; L288-N314 PolarHBondContact O-N 2.8Å
289	N	97.7	Very high	90.5	Very high	18 Å²	18	44.8 Å²	44.8	10%	0.096	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114	171.5	-175.8	2.8	0	0	0	109.8	L266 N267 L268 Q269 S291 N314	L266-N289 PolarHBondContact O-N 2.86Å; N267-N289 HydrophobicContact CB-CB 4.3Å; N267-N289 WeakPolarHBondContact OD1-CB 3.39Å; N267-N289 PolarHBondContact OD1-ND2 2.87Å; L268-N289 CarbonylContact C-O 3.57Å; L268-N289 WeakPolarHBondContact CA-O 3.31Å; L268-N289 PolarHBondContact N-O 3.46Å; Q269-N289 PolarHBondContact N-O 3.05Å; Q269-N289 PolarHBondContact OE1-ND2 3.26Å; N289-S291 WeakPolarHBondContact OD1-CB 3.37Å; N289-S291 PolarHBondContact OD1-N 2.99Å; N289-S291 PolarHBondContact OD1-OG 3.33Å; N289-N314 HydrophobicContact CB-CB 4.47Å
290	L	96.7	Very high	90.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.			trans	-117.3	16.6	176.8	-78.3	169.2	0	0	0	111.5	L268 I273 I276 L288 N293 I295 L301 L313 N314 L315 N318	L268-L290 HydrophobicContact CB-CD2 4.05Å; L268-L290 HydrophobicContact CD1-CD2 4.11Å; I273-L290 HydrophobicContact CD1-CD2 4.26Å; I276-L290 HydrophobicContact CD1-CD1 4.16Å; I276-L290 HydrophobicContact CG2-CD2 4.18Å; L288-L290 HydrophobicContact CD1-CG 4.13Å; L288-L290 HydrophobicContact CD2-CD1 3.67Å; L288-L290 HydrophobicContact CD2-CG 4.15Å; L288-L290 HydrophobicContact CG-CD1 3.98Å; L288-L290 HydrophobicContact CG-CG 3.92Å; L290-N293 VanDerWaalsContact C-ND2 3.3Å; L290-N293 WeakPolarHBondContact O-CB 3.45Å; L290-N293 PolarHBondContact O-ND2 3.04Å; L290-I295 HydrophobicContact CB-CD1 4.13Å; L290-I295 HydrophobicContact CD1-CD1 3.98Å; L290-I295 HydrophobicContact CD2-CD1 4.38Å; L290-I295 HydrophobicContact CG-CD1 4.41Å; L290-L301 HydrophobicContact CD1-CD2 3.99Å; L290-L313 HydrophobicContact CD1-CD1 4.15Å; L290-N314 CarbonylContact C-O 3.59Å; L290-N314 VanDerWaalsContact C-O 3.27Å; L290-N314 VanDerWaalsContact CA-O 3.29Å; L290-N314 WeakPolarHBondContact CA-O 3.42Å; L290-N314 WeakPolarHBondContact CB-O 3.43Å; L290-N314 PolarHBondContact N-O 2.93Å; L290-L315 HydrophobicContact CB-CD2 3.94Å; L290-L315 HydrophobicContact CD1-CD2 4.19Å; L290-N318 PolarHBondContact O-ND2 3.23Å
291	S	97	Very high	90.8	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.035	21%	0.205	C	C	.	.			trans	-60.6	156.2	179.4	59.9	0	0	0	0	112.7	Q269 G270 N289 N293 N314 K316	Q269-S291 CarbonylContact C-O 3.43Å; Q269-S291 WeakPolarHBondContact CA-O 3.41Å; Q269-S291 VanDerWaalsContact CD-OG 3.28Å; Q269-S291 WeakPolarHBondContact CG-O 3.45Å; Q269-S291 VanDerWaalsContact CG-OG 3.26Å; Q269-S291 WeakPolarHBondContact CG-OG 3.15Å; Q269-S291 PolarHBondContact OE1-OG 3.26Å; G270-S291 PolarHBondContact N-O 2.98Å; N289-S291 WeakPolarHBondContact OD1-CB 3.37Å; N289-S291 PolarHBondContact OD1-N 2.99Å; N289-S291 PolarHBondContact OD1-OG 3.33Å; S291-N293 VanDerWaalsContact C-N 3.31Å; S291-N293 PolarHBondContact O-N 2.8Å; S291-N293 PolarHBondContact O-ND2 3.29Å; S291-N314 PolarHBondContact N-O 3.18Å; S291-N314 VanDerWaalsContact N-O 3.15Å; S291-K316 CarbonylContact C-O 3.59Å; S291-K316 WeakPolarHBondContact CA-O 3.5Å; S291-K316 WeakPolarHBondContact CB-O 3.4Å
292	Q	96.5	Very high	91.5	Very high	94 Å²	94	44.5 Å²	44.5	44%	0.439	21%	0.21	S	C	.	.	S	Bend	trans	55.9	41.9	179.3	-58.3	174.3	-12	0	0	113.3	Q269 G270 K316 N317	Q269-Q292 HydrophobicContact CG-CB 4.24Å; Q269-Q292 HydrophobicContact CG-CG 4.45Å; Q269-Q292 VanDerWaalsContact NE2-CD 3.3Å; G270-Q292 VanDerWaalsContact CA-O 3.23Å; G270-Q292 WeakPolarHBondContact CA-O 3.33Å; G270-Q292 PolarHBondContact N-O 2.87Å; Q292-K316 PolarHBondContact N-O 2.88Å; Q292-N317 WeakPolarHBondContact CA-O 3.31Å; Q292-N317 HydrophobicContact CG-CB 3.91Å
293	N	95.4	Very high	91.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-115.7	-171.4	175.4	-81.1	-55.8	0	0	0	110.6	L268 C271 N272 I273 L290 S291 I295 N318	L268-N293 PolarHBondContact O-ND2 2.95Å; C271-N293 PolarHBondContact N-OD1 2.99Å; N272-N293 PolarHBondContact N-OD1 2.97Å; I273-N293 HydrophobicContact CB-CB 4.41Å; I273-N293 PolarHBondContact N-OD1 3.28Å; I273-N293 WeakPolarHBondContact O-CB 3.44Å; L290-N293 VanDerWaalsContact C-ND2 3.3Å; L290-N293 WeakPolarHBondContact O-CB 3.45Å; L290-N293 PolarHBondContact O-ND2 3.04Å; S291-N293 VanDerWaalsContact C-N 3.31Å; S291-N293 PolarHBondContact O-N 2.8Å; S291-N293 PolarHBondContact O-ND2 3.29Å; N293-I295 HydrophobicContact CB-CG1 4.48Å; N293-N318 VanDerWaalsContact CA-OD1 3.27Å; N293-N318 WeakPolarHBondContact CA-OD1 3.47Å; N293-N318 WeakPolarHBondContact CB-OD1 3.34Å; N293-N318 PolarHBondContact N-OD1 2.93Å; N293-N318 PolarHBondContact O-OD1 3.44Å; N293-N318 VanDerWaalsContact O-OD1 3.11Å
294	Q	93.1	Very high	92	Very high	95 Å²	95	39.7 Å²	39.7	44%	0.444	19%	0.19	S	C	.	.			trans	-114.2	36.3	-175.9	-60.3	-58.7	-39.3	0	0	111.6	N272 I273 S274 I296 N318	N272-Q294 WeakPolarHBondContact OD1-CG 3.29Å; I273-Q294 CarbonylContact O-C 3.53Å; I273-Q294 WeakPolarHBondContact O-CA 3.49Å; I273-Q294 PolarHBondContact O-N 3.2Å; S274-Q294 WeakPolarHBondContact CA-O 3.5Å; Q294-I296 PolarHBondContact O-N 2.77Å; Q294-N318 PolarHBondContact N-OD1 3.03Å
295	I	93	Very high	92	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.195	C	C	.	.			trans	-74.8	112.2	178.6	-60.1	169.6	0	0	0	108.6	I273 L290 N293 L301 L315 N318 P319 I320	I273-I295 PolarHBondContact O-N 3.33Å; L290-I295 HydrophobicContact CB-CD1 4.13Å; L290-I295 HydrophobicContact CD1-CD1 3.98Å; L290-I295 HydrophobicContact CD2-CD1 4.38Å; L290-I295 HydrophobicContact CG-CD1 4.41Å; N293-I295 HydrophobicContact CB-CG1 4.48Å; I295-L301 HydrophobicContact CD1-CD2 3.94Å; I295-L301 HydrophobicContact CG2-CD1 4.33Å; I295-L301 HydrophobicContact CG2-CD2 4.4Å; I295-L301 HydrophobicContact CG2-CG 4.08Å; I295-L315 HydrophobicContact CD1-CD2 4.01Å; I295-N318 HydrophobicContact CB-CB 4.31Å; I295-N318 WeakPolarHBondContact CB-OD1 3.04Å; I295-N318 WeakPolarHBondContact CG1-OD1 3.38Å; I295-N318 PolarHBondContact N-OD1 2.8Å; I295-P319 WeakPolarHBondContact O-CD 3.41Å; I295-I320 HydrophobicContact CG2-CG2 4.45Å; I295-I320 WeakPolarHBondContact O-CB 3.38Å; I295-I320 PolarHBondContact O-N 3.36Å
296	I	90.4	Very high	91.6	Very high	112 Å²	112	42.9 Å²	42.9	57%	0.574	22%	0.215	S	C	*	.			trans	-83.7	-42.5	-173.6	-57.7	174.1	0	0	0	111.1	Q294 Q323	Q294-I296 PolarHBondContact O-N 2.77Å; I296-Q323 PolarHBondContact O-NE2 2.89Å
297	D	87.5	Confident	91.3	Very high	47 Å²	47	40.4 Å²	40.4	25%	0.251	20%	0.201	S	C	.	.	S	Bend	trans	-142.1	169.5	-172.9	72.2	0.5	0	0	0	113.3	Q299 G300 I320	D297-Q299 PolarHBondContact O-N 2.86Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.49Å; D297-Q299 PolarHBondContact OD1-N 2.87Å; D297-G300 PolarHBondContact O-N 3.34Å; D297-G300 PolarHBondContact OD1-N 2.93Å; D297-I320 VanDerWaalsContact C-CD1 3.5Å
298	H	85.6	Confident	90.8	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.199	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.1	-21.4	176.7	67	-61.7	0	0	0	113.7	G300 L301 M302 I320 R329 I330 H333	H298-G300 VanDerWaalsContact C-N 3.29Å; H298-G300 PolarHBondContact O-N 2.97Å; H298-L301 PolarHBondContact O-N 3.49Å; H298-M302 HydrophobicContact CB-CE 4.08Å; H298-M302 VanDerWaalsContact CD2-CE 3.45Å; H298-M302 WeakPolarHBondContact CD2-CE 3.45Å; H298-M302 WeakPolarHBondContact O-CE 3.45Å; H298-M302 PolarHBondContact O-N 3.43Å; H298-I320 HydrophobicContact CB-CD1 4.43Å; H298-R329 HydrophobicContact CB-CG 4.13Å; H298-I330 HydrophobicContact CB-CD1 4.32Å; H298-H333 AromaticContact CD2-CD2 3.88Å; H298-H333 AromaticContact CD2-NE2 3.39Å; H298-H333 PolarHBondContact CD2-NE2 2.92Å
299	Q	86.6	Confident	90.5	Very high	114 Å²	114	43.4 Å²	43.4	53%	0.533	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.5	-39.7	178.2	-63.4	-172.8	-5.4	0	0	110.8	F275 D297 L301 M302	F275-Q299 WeakPolarHBondContact CZ-O 3.22Å; D297-Q299 PolarHBondContact O-N 2.86Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.49Å; D297-Q299 PolarHBondContact OD1-N 2.87Å; Q299-L301 PolarHBondContact O-N 3.42Å; Q299-M302 WeakPolarHBondContact O-CB 3.42Å; Q299-M302 PolarHBondContact O-N 3.39Å; Q299-M302 VanDerWaalsContact O-N 3.11Å
300	G	84.5	Confident	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-55.1	-24.3	172.5	0	0	0	0	0	114.5	F275 I276 D297 H298	F275-G300 VanDerWaalsContact CD2-CA 3.5Å; F275-G300 VanDerWaalsContact CE2-CA 3.49Å; I276-G300 WeakPolarHBondContact CG1-O 3.13Å; D297-G300 PolarHBondContact O-N 3.34Å; D297-G300 PolarHBondContact OD1-N 2.93Å; H298-G300 VanDerWaalsContact C-N 3.29Å; H298-G300 PolarHBondContact O-N 2.97Å
301	L	90.6	Very high	90.4	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-102.9	-5.4	-177.6	-62.9	172.7	0	0	0	114	I276 L290 I295 H298 Q299 P303 L304 L315 I320 I330	I276-L301 HydrophobicContact CD1-CD2 3.94Å; I276-L301 HydrophobicContact CG1-CD2 4.49Å; L290-L301 HydrophobicContact CD1-CD2 3.99Å; I295-L301 HydrophobicContact CD1-CD2 3.94Å; I295-L301 HydrophobicContact CG2-CD1 4.33Å; I295-L301 HydrophobicContact CG2-CD2 4.4Å; I295-L301 HydrophobicContact CG2-CG 4.08Å; H298-L301 PolarHBondContact O-N 3.49Å; Q299-L301 PolarHBondContact O-N 3.42Å; L301-P303 VanDerWaalsContact C-N 3.26Å; L301-L304 HydrophobicContact CD2-CD1 3.87Å; L301-L304 WeakPolarHBondContact O-CB 3.46Å; L301-L304 PolarHBondContact O-N 3.44Å; L301-L315 HydrophobicContact CD1-CD1 3.57Å; L301-L315 HydrophobicContact CD1-CD2 3.95Å; L301-L315 HydrophobicContact CD1-CG 4.44Å; L301-L315 HydrophobicContact CD2-CD2 3.95Å; L301-I320 HydrophobicContact CD1-CD1 3.9Å; L301-I330 HydrophobicContact CD1-CD1 3.57Å
302	M	88.6	Confident	90.4	Very high	62 Å²	62	46.9 Å²	46.9	31%	0.305	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-52.9	-35.7	177.2	-69.7	-64.8	125.7	0	0	114.3	H298 Q299 L304 K305 H333	H298-M302 HydrophobicContact CB-CE 4.08Å; H298-M302 VanDerWaalsContact CD2-CE 3.45Å; H298-M302 WeakPolarHBondContact CD2-CE 3.45Å; H298-M302 WeakPolarHBondContact O-CE 3.45Å; H298-M302 PolarHBondContact O-N 3.43Å; Q299-M302 WeakPolarHBondContact O-CB 3.42Å; Q299-M302 PolarHBondContact O-N 3.39Å; Q299-M302 VanDerWaalsContact O-N 3.11Å; M302-L304 PolarHBondContact O-N 3.41Å; M302-L304 VanDerWaalsContact O-N 3.07Å; M302-K305 VanDerWaalsContact O-CB 3.23Å; M302-K305 WeakPolarHBondContact O-CB 3.49Å; M302-K305 PolarHBondContact O-N 3Å; M302-H333 HydrophobicContact CE-CB 4.09Å
303	P	85.7	Confident	90.5	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.065	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-50.9	-28.6	171.3	-34.2	41.2	0	0	0	114.7	F275 I276 T280 L301 K305 S306	F275-P303 HydrophobicContact CE1-CG 4.14Å; I276-P303 WeakPolarHBondContact O-CB 3.1Å; T280-P303 WeakPolarHBondContact CA-O 2.83Å; T280-P303 WeakPolarHBondContact OG1-CB 3.47Å; L301-P303 VanDerWaalsContact C-N 3.26Å; P303-K305 VanDerWaalsContact C-N 3.3Å; P303-K305 PolarHBondContact O-N 3.44Å; P303-S306 PolarHBondContact O-OG 3.03Å; P303-S306 VanDerWaalsContact O-OG 3.12Å
304	L	91.2	Very high	90.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-77.6	-13.8	-179.3	-56.7	178.3	0	0	0	113.4	I276 L279 L288 L301 M302 S306 L307 L310 L313 L334	I276-L304 HydrophobicContact CD1-CD1 3.59Å; I276-L304 HydrophobicContact CD1-CD2 3.47Å; I276-L304 VanDerWaalsContact CD1-CD2 3.47Å; I276-L304 HydrophobicContact CD1-CG 3.35Å; L279-L304 HydrophobicContact CB-CD2 4.27Å; L279-L304 HydrophobicContact CD1-CD2 4.41Å; L288-L304 HydrophobicContact CD2-CD1 3.84Å; L288-L304 HydrophobicContact CD2-CD2 3.65Å; L288-L304 HydrophobicContact CD2-CG 4.43Å; L301-L304 HydrophobicContact CD2-CD1 3.87Å; L301-L304 WeakPolarHBondContact O-CB 3.46Å; L301-L304 PolarHBondContact O-N 3.44Å; M302-L304 PolarHBondContact O-N 3.41Å; M302-L304 VanDerWaalsContact O-N 3.07Å; L304-S306 PolarHBondContact O-N 3.01Å; L304-L307 HydrophobicContact CB-CD1 4.4Å; L304-L307 HydrophobicContact CD2-CD1 3.54Å; L304-L307 WeakPolarHBondContact O-CB 3.32Å; L304-L307 PolarHBondContact O-N 2.83Å; L304-L310 HydrophobicContact CB-CD2 4.03Å; L304-L310 HydrophobicContact CD1-CD2 4.11Å; L304-L310 HydrophobicContact CD2-CD2 4.31Å; L304-L310 HydrophobicContact CG-CD2 4.38Å; L304-L313 HydrophobicContact CD1-CD1 4.25Å; L304-L313 HydrophobicContact CD1-CD2 4.26Å; L304-L334 HydrophobicContact CB-CD1 4.08Å; L304-L334 HydrophobicContact CB-CD2 3.74Å; L304-L334 HydrophobicContact CD1-CD1 4.21Å
305	K	88.1	Confident	90.7	Very high	127 Å²	127	39.2 Å²	39.2	55%	0.552	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-61	-31.4	-176.2	-176	176.7	179.9	-173.9	0	112.8	M302 P303 L307 L334	M302-K305 VanDerWaalsContact O-CB 3.23Å; M302-K305 WeakPolarHBondContact O-CB 3.49Å; M302-K305 PolarHBondContact O-N 3Å; P303-K305 VanDerWaalsContact C-N 3.3Å; P303-K305 PolarHBondContact O-N 3.44Å; K305-L307 VanDerWaalsContact C-N 3.29Å; K305-L307 PolarHBondContact O-N 3.29Å; K305-L334 HydrophobicContact CB-CD2 4.22Å
306	S	84.4	Confident	90.9	Very high	59 Å²	59	43 Å²	43	41%	0.413	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-76.8	-10.6	177.6	50	0	0	0	0	114	T280 P303 L304 S308	T280-S306 PolarHBondContact O-OG 2.84Å; P303-S306 PolarHBondContact O-OG 3.03Å; P303-S306 VanDerWaalsContact O-OG 3.12Å; L304-S306 PolarHBondContact O-N 3.01Å; S306-S308 PolarHBondContact O-N 2.83Å
307	L	89.5	Confident	91.1	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.226	C	C	.	.			trans	-84.6	94.9	-173.6	-56.8	-174.7	0	0	0	111.1	T280 M282 L285 L304 K305 C309 L310	T280-L307 WeakPolarHBondContact O-CD2 3.36Å; M282-L307 WeakPolarHBondContact O-CD2 3.38Å; L285-L307 HydrophobicContact CB-CD1 4.44Å; L285-L307 HydrophobicContact CD2-CD1 3.9Å; L304-L307 HydrophobicContact CB-CD1 4.4Å; L304-L307 HydrophobicContact CD2-CD1 3.54Å; L304-L307 WeakPolarHBondContact O-CB 3.32Å; L304-L307 PolarHBondContact O-N 2.83Å; K305-L307 VanDerWaalsContact C-N 3.29Å; K305-L307 PolarHBondContact O-N 3.29Å; L307-C309 VanDerWaalsContact C-N 3.31Å; L307-C309 PolarHBondContact O-N 2.87Å; L307-L310 HydrophobicContact CB-CB 3.86Å; L307-L310 HydrophobicContact CD1-CD2 4.4Å; L307-L310 PolarHBondContact O-N 3.27Å
308	S	87.4	Confident	91.5	Very high	69 Å²	69	41.1 Å²	41.1	48%	0.483	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.2	-178.2	54.8	0	0	0	0	114.5	S306 N336	S306-S308 PolarHBondContact O-N 2.83Å; S308-N336 WeakPolarHBondContact CA-ND2 3.37Å
309	C	91.5	Very high	91.9	Very high	49 Å²	49	41.1 Å²	41.1	33%	0.331	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.2	-179.4	-60.6	0	0	0	0	114.2	K283 L285 N286 L307 H311	K283-C309 VanDerWaalsContact O-CB 3.24Å; K283-C309 WeakPolarHBondContact O-CB 3.45Å; K283-C309 PolarHBondContact O-SG 3.04Å; L285-C309 CarbonylContact O-C 3.6Å; N286-C309 WeakPolarHBondContact CA-O 3.31Å; N286-C309 PolarHBondContact OD1-O 2.97Å; L307-C309 VanDerWaalsContact C-N 3.31Å; L307-C309 PolarHBondContact O-N 2.87Å; C309-H311 PolarHBondContact O-CE1 3.37Å; C309-H311 PolarHBondContact O-N 3.47Å; C309-H311 VanDerWaalsContact O-N 3.07Å; C309-H311 PolarHBondContact O-ND1 3.14Å; C309-H311 VanDerWaalsContact O-ND1 3.14Å
310	L	95.9	Very high	92.2	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	20%	0.195	C	C	.	.			trans	-72.5	104.8	-175.9	-177.3	67.5	0	0	0	109.9	L285 L288 L304 L307 N336 L337	L285-L310 HydrophobicContact CD2-CD1 4.13Å; L285-L310 HydrophobicContact CG-CD1 4.19Å; L285-L310 WeakPolarHBondContact O-CA 3.34Å; L285-L310 PolarHBondContact O-N 3.06Å; L285-L310 VanDerWaalsContact O-N 3.11Å; L288-L310 HydrophobicContact CB-CD1 3.8Å; L304-L310 HydrophobicContact CB-CD2 4.03Å; L304-L310 HydrophobicContact CD1-CD2 4.11Å; L304-L310 HydrophobicContact CD2-CD2 4.31Å; L304-L310 HydrophobicContact CG-CD2 4.38Å; L307-L310 HydrophobicContact CB-CB 3.86Å; L307-L310 HydrophobicContact CD1-CD2 4.4Å; L307-L310 PolarHBondContact O-N 3.27Å; L310-N336 CarbonylContact O-C 3.35Å; L310-L337 HydrophobicContact CD2-CD2 4.21Å; L310-L337 HydrophobicContact CG-CD2 3.94Å
311	H	95.9	Very high	92.6	Very high	48 Å²	48	37.6 Å²	37.6	22%	0.222	21%	0.207	C	C	.	.			trans	-104.4	-34.7	-179.2	-60.8	124.6	0	0	0	112.9	N286 C309 N336 L337 K338 I339	N286-H311 PolarHBondContact O-N 3.24Å; N286-H311 WeakPolarHBondContact OD1-CB 3.3Å; N286-H311 PolarHBondContact OD1-ND1 2.89Å; C309-H311 PolarHBondContact O-CE1 3.37Å; C309-H311 PolarHBondContact O-N 3.47Å; C309-H311 VanDerWaalsContact O-N 3.07Å; C309-H311 PolarHBondContact O-ND1 3.14Å; C309-H311 VanDerWaalsContact O-ND1 3.14Å; H311-N336 PolarHBondContact CD2-O 3.43Å; H311-L337 CarbonylContact O-C 3.58Å; H311-K338 HydrophobicContact CB-CB 4.19Å; H311-K338 HydrophobicContact CB-CD 3.99Å; H311-K338 HydrophobicContact CB-CG 4.12Å; H311-K338 WeakPolarHBondContact CD2-CE 3.43Å; H311-K338 PolarHBondContact CD2-NZ 3.1Å; H311-K338 PolarHBondContact NE2-NZ 2.98Å; H311-K338 PolarHBondContact O-N 3.43Å; H311-I339 PolarHBondContact O-N 3.42Å
312	N	97.6	Very high	92.5	Very high	44 Å²	44	44.2 Å²	44.2	24%	0.235	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.9	-177	-67.7	1.2	0	0	0	110.3	N286 I287 L288 I339	N286-N312 PolarHBondContact O-N 3.26Å; I287-N312 WeakPolarHBondContact CA-O 3.37Å; I287-N312 HydrophobicContact CB-CB 4.3Å; I287-N312 HydrophobicContact CG1-CB 4.04Å; I287-N312 HydrophobicContact CG2-CB 4.05Å; L288-N312 PolarHBondContact N-O 2.87Å; N312-I339 WeakPolarHBondContact CA-O 3.46Å; N312-I339 HydrophobicContact CB-CB 4.4Å; N312-I339 VanDerWaalsContact OD1-CB 3.3Å; N312-I339 WeakPolarHBondContact OD1-CB 3.29Å; N312-I339 WeakPolarHBondContact OD1-CD1 3.39Å; N312-I339 VanDerWaalsContact OD1-CG1 3.28Å; N312-I339 WeakPolarHBondContact OD1-CG1 3.24Å
313	L	97.5	Very high	92.4	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.7	176	178.2	62.3	0	0	0	109.8	L288 L290 L304 L315 I330 L334 L337 I339 L340 D341	L288-L313 HydrophobicContact CB-CD1 4.1Å; L288-L313 HydrophobicContact CD2-CD1 4.01Å; L288-L313 HydrophobicContact CG-CD1 4.02Å; L288-L313 WeakPolarHBondContact O-CA 3.36Å; L290-L313 HydrophobicContact CD1-CD1 4.15Å; L304-L313 HydrophobicContact CD1-CD1 4.25Å; L304-L313 HydrophobicContact CD1-CD2 4.26Å; L313-L315 HydrophobicContact CD1-CD2 4.23Å; L313-L315 HydrophobicContact CD1-CG 4.32Å; L313-L315 HydrophobicContact CD2-CD1 3.86Å; L313-L315 HydrophobicContact CD2-CD2 4.45Å; L313-L315 HydrophobicContact CD2-CG 4.08Å; L313-L315 HydrophobicContact CG-CD1 4.28Å; L313-L315 HydrophobicContact CG-CD2 4.38Å; L313-L315 HydrophobicContact CG-CG 3.96Å; L313-I330 HydrophobicContact CD2-CG2 4.23Å; L313-L334 HydrophobicContact CD2-CD1 3.68Å; L313-L337 HydrophobicContact CB-CD1 4.13Å; L313-L337 HydrophobicContact CB-CD2 3.56Å; L313-L337 HydrophobicContact CD2-CD1 3.97Å; L313-I339 PolarHBondContact N-O 2.64Å; L313-L340 HydrophobicContact CB-CD1 4.22Å; L313-L340 HydrophobicContact CD2-CD1 4.18Å; L313-L340 HydrophobicContact CG-CD1 4.15Å; L313-L340 CarbonylContact O-C 3.57Å; L313-L340 VanDerWaalsContact O-CA 3.26Å; L313-L340 WeakPolarHBondContact O-CA 3.27Å; L313-D341 PolarHBondContact O-N 3.15Å
314	N	97.2	Very high	92.2	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.4	172.5	-171.7	-9.1	0	0	0	109.5	L288 N289 L290 S291 K316 D341	L288-N314 PolarHBondContact O-N 2.8Å; N289-N314 HydrophobicContact CB-CB 4.47Å; L290-N314 CarbonylContact C-O 3.59Å; L290-N314 VanDerWaalsContact C-O 3.27Å; L290-N314 VanDerWaalsContact CA-O 3.29Å; L290-N314 WeakPolarHBondContact CA-O 3.42Å; L290-N314 WeakPolarHBondContact CB-O 3.43Å; L290-N314 PolarHBondContact N-O 2.93Å; S291-N314 PolarHBondContact N-O 3.18Å; S291-N314 VanDerWaalsContact N-O 3.15Å; N314-K316 WeakPolarHBondContact OD1-CB 3.26Å; N314-K316 WeakPolarHBondContact OD1-CG 3.41Å; N314-K316 PolarHBondContact OD1-N 2.66Å; N314-K316 VanDerWaalsContact OD1-N 3.09Å; N314-D341 PolarHBondContact OD1-OD1 3.01Å
315	L	96.6	Very high	91.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.			trans	-117.8	2.8	179.5	-65.7	171.5	0	0	0	112.3	L290 I295 L301 L313 N318 C321 Y326 I330 L340 D341	L290-L315 HydrophobicContact CB-CD2 3.94Å; L290-L315 HydrophobicContact CD1-CD2 4.19Å; I295-L315 HydrophobicContact CD1-CD2 4.01Å; L301-L315 HydrophobicContact CD1-CD1 3.57Å; L301-L315 HydrophobicContact CD1-CD2 3.95Å; L301-L315 HydrophobicContact CD1-CG 4.44Å; L301-L315 HydrophobicContact CD2-CD2 3.95Å; L313-L315 HydrophobicContact CD1-CD2 4.23Å; L313-L315 HydrophobicContact CD1-CG 4.32Å; L313-L315 HydrophobicContact CD2-CD1 3.86Å; L313-L315 HydrophobicContact CD2-CD2 4.45Å; L313-L315 HydrophobicContact CD2-CG 4.08Å; L313-L315 HydrophobicContact CG-CD1 4.28Å; L313-L315 HydrophobicContact CG-CD2 4.38Å; L313-L315 HydrophobicContact CG-CG 3.96Å; L315-N318 VanDerWaalsContact O-CB 3.32Å; L315-N318 WeakPolarHBondContact O-CB 3.33Å; L315-N318 PolarHBondContact O-N 3.34Å; L315-N318 PolarHBondContact O-ND2 3.11Å; L315-C321 PolarHBondContact O-SG 3.29Å; L315-Y326 HydrophobicContact CD1-CE2 3.87Å; L315-I330 HydrophobicContact CD1-CD1 4.46Å; L315-I330 HydrophobicContact CD1-CG1 4.13Å; L315-I330 HydrophobicContact CD1-CG2 4.39Å; L315-L340 HydrophobicContact CD1-CD1 4.13Å; L315-D341 WeakPolarHBondContact CA-OD1 3.23Å; L315-D341 PolarHBondContact N-OD1 3.4Å
316	K	96.3	Very high	91.9	Very high	81 Å²	81	48.2 Å²	48.2	35%	0.352	27%	0.267	S	S	.	.			trans	-46.8	142.7	-179.7	-72.7	-178.8	176.4	166.8	0	112.5	S291 Q292 N314 N318 D341 D342	S291-K316 CarbonylContact C-O 3.59Å; S291-K316 WeakPolarHBondContact CA-O 3.5Å; S291-K316 WeakPolarHBondContact CB-O 3.4Å; Q292-K316 PolarHBondContact N-O 2.88Å; N314-K316 WeakPolarHBondContact OD1-CB 3.26Å; N314-K316 WeakPolarHBondContact OD1-CG 3.41Å; N314-K316 PolarHBondContact OD1-N 2.66Å; N314-K316 VanDerWaalsContact OD1-N 3.09Å; K316-N318 VanDerWaalsContact C-N 3.31Å; K316-N318 PolarHBondContact O-N 2.93Å; K316-D341 HydrophobicContact CD-CB 4.41Å; K316-D341 WeakPolarHBondContact CE-O 3.26Å; K316-D341 HydrophobicContact CG-CB 3.82Å; K316-D341 PolarHBondContact N-OD1 3.44Å; K316-D341 VanDerWaalsContact N-OD1 3.12Å; K316-D341 PolarHBondContact NZ-O 3.01Å; K316-D341 VanDerWaalsContact NZ-O 3.14Å; K316-D342 IonicContact NZ-OD2 2.85Å; K316-D342 PolarHBondContact NZ-OD2 2.78Å
317	N	95.2	Very high	92.1	Very high	113 Å²	113	46.4 Å²	46.4	60%	0.604	25%	0.252	S	S	*	.	S	Bend	trans	59.4	39.6	-178.7	-50	-42	0	0	0	113.1	Q292	Q292-N317 WeakPolarHBondContact CA-O 3.31Å; Q292-N317 HydrophobicContact CG-CB 3.91Å
318	N	95.7	Very high	92.1	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.027	26%	0.261	C	S	.	.	S	Bend	trans	-113.2	151.1	163.5	-79.6	-94.8	0	0	0	109.3	L290 N293 Q294 I295 L315 K316 I320 C321	L290-N318 PolarHBondContact O-ND2 3.23Å; N293-N318 VanDerWaalsContact CA-OD1 3.27Å; N293-N318 WeakPolarHBondContact CA-OD1 3.47Å; N293-N318 WeakPolarHBondContact CB-OD1 3.34Å; N293-N318 PolarHBondContact N-OD1 2.93Å; N293-N318 PolarHBondContact O-OD1 3.44Å; N293-N318 VanDerWaalsContact O-OD1 3.11Å; Q294-N318 PolarHBondContact N-OD1 3.03Å; I295-N318 HydrophobicContact CB-CB 4.31Å; I295-N318 WeakPolarHBondContact CB-OD1 3.04Å; I295-N318 WeakPolarHBondContact CG1-OD1 3.38Å; I295-N318 PolarHBondContact N-OD1 2.8Å; L315-N318 VanDerWaalsContact O-CB 3.32Å; L315-N318 WeakPolarHBondContact O-CB 3.33Å; L315-N318 PolarHBondContact O-N 3.34Å; L315-N318 PolarHBondContact O-ND2 3.11Å; K316-N318 VanDerWaalsContact C-N 3.31Å; K316-N318 PolarHBondContact O-N 2.93Å; N318-I320 HydrophobicContact CB-CG2 3.85Å; N318-I320 PolarHBondContact O-N 3.17Å; N318-I320 VanDerWaalsContact O-N 3.08Å; N318-C321 VanDerWaalsContact O-CB 3.28Å; N318-C321 WeakPolarHBondContact O-CB 3.5Å; N318-C321 PolarHBondContact O-N 3.24Å
319	P	94.2	Very high	92.2	Very high	44 Å²	44	48 Å²	48	29%	0.286	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-55.6	-27.5	177.1	-23.8	30.4	0	0	0	114.4	I295 C321 D322	I295-P319 WeakPolarHBondContact O-CD 3.41Å; P319-C321 PolarHBondContact O-N 2.76Å; P319-D322 PolarHBondContact O-N 2.75Å
320	I	93.5	Very high	92.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-60	-29.3	174.6	-162.5	177.4	0	0	0	113.2	I295 D297 H298 L301 N318 D322 Q323 Y326 I330	I295-I320 HydrophobicContact CG2-CG2 4.45Å; I295-I320 WeakPolarHBondContact O-CB 3.38Å; I295-I320 PolarHBondContact O-N 3.36Å; D297-I320 VanDerWaalsContact C-CD1 3.5Å; H298-I320 HydrophobicContact CB-CD1 4.43Å; L301-I320 HydrophobicContact CD1-CD1 3.9Å; N318-I320 HydrophobicContact CB-CG2 3.85Å; N318-I320 PolarHBondContact O-N 3.17Å; N318-I320 VanDerWaalsContact O-N 3.08Å; I320-D322 PolarHBondContact O-N 3.48Å; I320-Q323 WeakPolarHBondContact O-CB 3.49Å; I320-Q323 PolarHBondContact O-N 2.86Å; I320-Q323 VanDerWaalsContact O-N 3.15Å; I320-Y326 HydrophobicContact CD1-CD2 4.42Å; I320-Y326 HydrophobicContact CG1-CD2 4.12Å; I320-Y326 HydrophobicContact CG2-CD2 4.37Å; I320-Y326 HydrophobicContact CG2-CE2 4.4Å; I320-Y326 WeakPolarHBondContact O-CB 3.26Å; I320-I330 HydrophobicContact CD1-CD1 3.86Å
321	C	91.4	Very high	92	Very high	38 Å²	38	45.8 Å²	45.8	26%	0.257	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-64.6	-25.8	-179.9	-67.7	0	0	0	0	112.8	L315 N318 P319 Q323	L315-C321 PolarHBondContact O-SG 3.29Å; N318-C321 VanDerWaalsContact O-CB 3.28Å; N318-C321 WeakPolarHBondContact O-CB 3.5Å; N318-C321 PolarHBondContact O-N 3.24Å; P319-C321 PolarHBondContact O-N 2.76Å; C321-Q323 VanDerWaalsContact C-N 3.26Å; C321-Q323 PolarHBondContact O-N 3.44Å
322	D	89.3	Confident	91.7	Very high	142 Å²	142	44.6 Å²	44.6	76%	0.759	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-80.9	-7.6	179.6	-58.5	-38.7	0	0	0	112.5	P319 I320	P319-D322 PolarHBondContact O-N 2.75Å; I320-D322 PolarHBondContact O-N 3.48Å
323	Q	86.2	Confident	91.4	Very high	60 Å²	60	44 Å²	44	28%	0.28	22%	0.224	S	C	.	.	S	Bend	trans	-77.3	139.5	179.8	-62.3	-173.2	-10.6	0	0	112	I296 I320 C321 N325 Y326	I296-Q323 PolarHBondContact O-NE2 2.89Å; I320-Q323 WeakPolarHBondContact O-CB 3.49Å; I320-Q323 PolarHBondContact O-N 2.86Å; I320-Q323 VanDerWaalsContact O-N 3.15Å; C321-Q323 VanDerWaalsContact C-N 3.26Å; C321-Q323 PolarHBondContact O-N 3.44Å; Q323-N325 PolarHBondContact O-N 2.85Å; Q323-Y326 VanDerWaalsContact O-CB 3.28Å; Q323-Y326 WeakPolarHBondContact O-CB 3.32Å; Q323-Y326 PolarHBondContact O-N 3.41Å; Q323-Y326 VanDerWaalsContact O-N 3.17Å
324	N	80.9	Confident	91.1	Very high	143 Å²	143	44.3 Å²	44.3	77%	0.765	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	132.9	172.3	-72.3	-7.7	0	0	0	111.1	Y326	N324-Y326 PolarHBondContact O-N 3.46Å
325	N	83.3	Confident	90.8	Very high	60 Å²	60	49 Å²	49	32%	0.321	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	25.8	179.9	-58.4	-34.4	0	0	0	114.4	Q323 F327 Q328 R329 Y356	Q323-N325 PolarHBondContact O-N 2.85Å; N325-F327 VanDerWaalsContact C-N 3.29Å; N325-F327 PolarHBondContact O-N 3.23Å; N325-Q328 HydrophobicContact CB-CB 4.48Å; N325-Q328 PolarHBondContact O-N 3.17Å; N325-R329 WeakPolarHBondContact O-CB 3.33Å; N325-R329 PolarHBondContact O-N 3.45Å; N325-Y356 VanDerWaalsContact ND2-CE2 3.35Å; N325-Y356 WeakPolarHBondContact ND2-CE2 3.45Å; N325-Y356 PolarHBondContact ND2-OH 3.43Å; N325-Y356 VanDerWaalsContact ND2-OH 3.1Å
326	Y	89.8	Confident	90.5	Very high	22 Å²	22	52.4 Å²	52.4	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-47.1	-51.8	173.3	138.3	-108.5	0	0	0	111.8	L315 I320 Q323 N324 Q328 R329 I330 D341	L315-Y326 HydrophobicContact CD1-CE2 3.87Å; I320-Y326 HydrophobicContact CD1-CD2 4.42Å; I320-Y326 HydrophobicContact CG1-CD2 4.12Å; I320-Y326 HydrophobicContact CG2-CD2 4.37Å; I320-Y326 HydrophobicContact CG2-CE2 4.4Å; I320-Y326 WeakPolarHBondContact O-CB 3.26Å; Q323-Y326 VanDerWaalsContact O-CB 3.28Å; Q323-Y326 WeakPolarHBondContact O-CB 3.32Å; Q323-Y326 PolarHBondContact O-N 3.41Å; Q323-Y326 VanDerWaalsContact O-N 3.17Å; N324-Y326 PolarHBondContact O-N 3.46Å; Y326-Q328 PolarHBondContact O-N 3.45Å; Y326-R329 WeakPolarHBondContact O-CB 3.39Å; Y326-R329 PolarHBondContact O-N 3.03Å; Y326-R329 VanDerWaalsContact O-N 3.11Å; Y326-I330 HydrophobicContact CD2-CG1 3.72Å; Y326-I330 HydrophobicContact CE2-CB 4.44Å; Y326-I330 HydrophobicContact CE2-CG1 3.54Å; Y326-I330 WeakPolarHBondContact O-CG1 3.35Å; Y326-I330 PolarHBondContact O-N 3.38Å; Y326-D341 WeakPolarHBondContact CE1-OD2 3.41Å; Y326-D341 PolarHBondContact OH-OD1 3.38Å; Y326-D341 PolarHBondContact OH-OD2 2.64Å
327	F	90.3	Very high	90.4	Very high	20 Å²	20	48.6 Å²	48.6	9%	0.088	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-48.2	-176.1	-174.5	-101.2	0	0	0	111.4	N325 R329 I330 I331 L340 R343 D349	N325-F327 VanDerWaalsContact C-N 3.29Å; N325-F327 PolarHBondContact O-N 3.23Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 2.89Å; F327-I330 PolarHBondContact O-N 3.04Å; F327-I331 HydrophobicContact CD1-CD1 3.45Å; F327-I331 VanDerWaalsContact CD1-CD1 3.45Å; F327-I331 HydrophobicContact CD2-CD1 4.31Å; F327-I331 HydrophobicContact CE1-CD1 3.16Å; F327-I331 HydrophobicContact CE2-CD1 4.06Å; F327-I331 HydrophobicContact CG-CD1 4.03Å; F327-I331 HydrophobicContact CZ-CD1 3.49Å; F327-I331 VanDerWaalsContact CZ-CD1 3.49Å; F327-I331 WeakPolarHBondContact O-CD1 3.38Å; F327-I331 VanDerWaalsContact O-CG1 3.27Å; F327-I331 WeakPolarHBondContact O-CG1 3.3Å; F327-I331 PolarHBondContact O-N 2.96Å; F327-L340 HydrophobicContact CD2-CD2 3.57Å; F327-L340 HydrophobicContact CD2-CG 4.22Å; F327-L340 HydrophobicContact CE2-CB 4.12Å; F327-L340 HydrophobicContact CE2-CD2 3.84Å; F327-L340 HydrophobicContact CE2-CG 4.2Å; F327-L340 HydrophobicContact CG-CD2 4.39Å; F327-R343 HydrophobicContact CE2-CG 4.46Å; F327-R343 HydrophobicContact CZ-CG 4.36Å; F327-D349 HydrophobicContact CE1-CB 3.92Å
328	Q	87.9	Confident	90.3	Very high	44 Å²	44	48.7 Å²	48.7	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-39.1	176.7	-69.6	75.2	10.5	0	0	111.4	N325 Y326 I331 F332 A353 Y357	N325-Q328 HydrophobicContact CB-CB 4.48Å; N325-Q328 PolarHBondContact O-N 3.17Å; Y326-Q328 PolarHBondContact O-N 3.45Å; Q328-I331 PolarHBondContact O-N 3.45Å; Q328-F332 VanDerWaalsContact O-CB 3.27Å; Q328-F332 WeakPolarHBondContact O-CB 3.35Å; Q328-F332 PolarHBondContact O-N 2.84Å; Q328-A353 HydrophobicContact CB-CB 4.16Å; Q328-A353 WeakPolarHBondContact O-CB 3.35Å; Q328-Y357 HydrophobicContact CB-CE2 4.3Å
329	R	89.9	Confident	90.4	Very high	63 Å²	63	50.6 Å²	50.6	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-47.1	178	-164.2	168.5	-72.9	178.9	-7.6	111.7	H298 N325 Y326 F327 F332 H333 Y357	H298-R329 HydrophobicContact CB-CG 4.13Å; N325-R329 WeakPolarHBondContact O-CB 3.33Å; N325-R329 PolarHBondContact O-N 3.45Å; Y326-R329 WeakPolarHBondContact O-CB 3.39Å; Y326-R329 PolarHBondContact O-N 3.03Å; Y326-R329 VanDerWaalsContact O-N 3.11Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 2.89Å; R329-F332 PolarHBondContact O-N 3.16Å; R329-H333 PolarHBondContact O-CD2 3.5Å; R329-H333 PolarHBondContact O-N 3.21Å; R329-Y357 HydrophobicContact CB-CE2 4.07Å; R329-Y357 VanDerWaalsContact CB-OH 3.26Å; R329-Y357 WeakPolarHBondContact CB-OH 3.24Å; R329-Y357 HydrophobicContact CG-CE1 4.37Å; R329-Y357 HydrophobicContact CG-CE2 4.42Å; R329-Y357 PolarHBondContact NE-OH 3.07Å
330	I	92.6	Very high	90.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-43.4	180	-63.6	-48.2	0	0	0	111.3	H298 L301 L313 L315 I320 Y326 F327 F332 H333 L334 L337 L340	H298-I330 HydrophobicContact CB-CD1 4.32Å; L301-I330 HydrophobicContact CD1-CD1 3.57Å; L313-I330 HydrophobicContact CD2-CG2 4.23Å; L315-I330 HydrophobicContact CD1-CD1 4.46Å; L315-I330 HydrophobicContact CD1-CG1 4.13Å; L315-I330 HydrophobicContact CD1-CG2 4.39Å; I320-I330 HydrophobicContact CD1-CD1 3.86Å; Y326-I330 HydrophobicContact CD2-CG1 3.72Å; Y326-I330 HydrophobicContact CE2-CB 4.44Å; Y326-I330 HydrophobicContact CE2-CG1 3.54Å; Y326-I330 WeakPolarHBondContact O-CG1 3.35Å; Y326-I330 PolarHBondContact O-N 3.38Å; F327-I330 PolarHBondContact O-N 3.04Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 2.87Å; I330-H333 PolarHBondContact O-N 3.5Å; I330-L334 HydrophobicContact CG2-CD1 4Å; I330-L334 HydrophobicContact CG2-CG 4.45Å; I330-L334 WeakPolarHBondContact O-CB 3.47Å; I330-L334 PolarHBondContact O-N 3.25Å; I330-L337 HydrophobicContact CG2-CD1 3.88Å; I330-L340 HydrophobicContact CB-CD2 4.01Å; I330-L340 HydrophobicContact CG2-CD1 4.1Å; I330-L340 HydrophobicContact CG2-CD2 3.85Å
331	I	91.2	Very high	90.5	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.6	-69.8	166.6	0	0	0	111.6	F327 Q328 L340 V345 D349 R350 A353	F327-I331 HydrophobicContact CD1-CD1 3.45Å; F327-I331 VanDerWaalsContact CD1-CD1 3.45Å; F327-I331 HydrophobicContact CD2-CD1 4.31Å; F327-I331 HydrophobicContact CE1-CD1 3.16Å; F327-I331 HydrophobicContact CE2-CD1 4.06Å; F327-I331 HydrophobicContact CG-CD1 4.03Å; F327-I331 HydrophobicContact CZ-CD1 3.49Å; F327-I331 VanDerWaalsContact CZ-CD1 3.49Å; F327-I331 WeakPolarHBondContact O-CD1 3.38Å; F327-I331 VanDerWaalsContact O-CG1 3.27Å; F327-I331 WeakPolarHBondContact O-CG1 3.3Å; F327-I331 PolarHBondContact O-N 2.96Å; Q328-I331 PolarHBondContact O-N 3.45Å; I331-L340 HydrophobicContact CG1-CD2 4.34Å; I331-V345 HydrophobicContact CD1-CG1 3.82Å; I331-V345 HydrophobicContact CD1-CG2 4.04Å; I331-V345 HydrophobicContact CG1-CG1 3.96Å; I331-V345 HydrophobicContact CG1-CG2 4.05Å; I331-V345 HydrophobicContact CG2-CG1 3.96Å; I331-D349 HydrophobicContact CD1-CB 3.88Å; I331-R350 HydrophobicContact CG2-CB 4.35Å; I331-R350 HydrophobicContact CG2-CG 3.83Å; I331-A353 HydrophobicContact CB-CB 4.34Å; I331-A353 HydrophobicContact CG2-CB 4.1Å
332	F	90.2	Very high	90.5	Very high	22 Å²	22	53.2 Å²	53.2	10%	0.096	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-47.9	177.4	178.1	-107.4	0	0	0	111.7	Q328 R329 I330 A353 N354 Y357 E358	Q328-F332 VanDerWaalsContact O-CB 3.27Å; Q328-F332 WeakPolarHBondContact O-CB 3.35Å; Q328-F332 PolarHBondContact O-N 2.84Å; R329-F332 PolarHBondContact O-N 3.16Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 2.87Å; F332-A353 HydrophobicContact CB-CB 4.08Å; F332-N354 WeakPolarHBondContact CD2-OD1 3.36Å; F332-Y357 HydrophobicContact CB-CD2 3.79Å; F332-Y357 HydrophobicContact CB-CE2 4.4Å; F332-Y357 HydrophobicContact CB-CG 4.47Å; F332-Y357 HydrophobicContact CD1-CD2 4.07Å; F332-Y357 AromaticContact CD1-CG 3.9Å; F332-Y357 HydrophobicContact CD1-CG 3.9Å; F332-Y357 HydrophobicContact CD2-CD2 4.32Å; F332-Y357 HydrophobicContact CD2-CG 4.44Å; F332-Y357 HydrophobicContact CE1-CG 4.26Å; F332-Y357 AromaticContact CG-CD2 3.8Å; F332-Y357 HydrophobicContact CG-CD2 3.8Å; F332-Y357 HydrophobicContact CG-CG 4.01Å; F332-E358 HydrophobicContact CE2-CB 4.29Å; F332-E358 HydrophobicContact CE2-CG 3.99Å; F332-E358 HydrophobicContact CZ-CB 4.5Å; F332-E358 HydrophobicContact CZ-CG 3.74Å
333	H	89.9	Confident	90.6	Very high	33 Å²	33	52.4 Å²	52.4	15%	0.153	25%	0.246	C	C	.	.	H	α-helix	trans	-76.4	-39.9	-178.7	-67.1	-61.5	0	0	0	113.2	H298 M302 R329 I330 K335	H298-H333 AromaticContact CD2-CD2 3.88Å; H298-H333 AromaticContact CD2-NE2 3.39Å; H298-H333 PolarHBondContact CD2-NE2 2.92Å; M302-H333 HydrophobicContact CE-CB 4.09Å; R329-H333 PolarHBondContact O-CD2 3.5Å; R329-H333 PolarHBondContact O-N 3.21Å; I330-H333 PolarHBondContact O-N 3.5Å; H333-K335 PolarHBondContact O-N 3.04Å
334	L	92.6	Very high	90.8	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.047	27%	0.27	C	S	.	.			trans	-103.3	73.5	-175.7	-56.1	-175.1	0	0	0	111.1	L304 K305 L313 I330 N336 L337	L304-L334 HydrophobicContact CB-CD1 4.08Å; L304-L334 HydrophobicContact CB-CD2 3.74Å; L304-L334 HydrophobicContact CD1-CD1 4.21Å; K305-L334 HydrophobicContact CB-CD2 4.22Å; L313-L334 HydrophobicContact CD2-CD1 3.68Å; I330-L334 HydrophobicContact CG2-CD1 4Å; I330-L334 HydrophobicContact CG2-CG 4.45Å; I330-L334 WeakPolarHBondContact O-CB 3.47Å; I330-L334 PolarHBondContact O-N 3.25Å; L334-N336 PolarHBondContact O-N 3.27Å; L334-L337 HydrophobicContact CB-CD1 3.6Å; L334-L337 HydrophobicContact CB-CG 3.81Å; L334-L337 HydrophobicContact CD1-CD1 3.8Å; L334-L337 HydrophobicContact CD1-CG 4.44Å; L334-L337 HydrophobicContact CG-CD1 4.32Å; L334-L337 PolarHBondContact O-N 3.44Å
335	K	89.4	Confident	91.3	Very high	122 Å²	122	53.3 Å²	53.3	53%	0.53	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.7	-170.6	-60.1	-174.9	179.8	-172.8	0	115.1	H333 R350	H333-K335 PolarHBondContact O-N 3.04Å; K335-R350 VanDerWaalsContact O-CZ 3.24Å; K335-R350 PolarHBondContact O-NH1 3.07Å; K335-R350 PolarHBondContact O-NH2 3.46Å
336	N	91.3	Very high	91.2	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6	-177.6	-59.8	-46.9	0	0	0	114.5	S308 L310 H311 L334 K338	S308-N336 WeakPolarHBondContact CA-ND2 3.37Å; L310-N336 CarbonylContact O-C 3.35Å; H311-N336 PolarHBondContact CD2-O 3.43Å; L334-N336 PolarHBondContact O-N 3.27Å; N336-K338 PolarHBondContact O-N 3.28Å
337	L	94	Very high	90.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	27%	0.268	C	S	.	.			trans	-63.4	129.8	-179.2	-75.6	179	0	0	0	112.4	L310 H311 L313 I330 L334 R350	L310-L337 HydrophobicContact CD2-CD2 4.21Å; L310-L337 HydrophobicContact CG-CD2 3.94Å; H311-L337 CarbonylContact O-C 3.58Å; L313-L337 HydrophobicContact CB-CD1 4.13Å; L313-L337 HydrophobicContact CB-CD2 3.56Å; L313-L337 HydrophobicContact CD2-CD1 3.97Å; I330-L337 HydrophobicContact CG2-CD1 3.88Å; L334-L337 HydrophobicContact CB-CD1 3.6Å; L334-L337 HydrophobicContact CB-CG 3.81Å; L334-L337 HydrophobicContact CD1-CD1 3.8Å; L334-L337 HydrophobicContact CD1-CG 4.44Å; L334-L337 HydrophobicContact CG-CD1 4.32Å; L334-L337 PolarHBondContact O-N 3.44Å; L337-R350 PolarHBondContact O-NH2 3.14Å
338	K	93.4	Very high	89.7	Confident	115 Å²	115	59 Å²	59	50%	0.5	27%	0.273	S	S	.	.	S	Bend	trans	-100.1	-32.4	173.3	-64.9	177.2	177.8	154.7	0	112	H311 N336 R344 V345	H311-K338 HydrophobicContact CB-CB 4.19Å; H311-K338 HydrophobicContact CB-CD 3.99Å; H311-K338 HydrophobicContact CB-CG 4.12Å; H311-K338 WeakPolarHBondContact CD2-CE 3.43Å; H311-K338 PolarHBondContact CD2-NZ 3.1Å; H311-K338 PolarHBondContact NE2-NZ 2.98Å; H311-K338 PolarHBondContact O-N 3.43Å; N336-K338 PolarHBondContact O-N 3.28Å; K338-R344 WeakPolarHBondContact O-CA 3.39Å; K338-V345 PolarHBondContact O-N 3.29Å
339	I	96.4	Very high	89.5	Confident	45 Å²	45	57.1 Å²	57.1	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128	-179.3	-52.8	-177.3	0	0	0	108.7	H311 N312 L313 R343 R344	H311-I339 PolarHBondContact O-N 3.42Å; N312-I339 WeakPolarHBondContact CA-O 3.46Å; N312-I339 HydrophobicContact CB-CB 4.4Å; N312-I339 VanDerWaalsContact OD1-CB 3.3Å; N312-I339 WeakPolarHBondContact OD1-CB 3.29Å; N312-I339 WeakPolarHBondContact OD1-CD1 3.39Å; N312-I339 VanDerWaalsContact OD1-CG1 3.28Å; N312-I339 WeakPolarHBondContact OD1-CG1 3.24Å; L313-I339 PolarHBondContact N-O 2.64Å; I339-R343 CarbonylContact C-O 3.12Å; I339-R343 WeakPolarHBondContact CA-O 3.27Å; I339-R344 HydrophobicContact CG1-CG 4.36Å
340	L	95.8	Very high	89	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.3	174.1	178.6	60	0	0	0	108.4	L313 L315 F327 I330 I331 D342 R343 V345	L313-L340 HydrophobicContact CB-CD1 4.22Å; L313-L340 HydrophobicContact CD2-CD1 4.18Å; L313-L340 HydrophobicContact CG-CD1 4.15Å; L313-L340 CarbonylContact O-C 3.57Å; L313-L340 VanDerWaalsContact O-CA 3.26Å; L313-L340 WeakPolarHBondContact O-CA 3.27Å; L315-L340 HydrophobicContact CD1-CD1 4.13Å; F327-L340 HydrophobicContact CD2-CD2 3.57Å; F327-L340 HydrophobicContact CD2-CG 4.22Å; F327-L340 HydrophobicContact CE2-CB 4.12Å; F327-L340 HydrophobicContact CE2-CD2 3.84Å; F327-L340 HydrophobicContact CE2-CG 4.2Å; F327-L340 HydrophobicContact CG-CD2 4.39Å; I330-L340 HydrophobicContact CB-CD2 4.01Å; I330-L340 HydrophobicContact CG2-CD1 4.1Å; I330-L340 HydrophobicContact CG2-CD2 3.85Å; I331-L340 HydrophobicContact CG1-CD2 4.34Å; L340-D342 VanDerWaalsContact C-N 3.29Å; L340-D342 PolarHBondContact O-N 3.31Å; L340-R343 PolarHBondContact N-O 3.05Å; L340-R343 WeakPolarHBondContact O-CA 3.34Å; L340-R343 WeakPolarHBondContact O-CB 3.43Å; L340-R343 PolarHBondContact O-N 3.3Å; L340-R343 VanDerWaalsContact O-O 3.1Å; L340-V345 HydrophobicContact CB-CG2 4.09Å
341	D	94	Very high	88.1	Confident	24 Å²	24	59.2 Å²	59.2	13%	0.128	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	41.6	179.2	-66.2	-16.1	0	0	0	114	L313 N314 L315 K316 Y326 R343	L313-D341 PolarHBondContact O-N 3.15Å; N314-D341 PolarHBondContact OD1-OD1 3.01Å; L315-D341 WeakPolarHBondContact CA-OD1 3.23Å; L315-D341 PolarHBondContact N-OD1 3.4Å; K316-D341 HydrophobicContact CD-CB 4.41Å; K316-D341 WeakPolarHBondContact CE-O 3.26Å; K316-D341 HydrophobicContact CG-CB 3.82Å; K316-D341 PolarHBondContact N-OD1 3.44Å; K316-D341 VanDerWaalsContact N-OD1 3.12Å; K316-D341 PolarHBondContact NZ-O 3.01Å; K316-D341 VanDerWaalsContact NZ-O 3.14Å; Y326-D341 WeakPolarHBondContact CE1-OD2 3.41Å; Y326-D341 PolarHBondContact OH-OD1 3.38Å; Y326-D341 PolarHBondContact OH-OD2 2.64Å; D341-R343 PolarHBondContact O-N 2.97Å; D341-R343 VanDerWaalsContact O-N 3.1Å
342	D	91.7	Very high	87.2	Confident	113 Å²	113	63 Å²	63	60%	0.604	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	6.5	-174.2	-45.6	-50.7	0	0	0	114.5	K316 L340	K316-D342 IonicContact NZ-OD2 2.85Å; K316-D342 PolarHBondContact NZ-OD2 2.78Å; L340-D342 VanDerWaalsContact C-N 3.29Å; L340-D342 PolarHBondContact O-N 3.31Å
343	R	92.2	Very high	86.7	Confident	125 Å²	125	61.9 Å²	61.9	47%	0.472	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.2	172.9	179.4	180	167.8	-168	-7.7	110.5	F327 I339 L340 D341 D349	F327-R343 HydrophobicContact CE2-CG 4.46Å; F327-R343 HydrophobicContact CZ-CG 4.36Å; I339-R343 CarbonylContact C-O 3.12Å; I339-R343 WeakPolarHBondContact CA-O 3.27Å; L340-R343 PolarHBondContact N-O 3.05Å; L340-R343 WeakPolarHBondContact O-CA 3.34Å; L340-R343 WeakPolarHBondContact O-CB 3.43Å; L340-R343 PolarHBondContact O-N 3.3Å; L340-R343 VanDerWaalsContact O-O 3.1Å; D341-R343 PolarHBondContact O-N 2.97Å; D341-R343 VanDerWaalsContact O-N 3.1Å; R343-D349 IonicContact NH2-OD1 2.83Å; R343-D349 PolarHBondContact NH2-OD1 2.92Å; R343-D349 VanDerWaalsContact NH2-OD1 3.14Å; R343-D349 IonicContact NH2-OD2 2.67Å
344	R	91	Very high	86.1	Confident	206 Å²	206	63.6 Å²	63.6	78%	0.777	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	133.2	172.5	-75.4	-177.2	175.7	160.1	-0.1	110.9	K338 I339 S346	K338-R344 WeakPolarHBondContact O-CA 3.39Å; I339-R344 HydrophobicContact CG1-CG 4.36Å; R344-S346 PolarHBondContact O-N 3.05Å
345	V	90.2	Very high	85	Confident	17 Å²	17	65.5 Å²	65.5	10%	0.103	31%	0.306	C	S	.	.			trans	-81.4	111.5	173.8	177	0	0	0	0	108.6	I331 K338 L340 D349 R350	I331-V345 HydrophobicContact CD1-CG1 3.82Å; I331-V345 HydrophobicContact CD1-CG2 4.04Å; I331-V345 HydrophobicContact CG1-CG1 3.96Å; I331-V345 HydrophobicContact CG1-CG2 4.05Å; I331-V345 HydrophobicContact CG2-CG1 3.96Å; K338-V345 PolarHBondContact O-N 3.29Å; L340-V345 HydrophobicContact CB-CG2 4.09Å; V345-D349 HydrophobicContact CG1-CB 4.45Å; V345-R350 HydrophobicContact CG1-CG 4.1Å
346	S	82	Confident	84.1	Confident	48 Å²	48	66.3 Å²	66.3	34%	0.336	31%	0.307	S	S	.	.			trans	-80.7	161.5	176.9	70.5	0	0	0	0	111.7	R344 M348 D349 R350	R344-S346 PolarHBondContact O-N 3.05Å; S346-M348 PolarHBondContact O-N 3.07Å; S346-M348 WeakPolarHBondContact OG-CB 3.3Å; S346-M348 PolarHBondContact OG-N 3.02Å; S346-D349 WeakPolarHBondContact CB-OD2 3.28Å; S346-D349 PolarHBondContact N-OD2 3.35Å; S346-D349 PolarHBondContact O-N 3.48Å; S346-D349 VanDerWaalsContact O-N 3.15Å; S346-D349 PolarHBondContact OG-N 3.29Å; S346-D349 PolarHBondContact OG-OD2 2.78Å; S346-R350 PolarHBondContact O-N 3.14Å
347	I	78.4	Confident	83.4	Confident	136 Å²	136	65.6 Å²	65.6	70%	0.697	30%	0.299	S	S	*	.	H	α-helix	trans	-55.8	-38.7	169.8	-63.1	161.7	0	0	0	109.7	D349 R350 V351	I347-D349 VanDerWaalsContact C-N 3.34Å; I347-D349 PolarHBondContact O-N 2.76Å; I347-R350 WeakPolarHBondContact O-CB 3.4Å; I347-R350 PolarHBondContact O-N 3.47Å; I347-R350 VanDerWaalsContact O-N 3.1Å; I347-V351 HydrophobicContact CG2-CG2 4.41Å; I347-V351 WeakPolarHBondContact O-CG2 3.36Å; I347-V351 PolarHBondContact O-N 2.81Å
348	M	70.7	Confident	82.4	Confident	37 Å²	37	71.7 Å²	71.7	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-39.8	177.7	-76.6	-47.1	-47.2	0	0	113.9	S346 R350 V351 R352 N423	S346-M348 PolarHBondContact O-N 3.07Å; S346-M348 WeakPolarHBondContact OG-CB 3.3Å; S346-M348 PolarHBondContact OG-N 3.02Å; M348-R350 VanDerWaalsContact C-N 3.28Å; M348-R350 PolarHBondContact O-N 3.26Å; M348-V351 PolarHBondContact O-N 3Å; M348-R352 WeakPolarHBondContact O-CG 3.26Å; M348-R352 PolarHBondContact O-N 3.15Å; M348-N423 HydrophobicContact CE-CB 3.28Å; M348-N423 VanDerWaalsContact CE-O 3.29Å; M348-N423 WeakPolarHBondContact CE-O 3.4Å; M348-N423 HydrophobicContact SD-CB 3.5Å; M348-N423 VanDerWaalsContact SD-CB 3.5Å; M348-N423 PolarHBondContact SD-ND2 3.28Å
349	D	81.7	Confident	81.2	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-35.5	176	-60.8	-51.4	0	0	0	111.3	F327 I331 R343 V345 S346 I347 R352 A353	F327-D349 HydrophobicContact CE1-CB 3.92Å; I331-D349 HydrophobicContact CD1-CB 3.88Å; R343-D349 IonicContact NH2-OD1 2.83Å; R343-D349 PolarHBondContact NH2-OD1 2.92Å; R343-D349 VanDerWaalsContact NH2-OD1 3.14Å; R343-D349 IonicContact NH2-OD2 2.67Å; V345-D349 HydrophobicContact CG1-CB 4.45Å; S346-D349 WeakPolarHBondContact CB-OD2 3.28Å; S346-D349 PolarHBondContact N-OD2 3.35Å; S346-D349 PolarHBondContact O-N 3.48Å; S346-D349 VanDerWaalsContact O-N 3.15Å; S346-D349 PolarHBondContact OG-N 3.29Å; S346-D349 PolarHBondContact OG-OD2 2.78Å; I347-D349 VanDerWaalsContact C-N 3.34Å; I347-D349 PolarHBondContact O-N 2.76Å; D349-R352 IonicContact OD1-NH1 3.25Å; D349-A353 VanDerWaalsContact O-CB 3.26Å; D349-A353 WeakPolarHBondContact O-CB 3.46Å; D349-A353 PolarHBondContact O-N 2.78Å
350	R	80.6	Confident	79.7	Confident	67 Å²	67	70.2 Å²	70.2	25%	0.253	33%	0.331	S	S	.	.	H	α-helix	trans	-68.5	-43.9	175.5	-59.1	-175.6	-174.6	-71.6	6.6	112.6	I331 K335 L337 V345 S346 I347 M348 A353 N354	I331-R350 HydrophobicContact CG2-CB 4.35Å; I331-R350 HydrophobicContact CG2-CG 3.83Å; K335-R350 VanDerWaalsContact O-CZ 3.24Å; K335-R350 PolarHBondContact O-NH1 3.07Å; K335-R350 PolarHBondContact O-NH2 3.46Å; L337-R350 PolarHBondContact O-NH2 3.14Å; V345-R350 HydrophobicContact CG1-CG 4.1Å; S346-R350 PolarHBondContact O-N 3.14Å; I347-R350 WeakPolarHBondContact O-CB 3.4Å; I347-R350 PolarHBondContact O-N 3.47Å; I347-R350 VanDerWaalsContact O-N 3.1Å; M348-R350 VanDerWaalsContact C-N 3.28Å; M348-R350 PolarHBondContact O-N 3.26Å; R350-A353 PolarHBondContact O-N 3.14Å; R350-N354 PolarHBondContact O-N 2.91Å
351	V	74.5	Confident	78	Confident	43 Å²	43	77.7 Å²	77.7	26%	0.261	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-49.3	176.8	173.1	0	0	0	0	109.4	I347 M348 A353 N354 L355	I347-V351 HydrophobicContact CG2-CG2 4.41Å; I347-V351 WeakPolarHBondContact O-CG2 3.36Å; I347-V351 PolarHBondContact O-N 2.81Å; M348-V351 PolarHBondContact O-N 3Å; V351-A353 VanDerWaalsContact C-N 3.33Å; V351-A353 PolarHBondContact O-N 3.05Å; V351-N354 PolarHBondContact O-N 3.36Å; V351-L355 HydrophobicContact CG1-CD1 3.77Å; V351-L355 HydrophobicContact CG1-CG 4.2Å; V351-L355 WeakPolarHBondContact O-CB 3.34Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.86Å
352	R	71.1	Confident	76.4	Confident	81 Å²	81	83.3 Å²	83.3	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-58.5	-42.4	176.2	-71.4	175.3	-174	149.8	0.7	112.8	M348 D349 L355 Y356 N423	M348-R352 WeakPolarHBondContact O-CG 3.26Å; M348-R352 PolarHBondContact O-N 3.15Å; D349-R352 IonicContact OD1-NH1 3.25Å; R352-L355 PolarHBondContact O-N 3Å; R352-Y356 WeakPolarHBondContact O-CB 3.46Å; R352-Y356 PolarHBondContact O-N 3.44Å; R352-N423 PolarHBondContact NH2-O 2.93Å
353	A	80.7	Confident	74.6	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-46.6	177.6	0	0	0	0	0	111.9	Q328 I331 F332 D349 R350 V351 Y356 Y357	Q328-A353 HydrophobicContact CB-CB 4.16Å; Q328-A353 WeakPolarHBondContact O-CB 3.35Å; I331-A353 HydrophobicContact CB-CB 4.34Å; I331-A353 HydrophobicContact CG2-CB 4.1Å; F332-A353 HydrophobicContact CB-CB 4.08Å; D349-A353 VanDerWaalsContact O-CB 3.26Å; D349-A353 WeakPolarHBondContact O-CB 3.46Å; D349-A353 PolarHBondContact O-N 2.78Å; R350-A353 PolarHBondContact O-N 3.14Å; V351-A353 VanDerWaalsContact C-N 3.33Å; V351-A353 PolarHBondContact O-N 3.05Å; A353-Y356 PolarHBondContact O-N 3.47Å; A353-Y357 WeakPolarHBondContact O-CD2 3.38Å; A353-Y357 PolarHBondContact O-N 3.39Å; A353-Y357 VanDerWaalsContact O-N 3.14Å
354	N	77	Confident	72.5	Confident	68 Å²	68	78 Å²	78	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176.2	-72	-16.4	0	0	0	111.8	F332 R350 V351 Y356 Y357 E358	F332-N354 WeakPolarHBondContact CD2-OD1 3.36Å; R350-N354 PolarHBondContact O-N 2.91Å; V351-N354 PolarHBondContact O-N 3.36Å; N354-Y356 PolarHBondContact O-N 2.73Å; N354-Y357 PolarHBondContact O-N 3.2Å; N354-E358 CarbonylContact O-C 3.58Å; N354-E358 WeakPolarHBondContact O-CA 3.28Å; N354-E358 PolarHBondContact O-N 3.47Å
355	L	68.2	Low	70.6	Confident	50 Å²	50	71 Å²	71	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-33.7	176.5	-71.9	173.1	0	0	0	112.6	V351 R352 P359 T424	V351-L355 HydrophobicContact CG1-CD1 3.77Å; V351-L355 HydrophobicContact CG1-CG 4.2Å; V351-L355 WeakPolarHBondContact O-CB 3.34Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.86Å; R352-L355 PolarHBondContact O-N 3Å; L355-P359 WeakPolarHBondContact O-CB 3.49Å; L355-T424 HydrophobicContact CD1-CG2 3.71Å
356	Y	71.3	Confident	68.6	Low	138 Å²	138	76.9 Å²	76.9	54%	0.541	38%	0.383	S	S	.	.	H	α-helix	trans	-78.1	-40.1	-178.8	-167.5	-86	0	0	0	113.2	N325 R352 A353 N354	N325-Y356 VanDerWaalsContact ND2-CE2 3.35Å; N325-Y356 WeakPolarHBondContact ND2-CE2 3.45Å; N325-Y356 PolarHBondContact ND2-OH 3.43Å; N325-Y356 VanDerWaalsContact ND2-OH 3.1Å; R352-Y356 WeakPolarHBondContact O-CB 3.46Å; R352-Y356 PolarHBondContact O-N 3.44Å; A353-Y356 PolarHBondContact O-N 3.47Å; N354-Y356 PolarHBondContact O-N 2.73Å
357	Y	75.7	Confident	67.1	Low	58 Å²	58	78.3 Å²	78.3	23%	0.227	38%	0.384	C	S	.	.	H	α-helix	trans	-101.8	-26.9	-172.9	-70.7	-74.3	0	0	0	114.6	Q328 R329 F332 A353 N354 P359	Q328-Y357 HydrophobicContact CB-CE2 4.3Å; R329-Y357 HydrophobicContact CB-CE2 4.07Å; R329-Y357 VanDerWaalsContact CB-OH 3.26Å; R329-Y357 WeakPolarHBondContact CB-OH 3.24Å; R329-Y357 HydrophobicContact CG-CE1 4.37Å; R329-Y357 HydrophobicContact CG-CE2 4.42Å; R329-Y357 PolarHBondContact NE-OH 3.07Å; F332-Y357 HydrophobicContact CB-CD2 3.79Å; F332-Y357 HydrophobicContact CB-CE2 4.4Å; F332-Y357 HydrophobicContact CB-CG 4.47Å; F332-Y357 HydrophobicContact CD1-CD2 4.07Å; F332-Y357 AromaticContact CD1-CG 3.9Å; F332-Y357 HydrophobicContact CD1-CG 3.9Å; F332-Y357 HydrophobicContact CD2-CD2 4.32Å; F332-Y357 HydrophobicContact CD2-CG 4.44Å; F332-Y357 HydrophobicContact CE1-CG 4.26Å; F332-Y357 AromaticContact CG-CD2 3.8Å; F332-Y357 HydrophobicContact CG-CD2 3.8Å; F332-Y357 HydrophobicContact CG-CG 4.01Å; A353-Y357 WeakPolarHBondContact O-CD2 3.38Å; A353-Y357 PolarHBondContact O-N 3.39Å; A353-Y357 VanDerWaalsContact O-N 3.14Å; N354-Y357 PolarHBondContact O-N 3.2Å; Y357-P359 VanDerWaalsContact C-CD 3.45Å
358	E	74.1	Confident	65.7	Low	129 Å²	129	75.8 Å²	75.8	60%	0.603	37%	0.373	S	S	*	.	S	Bend	trans	-128.3	65.3	172.3	-78.6	176.8	-178.8	0	0	109.7	F332 N354	F332-E358 HydrophobicContact CE2-CB 4.29Å; F332-E358 HydrophobicContact CE2-CG 3.99Å; F332-E358 HydrophobicContact CZ-CB 4.5Å; F332-E358 HydrophobicContact CZ-CG 3.74Å; N354-E358 CarbonylContact O-C 3.58Å; N354-E358 WeakPolarHBondContact O-CA 3.28Å; N354-E358 PolarHBondContact O-N 3.47Å
359	P	67	Low	64.8	Low	55 Å²	55	78.9 Å²	78.9	36%	0.357	39%	0.386	S	S	.	.			trans	-64.4	141.9	173.9	27.9	-34.2	0	0	0	110.4	L355 Y357 Q363 V364	L355-P359 WeakPolarHBondContact O-CB 3.49Å; Y357-P359 VanDerWaalsContact C-CD 3.45Å; P359-Q363 HydrophobicContact CB-CB 4.25Å; P359-V364 HydrophobicContact CB-CG2 3.81Å; P359-V364 HydrophobicContact CG-CG2 3.56Å
360	T	65.1	Low	63.1	Low	74 Å²	74	84.5 Å²	84.5	45%	0.454	41%	0.407	S	S	.	.			trans	-65.9	155.4	171.3	58.2	0	0	0	0	110.9	E362 Q363 V364	T360-E362 PolarHBondContact O-N 3.43Å; T360-E362 VanDerWaalsContact O-N 3.16Å; T360-Q363 WeakPolarHBondContact O-CA 3.21Å; T360-Q363 WeakPolarHBondContact O-CB 3.46Å; T360-Q363 PolarHBondContact O-N 3.4Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.36Å; T360-Q363 PolarHBondContact OG1-OE1 3.38Å; T360-V364 PolarHBondContact O-N 3.28Å
361	L	61.7	Low	61.5	Low	158 Å²	158	84 Å²	84	83%	0.827	41%	0.409	S	S	*	.	H	α-helix	trans	-54.9	-35.2	178.7	-72	170.7	0	0	0	112.6	Q363 A365	L361-Q363 VanDerWaalsContact C-N 3.34Å; L361-A365 VanDerWaalsContact O-CB 3.31Å; L361-A365 WeakPolarHBondContact O-CB 3.44Å; L361-A365 PolarHBondContact O-N 3.05Å
362	E	59.1	Low	60.1	Low	141 Å²	141	86.1 Å²	86.1	66%	0.659	42%	0.419	S	S	*	.	H	α-helix	trans	-66	-35.4	175.4	-63.8	-176.4	176.8	0	0	112.9	T360 R366	T360-E362 PolarHBondContact O-N 3.43Å; T360-E362 VanDerWaalsContact O-N 3.16Å; E362-R366 PolarHBondContact O-N 3.47Å
363	Q	54.3	Low	58.7	Low	67 Å²	67	85.2 Å²	85.2	31%	0.313	42%	0.42	S	S	.	.	H	α-helix	trans	-75.7	-40.9	179.3	-72.9	162.8	-17.2	0	0	111.7	P359 T360 L361 A365 R366 E367	P359-Q363 HydrophobicContact CB-CB 4.25Å; T360-Q363 WeakPolarHBondContact O-CA 3.21Å; T360-Q363 WeakPolarHBondContact O-CB 3.46Å; T360-Q363 PolarHBondContact O-N 3.4Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.36Å; T360-Q363 PolarHBondContact OG1-OE1 3.38Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; Q363-A365 VanDerWaalsContact C-N 3.32Å; Q363-R366 PolarHBondContact O-N 3.1Å; Q363-E367 WeakPolarHBondContact O-CB 3.42Å; Q363-E367 PolarHBondContact O-N 3.08Å
364	V	48.4	Very low	56.7	Low	59 Å²	59	89 Å²	89	36%	0.358	44%	0.44	S	S	.	.	H	α-helix	trans	-59.9	-46.7	171.4	179.6	0	0	0	0	109.8	P359 T360 R366 E367 D368	P359-V364 HydrophobicContact CB-CG2 3.81Å; P359-V364 HydrophobicContact CG-CG2 3.56Å; T360-V364 PolarHBondContact O-N 3.28Å; V364-R366 VanDerWaalsContact C-N 3.29Å; V364-R366 PolarHBondContact O-N 3.49Å; V364-E367 PolarHBondContact O-N 3.35Å; V364-D368 VanDerWaalsContact O-CB 3.31Å; V364-D368 WeakPolarHBondContact O-CB 3.35Å; V364-D368 PolarHBondContact O-N 3.41Å
365	A	51.1	Low	54.9	Low	59 Å²	59	91 Å²	91	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-60.1	-37.2	176.4	0	0	0	0	0	112.7	L361 Q363 H369	L361-A365 VanDerWaalsContact O-CB 3.31Å; L361-A365 WeakPolarHBondContact O-CB 3.44Å; L361-A365 PolarHBondContact O-N 3.05Å; Q363-A365 VanDerWaalsContact C-N 3.32Å; A365-H369 WeakPolarHBondContact O-CB 3.45Å; A365-H369 PolarHBondContact O-N 3.06Å
366	R	49	Very low	53.4	Low	141 Å²	141	93.2 Å²	93.2	53%	0.532	46%	0.456	S	S	.	.	H	α-helix	trans	-68.6	-43	174.3	-86.6	-171	-177.5	113.9	-2.3	112.9	E362 Q363 V364 H369 R370	E362-R366 PolarHBondContact O-N 3.47Å; Q363-R366 PolarHBondContact O-N 3.1Å; V364-R366 VanDerWaalsContact C-N 3.29Å; V364-R366 PolarHBondContact O-N 3.49Å; R366-H369 WeakPolarHBondContact O-CB 3.15Å; R366-H369 PolarHBondContact O-N 2.89Å; R366-R370 WeakPolarHBondContact O-CB 3.41Å; R366-R370 PolarHBondContact O-N 2.84Å
367	E	49.8	Very low	51.9	Low	78 Å²	78	93.8 Å²	93.8	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-70.2	-41.3	179.8	-175.4	60.7	-170.9	0	0	111	Q363 V364 H369 R370 I371	Q363-E367 WeakPolarHBondContact O-CB 3.42Å; Q363-E367 PolarHBondContact O-N 3.08Å; V364-E367 PolarHBondContact O-N 3.35Å; E367-H369 VanDerWaalsContact C-N 3.27Å; E367-H369 PolarHBondContact O-N 3.19Å; E367-R370 VanDerWaalsContact CD-NE 3.34Å; E367-R370 CarbonylContact O-C 3.13Å; E367-R370 WeakPolarHBondContact O-CB 3.32Å; E367-R370 PolarHBondContact O-N 3.39Å; E367-R370 VanDerWaalsContact O-N 3.13Å; E367-R370 IonicContact OE1-CZ 3.62Å; E367-R370 IonicContact OE1-NE 2.77Å; E367-R370 PolarHBondContact OE1-NE 2.88Å; E367-R370 IonicContact OE1-NH2 2.95Å; E367-R370 PolarHBondContact OE1-NH2 3.42Å; E367-R370 IonicContact OE2-CZ 2.85Å; E367-R370 IonicContact OE2-NE 3.07Å; E367-R370 PolarHBondContact OE2-NE 3.1Å; E367-R370 IonicContact OE2-NH2 3.85Å; E367-I371 HydrophobicContact CG-CD1 3.96Å; E367-I371 HydrophobicContact CG-CG1 4.44Å; E367-I371 WeakPolarHBondContact O-CB 2.83Å; E367-I371 WeakPolarHBondContact O-CG1 3.44Å; E367-I371 PolarHBondContact O-N 3.17Å
368	D	49.4	Very low	50	Low	84 Å²	84	95.8 Å²	95.8	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-59.3	-41.1	169.5	-78.9	-14.5	0	0	0	110.7	V364 N372	V364-D368 VanDerWaalsContact O-CB 3.31Å; V364-D368 WeakPolarHBondContact O-CB 3.35Å; V364-D368 PolarHBondContact O-N 3.41Å; D368-N372 WeakPolarHBondContact O-CB 3.03Å; D368-N372 PolarHBondContact O-N 3.41Å; D368-N372 PolarHBondContact O-ND2 2.92Å
369	H	50.7	Low	47.8	Very low	102 Å²	102	97.3 Å²	97.3	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-45.1	173.8	-173.7	60.2	0	0	0	111.4	A365 R366 E367 N372 L373	A365-H369 WeakPolarHBondContact O-CB 3.45Å; A365-H369 PolarHBondContact O-N 3.06Å; R366-H369 WeakPolarHBondContact O-CB 3.15Å; R366-H369 PolarHBondContact O-N 2.89Å; E367-H369 VanDerWaalsContact C-N 3.27Å; E367-H369 PolarHBondContact O-N 3.19Å; H369-N372 PolarHBondContact O-N 3.23Å; H369-L373 WeakPolarHBondContact O-CB 3.5Å; H369-L373 WeakPolarHBondContact O-CG 3.35Å; H369-L373 PolarHBondContact O-N 3.49Å
370	R	46.6	Very low	46.3	Very low	122 Å²	122	100.4 Å²	100.4	46%	0.46	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-45.3	177.7	-169.2	-169.6	75.3	85.8	5.3	112.4	R366 E367 L373 L374	R366-R370 WeakPolarHBondContact O-CB 3.41Å; R366-R370 PolarHBondContact O-N 2.84Å; E367-R370 VanDerWaalsContact CD-NE 3.34Å; E367-R370 CarbonylContact O-C 3.13Å; E367-R370 WeakPolarHBondContact O-CB 3.32Å; E367-R370 PolarHBondContact O-N 3.39Å; E367-R370 VanDerWaalsContact O-N 3.13Å; E367-R370 IonicContact OE1-CZ 3.62Å; E367-R370 IonicContact OE1-NE 2.77Å; E367-R370 PolarHBondContact OE1-NE 2.88Å; E367-R370 IonicContact OE1-NH2 2.95Å; E367-R370 PolarHBondContact OE1-NH2 3.42Å; E367-R370 IonicContact OE2-CZ 2.85Å; E367-R370 IonicContact OE2-NE 3.07Å; E367-R370 PolarHBondContact OE2-NE 3.1Å; E367-R370 IonicContact OE2-NH2 3.85Å; R370-L373 WeakPolarHBondContact O-CB 3.48Å; R370-L373 PolarHBondContact O-N 3.25Å; R370-L374 HydrophobicContact CG-CD1 4.38Å; R370-L374 WeakPolarHBondContact O-CG 3.28Å; R370-L374 PolarHBondContact O-N 3.03Å
371	I	46.7	Very low	44.5	Very low	56 Å²	56	105.1 Å²	105.1	29%	0.287	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-40.8	176.8	-71.8	173.4	0	0	0	110	E367 L373 L374 H375	E367-I371 HydrophobicContact CG-CD1 3.96Å; E367-I371 HydrophobicContact CG-CG1 4.44Å; E367-I371 WeakPolarHBondContact O-CB 2.83Å; E367-I371 WeakPolarHBondContact O-CG1 3.44Å; E367-I371 PolarHBondContact O-N 3.17Å; I371-L373 VanDerWaalsContact C-N 3.33Å; I371-L373 PolarHBondContact O-N 2.9Å; I371-L374 CarbonylContact O-C 3.59Å; I371-L374 PolarHBondContact O-N 3.07Å; I371-H375 WeakPolarHBondContact CG2-CE1 3.42Å; I371-H375 WeakPolarHBondContact CG2-ND1 2.87Å; I371-H375 WeakPolarHBondContact O-CB 3.34Å; I371-H375 PolarHBondContact O-N 2.88Å; I371-H375 PolarHBondContact O-ND1 2.86Å
372	N	44.5	Very low	42.7	Very low	88 Å²	88	108.9 Å²	108.9	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-39	174.5	-77.5	-36.7	0	0	0	111.7	D368 H369 Q376	D368-N372 WeakPolarHBondContact O-CB 3.03Å; D368-N372 PolarHBondContact O-N 3.41Å; D368-N372 PolarHBondContact O-ND2 2.92Å; H369-N372 PolarHBondContact O-N 3.23Å; N372-Q376 WeakPolarHBondContact O-CB 3.49Å; N372-Q376 WeakPolarHBondContact O-CG 3.14Å; N372-Q376 PolarHBondContact O-N 2.95Å
373	L	43.5	Very low	41.1	Very low	62 Å²	62	109.1 Å²	109.1	33%	0.325	53%	0.529	S	S	.	.	H	α-helix	trans	-61.1	-49.2	170.7	-71.4	170.5	0	0	0	110.5	H369 R370 I371 H375 Q376 F377	H369-L373 WeakPolarHBondContact O-CB 3.5Å; H369-L373 WeakPolarHBondContact O-CG 3.35Å; H369-L373 PolarHBondContact O-N 3.49Å; R370-L373 WeakPolarHBondContact O-CB 3.48Å; R370-L373 PolarHBondContact O-N 3.25Å; I371-L373 VanDerWaalsContact C-N 3.33Å; I371-L373 PolarHBondContact O-N 2.9Å; L373-H375 PolarHBondContact O-N 3.29Å; L373-Q376 WeakPolarHBondContact O-CA 3.45Å; L373-Q376 WeakPolarHBondContact O-CB 3.36Å; L373-Q376 PolarHBondContact O-N 3.39Å; L373-Q376 VanDerWaalsContact O-N 3.11Å; L373-F377 VanDerWaalsContact C-CD2 3.47Å; L373-F377 HydrophobicContact CB-CE2 4.08Å; L373-F377 WeakPolarHBondContact O-CD2 3.48Å; L373-F377 WeakPolarHBondContact O-CE2 3.31Å; L373-F377 WeakPolarHBondContact O-CG 3.39Å; L373-F377 PolarHBondContact O-N 2.94Å
374	L	37.8	Very low	40.1	Very low	80 Å²	80	116.2 Å²	116.2	42%	0.419	55%	0.553	S	S	.	*	H	α-helix	trans	-61.5	-40.3	177	-78.5	162.7	0	0	0	114	R370 I371 Q376 F377 T378	R370-L374 HydrophobicContact CG-CD1 4.38Å; R370-L374 WeakPolarHBondContact O-CG 3.28Å; R370-L374 PolarHBondContact O-N 3.03Å; I371-L374 CarbonylContact O-C 3.59Å; I371-L374 PolarHBondContact O-N 3.07Å; L374-Q376 VanDerWaalsContact C-N 3.31Å; L374-F377 PolarHBondContact O-N 2.96Å; L374-F377 VanDerWaalsContact O-N 3.17Å; L374-T378 PolarHBondContact O-N 3.33Å; L374-T378 PolarHBondContact O-OG1 2.95Å
375	H	39.3	Very low	39.2	Very low	111 Å²	111	119.8 Å²	119.8	51%	0.514	57%	0.57	S	S	.	*	H	α-helix	trans	-67.2	-31.8	173.6	-77.5	139.6	0	0	0	112.2	I371 L373 F377 T378	I371-H375 WeakPolarHBondContact CG2-CE1 3.42Å; I371-H375 WeakPolarHBondContact CG2-ND1 2.87Å; I371-H375 WeakPolarHBondContact O-CB 3.34Å; I371-H375 PolarHBondContact O-N 2.88Å; I371-H375 PolarHBondContact O-ND1 2.86Å; L373-H375 PolarHBondContact O-N 3.29Å; H375-F377 VanDerWaalsContact C-N 3.31Å; H375-T378 WeakPolarHBondContact CA-OG1 3.39Å; H375-T378 PolarHBondContact O-OG1 3.11Å
376	Q	36.6	Very low	38.1	Very low	96 Å²	96	120.6 Å²	120.6	45%	0.449	57%	0.572	S	S	.	*	H	α-helix	trans	-66.9	-33.4	170.8	-75.4	168.1	9.3	0	0	111.6	N372 L373 L374 C386	N372-Q376 WeakPolarHBondContact O-CB 3.49Å; N372-Q376 WeakPolarHBondContact O-CG 3.14Å; N372-Q376 PolarHBondContact O-N 2.95Å; L373-Q376 WeakPolarHBondContact O-CA 3.45Å; L373-Q376 WeakPolarHBondContact O-CB 3.36Å; L373-Q376 PolarHBondContact O-N 3.39Å; L373-Q376 VanDerWaalsContact O-N 3.11Å; L374-Q376 VanDerWaalsContact C-N 3.31Å; Q376-C386 PolarHBondContact NE2-SG 3.2Å; Q376-C386 VanDerWaalsContact NE2-SG 3.37Å
377	F	40.5	Very low	37.1	Very low	149 Å²	149	117.1 Å²	117.1	65%	0.654	57%	0.566	S	S	*	*	H	α-helix	trans	-81.2	-25.9	179.1	-66.9	-61	0	0	0	114.6	L373 L374 H375	L373-F377 VanDerWaalsContact C-CD2 3.47Å; L373-F377 HydrophobicContact CB-CE2 4.08Å; L373-F377 WeakPolarHBondContact O-CD2 3.48Å; L373-F377 WeakPolarHBondContact O-CE2 3.31Å; L373-F377 WeakPolarHBondContact O-CG 3.39Å; L373-F377 PolarHBondContact O-N 2.94Å; L374-F377 PolarHBondContact O-N 2.96Å; L374-F377 VanDerWaalsContact O-N 3.17Å; H375-F377 VanDerWaalsContact C-N 3.31Å
378	T	35.4	Very low	36	Very low	101 Å²	101	122.1 Å²	122.1	62%	0.62	59%	0.587	S	S	*	*	H	α-helix	trans	-88.7	-10.4	-175.7	42.9	0	0	0	0	114.6	L374 H375 P380	L374-T378 PolarHBondContact O-N 3.33Å; L374-T378 PolarHBondContact O-OG1 2.95Å; H375-T378 WeakPolarHBondContact CA-OG1 3.39Å; H375-T378 PolarHBondContact O-OG1 3.11Å; T378-P380 VanDerWaalsContact O-CD 3.3Å; T378-P380 WeakPolarHBondContact O-CD 3Å
379	K	26.8	Very low	35.1	Very low	160 Å²	160	124.1 Å²	124.1	70%	0.696	60%	0.596	S	S	*	*	S	Bend	trans	-87	111.2	170.5	-73.8	-175.7	179.2	178.9	0	109.4	Q381	K379-Q381 PolarHBondContact O-N 3.17Å
380	P	36.7	Very low	33.9	Very low	121 Å²	121	129.6 Å²	129.6	79%	0.786	61%	0.613	S	S	*	*			trans	-81.9	63.4	178.2	35.4	-32.8	0	0	0	108.7	T378	T378-P380 VanDerWaalsContact O-CD 3.3Å; T378-P380 WeakPolarHBondContact O-CD 3Å
381	Q	26.9	Very low	32.8	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	63%	0.633	S	S	*	*	S	Bend	trans	-168.5	118.6	164.2	-108.4	161.3	33.6	0	0	112	K379	K379-Q381 PolarHBondContact O-N 3.17Å
382	R	23.6	Very low	31.9	Very low	236 Å²	236	135 Å²	135	89%	0.891	65%	0.649	S	S	*	*			trans	83.8	83.5	161.1	-60.5	-171.9	172.5	168.4	-0.8	118
383	L	26	Very low	31.1	Very low	146 Å²	146	136.2 Å²	136.2	76%	0.764	66%	0.659	S	S	*	*				5	134.4	118.5	-112.9	92.9	0	0	0	117.2
384	R	32.8	Very low	30.2	Very low	216 Å²	216	141.1 Å²	141.1	82%	0.815	69%	0.685	S	S	*	*			trans	77.5	97.9	163.2	-52.3	178.6	-169.2	-163.1	3	114.7
385	D	29.5	Very low	29.4	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	70%	0.703	S	S	*	*			trans	172.6	-1.8	135.7	-85.7	-18.2	0	0	0	115.9	T387	D385-T387 PolarHBondContact O-N 2.9Å
386	C	28.1	Very low	28.8	Very low	76 Å²	76	141.4 Å²	141.4	51%	0.514	72%	0.716	S	S	.	*	G	3₁₀ helix	trans	-82.7	0.8	-169.9	-70.9	0	0	0	0	117.6	Q376	Q376-C386 PolarHBondContact NE2-SG 3.2Å; Q376-C386 VanDerWaalsContact NE2-SG 3.37Å
387	T	27.7	Very low	28.2	Very low	68 Å²	68	144.3 Å²	144.3	42%	0.417	73%	0.733	S	S	.	*	G	3₁₀ helix	trans	-91.3	3.9	176.1	29	0	0	0	0	117	D385 I389 I540	D385-T387 PolarHBondContact O-N 2.9Å; T387-I389 VanDerWaalsContact C-N 3.3Å; T387-I389 PolarHBondContact O-N 3.36Å; T387-I540 WeakPolarHBondContact CB-O 3.44Å; T387-I540 HydrophobicContact CG2-CG2 4.47Å; T387-I540 WeakPolarHBondContact CG2-O 3.34Å; T387-I540 PolarHBondContact OG1-O 2.78Å
388	K	28.2	Very low	27.5	Very low	184 Å²	184	146.2 Å²	146.2	80%	0.8	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-74.4	-15.3	169.7	-78.4	-178.3	178.6	171.8	0	114.5
389	I	28.9	Very low	27	Very low	126 Å²	126	144.1 Å²	144.1	65%	0.646	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-88.4	-15.1	-172.6	-58.3	178.3	0	0	0	113.4	T387 K391 S392	T387-I389 VanDerWaalsContact C-N 3.3Å; T387-I389 PolarHBondContact O-N 3.36Å; I389-K391 VanDerWaalsContact C-N 3.3Å; I389-K391 PolarHBondContact O-N 3.23Å; I389-S392 PolarHBondContact O-OG 3.17Å
390	R	25.6	Very low	26.8	Very low	216 Å²	216	143.7 Å²	143.7	82%	0.815	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-78.5	-3.6	-175.1	-130.7	176.8	-173.2	169.7	2.3	115.7
391	K	24.4	Very low	26.4	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-89.6	-10.6	176.4	-92.5	-171.2	176.9	-177	0	115	I389	I389-K391 VanDerWaalsContact C-N 3.3Å; I389-K391 PolarHBondContact O-N 3.23Å
392	S	28	Very low	26.3	Very low	89 Å²	89	141.1 Å²	141.1	62%	0.622	75%	0.748	S	S	*	*	S	Bend	trans	-92.3	-11.5	-173.9	57	0	0	0	0	115.8	I389	I389-S392 PolarHBondContact O-OG 3.17Å
393	T	26.7	Very low	26.5	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	73%	0.734	S	S	*	*	S	Bend	trans	-116.2	9.1	-172.8	18.8	0	0	0	0	117.1
394	L	24.1	Very low	26.6	Very low	166 Å²	166	131.1 Å²	131.1	87%	0.869	72%	0.719	S	S	*	*			trans	-138.1	74.6	164.4	-87.7	117.8	0	0	0	111.6
395	P	22.6	Very low	26.2	Very low	121 Å²	121	128.5 Å²	128.5	79%	0.786	71%	0.713	S	S	*	*			trans	-81.7	123.6	164.2	31.6	-25.8	0	0	0	109.2
396	G	27	Very low	26	Very low	76 Å²	76	125.1 Å²	125.1	78%	0.784	70%	0.697	S	S	*	*	S	Bend	trans	135.2	7.2	152.2	0	0	0	0	0	120.8
397	L	24	Very low	25.9	Very low	156 Å²	156	126 Å²	126	82%	0.817	70%	0.695	S	S	*	*	S	Bend	trans	-127.4	11.2	-178.7	-105.7	138	0	0	0	116.4
398	L	24.1	Very low	26	Very low	190 Å²	190	126.1 Å²	126.1	100%	0.995	70%	0.696	S	S	*	*	S	Bend	trans	-115.6	70.4	174.7	-72.6	164.8	0	0	0	110.1
399	G	24.9	Very low	25.9	Very low	57 Å²	57	120.7 Å²	120.7	59%	0.588	68%	0.676	S	S	*	*			trans	179.9	89.1	175.4	0	0	0	0	0	109.6
400	D	24.2	Very low	25.9	Very low	150 Å²	150	118.6 Å²	118.6	80%	0.802	67%	0.669	S	S	*	*				160.2	125.3	129.1	-76.8	-17.9	0	0	0	112.2	N402	D400-N402 VanDerWaalsContact C-N 3.26Å; D400-N402 PolarHBondContact O-N 2.86Å
401	S	28.1	Very low	26.1	Very low	117 Å²	117	109.8 Å²	109.8	82%	0.818	64%	0.64	S	S	*	*	S	Bend	trans	-0.9	26.5	160.1	60.3	0	0	0	0	124.1
402	N	24.1	Very low	26.3	Very low	124 Å²	124	104.2 Å²	104.2	66%	0.663	62%	0.619	S	S	*	*			trans	-130	71.8	166.5	-84.9	-35.4	0	0	0	110.7	D400 L404 T406	D400-N402 VanDerWaalsContact C-N 3.26Å; D400-N402 PolarHBondContact O-N 2.86Å; N402-L404 VanDerWaalsContact C-N 3.28Å; N402-L404 PolarHBondContact O-N 2.97Å; N402-T406 PolarHBondContact O-OG1 3.11Å
403	S	28.7	Very low	26.4	Very low	88 Å²	88	104.2 Å²	104.2	62%	0.615	61%	0.611	S	S	*	*	H	α-helix	trans	-65	-20	-173.9	46.9	0	0	0	0	115.4	T406 M407	S403-T406 WeakPolarHBondContact CA-OG1 2.7Å; S403-T406 PolarHBondContact O-OG1 2.99Å; S403-M407 PolarHBondContact O-N 2.82Å
404	L	26.3	Very low	26.6	Very low	84 Å²	84	104.3 Å²	104.3	44%	0.44	60%	0.602	S	S	.	*	H	α-helix	trans	-78.9	-40.1	-178	-78.3	163	0	0	0	113.3	N402 N635	N402-L404 VanDerWaalsContact C-N 3.28Å; N402-L404 PolarHBondContact O-N 2.97Å; L404-N635 WeakPolarHBondContact CD1-OD1 3.2Å; L404-N635 WeakPolarHBondContact CD2-OD1 3.08Å
405	K	25.2	Very low	26.9	Very low	161 Å²	161	97.7 Å²	97.7	70%	0.7	57%	0.568	S	S	*	*	H	α-helix	trans	-75	-40.3	-179.7	-144.7	169.4	-175	177.2	0	110.5	M407 D409	K405-M407 PolarHBondContact O-N 3.02Å; K405-D409 WeakPolarHBondContact O-CB 3.42Å; K405-D409 PolarHBondContact O-N 3.44Å
406	T	26.4	Very low	27.2	Very low	62 Å²	62	95.9 Å²	95.9	38%	0.38	55%	0.551	S	S	.	*	H	α-helix	trans	-67.4	-27.8	178.5	41.7	0	0	0	0	114.3	N402 S403 V410	N402-T406 PolarHBondContact O-OG1 3.11Å; S403-T406 WeakPolarHBondContact CA-OG1 2.7Å; S403-T406 PolarHBondContact O-OG1 2.99Å; T406-V410 WeakPolarHBondContact O-CA 2.92Å; T406-V410 WeakPolarHBondContact O-CB 3.04Å; T406-V410 WeakPolarHBondContact O-CG2 3.33Å; T406-V410 PolarHBondContact O-N 2.76Å
407	M	25.4	Very low	27.3	Very low	95 Å²	95	96 Å²	96	47%	0.468	54%	0.539	S	S	.	.	H	α-helix	trans	-82.6	-37.6	177.7	-91.2	-170.8	72.5	0	0	114.4	S403 K405 D409 V410 S411	S403-M407 PolarHBondContact O-N 2.82Å; K405-M407 PolarHBondContact O-N 3.02Å; M407-D409 VanDerWaalsContact C-N 3.33Å; M407-V410 PolarHBondContact O-N 3.07Å; M407-S411 PolarHBondContact O-N 2.91Å; M407-S411 PolarHBondContact O-OG 3.12Å; M407-S411 VanDerWaalsContact O-OG 3.07Å
408	V	29.3	Very low	27.5	Very low	70 Å²	70	89.6 Å²	89.6	42%	0.424	51%	0.506	S	S	.	.	H	α-helix	trans	-67	-42.7	172.5	176.4	0	0	0	0	109	S411 L412	V408-S411 PolarHBondContact O-N 3.11Å; V408-L412 HydrophobicContact CG1-CD1 3.89Å; V408-L412 WeakPolarHBondContact O-CB 3.4Å; V408-L412 WeakPolarHBondContact O-CG 3.26Å; V408-L412 PolarHBondContact O-N 3.24Å
409	D	26.2	Very low	27.7	Very low	71 Å²	71	88.1 Å²	88.1	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-40.5	170.7	-70.4	-22.6	0	0	0	110.7	K405 M407 S411 L412 I413	K405-D409 WeakPolarHBondContact O-CB 3.42Å; K405-D409 PolarHBondContact O-N 3.44Å; M407-D409 VanDerWaalsContact C-N 3.33Å; D409-S411 PolarHBondContact O-N 3.45Å; D409-L412 PolarHBondContact O-N 3.05Å; D409-I413 HydrophobicContact CB-CD1 3.77Å; D409-I413 HydrophobicContact CB-CG1 4.43Å; D409-I413 VanDerWaalsContact O-CA 3.28Å; D409-I413 WeakPolarHBondContact O-CA 3.17Å; D409-I413 WeakPolarHBondContact O-CB 3.49Å; D409-I413 WeakPolarHBondContact O-CD1 3.08Å; D409-I413 WeakPolarHBondContact O-CG1 3.42Å; D409-I413 PolarHBondContact O-N 3.26Å
410	V	29.4	Very low	27.9	Very low	82 Å²	82	90.1 Å²	90.1	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-67.5	-34.3	176.6	165	0	0	0	0	111.4	T406 M407 F414	T406-V410 WeakPolarHBondContact O-CA 2.92Å; T406-V410 WeakPolarHBondContact O-CB 3.04Å; T406-V410 WeakPolarHBondContact O-CG2 3.33Å; T406-V410 PolarHBondContact O-N 2.76Å; M407-V410 PolarHBondContact O-N 3.07Å; V410-F414 WeakPolarHBondContact O-CA 3.48Å; V410-F414 WeakPolarHBondContact O-CB 3.5Å; V410-F414 PolarHBondContact O-N 3.47Å
411	S	29.7	Very low	28.2	Very low	31 Å²	31	87.6 Å²	87.6	22%	0.217	47%	0.474	C	S	.	.	H	α-helix	trans	-73.8	-39.7	176.5	-56.2	0	0	0	0	111.9	M407 V408 D409 L415	M407-S411 PolarHBondContact O-N 2.91Å; M407-S411 PolarHBondContact O-OG 3.12Å; M407-S411 VanDerWaalsContact O-OG 3.07Å; V408-S411 PolarHBondContact O-N 3.11Å; D409-S411 PolarHBondContact O-N 3.45Å; S411-L415 VanDerWaalsContact O-CB 3.31Å; S411-L415 WeakPolarHBondContact O-CB 3.32Å; S411-L415 WeakPolarHBondContact O-CD1 3.1Å; S411-L415 WeakPolarHBondContact O-CG 3.21Å; S411-L415 PolarHBondContact O-N 3.08Å
412	L	28.6	Very low	28.3	Very low	86 Å²	86	83.9 Å²	83.9	45%	0.45	45%	0.445	S	S	.	.	H	α-helix	trans	-72.4	-38.5	175.3	-76.9	167.5	0	0	0	112.4	V408 D409 L415 D416	V408-L412 HydrophobicContact CG1-CD1 3.89Å; V408-L412 WeakPolarHBondContact O-CB 3.4Å; V408-L412 WeakPolarHBondContact O-CG 3.26Å; V408-L412 PolarHBondContact O-N 3.24Å; D409-L412 PolarHBondContact O-N 3.05Å; L412-L415 CarbonylContact O-C 3.58Å; L412-L415 PolarHBondContact O-N 3.31Å; L412-D416 WeakPolarHBondContact O-CA 3.49Å; L412-D416 WeakPolarHBondContact O-CB 3.4Å; L412-D416 VanDerWaalsContact O-CG 3.26Å; L412-D416 PolarHBondContact O-N 3.01Å
413	I	29.5	Very low	28.8	Very low	88 Å²	88	81.7 Å²	81.7	45%	0.451	43%	0.433	S	S	.	.	H	α-helix	trans	-71.9	-34.9	172.6	-65.4	165.7	0	0	0	109.5	D409 C417	D409-I413 HydrophobicContact CB-CD1 3.77Å; D409-I413 HydrophobicContact CB-CG1 4.43Å; D409-I413 VanDerWaalsContact O-CA 3.28Å; D409-I413 WeakPolarHBondContact O-CA 3.17Å; D409-I413 WeakPolarHBondContact O-CB 3.49Å; D409-I413 WeakPolarHBondContact O-CD1 3.08Å; D409-I413 WeakPolarHBondContact O-CG1 3.42Å; D409-I413 PolarHBondContact O-N 3.26Å; I413-C417 VanDerWaalsContact CG2-SG 3.55Å; I413-C417 WeakPolarHBondContact O-CA 3.43Å; I413-C417 WeakPolarHBondContact O-CB 3.41Å; I413-C417 PolarHBondContact O-N 2.69Å; I413-C417 PolarHBondContact O-SG 3.14Å
414	F	30.6	Very low	29	Very low	115 Å²	115	81.1 Å²	81.1	50%	0.504	43%	0.427	S	S	.	.	H	α-helix	trans	-70.1	-38.8	174.3	-153.5	-99.7	0	0	0	109.7	V410 L418	V410-F414 WeakPolarHBondContact O-CA 3.48Å; V410-F414 WeakPolarHBondContact O-CB 3.5Å; V410-F414 PolarHBondContact O-N 3.47Å; F414-L418 HydrophobicContact CD1-CD1 3.68Å; F414-L418 HydrophobicContact CD1-CG 4.44Å; F414-L418 HydrophobicContact CE1-CD1 4.02Å; F414-L418 WeakPolarHBondContact O-CB 3.3Å; F414-L418 VanDerWaalsContact O-CD1 3.25Å; F414-L418 WeakPolarHBondContact O-CD1 3.42Å; F414-L418 WeakPolarHBondContact O-CG 3.29Å; F414-L418 PolarHBondContact O-N 2.7Å
415	L	30	Very low	29.4	Very low	27 Å²	27	80.1 Å²	80.1	14%	0.141	42%	0.424	C	S	.	.	H	α-helix	trans	-72	-36.1	172.4	-81.5	156.7	0	0	0	113.7	S411 L412 L418 K419 L650 I654	S411-L415 VanDerWaalsContact O-CB 3.31Å; S411-L415 WeakPolarHBondContact O-CB 3.32Å; S411-L415 WeakPolarHBondContact O-CD1 3.1Å; S411-L415 WeakPolarHBondContact O-CG 3.21Å; S411-L415 PolarHBondContact O-N 3.08Å; L412-L415 CarbonylContact O-C 3.58Å; L412-L415 PolarHBondContact O-N 3.31Å; L415-L418 CarbonylContact O-C 3.49Å; L415-L418 VanDerWaalsContact O-C 3.29Å; L415-L418 WeakPolarHBondContact O-CA 3.45Å; L415-L418 WeakPolarHBondContact O-CB 3.43Å; L415-L418 PolarHBondContact O-N 3.49Å; L415-K419 PolarHBondContact O-N 3.12Å; L415-L650 HydrophobicContact CD1-CD1 4.46Å; L415-L650 HydrophobicContact CD1-CD2 3.63Å; L415-L650 HydrophobicContact CD2-CD2 4.44Å; L415-I654 HydrophobicContact CD2-CD1 4.2Å
416	D	30.1	Very low	29.5	Very low	83 Å²	83	73.6 Å²	73.6	44%	0.444	40%	0.402	S	S	.	.	H	α-helix	trans	-76.4	-34.4	176.1	-82.4	-22.7	0	0	0	111.5	L412 K419	L412-D416 WeakPolarHBondContact O-CA 3.49Å; L412-D416 WeakPolarHBondContact O-CB 3.4Å; L412-D416 VanDerWaalsContact O-CG 3.26Å; L412-D416 PolarHBondContact O-N 3.01Å; D416-K419 VanDerWaalsContact O-CB 3.26Å; D416-K419 WeakPolarHBondContact O-CB 2.94Å; D416-K419 PolarHBondContact O-N 2.49Å; D416-K419 WeakPolarHBondContact OD1-CD 3.46Å; D416-K419 WeakPolarHBondContact OD1-CE 3.46Å; D416-K419 IonicContact OD1-NZ 2.79Å; D416-K419 PolarHBondContact OD1-NZ 2.8Å
417	C	27.5	Very low	29.6	Very low	78 Å²	78	75.9 Å²	75.9	53%	0.527	42%	0.419	S	S	.	.	H	α-helix	trans	-70	-24.1	165.9	-70.3	0	0	0	0	111.1	I413 K419 L420	I413-C417 VanDerWaalsContact CG2-SG 3.55Å; I413-C417 WeakPolarHBondContact O-CA 3.43Å; I413-C417 WeakPolarHBondContact O-CB 3.41Å; I413-C417 PolarHBondContact O-N 2.69Å; I413-C417 PolarHBondContact O-SG 3.14Å; C417-K419 VanDerWaalsContact C-N 3.35Å; C417-L420 WeakPolarHBondContact O-CD1 3.46Å; C417-L420 WeakPolarHBondContact O-CG 3.32Å
418	L	29.3	Very low	29.8	Very low	23 Å²	23	79 Å²	79	12%	0.12	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.4	169.6	-73.3	165.9	0	0	0	113.4	F414 L415 L420 Y582 L586	F414-L418 HydrophobicContact CD1-CD1 3.68Å; F414-L418 HydrophobicContact CD1-CG 4.44Å; F414-L418 HydrophobicContact CE1-CD1 4.02Å; F414-L418 WeakPolarHBondContact O-CB 3.3Å; F414-L418 VanDerWaalsContact O-CD1 3.25Å; F414-L418 WeakPolarHBondContact O-CD1 3.42Å; F414-L418 WeakPolarHBondContact O-CG 3.29Å; F414-L418 PolarHBondContact O-N 2.7Å; L415-L418 CarbonylContact O-C 3.49Å; L415-L418 VanDerWaalsContact O-C 3.29Å; L415-L418 WeakPolarHBondContact O-CA 3.45Å; L415-L418 WeakPolarHBondContact O-CB 3.43Å; L415-L418 PolarHBondContact O-N 3.49Å; L418-L420 PolarHBondContact O-N 2.93Å; L418-Y582 HydrophobicContact CD1-CD2 4.32Å; L418-Y582 HydrophobicContact CD1-CG 4.31Å; L418-L586 HydrophobicContact CD2-CD1 4.19Å
419	K	27.2	Very low	29.9	Very low	159 Å²	159	80.3 Å²	80.3	69%	0.691	44%	0.436	S	S	*	.			trans	-64.5	9.8	158.5	-69.6	174	170.6	157.9	0	112.5	L415 D416 C417 D421	L415-K419 PolarHBondContact O-N 3.12Å; D416-K419 VanDerWaalsContact O-CB 3.26Å; D416-K419 WeakPolarHBondContact O-CB 2.94Å; D416-K419 PolarHBondContact O-N 2.49Å; D416-K419 WeakPolarHBondContact OD1-CD 3.46Å; D416-K419 WeakPolarHBondContact OD1-CE 3.46Å; D416-K419 IonicContact OD1-NZ 2.79Å; D416-K419 PolarHBondContact OD1-NZ 2.8Å; C417-K419 VanDerWaalsContact C-N 3.35Å; K419-D421 PolarHBondContact O-N 2.91Å; K419-D421 VanDerWaalsContact O-N 3.12Å
420	L	30.3	Very low	30.4	Very low	99 Å²	99	78.1 Å²	78.1	52%	0.518	43%	0.428	S	S	.	.	S	Bend	trans	-52.1	109	155.2	-77.1	163.2	0	0	0	109.2	C417 L418 I422	C417-L420 WeakPolarHBondContact O-CD1 3.46Å; C417-L420 WeakPolarHBondContact O-CG 3.32Å; L418-L420 PolarHBondContact O-N 2.93Å; L420-I422 PolarHBondContact O-N 2.91Å
421	D	29.5	Very low	30.8	Very low	96 Å²	96	78.6 Å²	78.6	51%	0.513	43%	0.425	S	S	.	.			trans	-27.4	87	179	-78.1	-43.2	0	0	0	114.8	K419 N423 T424	K419-D421 PolarHBondContact O-N 2.91Å; K419-D421 VanDerWaalsContact O-N 3.12Å; D421-N423 HydrophobicContact CB-CB 4.42Å; D421-N423 PolarHBondContact O-N 3.22Å; D421-T424 PolarHBondContact O-N 2.97Å; D421-T424 PolarHBondContact O-OG1 2.88Å
422	I	31.9	Very low	31.3	Very low	39 Å²	39	78.2 Å²	78.2	20%	0.2	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-57.3	-22.2	173.9	-66.5	161.2	0	0	0	111.3	L420 T424 V425 Y582 N658	L420-I422 PolarHBondContact O-N 2.91Å; I422-T424 PolarHBondContact O-N 3.01Å; I422-V425 WeakPolarHBondContact O-CA 3.42Å; I422-V425 PolarHBondContact O-N 3.47Å; I422-Y582 HydrophobicContact CD1-CE1 3.57Å; I422-Y582 WeakPolarHBondContact CD1-OH 3.5Å; I422-Y582 HydrophobicContact CG1-CE1 3.99Å; I422-N658 VanDerWaalsContact CB-OD1 3.26Å; I422-N658 WeakPolarHBondContact CB-OD1 3.42Å; I422-N658 WeakPolarHBondContact CD1-OD1 3.21Å; I422-N658 HydrophobicContact CG2-CB 4.36Å; I422-N658 WeakPolarHBondContact CG2-OD1 3.3Å
423	N	32.8	Very low	32	Very low	78 Å²	78	78.4 Å²	78.4	42%	0.417	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-53	-16.3	168.5	-100.8	-14.4	0	0	0	115	M348 R352 D421	M348-N423 HydrophobicContact CE-CB 3.28Å; M348-N423 VanDerWaalsContact CE-O 3.29Å; M348-N423 WeakPolarHBondContact CE-O 3.4Å; M348-N423 HydrophobicContact SD-CB 3.5Å; M348-N423 VanDerWaalsContact SD-CB 3.5Å; M348-N423 PolarHBondContact SD-ND2 3.28Å; R352-N423 PolarHBondContact NH2-O 2.93Å; D421-N423 HydrophobicContact CB-CB 4.42Å; D421-N423 PolarHBondContact O-N 3.22Å
424	T	33.6	Very low	32.6	Very low	77 Å²	77	77.1 Å²	77.1	47%	0.472	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-76.4	-25.2	167.4	51.6	0	0	0	0	113.8	L355 D421 I422 G426	L355-T424 HydrophobicContact CD1-CG2 3.71Å; D421-T424 PolarHBondContact O-N 2.97Å; D421-T424 PolarHBondContact O-OG1 2.88Å; I422-T424 PolarHBondContact O-N 3.01Å; T424-G426 PolarHBondContact O-N 3.15Å
425	V	33.9	Very low	33.3	Very low	63 Å²	63	75.3 Å²	75.3	38%	0.382	42%	0.415	S	S	.	.	S	Bend	trans	-95.5	70.2	176.5	-161.4	0	0	0	0	108.5	I422	I422-V425 WeakPolarHBondContact O-CA 3.42Å; I422-V425 PolarHBondContact O-N 3.47Å
426	G	28.2	Very low	33.9	Very low	24 Å²	24	81.6 Å²	81.6	25%	0.247	45%	0.447	C	S	.	.			trans	-56.3	168.5	-179.2	0	0	0	0	0	113.7	T424 W428	T424-G426 PolarHBondContact O-N 3.15Å; G426-W428 PolarHBondContact O-N 3.28Å; G426-W428 PolarHBondContact O-NE1 3.24Å
427	C	28.7	Very low	34.8	Very low	109 Å²	109	82.9 Å²	82.9	74%	0.736	45%	0.454	S	S	*	.			trans	-63.3	104.5	175.8	-56.9	0	0	0	0	110.8
428	W	30.2	Very low	36.1	Very low	160 Å²	160	79.8 Å²	79.8	61%	0.606	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-93.9	143.7	168.5	-58.8	72.4	0	0	0	108.3	G426 A430	G426-W428 PolarHBondContact O-N 3.28Å; G426-W428 PolarHBondContact O-NE1 3.24Å; W428-A430 PolarHBondContact O-N 3.28Å
429	P	29.7	Very low	37.5	Very low	99 Å²	99	82.2 Å²	82.2	64%	0.643	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-59.4	122.5	171.7	-16.3	28.2	0	0	0	109.9
430	A	38.1	Very low	39.5	Very low	25 Å²	25	78 Å²	78	21%	0.207	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-85.7	122.8	176	0	0	0	0	0	110.1	W428 R592	W428-A430 PolarHBondContact O-N 3.28Å; A430-R592 HydrophobicContact CB-CB 4.34Å; A430-R592 HydrophobicContact CB-CG 4.34Å; A430-R592 PolarHBondContact O-NH2 3.45Å
431	H	38.3	Very low	41.5	Very low	92 Å²	92	73.6 Å²	73.6	43%	0.426	41%	0.407	S	S	.	.			trans	-104.9	133.6	175	-61.3	-72.2	0	0	0	110
432	T	38.4	Very low	44.2	Very low	22 Å²	22	69.4 Å²	69.4	14%	0.135	39%	0.385	C	S	.	.	S	Bend	trans	-81.1	-27.7	-175.2	-33.8	0	0	0	0	112.6	F468 Y685 L686	T432-F468 HydrophobicContact CG2-CZ 4.16Å; T432-Y685 PolarHBondContact OG1-O 3.39Å; T432-L686 HydrophobicContact CG2-CD2 4.08Å
433	L	44.6	Very low	46.8	Very low	91 Å²	91	67.8 Å²	67.8	48%	0.476	38%	0.376	S	S	.	.	S	Bend	trans	-107.8	151.5	-177.9	-71.9	163.8	0	0	0	110.9	N435 Y467	L433-N435 PolarHBondContact O-N 3.34Å; L433-Y467 HydrophobicContact CD2-CD1 4.29Å
434	P	40.9	Very low	49.5	Very low	60 Å²	60	64 Å²	64	39%	0.39	36%	0.356	S	S	.	.			trans	-57	130.9	178.9	-12	19.7	0	0	0	111.5	P441	P434-P441 HydrophobicContact CB-CG 4.25Å; P434-P441 HydrophobicContact CG-CG 3.82Å
435	N	45.9	Very low	52.3	Low	77 Å²	77	60.4 Å²	60.4	41%	0.412	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-140.1	167.7	170.5	-171.3	12.1	0	0	0	109.2	L433 D437 T438	L433-N435 PolarHBondContact O-N 3.34Å; N435-D437 PolarHBondContact O-N 2.83Å; N435-T438 PolarHBondContact N-O 3.17Å; N435-T438 CarbonylContact O-C 3.43Å; N435-T438 PolarHBondContact O-N 3.17Å
436	I	42.4	Very low	54.9	Low	159 Å²	159	57.4 Å²	57.4	82%	0.815	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-36.3	177.1	-66.8	166	0	0	0	111.8
437	D	48.3	Very low	57.7	Low	111 Å²	111	56.2 Å²	56.2	59%	0.594	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.5	-179.3	-60.4	-43.2	0	0	0	114.7	N435	N435-D437 PolarHBondContact O-N 2.83Å
438	T	56.5	Low	60.4	Low	13 Å²	13	51.1 Å²	51.1	8%	0.08	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-139.6	74.4	-177.1	46	0	0	0	0	110.5	N435 Y440 K590	N435-T438 PolarHBondContact N-O 3.17Å; N435-T438 CarbonylContact O-C 3.43Å; N435-T438 PolarHBondContact O-N 3.17Å; T438-Y440 PolarHBondContact O-N 2.98Å; T438-K590 HydrophobicContact CG2-CD 4.46Å
439	P	58	Low	62.6	Low	74 Å²	74	45.8 Å²	45.8	48%	0.481	25%	0.254	S	S	.	.	S	Bend	trans	-68.4	-20.8	-176.4	26.4	-34.6	0	0	0	113.6	P441	P439-P441 WeakPolarHBondContact O-CD 3.45Å
440	Y	69.4	Low	64.7	Low	70 Å²	70	41.9 Å²	41.9	28%	0.275	23%	0.232	S	C	.	.	S	Bend	trans	-120.3	79.8	-178.9	-54.8	-68.6	0	0	0	110.4	T438 I442 W559 L562 E563 A566 L589	T438-Y440 PolarHBondContact O-N 2.98Å; Y440-I442 PolarHBondContact O-N 3.17Å; Y440-W559 HydrophobicContact CD2-CZ3 4.44Å; Y440-W559 HydrophobicContact CE2-CZ3 4.11Å; Y440-L562 HydrophobicContact CD1-CD1 4.48Å; Y440-L562 HydrophobicContact CD1-CD2 4.08Å; Y440-L562 HydrophobicContact CD1-CG 3.78Å; Y440-L562 HydrophobicContact CG-CD2 4Å; Y440-L562 HydrophobicContact CG-CG 4.15Å; Y440-E563 HydrophobicContact CE1-CG 4.25Å; Y440-A566 HydrophobicContact CD1-CB 3.82Å; Y440-A566 HydrophobicContact CE1-CB 4.09Å; Y440-L589 HydrophobicContact CD2-CD2 3.95Å; Y440-L589 HydrophobicContact CG-CD2 4.31Å
441	P	72.9	Confident	66.8	Low	7 Å²	7	41.4 Å²	41.4	5%	0.045	23%	0.225	C	C	.	.			trans	-68	123.4	177.1	25.1	-30	0	0	0	110.3	P434 P439 A571 G572	P434-P441 HydrophobicContact CB-CG 4.25Å; P434-P441 HydrophobicContact CG-CG 3.82Å; P439-P441 WeakPolarHBondContact O-CD 3.45Å; P441-A571 HydrophobicContact CB-CB 3.89Å; P441-A571 HydrophobicContact CG-CB 4.04Å; P441-A571 WeakPolarHBondContact O-CA 3.3Å; P441-G572 PolarHBondContact O-N 3.38Å
442	I	84.5	Confident	68.8	Low	8 Å²	8	40.5 Å²	40.5	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.2	-178.4	-61.3	169.8	0	0	0	108.9	Y440 L471 L562 G572 V574 L584 L589 P591 R592	Y440-I442 PolarHBondContact O-N 3.17Å; I442-L471 HydrophobicContact CD1-CD2 4.36Å; I442-L471 HydrophobicContact CG1-CD2 4.35Å; I442-L471 HydrophobicContact CG2-CD2 4.42Å; I442-L562 HydrophobicContact CD1-CD1 3.79Å; I442-L562 HydrophobicContact CD1-CD2 4.09Å; I442-L562 HydrophobicContact CG1-CD1 3.85Å; I442-G572 CarbonylContact C-O 3.6Å; I442-G572 VanDerWaalsContact CA-O 3.31Å; I442-G572 WeakPolarHBondContact CA-O 3.35Å; I442-V574 HydrophobicContact CG2-CG1 3.7Å; I442-L584 HydrophobicContact CD1-CD2 4.31Å; I442-L584 HydrophobicContact CG2-CD1 4.41Å; I442-L589 HydrophobicContact CD1-CB 4.27Å; I442-L589 HydrophobicContact CD1-CD1 3.83Å; I442-L589 HydrophobicContact CD1-CD2 4.48Å; I442-L589 HydrophobicContact CD1-CG 4.42Å; I442-P591 HydrophobicContact CB-CB 3.96Å; I442-P591 HydrophobicContact CG2-CB 3.82Å; I442-P591 CarbonylContact O-C 3.23Å; I442-P591 VanDerWaalsContact O-CA 3.3Å; I442-P591 WeakPolarHBondContact O-CA 3.38Å; I442-R592 PolarHBondContact O-N 3.28Å
443	L	86.9	Confident	71.1	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113	167.5	-175.1	69	0	0	0	108.8	F468 G572 I573 V574 R592 I594 I682	L443-F468 HydrophobicContact CB-CE1 4.12Å; L443-F468 HydrophobicContact CD2-CE1 4.11Å; L443-F468 HydrophobicContact CD2-CZ 4.35Å; L443-G572 PolarHBondContact N-O 3.08Å; L443-I573 HydrophobicContact CB-CG1 4.27Å; L443-I573 HydrophobicContact CD2-CD1 4.22Å; L443-I573 HydrophobicContact CD2-CG1 4.24Å; L443-I573 CarbonylContact O-C 3.43Å; L443-I573 WeakPolarHBondContact O-CA 3.27Å; L443-V574 PolarHBondContact O-N 2.78Å; L443-R592 CarbonylContact C-O 3.39Å; L443-R592 WeakPolarHBondContact CA-O 3.12Å; L443-R592 HydrophobicContact CD1-CB 4.29Å; L443-R592 HydrophobicContact CD1-CG 4.34Å; L443-I594 HydrophobicContact CD1-CD1 3.74Å; L443-I594 HydrophobicContact CD1-CG1 4.28Å; L443-I594 HydrophobicContact CG-CD1 4.49Å; L443-I682 HydrophobicContact CD2-CD1 3.64Å; L443-I682 HydrophobicContact CD2-CG1 4Å
444	A	90.4	Very high	72.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.6	-179.2	0	0	0	0	0	110.9	I446 V574 L584 P591 R592 S593 I594	A444-I446 HydrophobicContact CB-CD1 4.13Å; A444-I446 HydrophobicContact CB-CG1 4.25Å; A444-V574 WeakPolarHBondContact CA-O 3.09Å; A444-V574 HydrophobicContact CB-CG1 3.84Å; A444-L584 HydrophobicContact CB-CD1 4.5Å; A444-P591 HydrophobicContact CB-CB 4.02Å; A444-R592 PolarHBondContact N-O 3.2Å; A444-S593 CarbonylContact O-C 3.5Å; A444-S593 WeakPolarHBondContact O-CA 3.39Å; A444-I594 PolarHBondContact O-N 3.38Å
445	I	91.7	Very high	74.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.2	172.6	-55.9	168.7	0	0	0	107.7	K453 L460 I573 V574 V575 G576 L678	I445-K453 HydrophobicContact CG2-CB 4.43Å; I445-K453 HydrophobicContact CG2-CD 4.41Å; I445-K453 HydrophobicContact CG2-CG 4.33Å; I445-L460 HydrophobicContact CD1-CD1 3.97Å; I445-I573 HydrophobicContact CD1-CG2 3.79Å; I445-I573 HydrophobicContact CG1-CG2 4.28Å; I445-V574 PolarHBondContact N-O 3.07Å; I445-V575 HydrophobicContact CB-CG1 4.2Å; I445-V575 HydrophobicContact CD1-CG1 4.31Å; I445-V575 WeakPolarHBondContact O-CA 3.32Å; I445-G576 PolarHBondContact O-N 3.35Å; I445-G576 VanDerWaalsContact O-N 3.12Å; I445-L678 HydrophobicContact CD1-CD2 3.89Å
446	I	89.8	Confident	76.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.1	-173.8	-56.2	-58.5	0	0	0	109.4	A444 G576 L578 L580 L581 I594 L595 C596 Y651 F662	A444-I446 HydrophobicContact CB-CD1 4.13Å; A444-I446 HydrophobicContact CB-CG1 4.25Å; I446-G576 WeakPolarHBondContact CA-O 3.3Å; I446-L578 HydrophobicContact CG2-CD2 4.28Å; I446-L580 HydrophobicContact CD1-CD2 4.25Å; I446-L581 HydrophobicContact CD1-CB 3.92Å; I446-L581 HydrophobicContact CG1-CB 4.08Å; I446-L581 HydrophobicContact CG1-CD2 4.31Å; I446-I594 PolarHBondContact N-O 3.21Å; I446-L595 HydrophobicContact CG2-CD1 4.42Å; I446-L595 CarbonylContact O-C 3.29Å; I446-L595 WeakPolarHBondContact O-CA 3.38Å; I446-C596 PolarHBondContact O-N 2.94Å; I446-Y651 HydrophobicContact CG2-CE1 4.14Å; I446-F662 HydrophobicContact CB-CE1 4.1Å; I446-F662 HydrophobicContact CG1-CE1 4.45Å; I446-F662 HydrophobicContact CG2-CE1 3.99Å
447	G	86.8	Confident	78.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.			trans	175.8	173	175.2	0	0	0	0	0	110.8	K453 G576 C596 Y651	G447-K453 WeakPolarHBondContact O-CE 3.32Å; G447-K453 PolarHBondContact O-NZ 3.04Å; G447-G576 PolarHBondContact N-O 3.32Å; G447-G576 VanDerWaalsContact N-O 3.14Å; G447-C596 WeakPolarHBondContact CA-O 3.35Å; G447-Y651 PolarHBondContact O-OH 3.2Å
448	P	84.7	Confident	80.6	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.138	C	C	.	.			trans	-75.9	165.2	-177.8	36.4	-43.3	0	0	0	112.6	I451 K453 C596 Y604 T647 Y651	P448-I451 VanDerWaalsContact CD-CD1 3.48Å; P448-I451 HydrophobicContact CG-CD1 3.61Å; P448-I451 HydrophobicContact CG-CG1 4.31Å; P448-K453 VanDerWaalsContact C-NZ 3.32Å; P448-K453 PolarHBondContact O-NZ 3.2Å; P448-C596 WeakPolarHBondContact CD-O 3.28Å; P448-Y604 VanDerWaalsContact CB-OH 3.27Å; P448-Y604 WeakPolarHBondContact CB-OH 3.12Å; P448-Y604 HydrophobicContact CG-CE1 4.49Å; P448-Y604 HydrophobicContact CG-CE2 4.26Å; P448-T647 VanDerWaalsContact CB-OG1 3.32Å; P448-T647 WeakPolarHBondContact CB-OG1 3.3Å; P448-T647 HydrophobicContact CG-CG2 3.9Å; P448-Y651 HydrophobicContact CB-CE2 3.91Å; P448-Y651 HydrophobicContact CG-CE2 4.49Å
449	V	76.7	Confident	81.8	Confident	49 Å²	49	28.2 Å²	28.2	30%	0.297	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139.4	177.1	-179.9	0	0	0	0	111	E577 Y604 Y643	V449-E577 WeakPolarHBondContact CG2-OE1 3.42Å; V449-E577 PolarHBondContact N-OE1 2.95Å; V449-E577 VanDerWaalsContact N-OE1 3.13Å; V449-Y604 WeakPolarHBondContact O-CE2 3.44Å; V449-Y604 VanDerWaalsContact O-CZ 3.25Å; V449-Y604 PolarHBondContact O-OH 3.25Å; V449-Y643 HydrophobicContact CB-CE1 4.21Å; V449-Y643 HydrophobicContact CG2-CD1 4.39Å; V449-Y643 HydrophobicContact CG2-CE1 3.58Å
450	G	74.5	Confident	83	Confident	16 Å²	16	24.7 Å²	24.7	17%	0.165	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	-18.7	173.5	0	0	0	0	0	115.3	N452	G450-N452 PolarHBondContact O-N 3.16Å
451	I	80.5	Confident	83.6	Confident	15 Å²	15	22.1 Å²	22.1	8%	0.077	11%	0.111	C	C	.	.	S	Bend	trans	-74.9	15.2	178.6	-56.5	179.3	0	0	0	112.9	P448 K453 C596 Y604 L674	P448-I451 VanDerWaalsContact CD-CD1 3.48Å; P448-I451 HydrophobicContact CG-CD1 3.61Å; P448-I451 HydrophobicContact CG-CG1 4.31Å; I451-K453 HydrophobicContact CB-CG 4.37Å; I451-K453 PolarHBondContact O-N 3.25Å; I451-C596 VanDerWaalsContact CD1-O 3.29Å; I451-C596 WeakPolarHBondContact CD1-O 3.08Å; I451-C596 HydrophobicContact CG2-CB 4.16Å; I451-Y604 HydrophobicContact CG1-CE2 4.34Å; I451-L674 HydrophobicContact CG2-CD2 3.37Å
452	N	81.8	Confident	84	Confident	73 Å²	73	27.7 Å²	27.7	39%	0.39	14%	0.137	S	C	.	.			trans	52.2	27.3	179.2	-67.4	-31.4	0	0	0	115.4	G450 R454 Q455 L456 T671	G450-N452 PolarHBondContact O-N 3.16Å; N452-R454 PolarHBondContact O-N 3.47Å; N452-Q455 HydrophobicContact CB-CB 4.35Å; N452-Q455 WeakPolarHBondContact O-CA 3.26Å; N452-Q455 WeakPolarHBondContact O-CB 3.32Å; N452-Q455 PolarHBondContact O-N 3.09Å; N452-L456 PolarHBondContact O-N 3.04Å; N452-L456 VanDerWaalsContact O-N 3.16Å; N452-T671 HydrophobicContact CB-CG2 3.83Å; N452-T671 PolarHBondContact ND2-OG1 3.29Å; N452-T671 VanDerWaalsContact ND2-OG1 3.14Å
453	K	85	Confident	83.5	Confident	23 Å²	23	30.8 Å²	30.8	10%	0.1	15%	0.151	C	C	.	.	H	α-helix	trans	-48	-34.8	-178.4	-58.7	-176	-66.2	-86.8	0	113.7	I445 G447 P448 I451 L456 R457 V575 G576	I445-K453 HydrophobicContact CG2-CB 4.43Å; I445-K453 HydrophobicContact CG2-CD 4.41Å; I445-K453 HydrophobicContact CG2-CG 4.33Å; G447-K453 WeakPolarHBondContact O-CE 3.32Å; G447-K453 PolarHBondContact O-NZ 3.04Å; P448-K453 VanDerWaalsContact C-NZ 3.32Å; P448-K453 PolarHBondContact O-NZ 3.2Å; I451-K453 HydrophobicContact CB-CG 4.37Å; I451-K453 PolarHBondContact O-N 3.25Å; K453-L456 WeakPolarHBondContact O-CB 3.41Å; K453-L456 PolarHBondContact O-N 3.21Å; K453-R457 PolarHBondContact O-N 2.79Å; K453-V575 HydrophobicContact CB-CB 4.03Å; K453-V575 HydrophobicContact CB-CG1 4.23Å; K453-V575 WeakPolarHBondContact O-CG1 3.15Å; K453-G576 VanDerWaalsContact CE-O 3.28Å; K453-G576 WeakPolarHBondContact CE-O 3.41Å
454	R	81.5	Confident	82.9	Confident	67 Å²	67	31.3 Å²	31.3	25%	0.253	15%	0.154	S	C	.	.	H	α-helix	trans	-66.1	-40.6	177.2	-175.1	171	66.5	164.9	-15.7	113	N452 K458 E521 D526	N452-R454 PolarHBondContact O-N 3.47Å; R454-K458 WeakPolarHBondContact O-CG 3.43Å; R454-K458 PolarHBondContact O-N 2.86Å; R454-K458 VanDerWaalsContact O-N 3.07Å; R454-E521 IonicContact CZ-OE1 3.26Å; R454-E521 IonicContact NH1-OE1 2.88Å; R454-E521 PolarHBondContact NH1-OE1 3.14Å; R454-E521 IonicContact NH1-OE2 3.69Å; R454-E521 IonicContact NH2-OE1 3.51Å; R454-E521 PolarHBondContact NH2-OE1 3.31Å; R454-D526 WeakPolarHBondContact CD-OD1 3.33Å; R454-D526 IonicContact CZ-OD1 2.83Å; R454-D526 IonicContact NE-OD1 3.63Å; R454-D526 IonicContact NH1-OD1 2.82Å; R454-D526 PolarHBondContact NH1-OD1 2.77Å
455	Q	81	Confident	82.1	Confident	76 Å²	76	35.8 Å²	35.8	36%	0.355	18%	0.178	S	C	.	.	H	α-helix	trans	-63.4	-47.7	172.5	-74.3	175	-28.1	0	0	109.3	N452 R457 K458 F459	N452-Q455 HydrophobicContact CB-CB 4.35Å; N452-Q455 WeakPolarHBondContact O-CA 3.26Å; N452-Q455 WeakPolarHBondContact O-CB 3.32Å; N452-Q455 PolarHBondContact O-N 3.09Å; Q455-R457 VanDerWaalsContact C-N 3.31Å; Q455-R457 PolarHBondContact O-N 2.68Å; Q455-K458 WeakPolarHBondContact O-CA 3.49Å; Q455-K458 WeakPolarHBondContact O-CB 3.3Å; Q455-K458 PolarHBondContact O-N 3.12Å; Q455-F459 HydrophobicContact CB-CD2 4.16Å; Q455-F459 HydrophobicContact CB-CE2 4.12Å; Q455-F459 WeakPolarHBondContact O-CD2 3.25Å; Q455-F459 PolarHBondContact O-N 2.88Å
456	L	86.4	Confident	80.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-51	-48.8	176.4	-60.2	176	0	0	0	112.2	N452 K453 K458 F459 L460 T671 L674 F675 L678 M699	N452-L456 PolarHBondContact O-N 3.04Å; N452-L456 VanDerWaalsContact O-N 3.16Å; K453-L456 WeakPolarHBondContact O-CB 3.41Å; K453-L456 PolarHBondContact O-N 3.21Å; L456-K458 PolarHBondContact O-N 3.2Å; L456-F459 PolarHBondContact O-N 3.46Å; L456-L460 WeakPolarHBondContact O-CB 3.03Å; L456-L460 VanDerWaalsContact O-CG 3.29Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 3.27Å; L456-T671 HydrophobicContact CD2-CG2 4Å; L456-L674 HydrophobicContact CD1-CD2 3.58Å; L456-L674 HydrophobicContact CD1-CG 4.08Å; L456-F675 HydrophobicContact CD2-CB 3.78Å; L456-F675 HydrophobicContact CD2-CD2 4.35Å; L456-L678 HydrophobicContact CB-CD2 4.23Å; L456-L678 HydrophobicContact CD1-CD2 4.36Å; L456-M699 HydrophobicContact CD2-CE 4.07Å
457	R	89.4	Confident	80.1	Confident	6 Å²	6	45.9 Å²	45.9	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-47.3	174.7	178.1	-174.3	69.1	-161.2	4.2	112.5	K453 Q455 L460 C461 P470 I573 V575	K453-R457 PolarHBondContact O-N 2.79Å; Q455-R457 VanDerWaalsContact C-N 3.31Å; Q455-R457 PolarHBondContact O-N 2.68Å; R457-L460 PolarHBondContact O-N 3.09Å; R457-C461 WeakPolarHBondContact O-CB 3.49Å; R457-C461 PolarHBondContact O-N 3.41Å; R457-C461 PolarHBondContact O-SG 2.87Å; R457-C461 VanDerWaalsContact O-SG 3.37Å; R457-P470 HydrophobicContact CG-CB 4.22Å; R457-I573 HydrophobicContact CB-CG2 4.12Å; R457-I573 WeakPolarHBondContact CD-O 3.27Å; R457-I573 HydrophobicContact CG-CB 3.95Å; R457-I573 HydrophobicContact CG-CG2 3.7Å; R457-V575 HydrophobicContact CB-CG1 3.65Å; R457-V575 HydrophobicContact CG-CG1 4.33Å
458	K	84	Confident	79.7	Confident	68 Å²	68	46.1 Å²	46.1	30%	0.296	23%	0.227	S	C	.	.	H	α-helix	trans	-58.3	-49.7	-179.6	-77.3	-174.4	178.8	-172.3	0	110.8	R454 Q455 L456 C461 Q462 D526	R454-K458 WeakPolarHBondContact O-CG 3.43Å; R454-K458 PolarHBondContact O-N 2.86Å; R454-K458 VanDerWaalsContact O-N 3.07Å; Q455-K458 WeakPolarHBondContact O-CA 3.49Å; Q455-K458 WeakPolarHBondContact O-CB 3.3Å; Q455-K458 PolarHBondContact O-N 3.12Å; L456-K458 PolarHBondContact O-N 3.2Å; K458-C461 PolarHBondContact O-N 2.95Å; K458-Q462 VanDerWaalsContact O-CG 3.3Å; K458-Q462 WeakPolarHBondContact O-CG 3.45Å; K458-Q462 PolarHBondContact O-N 2.77Å; K458-Q462 VanDerWaalsContact O-N 3.07Å; K458-D526 WeakPolarHBondContact CE-OD1 3.49Å; K458-D526 VanDerWaalsContact NZ-CG 3.28Å; K458-D526 IonicContact NZ-OD1 3.83Å; K458-D526 PolarHBondContact NZ-OD1 3.4Å; K458-D526 IonicContact NZ-OD2 2.69Å; K458-D526 PolarHBondContact NZ-OD2 2.87Å; K458-D526 VanDerWaalsContact NZ-OD2 3.07Å
459	F	81.3	Confident	79.5	Confident	36 Å²	36	47.7 Å²	47.7	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-68.2	-38.2	-179.6	-73.3	-74.9	0	0	0	112.5	Q455 L456 Q462 Q463 F675 M699	Q455-F459 HydrophobicContact CB-CD2 4.16Å; Q455-F459 HydrophobicContact CB-CE2 4.12Å; Q455-F459 WeakPolarHBondContact O-CD2 3.25Å; Q455-F459 PolarHBondContact O-N 2.88Å; L456-F459 PolarHBondContact O-N 3.46Å; F459-Q462 WeakPolarHBondContact O-CB 3.23Å; F459-Q462 PolarHBondContact O-N 2.69Å; F459-Q463 WeakPolarHBondContact O-CG 3.13Å; F459-Q463 PolarHBondContact O-N 3.22Å; F459-F675 HydrophobicContact CB-CD2 4.17Å; F459-F675 HydrophobicContact CB-CE2 3.6Å; F459-F675 HydrophobicContact CB-CZ 4.02Å; F459-M699 HydrophobicContact CB-CE 3.37Å; F459-M699 HydrophobicContact CB-SD 4.44Å; F459-M699 HydrophobicContact CD1-CE 4.28Å; F459-M699 HydrophobicContact CD1-SD 4.33Å; F459-M699 HydrophobicContact CD2-CE 3.05Å; F459-M699 HydrophobicContact CD2-CG 4.33Å; F459-M699 HydrophobicContact CD2-SD 3.2Å; F459-M699 WeakPolarHBondContact CD2-SD 3.1Å; F459-M699 HydrophobicContact CE1-SD 4.37Å; F459-M699 HydrophobicContact CE2-CE 3.82Å; F459-M699 HydrophobicContact CE2-CG 4.41Å; F459-M699 HydrophobicContact CE2-SD 3.26Å; F459-M699 WeakPolarHBondContact CE2-SD 3.49Å; F459-M699 HydrophobicContact CG-CE 3.32Å; F459-M699 HydrophobicContact CG-CG 4.36Å; F459-M699 HydrophobicContact CG-SD 3.77Å; F459-M699 HydrophobicContact CZ-SD 3.88Å
460	L	83.2	Confident	80	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-46.3	174.4	-79.9	176.5	0	0	0	112.3	I445 L456 R457 Q462 Q463 L464 I573 F675 L678 L679 I682	I445-L460 HydrophobicContact CD1-CD1 3.97Å; L456-L460 WeakPolarHBondContact O-CB 3.03Å; L456-L460 VanDerWaalsContact O-CG 3.29Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 3.27Å; R457-L460 PolarHBondContact O-N 3.09Å; L460-Q462 PolarHBondContact O-N 2.88Å; L460-Q463 PolarHBondContact O-N 2.91Å; L460-L464 WeakPolarHBondContact O-CB 3.46Å; L460-L464 PolarHBondContact O-N 2.97Å; L460-I573 HydrophobicContact CB-CD1 3.93Å; L460-I573 HydrophobicContact CD1-CD1 4.13Å; L460-F675 HydrophobicContact CD2-CD2 4.37Å; L460-F675 HydrophobicContact CD2-CE2 3.83Å; L460-F675 HydrophobicContact CG-CD2 4.35Å; L460-F675 HydrophobicContact CG-CE2 3.93Å; L460-L678 HydrophobicContact CD1-CD2 3.44Å; L460-L678 VanDerWaalsContact CD1-CD2 3.44Å; L460-L678 HydrophobicContact CD1-CG 3.86Å; L460-L678 HydrophobicContact CD2-CG 4.48Å; L460-L678 HydrophobicContact CG-CD2 4.25Å; L460-L679 HydrophobicContact CD2-CD1 4.32Å; L460-I682 HydrophobicContact CD1-CD1 3.58Å; L460-I682 HydrophobicContact CD2-CD1 3.63Å; L460-I682 HydrophobicContact CG-CD1 4.25Å
461	C	83.4	Confident	80.6	Confident	16 Å²	16	46.6 Å²	46.6	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-23.5	177.1	-68.6	0	0	0	0	112.8	R457 K458 D465 P470	R457-C461 WeakPolarHBondContact O-CB 3.49Å; R457-C461 PolarHBondContact O-N 3.41Å; R457-C461 PolarHBondContact O-SG 2.87Å; R457-C461 VanDerWaalsContact O-SG 3.37Å; K458-C461 PolarHBondContact O-N 2.95Å; C461-D465 VanDerWaalsContact O-CA 3.29Å; C461-D465 WeakPolarHBondContact O-CA 3.46Å; C461-D465 WeakPolarHBondContact O-CB 3.36Å; C461-D465 PolarHBondContact O-N 3.43Å; C461-P470 VanDerWaalsContact SG-CD 3.56Å
462	Q	80.4	Confident	80.9	Confident	124 Å²	124	46.2 Å²	46.2	58%	0.579	22%	0.224	S	C	*	.	H	α-helix	trans	-76.6	-37.4	173	-76	171.7	-12.6	0	0	112.5	K458 F459 L460	K458-Q462 VanDerWaalsContact O-CG 3.3Å; K458-Q462 WeakPolarHBondContact O-CG 3.45Å; K458-Q462 PolarHBondContact O-N 2.77Å; K458-Q462 VanDerWaalsContact O-N 3.07Å; F459-Q462 WeakPolarHBondContact O-CB 3.23Å; F459-Q462 PolarHBondContact O-N 2.69Å; L460-Q462 PolarHBondContact O-N 2.88Å
463	Q	74.4	Confident	81.1	Confident	73 Å²	73	43.7 Å²	43.7	34%	0.341	21%	0.211	S	C	.	.	H	α-helix	trans	-83.1	-28	-179.5	-63.6	-56.2	-33.1	0	0	113.1	F459 L460 F675 M697	F459-Q463 WeakPolarHBondContact O-CG 3.13Å; F459-Q463 PolarHBondContact O-N 3.22Å; L460-Q463 PolarHBondContact O-N 2.91Å; Q463-F675 HydrophobicContact CG-CZ 4.02Å; Q463-M697 HydrophobicContact CG-SD 4.45Å; Q463-M697 PolarHBondContact OE1-SD 3.25Å
464	L	74.4	Confident	81.1	Confident	15 Å²	15	43.1 Å²	43.1	8%	0.079	21%	0.209	C	C	.	.	S	Bend	trans	-126.3	44.5	-175.7	-58.9	174.2	0	0	0	111.3	L460 N466 Y467 F468 L679 I682 L683	L460-L464 WeakPolarHBondContact O-CB 3.46Å; L460-L464 PolarHBondContact O-N 2.97Å; L464-N466 PolarHBondContact O-N 2.96Å; L464-Y467 HydrophobicContact CB-CD2 4.44Å; L464-Y467 HydrophobicContact CD2-CD2 4.45Å; L464-Y467 PolarHBondContact O-N 2.78Å; L464-F468 HydrophobicContact CB-CD2 3.84Å; L464-F468 HydrophobicContact CD1-CD2 4.12Å; L464-F468 HydrophobicContact CD1-CE2 4.08Å; L464-F468 PolarHBondContact O-N 2.99Å; L464-L679 HydrophobicContact CD1-CD1 3.97Å; L464-L679 HydrophobicContact CG-CD1 4.3Å; L464-I682 HydrophobicContact CD1-CB 4.49Å; L464-I682 HydrophobicContact CD1-CG2 3.61Å; L464-L683 HydrophobicContact CD2-CD2 4.29Å
465	D	73.3	Confident	81.1	Confident	94 Å²	94	39.9 Å²	39.9	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.2	-178.4	63.9	-15.4	0	0	0	113.6	C461 Y467	C461-D465 VanDerWaalsContact O-CA 3.29Å; C461-D465 WeakPolarHBondContact O-CA 3.46Å; C461-D465 WeakPolarHBondContact O-CB 3.36Å; C461-D465 PolarHBondContact O-N 3.43Å; D465-Y467 PolarHBondContact O-N 2.81Å
466	N	67.3	Low	81	Confident	125 Å²	125	37.5 Å²	37.5	67%	0.668	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.3	175.2	-67.1	-38.1	0	0	0	114.1	L464 L570	L464-N466 PolarHBondContact O-N 2.96Å; N466-L570 VanDerWaalsContact C-CD2 3.46Å; N466-L570 WeakPolarHBondContact O-CD2 3.34Å
467	Y	71.9	Confident	80.6	Confident	87 Å²	87	39 Å²	39	34%	0.341	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-31.5	-176.7	-59.8	-78.5	0	0	0	112.9	L433 L464 D465 A571 L686 I688	L433-Y467 HydrophobicContact CD2-CD1 4.29Å; L464-Y467 HydrophobicContact CB-CD2 4.44Å; L464-Y467 HydrophobicContact CD2-CD2 4.45Å; L464-Y467 PolarHBondContact O-N 2.78Å; D465-Y467 PolarHBondContact O-N 2.81Å; Y467-A571 PolarHBondContact O-N 3.27Å; Y467-L686 HydrophobicContact CD1-CD1 4.38Å; Y467-L686 HydrophobicContact CD1-CD2 4.11Å; Y467-L686 HydrophobicContact CD2-CD1 4.1Å; Y467-L686 HydrophobicContact CE2-CD1 4.43Å; Y467-L686 HydrophobicContact CG-CD1 4.07Å; Y467-L686 HydrophobicContact CG-CD2 4.44Å; Y467-I688 HydrophobicContact CE2-CD1 4.35Å
468	F	79.5	Confident	79.7	Confident	5 Å²	5	45.5 Å²	45.5	2%	0.022	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.3	-167.4	-68	-74.5	0	0	0	114	T432 L443 L464 A571 I573 I682 L686	T432-F468 HydrophobicContact CG2-CZ 4.16Å; L443-F468 HydrophobicContact CB-CE1 4.12Å; L443-F468 HydrophobicContact CD2-CE1 4.11Å; L443-F468 HydrophobicContact CD2-CZ 4.35Å; L464-F468 HydrophobicContact CB-CD2 3.84Å; L464-F468 HydrophobicContact CD1-CD2 4.12Å; L464-F468 HydrophobicContact CD1-CE2 4.08Å; L464-F468 PolarHBondContact O-N 2.99Å; F468-A571 VanDerWaalsContact CA-O 3.31Å; F468-A571 WeakPolarHBondContact CA-O 3.27Å; F468-A571 HydrophobicContact CD1-CB 3.63Å; F468-A571 HydrophobicContact CE1-CB 3.62Å; F468-I573 HydrophobicContact CB-CD1 3.63Å; F468-I573 HydrophobicContact CB-CG1 3.83Å; F468-I573 HydrophobicContact CD1-CD1 3.78Å; F468-I573 HydrophobicContact CD1-CG1 3.48Å; F468-I573 VanDerWaalsContact CD1-CG1 3.48Å; F468-I573 HydrophobicContact CD2-CD1 4.39Å; F468-I573 HydrophobicContact CE1-CG1 4.3Å; F468-I573 HydrophobicContact CG-CD1 3.68Å; F468-I573 HydrophobicContact CG-CG1 3.86Å; F468-I682 HydrophobicContact CE2-CG2 3.52Å; F468-I682 HydrophobicContact CZ-CG2 3.85Å; F468-L686 HydrophobicContact CE2-CD1 4.21Å
469	I	79.8	Confident	79	Confident	33 Å²	33	44.6 Å²	44.6	17%	0.169	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.5	169.2	-80.1	177.5	0	0	0	109.9	L471 I565 L570 A571 G572 I573	I469-L471 PolarHBondContact O-N 2.79Å; I469-I565 HydrophobicContact CB-CD1 4.38Å; I469-I565 HydrophobicContact CB-CG1 4.3Å; I469-I565 HydrophobicContact CB-CG2 4.48Å; I469-I565 HydrophobicContact CG2-CD1 3.79Å; I469-I565 HydrophobicContact CG2-CG1 3.75Å; I469-L570 HydrophobicContact CD1-CD1 3.34Å; I469-L570 HydrophobicContact CG1-CD1 3.73Å; I469-A571 PolarHBondContact N-O 3.32Å; I469-G572 CarbonylContact O-C 3.53Å; I469-G572 WeakPolarHBondContact O-CA 3.37Å; I469-I573 PolarHBondContact O-N 3.21Å
470	P	86.2	Confident	78.2	Confident	43 Å²	43	47.1 Å²	47.1	28%	0.279	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	119.9	174.1	27.6	-36.2	0	0	0	110.9	R457 C461 I472	R457-P470 HydrophobicContact CG-CB 4.22Å; C461-P470 VanDerWaalsContact SG-CD 3.56Å; P470-I472 HydrophobicContact CB-CG2 4.1Å; P470-I472 PolarHBondContact O-N 2.83Å
471	L	87.9	Confident	76.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.			trans	-84.2	96	170.3	-178.4	55.3	0	0	0	108.3	I442 I469 L557 I561 L562 I565 I573 V574	I442-L471 HydrophobicContact CD1-CD2 4.36Å; I442-L471 HydrophobicContact CG1-CD2 4.35Å; I442-L471 HydrophobicContact CG2-CD2 4.42Å; I469-L471 PolarHBondContact O-N 2.79Å; L471-L557 HydrophobicContact CD1-CD1 3.65Å; L471-L557 HydrophobicContact CD2-CD1 4.07Å; L471-L557 HydrophobicContact CD2-CD2 4.22Å; L471-L557 HydrophobicContact CG-CD1 3.59Å; L471-I561 HydrophobicContact CD1-CB 4.27Å; L471-I561 HydrophobicContact CD1-CG2 3.6Å; L471-L562 HydrophobicContact CD1-CB 4.46Å; L471-L562 HydrophobicContact CD1-CD1 4.47Å; L471-L562 HydrophobicContact CD2-CD1 3.96Å; L471-I565 HydrophobicContact CB-CD1 4.03Å; L471-I565 HydrophobicContact CD1-CD1 3.81Å; L471-I565 HydrophobicContact CG-CD1 4.48Å; L471-I573 PolarHBondContact N-O 3.04Å; L471-V574 HydrophobicContact CB-CB 4.16Å; L471-V574 HydrophobicContact CD2-CB 4.12Å; L471-V574 HydrophobicContact CD2-CG2 4.48Å; L471-V574 HydrophobicContact CG-CB 4.31Å; L471-V574 HydrophobicContact CG-CG2 4.41Å
472	I	87.2	Confident	74.9	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-93.8	149.6	-174.1	57	175.3	0	0	0	112.4	P470 G524 Y528 I561	P470-I472 HydrophobicContact CB-CG2 4.1Å; P470-I472 PolarHBondContact O-N 2.83Å; I472-G524 WeakPolarHBondContact CD1-O 3.19Å; I472-Y528 HydrophobicContact CD1-CD2 3.7Å; I472-Y528 HydrophobicContact CD1-CE1 4.41Å; I472-Y528 HydrophobicContact CD1-CE2 3.29Å; I472-Y528 HydrophobicContact CD1-CG 4.41Å; I472-Y528 HydrophobicContact CG1-CD2 3.91Å; I472-Y528 HydrophobicContact CG1-CE2 3.6Å; I472-I561 HydrophobicContact CG1-CD1 4.44Å; I472-I561 VanDerWaalsContact O-CD1 3.25Å; I472-I561 WeakPolarHBondContact O-CD1 3.4Å
473	C	86.2	Confident	72.9	Confident	20 Å²	20	51 Å²	51	14%	0.135	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-98.5	155.6	178.9	-59.6	0	0	0	0	111.1	Y527 Y528 G556	C473-Y527 HydrophobicContact CB-CD1 4.26Å; C473-Y527 WeakPolarHBondContact O-CA 3.39Å; C473-Y528 PolarHBondContact O-N 2.84Å; C473-G556 CarbonylContact C-O 3.45Å; C473-G556 WeakPolarHBondContact CA-O 3.26Å
474	H	84	Confident	71	Confident	11 Å²	11	52.4 Å²	52.4	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	147	162.4	-63.7	74.5	0	0	0	109.9	Y528 I530 F535 F544 Y555 G556 S558	H474-Y528 CarbonylContact C-O 3.5Å; H474-Y528 VanDerWaalsContact CA-O 3.24Å; H474-Y528 WeakPolarHBondContact CA-O 3.38Å; H474-Y528 VanDerWaalsContact CD2-CB 3.46Å; H474-Y528 WeakPolarHBondContact CD2-CB 3.08Å; H474-Y528 AromaticContact CE1-CD2 3.94Å; H474-I530 HydrophobicContact CB-CD1 3.92Å; H474-I530 HydrophobicContact CB-CG1 4.33Å; H474-F535 HydrophobicContact CB-CD2 4.38Å; H474-F535 HydrophobicContact CB-CE2 4.23Å; H474-F544 HydrophobicContact CB-CE1 3.81Å; H474-F544 HydrophobicContact CB-CZ 3.99Å; H474-F544 AromaticContact CG-CE1 3.8Å; H474-F544 AromaticContact ND1-CE1 3.69Å; H474-Y555 CarbonylContact O-C 3.27Å; H474-Y555 VanDerWaalsContact O-CA 3.27Å; H474-Y555 WeakPolarHBondContact O-CA 3.27Å; H474-G556 PolarHBondContact N-O 3.12Å; H474-G556 PolarHBondContact O-N 3.28Å; H474-S558 PolarHBondContact CE1-OG 3.18Å
475	T	82.2	Confident	69.1	Low	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	149.5	173	-173.1	0	0	0	0	112.3	R477 Y527 Y528 F529 I530 Q554 Y555	T475-R477 VanDerWaalsContact C-N 3.3Å; T475-R477 HydrophobicContact CG2-CB 4.04Å; T475-R477 WeakPolarHBondContact OG1-CB 3.42Å; T475-R477 PolarHBondContact OG1-N 3.15Å; T475-Y527 HydrophobicContact CG2-CD1 4.22Å; T475-Y527 HydrophobicContact CG2-CG 3.95Å; T475-Y528 PolarHBondContact N-O 3.02Å; T475-F529 HydrophobicContact CG2-CD1 3.54Å; T475-F529 HydrophobicContact CG2-CE1 3.76Å; T475-I530 PolarHBondContact O-N 2.86Å; T475-Q554 WeakPolarHBondContact CA-O 3.49Å; T475-Q554 WeakPolarHBondContact CB-O 3.34Å; T475-Q554 PolarHBondContact OG1-O 3.48Å; T475-Y555 HydrophobicContact CG2-CE1 4.32Å; T475-Y555 WeakPolarHBondContact OG1-CE1 3.28Å
476	D	78.2	Confident	67	Low	25 Å²	25	56.3 Å²	56.3	13%	0.134	29%	0.285	C	S	.	.	S	Bend	trans	-87.8	3.3	171.3	74.7	-20.7	0	0	0	114.5	I530 K532 Y553 Q554	D476-I530 WeakPolarHBondContact CA-O 3.31Å; D476-K532 HydrophobicContact CB-CB 4.2Å; D476-Y553 VanDerWaalsContact OD1-CA 3.3Å; D476-Y553 WeakPolarHBondContact OD1-CA 3.47Å; D476-Y553 WeakPolarHBondContact OD1-CB 3.44Å; D476-Q554 PolarHBondContact N-O 3Å; D476-Q554 PolarHBondContact OD1-N 3.25Å
477	R	78.5	Confident	65.2	Low	32 Å²	32	56.5 Å²	56.5	12%	0.121	28%	0.282	C	S	.	.	S	Bend	trans	-72.9	148.9	175.2	-161.9	-172.9	81.9	78.2	15.1	111.2	T475 K480 E521 F529 Y553 Y555	T475-R477 VanDerWaalsContact C-N 3.3Å; T475-R477 HydrophobicContact CG2-CB 4.04Å; T475-R477 WeakPolarHBondContact OG1-CB 3.42Å; T475-R477 PolarHBondContact OG1-N 3.15Å; R477-K480 VanDerWaalsContact NH1-CG 3.27Å; R477-K480 VanDerWaalsContact NH2-CG 3.28Å; R477-E521 IonicContact CZ-OE2 2.66Å; R477-E521 VanDerWaalsContact NH2-CD 3.3Å; R477-E521 IonicContact NH2-OE1 3.55Å; R477-E521 IonicContact NH2-OE2 2.91Å; R477-E521 PolarHBondContact NH2-OE2 2.88Å; R477-F529 WeakPolarHBondContact O-CD1 3.31Å; R477-Y553 HydrophobicContact CB-CD1 3.81Å; R477-Y553 HydrophobicContact CB-CD2 4.35Å; R477-Y553 HydrophobicContact CB-CE1 4.31Å; R477-Y553 HydrophobicContact CB-CG 3.83Å; R477-Y553 HydrophobicContact CG-CD1 3.94Å; R477-Y553 HydrophobicContact CG-CD2 3.84Å; R477-Y553 HydrophobicContact CG-CE1 4.05Å; R477-Y553 HydrophobicContact CG-CE2 3.95Å; R477-Y553 HydrophobicContact CG-CG 3.82Å; R477-Y555 WeakPolarHBondContact CD-OH 3.43Å
478	L	71.1	Confident	63.2	Low	143 Å²	143	58.1 Å²	58.1	75%	0.749	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-77.3	144.6	168	-69.3	169	0	0	0	111.4
479	P	67.7	Low	60.8	Low	49 Å²	49	63.7 Å²	63.7	32%	0.318	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-53.7	143.2	175.5	-21	28.2	0	0	0	112.4	C481 E521 F529	P479-C481 PolarHBondContact O-N 3.32Å; P479-E521 HydrophobicContact CB-CB 4.17Å; P479-F529 HydrophobicContact CB-CD2 4.46Å; P479-F529 HydrophobicContact CB-CE1 4.31Å; P479-F529 HydrophobicContact CB-CE2 3.98Å; P479-F529 HydrophobicContact CB-CZ 3.88Å; P479-F529 HydrophobicContact CG-CD1 4.12Å; P479-F529 HydrophobicContact CG-CD2 3.71Å; P479-F529 HydrophobicContact CG-CE1 4.13Å; P479-F529 HydrophobicContact CG-CE2 3.75Å; P479-F529 HydrophobicContact CG-CG 3.89Å; P479-F529 HydrophobicContact CG-CZ 3.94Å
480	K	64.8	Low	58.4	Low	89 Å²	89	65.4 Å²	65.4	39%	0.387	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-71.6	126.9	172.5	-60.2	-172.2	-176.1	-178.3	0	108.7	R477 E521	R477-K480 VanDerWaalsContact NH1-CG 3.27Å; R477-K480 VanDerWaalsContact NH2-CG 3.28Å; K480-E521 HydrophobicContact CB-CG 4.05Å; K480-E521 HydrophobicContact CG-CG 4.46Å; K480-E521 PolarHBondContact N-OE2 3.08Å; K480-E521 PolarHBondContact O-N 3.29Å
481	C	52.2	Low	55.7	Low	68 Å²	68	68.2 Å²	68.2	46%	0.459	35%	0.348	S	S	.	.			trans	-112.1	116	174.4	-89	0	0	0	0	110	P479 K483	P479-C481 PolarHBondContact O-N 3.32Å; C481-K483 PolarHBondContact O-N 3.33Å; C481-K483 VanDerWaalsContact O-N 3.09Å
482	N	44.7	Very low	52.7	Low	53 Å²	53	76.1 Å²	76.1	28%	0.283	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-72.4	3.1	177.6	-85	1.5	0	0	0	113.9	L484 I485 N519 N520	N482-L484 VanDerWaalsContact C-N 3.3Å; N482-L484 PolarHBondContact O-N 3.39Å; N482-I485 HydrophobicContact CB-CD1 4.39Å; N482-I485 PolarHBondContact O-N 3.11Å; N482-I485 WeakPolarHBondContact OD1-CD1 3.18Å; N482-N519 WeakPolarHBondContact ND2-CB 3.14Å; N482-N520 PolarHBondContact N-OD1 2.84Å
483	K	38.4	Very low	49.9	Very low	100 Å²	100	80.2 Å²	80.2	44%	0.435	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-63.6	-30.4	179.5	-76.7	-174.1	-179.3	173.3	0	113.5	C481 I485 L511	C481-K483 PolarHBondContact O-N 3.33Å; C481-K483 VanDerWaalsContact O-N 3.09Å; K483-I485 VanDerWaalsContact C-N 3.3Å; K483-I485 PolarHBondContact O-N 3.04Å; K483-L511 PolarHBondContact NZ-O 2.73Å
484	L	34.7	Very low	47.1	Very low	102 Å²	102	86.1 Å²	86.1	53%	0.534	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-73.8	-19.1	179.1	-74.5	165.4	0	0	0	113.5	N482	N482-L484 VanDerWaalsContact C-N 3.3Å; N482-L484 PolarHBondContact O-N 3.39Å
485	I	36.3	Very low	44.2	Very low	59 Å²	59	92.4 Å²	92.4	30%	0.303	48%	0.476	S	S	.	.	H	α-helix	trans	-82.9	-34.1	-167.5	-57.5	176.5	0	0	0	112.4	N482 K483 Q487 F488 N489	N482-I485 HydrophobicContact CB-CD1 4.39Å; N482-I485 PolarHBondContact O-N 3.11Å; N482-I485 WeakPolarHBondContact OD1-CD1 3.18Å; K483-I485 VanDerWaalsContact C-N 3.3Å; K483-I485 PolarHBondContact O-N 3.04Å; I485-Q487 VanDerWaalsContact C-N 3.32Å; I485-Q487 PolarHBondContact O-N 2.97Å; I485-F488 PolarHBondContact O-N 3.45Å; I485-N489 PolarHBondContact O-N 3.18Å
486	K	27.9	Very low	41.4	Very low	132 Å²	132	97.3 Å²	97.3	57%	0.574	51%	0.51	S	S	*	.	H	α-helix	trans	-70.1	-26.7	179.1	-80.2	-178.7	174.8	169.6	0	112.8	S490 N517	K486-S490 PolarHBondContact O-N 2.78Å; K486-S490 PolarHBondContact O-OG 3.36Å; K486-N517 PolarHBondContact NZ-OD1 2.77Å
487	Q	30.1	Very low	38.9	Very low	130 Å²	130	101.3 Å²	101.3	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-69.9	-41.3	173.7	-83.7	179.3	-19	0	0	111.6	I485 S490 I491	I485-Q487 VanDerWaalsContact C-N 3.32Å; I485-Q487 PolarHBondContact O-N 2.97Å; Q487-S490 WeakPolarHBondContact O-CB 3.23Å; Q487-S490 PolarHBondContact O-N 3.24Å; Q487-I491 HydrophobicContact CB-CD1 4.48Å; Q487-I491 VanDerWaalsContact O-CD1 3.31Å; Q487-I491 WeakPolarHBondContact O-CD1 3.41Å; Q487-I491 WeakPolarHBondContact O-CG1 3.37Å; Q487-I491 PolarHBondContact O-N 2.84Å
488	F	30.3	Very low	36.3	Very low	121 Å²	121	106.7 Å²	106.7	53%	0.531	57%	0.572	S	S	.	*	H	α-helix	trans	-69.5	-39.8	-177.8	-108.5	-85.5	0	0	0	114.2	I485 S490 I491 H492	I485-F488 PolarHBondContact O-N 3.45Å; F488-S490 PolarHBondContact O-N 3.4Å; F488-I491 PolarHBondContact O-N 3.24Å; F488-I491 VanDerWaalsContact O-N 3.14Å; F488-H492 PolarHBondContact O-N 3.14Å
489	N	27.8	Very low	34.1	Very low	122 Å²	122	106.4 Å²	106.4	65%	0.652	57%	0.571	S	S	*	*	H	α-helix	trans	-69.9	-20.7	175.2	-71.9	-5.4	0	0	0	112.6	I485	I485-N489 PolarHBondContact O-N 3.18Å
490	S	29.6	Very low	32.1	Very low	69 Å²	69	110.5 Å²	110.5	48%	0.483	59%	0.59	S	S	.	*	H	α-helix	trans	-80.2	-31.2	171.5	-49.7	0	0	0	0	112	K486 Q487 F488 S493	K486-S490 PolarHBondContact O-N 2.78Å; K486-S490 PolarHBondContact O-OG 3.36Å; Q487-S490 WeakPolarHBondContact O-CB 3.23Å; Q487-S490 PolarHBondContact O-N 3.24Å; F488-S490 PolarHBondContact O-N 3.4Å; S490-S493 PolarHBondContact O-N 3.42Å; S490-S493 PolarHBondContact O-OG 3.42Å
491	I	29.1	Very low	30.2	Very low	101 Å²	101	114 Å²	114	52%	0.518	61%	0.613	S	S	.	*	H	α-helix	trans	-72.8	-30.6	-178.5	-70.5	160.2	0	0	0	111.6	Q487 F488 S493	Q487-I491 HydrophobicContact CB-CD1 4.48Å; Q487-I491 VanDerWaalsContact O-CD1 3.31Å; Q487-I491 WeakPolarHBondContact O-CD1 3.41Å; Q487-I491 WeakPolarHBondContact O-CG1 3.37Å; Q487-I491 PolarHBondContact O-N 2.84Å; F488-I491 PolarHBondContact O-N 3.24Å; F488-I491 VanDerWaalsContact O-N 3.14Å; I491-S493 VanDerWaalsContact C-N 3.27Å; I491-S493 PolarHBondContact O-N 3.38Å
492	H	26.6	Very low	29	Very low	167 Å²	167	116.3 Å²	116.3	77%	0.773	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	9.2	177.7	-93.3	-63.1	0	0	0	115.7	F488	F488-H492 PolarHBondContact O-N 3.14Å
493	S	28.4	Very low	28	Very low	91 Å²	91	120.4 Å²	120.4	64%	0.636	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	15.2	171.2	51.6	0	0	0	0	114.3	S490 I491	S490-S493 PolarHBondContact O-N 3.42Å; S490-S493 PolarHBondContact O-OG 3.42Å; I491-S493 VanDerWaalsContact C-N 3.27Å; I491-S493 PolarHBondContact O-N 3.38Å
494	I	25.8	Very low	27.4	Very low	144 Å²	144	123.2 Å²	123.2	74%	0.738	67%	0.667	S	S	*	*			trans	-108.3	97.9	170.6	-58.9	176.8	0	0	0	108.8
495	D	23.7	Very low	27	Very low	144 Å²	144	124.7 Å²	124.7	77%	0.77	68%	0.68	S	S	*	*			trans	-45.5	144.5	165.1	-81.9	-42	0	0	0	113.1
496	S	24.3	Very low	26.4	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	70%	0.697	S	S	*	*	S	Bend	trans	14.6	127	147.7	58.6	0	0	0	0	118.9
497	S	24.3	Very low	26	Very low	109 Å²	109	125.7 Å²	125.7	76%	0.762	70%	0.7	S	S	*	*			trans	111	129.5	154.4	77.1	0	0	0	0	116.8
498	N	24.6	Very low	25.8	Very low	145 Å²	145	127 Å²	127	78%	0.775	71%	0.709	S	S	*	*			trans	92.6	93	164.1	-62.4	-23	0	0	0	119.7
499	N	24.8	Very low	25.5	Very low	137 Å²	137	127.1 Å²	127.1	73%	0.733	72%	0.72	S	S	*	*				48.3	127.1	114.7	-77.8	-9.7	0	0	0	120.9
500	N	25.1	Very low	25.3	Very low	135 Å²	135	129.8 Å²	129.8	72%	0.722	73%	0.729	S	S	*	*			trans	48.4	104.4	138.9	-61.3	-11	0	0	0	117.6
501	N	26.8	Very low	25.1	Very low	162 Å²	162	131.5 Å²	131.5	87%	0.866	73%	0.732	S	S	*	*				-176.2	137.8	114.1	-90.8	-24.5	0	0	0	112.6
502	T	25.1	Very low	24.8	Very low	117 Å²	117	133.2 Å²	133.2	72%	0.718	74%	0.742	S	S	*	*			trans	-55.5	154.2	166.1	45.7	0	0	0	0	113.3
503	N	25.2	Very low	24.7	Very low	139 Å²	139	132.6 Å²	132.6	74%	0.743	74%	0.744	S	S	*	*			trans	78.9	80.2	163.1	-58.5	-15.7	0	0	0	117.6
504	N	25.6	Very low	24.5	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	75%	0.751	S	S	*	*			trans	-125.8	74.9	149.4	-86.3	-22.5	0	0	0	109.5	V506	N504-V506 VanDerWaalsContact C-N 3.29Å; N504-V506 HydrophobicContact CB-CG2 4.49Å; N504-V506 PolarHBondContact O-N 3.37Å; N504-V506 VanDerWaalsContact O-N 3.12Å
505	V	25.2	Very low	24.8	Very low	133 Å²	133	133.8 Å²	133.8	81%	0.806	75%	0.751	S	S	*	*			trans	-75.9	89.1	160.4	178.7	0	0	0	0	106.3	T507	V505-T507 PolarHBondContact O-N 3.45Å; V505-T507 VanDerWaalsContact O-N 3.09Å
506	V	23.8	Very low	25	Very low	109 Å²	109	133.6 Å²	133.6	66%	0.661	75%	0.75	S	S	*	*			trans	-72.1	101.5	175.3	178.6	0	0	0	0	108.1	N504 I508	N504-V506 VanDerWaalsContact C-N 3.29Å; N504-V506 HydrophobicContact CB-CG2 4.49Å; N504-V506 PolarHBondContact O-N 3.37Å; N504-V506 VanDerWaalsContact O-N 3.12Å; V506-I508 PolarHBondContact O-N 2.85Å
507	T	21.2	Very low	25.4	Very low	102 Å²	102	131.6 Å²	131.6	63%	0.626	73%	0.731	S	S	*	*			trans	-59.7	128.7	168.1	39.2	0	0	0	0	110.4	V505 T509	V505-T507 PolarHBondContact O-N 3.45Å; V505-T507 VanDerWaalsContact O-N 3.09Å; T507-T509 PolarHBondContact O-N 3.36Å
508	I	25.6	Very low	26.2	Very low	158 Å²	158	133.2 Å²	133.2	81%	0.81	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-64.4	2.4	-167.8	-66.1	169.8	0	0	0	114.6	V506 Q510	V506-I508 PolarHBondContact O-N 2.85Å; I508-Q510 PolarHBondContact O-N 3.2Å
509	T	23.5	Very low	27.4	Very low	124 Å²	124	132 Å²	132	76%	0.761	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-86.1	-1.7	-174.8	42.6	0	0	0	0	116.2	T507	T507-T509 PolarHBondContact O-N 3.36Å
510	Q	23.5	Very low	29.2	Very low	178 Å²	178	127.8 Å²	127.8	83%	0.832	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-115.8	27.5	-179.6	-71.6	-168.1	-13	0	0	116.1	I508	I508-Q510 PolarHBondContact O-N 3.2Å
511	L	25	Very low	31.4	Very low	105 Å²	105	122.2 Å²	122.2	55%	0.55	67%	0.672	S	S	.	*			trans	-107.6	34.3	174.6	-72.3	170.9	0	0	0	113.9	K483	K483-L511 PolarHBondContact NZ-O 2.73Å
512	N	22.9	Very low	33.7	Very low	137 Å²	137	119.1 Å²	119.1	73%	0.733	66%	0.655	S	S	*	*			trans	-93.3	139.9	166	-85.5	-11.2	0	0	0	109.9
513	N	24.7	Very low	36.1	Very low	153 Å²	153	118.1 Å²	118.1	82%	0.818	65%	0.645	S	S	*	*			trans	95	72.4	171.7	-49.5	-15.9	0	0	0	116.4
514	N	24.4	Very low	38.5	Very low	146 Å²	146	112.9 Å²	112.9	78%	0.781	62%	0.624	S	S	*	*			trans	-149.9	112.8	140.7	-127.9	-13.6	0	0	0	108.9	N516	N514-N516 VanDerWaalsContact C-N 3.28Å; N514-N516 PolarHBondContact O-N 3.05Å
515	P	32.3	Very low	40.8	Very low	114 Å²	114	108.7 Å²	108.7	74%	0.74	60%	0.604	S	S	*	*			trans	-79.2	-0.9	-170.7	29.9	-31.9	0	0	0	114.7	N517	P515-N517 PolarHBondContact O-N 3.4Å
516	N	28	Very low	43.1	Very low	140 Å²	140	102.4 Å²	102.4	75%	0.749	57%	0.566	S	S	*	*			trans	-99.4	57.9	-176.4	-72	-2.9	0	0	0	114	N514	N514-N516 VanDerWaalsContact C-N 3.28Å; N514-N516 PolarHBondContact O-N 3.05Å
517	N	32.3	Very low	45.9	Very low	60 Å²	60	99.4 Å²	99.4	32%	0.321	54%	0.543	S	S	.	.			trans	-145.3	86.5	172.3	-94.8	-11.2	0	0	0	111.1	K486 P515 N519	K486-N517 PolarHBondContact NZ-OD1 2.77Å; P515-N517 PolarHBondContact O-N 3.4Å; N517-N519 PolarHBondContact O-N 2.92Å
518	N	41.5	Very low	49	Very low	144 Å²	144	98.7 Å²	98.7	77%	0.77	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	4.2	-173.8	-80.6	-8.8	0	0	0	116.7
519	N	48.3	Very low	51.8	Low	120 Å²	120	92.8 Å²	92.8	64%	0.642	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	20.6	-172.9	-76.8	-5.7	0	0	0	115.1	N482 N517	N482-N519 WeakPolarHBondContact ND2-CB 3.14Å; N517-N519 PolarHBondContact O-N 2.92Å
520	N	62.7	Low	54.8	Low	47 Å²	47	88.4 Å²	88.4	25%	0.251	47%	0.47	S	S	.	.	S	Bend	trans	-83.5	145.1	172.6	-68.1	-19.1	0	0	0	110.7	N482	N482-N520 PolarHBondContact N-OD1 2.84Å
521	E	72.2	Confident	57.6	Low	18 Å²	18	83.9 Å²	83.9	8%	0.084	45%	0.451	C	S	.	.			trans	-74.8	136.8	174.1	-59.7	-171.4	165.6	0	0	111.2	R454 R477 P479 K480 D526 F529	R454-E521 IonicContact CZ-OE1 3.26Å; R454-E521 IonicContact NH1-OE1 2.88Å; R454-E521 PolarHBondContact NH1-OE1 3.14Å; R454-E521 IonicContact NH1-OE2 3.69Å; R454-E521 IonicContact NH2-OE1 3.51Å; R454-E521 PolarHBondContact NH2-OE1 3.31Å; R477-E521 IonicContact CZ-OE2 2.66Å; R477-E521 VanDerWaalsContact NH2-CD 3.3Å; R477-E521 IonicContact NH2-OE1 3.55Å; R477-E521 IonicContact NH2-OE2 2.91Å; R477-E521 PolarHBondContact NH2-OE2 2.88Å; P479-E521 HydrophobicContact CB-CB 4.17Å; K480-E521 HydrophobicContact CB-CG 4.05Å; K480-E521 HydrophobicContact CG-CG 4.46Å; K480-E521 PolarHBondContact N-OE2 3.08Å; K480-E521 PolarHBondContact O-N 3.29Å; E521-D526 WeakPolarHBondContact CA-OD2 3.47Å; E521-D526 HydrophobicContact CB-CB 4.16Å; E521-F529 HydrophobicContact CB-CE2 4.35Å; E521-F529 HydrophobicContact CB-CZ 3.99Å; E521-F529 WeakPolarHBondContact OE2-CZ 3.38Å
522	I	74.4	Confident	60.4	Low	98 Å²	98	84.3 Å²	84.3	50%	0.503	45%	0.449	S	S	.	.			trans	-112.4	131.5	-174.9	-56.6	170.2	0	0	0	109.6	V525 D526	I522-V525 HydrophobicContact CB-CB 4.05Å; I522-V525 HydrophobicContact CB-CG2 4.21Å; I522-V525 HydrophobicContact CG2-CB 4.21Å; I522-V525 HydrophobicContact CG2-CG2 3.83Å; I522-V525 PolarHBondContact O-N 2.81Å; I522-D526 PolarHBondContact N-OD2 2.81Å; I522-D526 PolarHBondContact O-N 2.74Å
523	D	77	Confident	63.1	Low	95 Å²	95	85.2 Å²	85.2	51%	0.508	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-62.2	135.4	174.9	-172.3	45.4	0	0	0	111.5	V525 Y527 Y528 F529	D523-V525 PolarHBondContact O-N 3.49Å; D523-Y527 WeakPolarHBondContact CA-O 3.44Å; D523-Y528 WeakPolarHBondContact OD1-CA 3.44Å; D523-F529 HydrophobicContact CB-CD2 3.89Å; D523-F529 PolarHBondContact OD1-N 2.88Å
524	G	75.4	Confident	65.8	Low	29 Å²	29	81.7 Å²	81.7	30%	0.299	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	-2.8	-175.7	0	0	0	0	0	115.5	I472 Y527	I472-G524 WeakPolarHBondContact CD1-O 3.19Å; G524-Y527 PolarHBondContact N-O 2.76Å
525	V	73.7	Confident	68.7	Low	72 Å²	72	74.8 Å²	74.8	44%	0.436	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-45.4	174.1	-179.7	0	0	0	0	111	I522 D523	I522-V525 HydrophobicContact CB-CB 4.05Å; I522-V525 HydrophobicContact CB-CG2 4.21Å; I522-V525 HydrophobicContact CG2-CB 4.21Å; I522-V525 HydrophobicContact CG2-CG2 3.83Å; I522-V525 PolarHBondContact O-N 2.81Å; D523-V525 PolarHBondContact O-N 3.49Å
526	D	73.4	Confident	70.9	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-52.4	178.9	-78	-74.1	0	0	0	111.7	R454 K458 E521 I522	R454-D526 WeakPolarHBondContact CD-OD1 3.33Å; R454-D526 IonicContact CZ-OD1 2.83Å; R454-D526 IonicContact NE-OD1 3.63Å; R454-D526 IonicContact NH1-OD1 2.82Å; R454-D526 PolarHBondContact NH1-OD1 2.77Å; K458-D526 WeakPolarHBondContact CE-OD1 3.49Å; K458-D526 VanDerWaalsContact NZ-CG 3.28Å; K458-D526 IonicContact NZ-OD1 3.83Å; K458-D526 PolarHBondContact NZ-OD1 3.4Å; K458-D526 IonicContact NZ-OD2 2.69Å; K458-D526 PolarHBondContact NZ-OD2 2.87Å; K458-D526 VanDerWaalsContact NZ-OD2 3.07Å; E521-D526 WeakPolarHBondContact CA-OD2 3.47Å; E521-D526 HydrophobicContact CB-CB 4.16Å; I522-D526 PolarHBondContact N-OD2 2.81Å; I522-D526 PolarHBondContact O-N 2.74Å
527	Y	83	Confident	73.4	Confident	47 Å²	47	71.2 Å²	71.2	18%	0.184	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-149.1	161.7	176.7	-64.8	-80.7	0	0	0	108.7	C473 T475 D523 G524 F529 Y555	C473-Y527 HydrophobicContact CB-CD1 4.26Å; C473-Y527 WeakPolarHBondContact O-CA 3.39Å; T475-Y527 HydrophobicContact CG2-CD1 4.22Å; T475-Y527 HydrophobicContact CG2-CG 3.95Å; D523-Y527 WeakPolarHBondContact CA-O 3.44Å; G524-Y527 PolarHBondContact N-O 2.76Å; Y527-F529 HydrophobicContact CD2-CE1 4.13Å; Y527-F529 AromaticContact CD2-CZ 3.94Å; Y527-F529 HydrophobicContact CD2-CZ 3.94Å; Y527-F529 HydrophobicContact CG-CE1 4.38Å; Y527-F529 HydrophobicContact CG-CZ 4.38Å; Y527-Y555 HydrophobicContact CD1-CD1 4.42Å; Y527-Y555 HydrophobicContact CD1-CE1 4.35Å; Y527-Y555 HydrophobicContact CE1-CD1 4.07Å; Y527-Y555 AromaticContact CE1-CE1 3.89Å; Y527-Y555 HydrophobicContact CE1-CE1 3.89Å
528	Y	85	Confident	75.6	Confident	87 Å²	87	70.3 Å²	70.3	34%	0.341	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.1	159	-72.2	-69.4	0	0	0	108.8	I472 C473 H474 T475 D523 I530 I561	I472-Y528 HydrophobicContact CD1-CD2 3.7Å; I472-Y528 HydrophobicContact CD1-CE1 4.41Å; I472-Y528 HydrophobicContact CD1-CE2 3.29Å; I472-Y528 HydrophobicContact CD1-CG 4.41Å; I472-Y528 HydrophobicContact CG1-CD2 3.91Å; I472-Y528 HydrophobicContact CG1-CE2 3.6Å; C473-Y528 PolarHBondContact O-N 2.84Å; H474-Y528 CarbonylContact C-O 3.5Å; H474-Y528 VanDerWaalsContact CA-O 3.24Å; H474-Y528 WeakPolarHBondContact CA-O 3.38Å; H474-Y528 VanDerWaalsContact CD2-CB 3.46Å; H474-Y528 WeakPolarHBondContact CD2-CB 3.08Å; H474-Y528 AromaticContact CE1-CD2 3.94Å; T475-Y528 PolarHBondContact N-O 3.02Å; D523-Y528 WeakPolarHBondContact OD1-CA 3.44Å; Y528-I530 PolarHBondContact O-N 2.91Å; Y528-I561 HydrophobicContact CD2-CD1 3.59Å; Y528-I561 HydrophobicContact CD2-CG1 4.49Å; Y528-I561 HydrophobicContact CE2-CD1 3.43Å; Y528-I561 VanDerWaalsContact CE2-CD1 3.43Å; Y528-I561 HydrophobicContact CE2-CG1 3.91Å
529	F	84.8	Confident	77.1	Confident	33 Å²	33	67 Å²	67	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	111.1	179.3	-61.2	-72.9	0	0	0	109.2	T475 R477 P479 E521 D523 Y527	T475-F529 HydrophobicContact CG2-CD1 3.54Å; T475-F529 HydrophobicContact CG2-CE1 3.76Å; R477-F529 WeakPolarHBondContact O-CD1 3.31Å; P479-F529 HydrophobicContact CB-CD2 4.46Å; P479-F529 HydrophobicContact CB-CE1 4.31Å; P479-F529 HydrophobicContact CB-CE2 3.98Å; P479-F529 HydrophobicContact CB-CZ 3.88Å; P479-F529 HydrophobicContact CG-CD1 4.12Å; P479-F529 HydrophobicContact CG-CD2 3.71Å; P479-F529 HydrophobicContact CG-CE1 4.13Å; P479-F529 HydrophobicContact CG-CE2 3.75Å; P479-F529 HydrophobicContact CG-CG 3.89Å; P479-F529 HydrophobicContact CG-CZ 3.94Å; E521-F529 HydrophobicContact CB-CE2 4.35Å; E521-F529 HydrophobicContact CB-CZ 3.99Å; E521-F529 WeakPolarHBondContact OE2-CZ 3.38Å; D523-F529 HydrophobicContact CB-CD2 3.89Å; D523-F529 PolarHBondContact OD1-N 2.88Å; Y527-F529 HydrophobicContact CD2-CE1 4.13Å; Y527-F529 AromaticContact CD2-CZ 3.94Å; Y527-F529 HydrophobicContact CD2-CZ 3.94Å; Y527-F529 HydrophobicContact CG-CE1 4.38Å; Y527-F529 HydrophobicContact CG-CZ 4.38Å
530	I	86.6	Confident	78	Confident	33 Å²	33	65.9 Å²	65.9	17%	0.169	33%	0.327	C	S	.	.			trans	-123.1	154.3	-179.9	59.5	173.3	0	0	0	109.6	H474 T475 D476 Y528 N534 F535 K538	H474-I530 HydrophobicContact CB-CD1 3.92Å; H474-I530 HydrophobicContact CB-CG1 4.33Å; T475-I530 PolarHBondContact O-N 2.86Å; D476-I530 WeakPolarHBondContact CA-O 3.31Å; Y528-I530 PolarHBondContact O-N 2.91Å; I530-N534 HydrophobicContact CB-CB 4.42Å; I530-F535 VanDerWaalsContact CD1-CA 3.49Å; I530-F535 HydrophobicContact CD1-CB 3.71Å; I530-F535 HydrophobicContact CD1-CD2 3.73Å; I530-F535 HydrophobicContact CD1-CG 4.13Å; I530-F535 HydrophobicContact CG1-CB 4.08Å; I530-F535 HydrophobicContact CG1-CD2 4.1Å; I530-K538 HydrophobicContact CD1-CD 4.15Å
531	N	82.8	Confident	78.2	Confident	83 Å²	83	67.9 Å²	67.9	44%	0.444	34%	0.338	S	S	.	.			trans	-71.2	159.8	174.1	66.9	16.5	0	0	0	110.9	E533 N534 F535	N531-E533 PolarHBondContact O-N 3.26Å; N531-N534 PolarHBondContact O-N 3.38Å; N531-N534 WeakPolarHBondContact OD1-CB 3.45Å; N531-N534 PolarHBondContact OD1-N 3.17Å; N531-N534 PolarHBondContact OD1-ND2 3.26Å; N531-F535 PolarHBondContact O-N 2.95Å
532	K	82.2	Confident	77.9	Confident	114 Å²	114	69 Å²	69	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-34.6	-178.8	-170.1	168.3	-174.5	170.2	0	113.1	D476 F535 N536	D476-K532 HydrophobicContact CB-CB 4.2Å; K532-F535 PolarHBondContact O-N 3.07Å; K532-N536 WeakPolarHBondContact O-CB 3.44Å; K532-N536 VanDerWaalsContact O-CG 3.26Å; K532-N536 PolarHBondContact O-N 3.21Å; K532-N536 PolarHBondContact O-ND2 3.05Å
533	E	81.3	Confident	78	Confident	155 Å²	155	67.3 Å²	67.3	72%	0.724	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-47.9	176.8	-66.6	179.5	179.6	0	0	112	N531 F535 N536 K537	N531-E533 PolarHBondContact O-N 3.26Å; E533-F535 VanDerWaalsContact C-N 3.34Å; E533-N536 PolarHBondContact O-N 3.04Å; E533-K537 WeakPolarHBondContact O-CB 3.43Å; E533-K537 PolarHBondContact O-N 3.45Å
534	N	81.6	Confident	77.9	Confident	80 Å²	80	63.8 Å²	63.8	43%	0.428	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-36.7	176.7	-71.8	-15.5	0	0	0	111.6	I530 N531 K537 K538	I530-N534 HydrophobicContact CB-CB 4.42Å; N531-N534 PolarHBondContact O-N 3.38Å; N531-N534 WeakPolarHBondContact OD1-CB 3.45Å; N531-N534 PolarHBondContact OD1-N 3.17Å; N531-N534 PolarHBondContact OD1-ND2 3.26Å; N534-K537 PolarHBondContact O-N 2.82Å; N534-K538 WeakPolarHBondContact O-CG 2.92Å; N534-K538 PolarHBondContact O-N 2.99Å
535	F	83.3	Confident	77.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-51.5	174.8	-169.1	-75.7	0	0	0	110.9	H474 I530 N531 K532 E533 K537 K538 Q539 F544 T547 Q554 Y555	H474-F535 HydrophobicContact CB-CD2 4.38Å; H474-F535 HydrophobicContact CB-CE2 4.23Å; I530-F535 VanDerWaalsContact CD1-CA 3.49Å; I530-F535 HydrophobicContact CD1-CB 3.71Å; I530-F535 HydrophobicContact CD1-CD2 3.73Å; I530-F535 HydrophobicContact CD1-CG 4.13Å; I530-F535 HydrophobicContact CG1-CB 4.08Å; I530-F535 HydrophobicContact CG1-CD2 4.1Å; N531-F535 PolarHBondContact O-N 2.95Å; K532-F535 PolarHBondContact O-N 3.07Å; E533-F535 VanDerWaalsContact C-N 3.34Å; F535-K537 VanDerWaalsContact C-N 3.26Å; F535-K537 PolarHBondContact O-N 2.91Å; F535-K538 PolarHBondContact O-N 2.85Å; F535-Q539 WeakPolarHBondContact O-CB 2.99Å; F535-Q539 PolarHBondContact O-N 2.96Å; F535-F544 HydrophobicContact CD1-CE2 4.11Å; F535-F544 HydrophobicContact CD2-CE2 4.25Å; F535-F544 AromaticContact CD2-CZ 4Å; F535-F544 HydrophobicContact CD2-CZ 4Å; F535-F544 HydrophobicContact CE1-CD2 4.35Å; F535-F544 AromaticContact CE1-CE2 3.8Å; F535-F544 HydrophobicContact CE1-CE2 3.8Å; F535-F544 HydrophobicContact CE1-CZ 4.42Å; F535-F544 HydrophobicContact CE2-CE1 4.45Å; F535-F544 AromaticContact CE2-CE2 3.95Å; F535-F544 HydrophobicContact CE2-CE2 3.95Å; F535-F544 AromaticContact CE2-CZ 3.73Å; F535-F544 HydrophobicContact CE2-CZ 3.73Å; F535-F544 HydrophobicContact CG-CE2 4.29Å; F535-F544 HydrophobicContact CG-CZ 4.43Å; F535-F544 HydrophobicContact CZ-CD2 4.26Å; F535-F544 AromaticContact CZ-CE2 3.7Å; F535-F544 HydrophobicContact CZ-CE2 3.7Å; F535-F544 AromaticContact CZ-CZ 3.94Å; F535-F544 HydrophobicContact CZ-CZ 3.94Å; F535-T547 HydrophobicContact CE1-CG2 4.17Å; F535-T547 HydrophobicContact CZ-CG2 4.11Å; F535-Q554 HydrophobicContact CD1-CB 3.72Å; F535-Q554 HydrophobicContact CD1-CG 4.32Å; F535-Q554 HydrophobicContact CD2-CB 4.21Å; F535-Q554 HydrophobicContact CE1-CB 3.56Å; F535-Q554 HydrophobicContact CE1-CG 4.33Å; F535-Q554 HydrophobicContact CE2-CB 4.06Å; F535-Q554 HydrophobicContact CG-CB 4.08Å; F535-Q554 HydrophobicContact CZ-CB 3.75Å; F535-Y555 VanDerWaalsContact CZ-C 3.45Å
536	N	78.9	Confident	77.4	Confident	54 Å²	54	61.4 Å²	61.4	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-37.4	177.8	-71.2	-36	0	0	0	111.5	K532 E533 Q539 I540 Q554	K532-N536 WeakPolarHBondContact O-CB 3.44Å; K532-N536 VanDerWaalsContact O-CG 3.26Å; K532-N536 PolarHBondContact O-N 3.21Å; K532-N536 PolarHBondContact O-ND2 3.05Å; E533-N536 PolarHBondContact O-N 3.04Å; N536-Q539 PolarHBondContact O-N 3.1Å; N536-I540 WeakPolarHBondContact O-CB 3.36Å; N536-I540 WeakPolarHBondContact O-CD1 3.31Å; N536-I540 WeakPolarHBondContact O-CG1 3.16Å; N536-I540 PolarHBondContact O-N 2.86Å; N536-Q554 PolarHBondContact OD1-NE2 2.86Å; N536-Q554 VanDerWaalsContact OD1-NE2 3.09Å; N536-Q554 PolarHBondContact OD1-OE1 3.4Å
537	K	80.2	Confident	77.4	Confident	126 Å²	126	64 Å²	64	55%	0.548	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-51.5	173.8	-173.5	-179.1	175.2	-175.1	0	111.7	E533 N534 F535 Q539 I540 D541	E533-K537 WeakPolarHBondContact O-CB 3.43Å; E533-K537 PolarHBondContact O-N 3.45Å; N534-K537 PolarHBondContact O-N 2.82Å; F535-K537 VanDerWaalsContact C-N 3.26Å; F535-K537 PolarHBondContact O-N 2.91Å; K537-Q539 VanDerWaalsContact C-N 3.26Å; K537-Q539 PolarHBondContact O-N 3.44Å; K537-I540 CarbonylContact O-C 3.53Å; K537-I540 WeakPolarHBondContact O-CA 3.48Å; K537-I540 WeakPolarHBondContact O-CB 3.44Å; K537-I540 PolarHBondContact O-N 3.06Å; K537-I540 VanDerWaalsContact O-N 3.08Å; K537-D541 WeakPolarHBondContact O-CB 3Å; K537-D541 VanDerWaalsContact O-CG 3.25Å; K537-D541 PolarHBondContact O-N 3.38Å
538	K	78.8	Confident	76.7	Confident	41 Å²	41	63.5 Å²	63.5	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-36.8	175.7	-74.5	-171.7	164.9	-80.7	0	112.6	I530 N534 F535 D541 G542 E543 F544	I530-K538 HydrophobicContact CD1-CD 4.15Å; N534-K538 WeakPolarHBondContact O-CG 2.92Å; N534-K538 PolarHBondContact O-N 2.99Å; F535-K538 PolarHBondContact O-N 2.85Å; K538-D541 PolarHBondContact O-N 3.33Å; K538-G542 PolarHBondContact O-N 3.23Å; K538-G542 VanDerWaalsContact O-N 3.16Å; K538-E543 HydrophobicContact CB-CB 4.39Å; K538-E543 WeakPolarHBondContact CD-OE2 3.32Å; K538-E543 VanDerWaalsContact CG-OE2 3.31Å; K538-E543 WeakPolarHBondContact CG-OE2 3.09Å; K538-E543 IonicContact NZ-OE2 3.92Å; K538-E543 PolarHBondContact NZ-OE2 3.13Å; K538-E543 PolarHBondContact O-N 3.14Å; K538-F544 HydrophobicContact CB-CD2 4.36Å; K538-F544 HydrophobicContact CB-CE2 3.59Å; K538-F544 HydrophobicContact CB-CZ 3.72Å; K538-F544 HydrophobicContact CD-CZ 4.09Å
539	Q	73.1	Confident	75.7	Confident	74 Å²	74	65.5 Å²	65.5	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-41.3	175	-170	179.4	28.9	0	0	111.9	F535 N536 K537 D541 G542 F544 T547	F535-Q539 WeakPolarHBondContact O-CB 2.99Å; F535-Q539 PolarHBondContact O-N 2.96Å; N536-Q539 PolarHBondContact O-N 3.1Å; K537-Q539 VanDerWaalsContact C-N 3.26Å; K537-Q539 PolarHBondContact O-N 3.44Å; Q539-D541 VanDerWaalsContact C-N 3.29Å; Q539-G542 PolarHBondContact O-N 3.37Å; Q539-F544 HydrophobicContact CB-CD2 3.96Å; Q539-F544 HydrophobicContact CB-CE2 4.16Å; Q539-F544 HydrophobicContact CG-CD2 4.47Å; Q539-T547 HydrophobicContact CG-CG2 4.11Å; Q539-T547 PolarHBondContact NE2-OG1 3.23Å
540	I	66.7	Low	74.5	Confident	96 Å²	96	67.6 Å²	67.6	49%	0.492	35%	0.347	S	S	.	.	H	α-helix	trans	-68.1	-28.9	170.8	-67.9	164.3	0	0	0	110.9	T387 N536 K537 G542	T387-I540 WeakPolarHBondContact CB-O 3.44Å; T387-I540 HydrophobicContact CG2-CG2 4.47Å; T387-I540 WeakPolarHBondContact CG2-O 3.34Å; T387-I540 PolarHBondContact OG1-O 2.78Å; N536-I540 WeakPolarHBondContact O-CB 3.36Å; N536-I540 WeakPolarHBondContact O-CD1 3.31Å; N536-I540 WeakPolarHBondContact O-CG1 3.16Å; N536-I540 PolarHBondContact O-N 2.86Å; K537-I540 CarbonylContact O-C 3.53Å; K537-I540 WeakPolarHBondContact O-CA 3.48Å; K537-I540 WeakPolarHBondContact O-CB 3.44Å; K537-I540 PolarHBondContact O-N 3.06Å; K537-I540 VanDerWaalsContact O-N 3.08Å; I540-G542 PolarHBondContact O-N 3.46Å
541	D	67.5	Low	73.1	Confident	89 Å²	89	68.5 Å²	68.5	48%	0.476	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-4	178	-67.6	-23.9	0	0	0	111.7	K537 K538 Q539 E543	K537-D541 WeakPolarHBondContact O-CB 3Å; K537-D541 VanDerWaalsContact O-CG 3.25Å; K537-D541 PolarHBondContact O-N 3.38Å; K538-D541 PolarHBondContact O-N 3.33Å; Q539-D541 VanDerWaalsContact C-N 3.29Å; D541-E543 VanDerWaalsContact C-N 3.27Å; D541-E543 HydrophobicContact CB-CG 3.95Å; D541-E543 PolarHBondContact O-N 3.43Å
542	G	67.3	Low	72.1	Confident	42 Å²	42	66.6 Å²	66.6	43%	0.433	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	19.2	178.2	0	0	0	0	0	113.3	K538 Q539 I540 F544	K538-G542 PolarHBondContact O-N 3.23Å; K538-G542 VanDerWaalsContact O-N 3.16Å; Q539-G542 PolarHBondContact O-N 3.37Å; I540-G542 PolarHBondContact O-N 3.46Å; G542-F544 VanDerWaalsContact C-N 3.27Å; G542-F544 PolarHBondContact O-N 3.21Å
543	E	74.6	Confident	71.7	Confident	62 Å²	62	64.7 Å²	64.7	29%	0.29	34%	0.341	S	S	.	.			trans	-75.2	-17.7	-173.7	-63	-176.2	-163.7	0	0	113.3	K538 D541 S558 W559	K538-E543 HydrophobicContact CB-CB 4.39Å; K538-E543 WeakPolarHBondContact CD-OE2 3.32Å; K538-E543 VanDerWaalsContact CG-OE2 3.31Å; K538-E543 WeakPolarHBondContact CG-OE2 3.09Å; K538-E543 IonicContact NZ-OE2 3.92Å; K538-E543 PolarHBondContact NZ-OE2 3.13Å; K538-E543 PolarHBondContact O-N 3.14Å; D541-E543 VanDerWaalsContact C-N 3.27Å; D541-E543 HydrophobicContact CB-CG 3.95Å; D541-E543 PolarHBondContact O-N 3.43Å; E543-S558 VanDerWaalsContact O-CA 3.26Å; E543-S558 WeakPolarHBondContact O-CA 3.32Å; E543-S558 WeakPolarHBondContact O-CB 3.39Å; E543-W559 PolarHBondContact O-N 2.7Å
544	F	76.2	Confident	71.5	Confident	22 Å²	22	58.4 Å²	58.4	10%	0.096	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.3	-178.5	-63.3	-55.3	0	0	0	112.5	H474 F535 K538 Q539 G542 Q546 T547 G556 L557	H474-F544 HydrophobicContact CB-CE1 3.81Å; H474-F544 HydrophobicContact CB-CZ 3.99Å; H474-F544 AromaticContact CG-CE1 3.8Å; H474-F544 AromaticContact ND1-CE1 3.69Å; F535-F544 HydrophobicContact CD1-CE2 4.11Å; F535-F544 HydrophobicContact CD2-CE2 4.25Å; F535-F544 AromaticContact CD2-CZ 4Å; F535-F544 HydrophobicContact CD2-CZ 4Å; F535-F544 HydrophobicContact CE1-CD2 4.35Å; F535-F544 AromaticContact CE1-CE2 3.8Å; F535-F544 HydrophobicContact CE1-CE2 3.8Å; F535-F544 HydrophobicContact CE1-CZ 4.42Å; F535-F544 HydrophobicContact CE2-CE1 4.45Å; F535-F544 AromaticContact CE2-CE2 3.95Å; F535-F544 HydrophobicContact CE2-CE2 3.95Å; F535-F544 AromaticContact CE2-CZ 3.73Å; F535-F544 HydrophobicContact CE2-CZ 3.73Å; F535-F544 HydrophobicContact CG-CE2 4.29Å; F535-F544 HydrophobicContact CG-CZ 4.43Å; F535-F544 HydrophobicContact CZ-CD2 4.26Å; F535-F544 AromaticContact CZ-CE2 3.7Å; F535-F544 HydrophobicContact CZ-CE2 3.7Å; F535-F544 AromaticContact CZ-CZ 3.94Å; F535-F544 HydrophobicContact CZ-CZ 3.94Å; K538-F544 HydrophobicContact CB-CD2 4.36Å; K538-F544 HydrophobicContact CB-CE2 3.59Å; K538-F544 HydrophobicContact CB-CZ 3.72Å; K538-F544 HydrophobicContact CD-CZ 4.09Å; Q539-F544 HydrophobicContact CB-CD2 3.96Å; Q539-F544 HydrophobicContact CB-CE2 4.16Å; Q539-F544 HydrophobicContact CG-CD2 4.47Å; G542-F544 VanDerWaalsContact C-N 3.27Å; G542-F544 PolarHBondContact O-N 3.21Å; F544-Q546 VanDerWaalsContact C-N 3.34Å; F544-T547 HydrophobicContact CB-CG2 3.66Å; F544-T547 HydrophobicContact CD2-CG2 3.55Å; F544-T547 HydrophobicContact CE2-CG2 4.42Å; F544-T547 HydrophobicContact CG-CG2 3.79Å; F544-G556 VanDerWaalsContact CD1-C 3.48Å; F544-L557 CarbonylContact C-O 3.42Å; F544-L557 VanDerWaalsContact CA-O 3.25Å; F544-L557 WeakPolarHBondContact CA-O 3.38Å
545	I	67.3	Low	71.3	Confident	23 Å²	23	56.4 Å²	56.4	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	-47.7	165	-59.4	172.8	0	0	0	109.3	L557 W559 L562 A587 L589	I545-L557 HydrophobicContact CB-CD2 4.43Å; I545-L557 WeakPolarHBondContact CB-O 3.17Å; I545-L557 HydrophobicContact CD1-CD2 4.04Å; I545-L557 HydrophobicContact CD1-CG 4.13Å; I545-L557 PolarHBondContact N-O 3.32Å; I545-W559 HydrophobicContact CD1-CD2 3.96Å; I545-W559 HydrophobicContact CD1-CE3 3.95Å; I545-W559 HydrophobicContact CD1-CG 4.35Å; I545-W559 HydrophobicContact CD1-CZ3 4.31Å; I545-W559 HydrophobicContact CG1-CB 4.42Å; I545-W559 HydrophobicContact CG1-CD2 3.47Å; I545-W559 VanDerWaalsContact CG1-CD2 3.47Å; I545-W559 HydrophobicContact CG1-CE3 3.99Å; I545-W559 HydrophobicContact CG1-CG 3.65Å; I545-W559 HydrophobicContact CG1-CH2 4.48Å; I545-W559 HydrophobicContact CG1-CZ2 4.04Å; I545-W559 HydrophobicContact CG1-CZ3 4.46Å; I545-W559 HydrophobicContact CG2-CZ2 4.48Å; I545-L562 HydrophobicContact CD1-CB 3.94Å; I545-L562 HydrophobicContact CD1-CD2 3.52Å; I545-L562 HydrophobicContact CD1-CG 4.38Å; I545-A587 HydrophobicContact CG2-CB 3.5Å; I545-A587 VanDerWaalsContact CG2-CB 3.5Å; I545-L589 HydrophobicContact CD1-CD1 4.3Å; I545-L589 HydrophobicContact CG2-CD1 3.86Å
546	Q	70.4	Confident	71.1	Confident	28 Å²	28	56.4 Å²	56.4	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.4	-178.9	179	179.1	11	0	0	109.8	F544 G556 L557 E579 L580	F544-Q546 VanDerWaalsContact C-N 3.34Å; Q546-G556 WeakPolarHBondContact O-CA 3.43Å; Q546-L557 PolarHBondContact O-N 3.16Å; Q546-E579 PolarHBondContact NE2-O 3.07Å; Q546-L580 PolarHBondContact OE1-O 3.49Å
547	T	73.4	Confident	71.3	Confident	56 Å²	56	54 Å²	54	34%	0.344	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.7	166.8	57.9	0	0	0	0	110.7	F535 Q539 F544 Y555	F535-T547 HydrophobicContact CE1-CG2 4.17Å; F535-T547 HydrophobicContact CZ-CG2 4.11Å; Q539-T547 HydrophobicContact CG-CG2 4.11Å; Q539-T547 PolarHBondContact NE2-OG1 3.23Å; F544-T547 HydrophobicContact CB-CG2 3.66Å; F544-T547 HydrophobicContact CD2-CG2 3.55Å; F544-T547 HydrophobicContact CE2-CG2 4.42Å; F544-T547 HydrophobicContact CG-CG2 3.79Å; T547-Y555 CarbonylContact C-O 3.59Å; T547-Y555 WeakPolarHBondContact CA-O 3.27Å
548	A	68.8	Low	71.3	Confident	35 Å²	35	48 Å²	48	29%	0.289	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.5	173	0	0	0	0	0	109.7	I550 Y555	A548-I550 HydrophobicContact CB-CD1 4.48Å; A548-I550 HydrophobicContact CB-CG1 4.4Å; A548-Y555 PolarHBondContact N-O 2.82Å; A548-Y555 PolarHBondContact O-N 3.46Å
549	Q	63.4	Low	71.2	Confident	129 Å²	129	49.6 Å²	49.6	60%	0.603	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.9	170.9	-168	173.3	8.1	0	0	108.8	G552 Y553	Q549-G552 PolarHBondContact NE2-O 2.85Å; Q549-G552 VanDerWaalsContact NE2-O 3.14Å; Q549-Y553 CarbonylContact C-O 3.5Å; Q549-Y553 VanDerWaalsContact CA-O 3.27Å; Q549-Y553 WeakPolarHBondContact CA-O 3.35Å; Q549-Y553 WeakPolarHBondContact CG-O 3.5Å
550	I	59.4	Low	71.5	Confident	78 Å²	78	51.9 Å²	51.9	40%	0.4	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.4	-174.1	-55.6	172.8	0	0	0	107.7	A548 G552 Y553 Y555	A548-I550 HydrophobicContact CB-CD1 4.48Å; A548-I550 HydrophobicContact CB-CG1 4.4Å; I550-G552 PolarHBondContact O-N 3.23Å; I550-Y553 PolarHBondContact N-O 3.04Å; I550-Y553 PolarHBondContact O-N 3.49Å; I550-Y555 HydrophobicContact CB-CD2 4.03Å; I550-Y555 HydrophobicContact CB-CE2 3.85Å; I550-Y555 HydrophobicContact CD1-CD2 4.16Å; I550-Y555 HydrophobicContact CD1-CE2 4.47Å; I550-Y555 HydrophobicContact CG1-CD2 4.2Å; I550-Y555 HydrophobicContact CG1-CE2 4.47Å
551	M	58.3	Low	72.1	Confident	52 Å²	52	48.2 Å²	48.2	26%	0.256	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	39	-177.9	-59.3	-176.6	175.3	0	0	113.2	Y553 I615 W639	M551-Y553 WeakPolarHBondContact O-CD2 3.06Å; M551-Y553 PolarHBondContact O-N 3Å; M551-I615 HydrophobicContact SD-CD1 4.2Å; M551-W639 HydrophobicContact CB-CH2 4.28Å; M551-W639 HydrophobicContact CB-CZ3 4.48Å; M551-W639 HydrophobicContact CE-CE3 3.94Å; M551-W639 HydrophobicContact CE-CZ3 3.64Å; M551-W639 HydrophobicContact CG-CH2 3.82Å; M551-W639 HydrophobicContact CG-CZ3 3.65Å; M551-W639 HydrophobicContact SD-CZ3 3.86Å
552	G	62.2	Low	72.7	Confident	42 Å²	42	44 Å²	44	43%	0.433	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-18	-179.6	0	0	0	0	0	115.5	Q549 I550	Q549-G552 PolarHBondContact NE2-O 2.85Å; Q549-G552 VanDerWaalsContact NE2-O 3.14Å; I550-G552 PolarHBondContact O-N 3.23Å
553	Y	72.5	Confident	73.2	Confident	75 Å²	75	45.1 Å²	45.1	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.7	178.3	-59.8	-73.4	0	0	0	112	D476 R477 Q549 I550 M551	D476-Y553 VanDerWaalsContact OD1-CA 3.3Å; D476-Y553 WeakPolarHBondContact OD1-CA 3.47Å; D476-Y553 WeakPolarHBondContact OD1-CB 3.44Å; R477-Y553 HydrophobicContact CB-CD1 3.81Å; R477-Y553 HydrophobicContact CB-CD2 4.35Å; R477-Y553 HydrophobicContact CB-CE1 4.31Å; R477-Y553 HydrophobicContact CB-CG 3.83Å; R477-Y553 HydrophobicContact CG-CD1 3.94Å; R477-Y553 HydrophobicContact CG-CD2 3.84Å; R477-Y553 HydrophobicContact CG-CE1 4.05Å; R477-Y553 HydrophobicContact CG-CE2 3.95Å; R477-Y553 HydrophobicContact CG-CG 3.82Å; Q549-Y553 CarbonylContact C-O 3.5Å; Q549-Y553 VanDerWaalsContact CA-O 3.27Å; Q549-Y553 WeakPolarHBondContact CA-O 3.35Å; Q549-Y553 WeakPolarHBondContact CG-O 3.5Å; I550-Y553 PolarHBondContact N-O 3.04Å; I550-Y553 PolarHBondContact O-N 3.49Å; M551-Y553 WeakPolarHBondContact O-CD2 3.06Å; M551-Y553 PolarHBondContact O-N 3Å
554	Q	76.7	Confident	73.2	Confident	22 Å²	22	44.5 Å²	44.5	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.3	177.2	-58	179	-80	0	0	110.2	T475 D476 F535 N536	T475-Q554 WeakPolarHBondContact CA-O 3.49Å; T475-Q554 WeakPolarHBondContact CB-O 3.34Å; T475-Q554 PolarHBondContact OG1-O 3.48Å; D476-Q554 PolarHBondContact N-O 3Å; D476-Q554 PolarHBondContact OD1-N 3.25Å; F535-Q554 HydrophobicContact CD1-CB 3.72Å; F535-Q554 HydrophobicContact CD1-CG 4.32Å; F535-Q554 HydrophobicContact CD2-CB 4.21Å; F535-Q554 HydrophobicContact CE1-CB 3.56Å; F535-Q554 HydrophobicContact CE1-CG 4.33Å; F535-Q554 HydrophobicContact CE2-CB 4.06Å; F535-Q554 HydrophobicContact CG-CB 4.08Å; F535-Q554 HydrophobicContact CZ-CB 3.75Å; N536-Q554 PolarHBondContact OD1-NE2 2.86Å; N536-Q554 VanDerWaalsContact OD1-NE2 3.09Å; N536-Q554 PolarHBondContact OD1-OE1 3.4Å
555	Y	78.3	Confident	73.1	Confident	39 Å²	39	43.7 Å²	43.7	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.1	176.2	-67.9	-92.9	0	0	0	109.1	H474 T475 R477 Y527 F535 T547 A548 I550	H474-Y555 CarbonylContact O-C 3.27Å; H474-Y555 VanDerWaalsContact O-CA 3.27Å; H474-Y555 WeakPolarHBondContact O-CA 3.27Å; T475-Y555 HydrophobicContact CG2-CE1 4.32Å; T475-Y555 WeakPolarHBondContact OG1-CE1 3.28Å; R477-Y555 WeakPolarHBondContact CD-OH 3.43Å; Y527-Y555 HydrophobicContact CD1-CD1 4.42Å; Y527-Y555 HydrophobicContact CD1-CE1 4.35Å; Y527-Y555 HydrophobicContact CE1-CD1 4.07Å; Y527-Y555 AromaticContact CE1-CE1 3.89Å; Y527-Y555 HydrophobicContact CE1-CE1 3.89Å; F535-Y555 VanDerWaalsContact CZ-C 3.45Å; T547-Y555 CarbonylContact C-O 3.59Å; T547-Y555 WeakPolarHBondContact CA-O 3.27Å; A548-Y555 PolarHBondContact N-O 2.82Å; A548-Y555 PolarHBondContact O-N 3.46Å; I550-Y555 HydrophobicContact CB-CD2 4.03Å; I550-Y555 HydrophobicContact CB-CE2 3.85Å; I550-Y555 HydrophobicContact CD1-CD2 4.16Å; I550-Y555 HydrophobicContact CD1-CE2 4.47Å; I550-Y555 HydrophobicContact CG1-CD2 4.2Å; I550-Y555 HydrophobicContact CG1-CE2 4.47Å
556	G	80	Confident	73.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.6	-173.2	0	0	0	0	0	112.3	C473 H474 F544 Q546	C473-G556 CarbonylContact C-O 3.45Å; C473-G556 WeakPolarHBondContact CA-O 3.26Å; H474-G556 PolarHBondContact N-O 3.12Å; H474-G556 PolarHBondContact O-N 3.28Å; F544-G556 VanDerWaalsContact CD1-C 3.48Å; Q546-G556 WeakPolarHBondContact O-CA 3.43Å
557	L	81.5	Confident	72.9	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.5	173	-178.1	68.5	0	0	0	109.1	L471 F544 I545 Q546 L584	L471-L557 HydrophobicContact CD1-CD1 3.65Å; L471-L557 HydrophobicContact CD2-CD1 4.07Å; L471-L557 HydrophobicContact CD2-CD2 4.22Å; L471-L557 HydrophobicContact CG-CD1 3.59Å; F544-L557 CarbonylContact C-O 3.42Å; F544-L557 VanDerWaalsContact CA-O 3.25Å; F544-L557 WeakPolarHBondContact CA-O 3.38Å; I545-L557 HydrophobicContact CB-CD2 4.43Å; I545-L557 WeakPolarHBondContact CB-O 3.17Å; I545-L557 HydrophobicContact CD1-CD2 4.04Å; I545-L557 HydrophobicContact CD1-CG 4.13Å; I545-L557 PolarHBondContact N-O 3.32Å; Q546-L557 PolarHBondContact O-N 3.16Å; L557-L584 HydrophobicContact CD2-CD2 3.57Å
558	S	81.4	Confident	72.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.8	-175.6	71.1	0	0	0	0	113.7	H474 E543 E560 I561 L562	H474-S558 PolarHBondContact CE1-OG 3.18Å; E543-S558 VanDerWaalsContact O-CA 3.26Å; E543-S558 WeakPolarHBondContact O-CA 3.32Å; E543-S558 WeakPolarHBondContact O-CB 3.39Å; S558-E560 VanDerWaalsContact C-N 3.31Å; S558-I561 VanDerWaalsContact OG-CD1 3.31Å; S558-I561 WeakPolarHBondContact OG-CD1 3.27Å; S558-I561 VanDerWaalsContact OG-CG1 3.26Å; S558-I561 WeakPolarHBondContact OG-CG1 3.37Å; S558-I561 PolarHBondContact OG-N 3.02Å; S558-L562 PolarHBondContact O-N 3.1Å
559	W	75.5	Confident	72.2	Confident	73 Å²	73	57.1 Å²	57.1	28%	0.277	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-39.3	172.3	-81.2	109.9	0	0	0	111.9	Y440 E543 I545 I561 L562 E563 L589	Y440-W559 HydrophobicContact CD2-CZ3 4.44Å; Y440-W559 HydrophobicContact CE2-CZ3 4.11Å; E543-W559 PolarHBondContact O-N 2.7Å; I545-W559 HydrophobicContact CD1-CD2 3.96Å; I545-W559 HydrophobicContact CD1-CE3 3.95Å; I545-W559 HydrophobicContact CD1-CG 4.35Å; I545-W559 HydrophobicContact CD1-CZ3 4.31Å; I545-W559 HydrophobicContact CG1-CB 4.42Å; I545-W559 HydrophobicContact CG1-CD2 3.47Å; I545-W559 VanDerWaalsContact CG1-CD2 3.47Å; I545-W559 HydrophobicContact CG1-CE3 3.99Å; I545-W559 HydrophobicContact CG1-CG 3.65Å; I545-W559 HydrophobicContact CG1-CH2 4.48Å; I545-W559 HydrophobicContact CG1-CZ2 4.04Å; I545-W559 HydrophobicContact CG1-CZ3 4.46Å; I545-W559 HydrophobicContact CG2-CZ2 4.48Å; W559-I561 VanDerWaalsContact C-N 3.27Å; W559-I561 PolarHBondContact O-N 3.35Å; W559-L562 HydrophobicContact CE3-CD2 4.19Å; W559-L562 HydrophobicContact CZ3-CD2 3.93Å; W559-L562 PolarHBondContact O-N 3.12Å; W559-L562 VanDerWaalsContact O-N 3.12Å; W559-E563 WeakPolarHBondContact O-CB 3.23Å; W559-E563 WeakPolarHBondContact O-CG 3.26Å; W559-E563 PolarHBondContact O-N 3.15Å; W559-L589 HydrophobicContact CH2-CD2 4.13Å; W559-L589 HydrophobicContact CZ3-CD2 4.29Å
560	E	79.9	Confident	72.4	Confident	123 Å²	123	52.3 Å²	52.3	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-53.3	-43.5	179.7	-175.8	-177.5	-175.1	0	0	112.3	S558 S564	S558-E560 VanDerWaalsContact C-N 3.31Å; E560-S564 VanDerWaalsContact O-CB 3.24Å; E560-S564 WeakPolarHBondContact O-CB 3.35Å; E560-S564 PolarHBondContact O-N 3.21Å
561	I	80.3	Confident	73.3	Confident	18 Å²	18	48.9 Å²	48.9	9%	0.092	24%	0.243	C	C	.	.	H	α-helix	trans	-69.7	-46.6	179.4	-61.6	165.5	0	0	0	110	L471 I472 Y528 S558 W559 E563 S564 I565	L471-I561 HydrophobicContact CD1-CB 4.27Å; L471-I561 HydrophobicContact CD1-CG2 3.6Å; I472-I561 HydrophobicContact CG1-CD1 4.44Å; I472-I561 VanDerWaalsContact O-CD1 3.25Å; I472-I561 WeakPolarHBondContact O-CD1 3.4Å; Y528-I561 HydrophobicContact CD2-CD1 3.59Å; Y528-I561 HydrophobicContact CD2-CG1 4.49Å; Y528-I561 HydrophobicContact CE2-CD1 3.43Å; Y528-I561 VanDerWaalsContact CE2-CD1 3.43Å; Y528-I561 HydrophobicContact CE2-CG1 3.91Å; S558-I561 VanDerWaalsContact OG-CD1 3.31Å; S558-I561 WeakPolarHBondContact OG-CD1 3.27Å; S558-I561 VanDerWaalsContact OG-CG1 3.26Å; S558-I561 WeakPolarHBondContact OG-CG1 3.37Å; S558-I561 PolarHBondContact OG-N 3.02Å; W559-I561 VanDerWaalsContact C-N 3.27Å; W559-I561 PolarHBondContact O-N 3.35Å; I561-E563 VanDerWaalsContact C-N 3.34Å; I561-E563 PolarHBondContact O-N 3.5Å; I561-S564 WeakPolarHBondContact O-CB 3.39Å; I561-S564 PolarHBondContact O-N 3.14Å; I561-I565 HydrophobicContact CG2-CD1 4.25Å; I561-I565 WeakPolarHBondContact O-CG1 3.44Å; I561-I565 PolarHBondContact O-N 3.07Å
562	L	79.2	Confident	74.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-42	-179.4	-175.6	61.6	0	0	0	111.8	Y440 I442 L471 I545 S558 W559 I565 A566 L589	Y440-L562 HydrophobicContact CD1-CD1 4.48Å; Y440-L562 HydrophobicContact CD1-CD2 4.08Å; Y440-L562 HydrophobicContact CD1-CG 3.78Å; Y440-L562 HydrophobicContact CG-CD2 4Å; Y440-L562 HydrophobicContact CG-CG 4.15Å; I442-L562 HydrophobicContact CD1-CD1 3.79Å; I442-L562 HydrophobicContact CD1-CD2 4.09Å; I442-L562 HydrophobicContact CG1-CD1 3.85Å; L471-L562 HydrophobicContact CD1-CB 4.46Å; L471-L562 HydrophobicContact CD1-CD1 4.47Å; L471-L562 HydrophobicContact CD2-CD1 3.96Å; I545-L562 HydrophobicContact CD1-CB 3.94Å; I545-L562 HydrophobicContact CD1-CD2 3.52Å; I545-L562 HydrophobicContact CD1-CG 4.38Å; S558-L562 PolarHBondContact O-N 3.1Å; W559-L562 HydrophobicContact CE3-CD2 4.19Å; W559-L562 HydrophobicContact CZ3-CD2 3.93Å; W559-L562 PolarHBondContact O-N 3.12Å; W559-L562 VanDerWaalsContact O-N 3.12Å; L562-I565 PolarHBondContact O-N 3.15Å; L562-A566 PolarHBondContact O-N 3.16Å; L562-L589 HydrophobicContact CD2-CD1 3.88Å; L562-L589 HydrophobicContact CD2-CD2 3.94Å
563	E	77.3	Confident	75.7	Confident	65 Å²	65	44.4 Å²	44.4	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-66.2	-39	174.1	-71.2	-173.8	-177.8	0	0	112.5	Y440 W559 I561 I565 A566 R567	Y440-E563 HydrophobicContact CE1-CG 4.25Å; W559-E563 WeakPolarHBondContact O-CB 3.23Å; W559-E563 WeakPolarHBondContact O-CG 3.26Å; W559-E563 PolarHBondContact O-N 3.15Å; I561-E563 VanDerWaalsContact C-N 3.34Å; I561-E563 PolarHBondContact O-N 3.5Å; E563-I565 VanDerWaalsContact C-N 3.29Å; E563-I565 PolarHBondContact O-N 3.22Å; E563-A566 PolarHBondContact O-N 3.08Å; E563-R567 WeakPolarHBondContact O-CB 3.5Å; E563-R567 WeakPolarHBondContact O-CG 3.18Å; E563-R567 PolarHBondContact O-N 2.78Å; E563-R567 IonicContact OE2-CZ 3.89Å; E563-R567 IonicContact OE2-NH1 3.41Å; E563-R567 PolarHBondContact OE2-NH1 3.32Å; E563-R567 VanDerWaalsContact OE2-NH1 3.14Å; E563-R567 IonicContact OE2-NH2 3.59Å; E563-R567 PolarHBondContact OE2-NH2 3.36Å
564	S	74.4	Confident	76.5	Confident	48 Å²	48	40.9 Å²	40.9	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-59.9	-41	176.2	-179.1	0	0	0	0	111.5	E560 I561 R568	E560-S564 VanDerWaalsContact O-CB 3.24Å; E560-S564 WeakPolarHBondContact O-CB 3.35Å; E560-S564 PolarHBondContact O-N 3.21Å; I561-S564 WeakPolarHBondContact O-CB 3.39Å; I561-S564 PolarHBondContact O-N 3.14Å; S564-R568 WeakPolarHBondContact O-CG 3.42Å; S564-R568 PolarHBondContact O-N 3.31Å
565	I	74.5	Confident	77.1	Confident	6 Å²	6	41 Å²	41	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-47.9	174.6	-65	176.3	0	0	0	110.7	I469 L471 I561 L562 E563 R567 R568 G569 L570	I469-I565 HydrophobicContact CB-CD1 4.38Å; I469-I565 HydrophobicContact CB-CG1 4.3Å; I469-I565 HydrophobicContact CB-CG2 4.48Å; I469-I565 HydrophobicContact CG2-CD1 3.79Å; I469-I565 HydrophobicContact CG2-CG1 3.75Å; L471-I565 HydrophobicContact CB-CD1 4.03Å; L471-I565 HydrophobicContact CD1-CD1 3.81Å; L471-I565 HydrophobicContact CG-CD1 4.48Å; I561-I565 HydrophobicContact CG2-CD1 4.25Å; I561-I565 WeakPolarHBondContact O-CG1 3.44Å; I561-I565 PolarHBondContact O-N 3.07Å; L562-I565 PolarHBondContact O-N 3.15Å; E563-I565 VanDerWaalsContact C-N 3.29Å; E563-I565 PolarHBondContact O-N 3.22Å; I565-R567 VanDerWaalsContact C-N 3.33Å; I565-R567 PolarHBondContact O-N 3.09Å; I565-R568 WeakPolarHBondContact O-CB 3.16Å; I565-R568 PolarHBondContact O-N 2.97Å; I565-G569 PolarHBondContact O-N 3.41Å; I565-L570 HydrophobicContact CG2-CB 4.29Å; I565-L570 VanDerWaalsContact CG2-O 3.31Å; I565-L570 WeakPolarHBondContact CG2-O 3.5Å; I565-L570 PolarHBondContact O-N 2.77Å
566	A	69.1	Low	77.4	Confident	31 Å²	31	39.9 Å²	39.9	26%	0.256	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-37.6	179.7	0	0	0	0	0	112.8	Y440 L562 E563 R568 G569	Y440-A566 HydrophobicContact CD1-CB 3.82Å; Y440-A566 HydrophobicContact CE1-CB 4.09Å; L562-A566 PolarHBondContact O-N 3.16Å; E563-A566 PolarHBondContact O-N 3.08Å; A566-R568 PolarHBondContact O-N 2.9Å; A566-G569 PolarHBondContact O-N 3.06Å
567	R	64.9	Low	77.5	Confident	181 Å²	181	41.5 Å²	41.5	68%	0.683	21%	0.206	S	C	*	.	H	α-helix	trans	-60.3	-28	173.7	-77.9	-179	-175.2	99.2	9.3	112.9	E563 I565 G569	E563-R567 WeakPolarHBondContact O-CB 3.5Å; E563-R567 WeakPolarHBondContact O-CG 3.18Å; E563-R567 PolarHBondContact O-N 2.78Å; E563-R567 IonicContact OE2-CZ 3.89Å; E563-R567 IonicContact OE2-NH1 3.41Å; E563-R567 PolarHBondContact OE2-NH1 3.32Å; E563-R567 VanDerWaalsContact OE2-NH1 3.14Å; E563-R567 IonicContact OE2-NH2 3.59Å; E563-R567 PolarHBondContact OE2-NH2 3.36Å; I565-R567 VanDerWaalsContact C-N 3.33Å; I565-R567 PolarHBondContact O-N 3.09Å; R567-G569 VanDerWaalsContact C-N 3.28Å
568	R	67.2	Low	77.3	Confident	170 Å²	170	41.3 Å²	41.3	64%	0.642	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.4	174.7	-64.1	175.7	-175.9	-160.7	-0.3	112.9	S564 I565 A566 L570	S564-R568 WeakPolarHBondContact O-CG 3.42Å; S564-R568 PolarHBondContact O-N 3.31Å; I565-R568 WeakPolarHBondContact O-CB 3.16Å; I565-R568 PolarHBondContact O-N 2.97Å; A566-R568 PolarHBondContact O-N 2.9Å; R568-L570 VanDerWaalsContact C-N 3.28Å; R568-L570 HydrophobicContact CB-CD1 3.96Å; R568-L570 HydrophobicContact CB-CG 4.15Å; R568-L570 PolarHBondContact O-N 2.74Å
569	G	60.6	Low	76.8	Confident	42 Å²	42	43.3 Å²	43.3	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	18.4	-176.3	0	0	0	0	0	114	I565 A566 R567	I565-G569 PolarHBondContact O-N 3.41Å; A566-G569 PolarHBondContact O-N 3.06Å; R567-G569 VanDerWaalsContact C-N 3.28Å
570	L	68.3	Low	76.8	Confident	28 Å²	28	40.9 Å²	40.9	15%	0.147	21%	0.207	C	C	.	.			trans	-105.8	163.4	-175.7	-61.5	170.3	0	0	0	111.2	N466 I469 I565 R568	N466-L570 VanDerWaalsContact C-CD2 3.46Å; N466-L570 WeakPolarHBondContact O-CD2 3.34Å; I469-L570 HydrophobicContact CD1-CD1 3.34Å; I469-L570 HydrophobicContact CG1-CD1 3.73Å; I565-L570 HydrophobicContact CG2-CB 4.29Å; I565-L570 VanDerWaalsContact CG2-O 3.31Å; I565-L570 WeakPolarHBondContact CG2-O 3.5Å; I565-L570 PolarHBondContact O-N 2.77Å; R568-L570 VanDerWaalsContact C-N 3.28Å; R568-L570 HydrophobicContact CB-CD1 3.96Å; R568-L570 HydrophobicContact CB-CG 4.15Å; R568-L570 PolarHBondContact O-N 2.74Å
571	A	77.4	Confident	76.5	Confident	6 Å²	6	35 Å²	35	5%	0.05	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.3	173.9	0	0	0	0	0	112.1	P441 Y467 F468 I469	P441-A571 HydrophobicContact CB-CB 3.89Å; P441-A571 HydrophobicContact CG-CB 4.04Å; P441-A571 WeakPolarHBondContact O-CA 3.3Å; Y467-A571 PolarHBondContact O-N 3.27Å; F468-A571 VanDerWaalsContact CA-O 3.31Å; F468-A571 WeakPolarHBondContact CA-O 3.27Å; F468-A571 HydrophobicContact CD1-CB 3.63Å; F468-A571 HydrophobicContact CE1-CB 3.62Å; I469-A571 PolarHBondContact N-O 3.32Å
572	G	81.8	Confident	75.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.2	178.6	0	0	0	0	0	112	P441 I442 L443 I469	P441-G572 PolarHBondContact O-N 3.38Å; I442-G572 CarbonylContact C-O 3.6Å; I442-G572 VanDerWaalsContact CA-O 3.31Å; I442-G572 WeakPolarHBondContact CA-O 3.35Å; L443-G572 PolarHBondContact N-O 3.08Å; I469-G572 CarbonylContact O-C 3.53Å; I469-G572 WeakPolarHBondContact O-CA 3.37Å
573	I	88.9	Confident	75.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.1	170.2	-53.7	-174.7	0	0	0	109.9	L443 I445 R457 L460 F468 I469 L471	L443-I573 HydrophobicContact CB-CG1 4.27Å; L443-I573 HydrophobicContact CD2-CD1 4.22Å; L443-I573 HydrophobicContact CD2-CG1 4.24Å; L443-I573 CarbonylContact O-C 3.43Å; L443-I573 WeakPolarHBondContact O-CA 3.27Å; I445-I573 HydrophobicContact CD1-CG2 3.79Å; I445-I573 HydrophobicContact CG1-CG2 4.28Å; R457-I573 HydrophobicContact CB-CG2 4.12Å; R457-I573 WeakPolarHBondContact CD-O 3.27Å; R457-I573 HydrophobicContact CG-CB 3.95Å; R457-I573 HydrophobicContact CG-CG2 3.7Å; L460-I573 HydrophobicContact CB-CD1 3.93Å; L460-I573 HydrophobicContact CD1-CD1 4.13Å; F468-I573 HydrophobicContact CB-CD1 3.63Å; F468-I573 HydrophobicContact CB-CG1 3.83Å; F468-I573 HydrophobicContact CD1-CD1 3.78Å; F468-I573 HydrophobicContact CD1-CG1 3.48Å; F468-I573 VanDerWaalsContact CD1-CG1 3.48Å; F468-I573 HydrophobicContact CD2-CD1 4.39Å; F468-I573 HydrophobicContact CE1-CG1 4.3Å; F468-I573 HydrophobicContact CG-CD1 3.68Å; F468-I573 HydrophobicContact CG-CG1 3.86Å; I469-I573 PolarHBondContact O-N 3.21Å; L471-I573 PolarHBondContact N-O 3.04Å
574	V	90	Very high	74.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.2	177	71.1	0	0	0	0	110.4	I442 L443 A444 I445 L471 L580 L584	I442-V574 HydrophobicContact CG2-CG1 3.7Å; L443-V574 PolarHBondContact O-N 2.78Å; A444-V574 WeakPolarHBondContact CA-O 3.09Å; A444-V574 HydrophobicContact CB-CG1 3.84Å; I445-V574 PolarHBondContact N-O 3.07Å; L471-V574 HydrophobicContact CB-CB 4.16Å; L471-V574 HydrophobicContact CD2-CB 4.12Å; L471-V574 HydrophobicContact CD2-CG2 4.48Å; L471-V574 HydrophobicContact CG-CB 4.31Å; L471-V574 HydrophobicContact CG-CG2 4.41Å; V574-L580 HydrophobicContact CB-CD2 4.37Å; V574-L580 HydrophobicContact CG1-CD2 4.03Å; V574-L580 HydrophobicContact CG2-CD1 4.13Å; V574-L580 HydrophobicContact CG2-CD2 3.65Å; V574-L580 HydrophobicContact CG2-CG 4.42Å; V574-L584 HydrophobicContact CG1-CD1 3.87Å
575	V	88.7	Confident	74.5	Confident	25 Å²	25	32.6 Å²	32.6	15%	0.152	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.3	-179.4	-55.8	0	0	0	0	109.6	I445 K453 R457 L580	I445-V575 HydrophobicContact CB-CG1 4.2Å; I445-V575 HydrophobicContact CD1-CG1 4.31Å; I445-V575 WeakPolarHBondContact O-CA 3.32Å; K453-V575 HydrophobicContact CB-CB 4.03Å; K453-V575 HydrophobicContact CB-CG1 4.23Å; K453-V575 WeakPolarHBondContact O-CG1 3.15Å; R457-V575 HydrophobicContact CB-CG1 3.65Å; R457-V575 HydrophobicContact CG-CG1 4.33Å; V575-L580 WeakPolarHBondContact O-CD2 3.33Å
576	G	84.8	Confident	73.7	Confident	15 Å²	15	38.4 Å²	38.4	16%	0.155	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-164.6	178.6	0	0	0	0	0	113.7	I445 I446 G447 K453	I445-G576 PolarHBondContact O-N 3.35Å; I445-G576 VanDerWaalsContact O-N 3.12Å; I446-G576 WeakPolarHBondContact CA-O 3.3Å; G447-G576 PolarHBondContact N-O 3.32Å; G447-G576 VanDerWaalsContact N-O 3.14Å; K453-G576 VanDerWaalsContact CE-O 3.28Å; K453-G576 WeakPolarHBondContact CE-O 3.41Å
577	E	82.2	Confident	73.3	Confident	34 Å²	34	38.7 Å²	38.7	16%	0.159	19%	0.194	C	C	.	.			trans	-102.2	-171.4	174.4	-53.8	-157.5	147.9	0	0	110.3	V449 E579 L580	V449-E577 WeakPolarHBondContact CG2-OE1 3.42Å; V449-E577 PolarHBondContact N-OE1 2.95Å; V449-E577 VanDerWaalsContact N-OE1 3.13Å; E577-E579 PolarHBondContact O-N 2.79Å; E577-L580 WeakPolarHBondContact O-CB 3.3Å; E577-L580 PolarHBondContact O-N 2.94Å; E577-L580 VanDerWaalsContact O-N 3.16Å
578	L	75.9	Confident	73.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-38.2	-175.4	-67.9	161.9	0	0	0	112.8	I446 L580 L581 Y582 L650 Y651 I654 F662	I446-L578 HydrophobicContact CG2-CD2 4.28Å; L578-L580 PolarHBondContact O-N 2.88Å; L578-L581 WeakPolarHBondContact O-CB 3.5Å; L578-L581 PolarHBondContact O-N 2.83Å; L578-L581 VanDerWaalsContact O-N 3.07Å; L578-Y582 HydrophobicContact CB-CD2 4.45Å; L578-Y582 HydrophobicContact CB-CE2 4.33Å; L578-Y582 WeakPolarHBondContact O-CD2 3.43Å; L578-Y582 PolarHBondContact O-N 2.69Å; L578-Y582 VanDerWaalsContact O-N 3.09Å; L578-L650 HydrophobicContact CD1-CD2 3.83Å; L578-L650 HydrophobicContact CD1-CG 4.34Å; L578-Y651 HydrophobicContact CD1-CD1 3.9Å; L578-Y651 HydrophobicContact CD1-CD2 4.31Å; L578-Y651 HydrophobicContact CD1-CE1 3.79Å; L578-Y651 HydrophobicContact CD1-CE2 4.18Å; L578-Y651 HydrophobicContact CD1-CG 4.19Å; L578-Y651 HydrophobicContact CD2-CD1 3.76Å; L578-Y651 HydrophobicContact CD2-CE1 3.68Å; L578-Y651 HydrophobicContact CG-CD1 3.85Å; L578-Y651 HydrophobicContact CG-CE1 3.42Å; L578-Y651 VanDerWaalsContact CG-CE1 3.42Å; L578-I654 HydrophobicContact CD1-CD1 3.51Å; L578-I654 HydrophobicContact CD2-CD1 4.2Å; L578-I654 HydrophobicContact CD2-CG2 4.23Å; L578-I654 HydrophobicContact CG-CD1 4.37Å; L578-F662 HydrophobicContact CD2-CZ 3.71Å
579	E	71.7	Confident	73.3	Confident	42 Å²	42	25.4 Å²	25.4	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-36	-178.8	-68.9	76.2	-171.8	0	0	112	Q546 E577 G583 R646	Q546-E579 PolarHBondContact NE2-O 3.07Å; E577-E579 PolarHBondContact O-N 2.79Å; E579-G583 PolarHBondContact O-N 3.06Å; E579-R646 IonicContact OE1-CZ 3.01Å; E579-R646 VanDerWaalsContact OE1-CZ 3.25Å; E579-R646 IonicContact OE1-NH1 3.22Å; E579-R646 PolarHBondContact OE1-NH1 2.9Å; E579-R646 IonicContact OE1-NH2 3.49Å; E579-R646 PolarHBondContact OE1-NH2 2.95Å; E579-R646 IonicContact OE2-CZ 2.55Å; E579-R646 IonicContact OE2-NH2 3.22Å; E579-R646 PolarHBondContact OE2-NH2 2.91Å
580	L	76.4	Confident	73.8	Confident	23 Å²	23	27.3 Å²	27.3	12%	0.12	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-46.9	176.2	175.7	70.1	0	0	0	110.6	I446 Q546 V574 V575 E577 L578 Y582 G583 L584	I446-L580 HydrophobicContact CD1-CD2 4.25Å; Q546-L580 PolarHBondContact OE1-O 3.49Å; V574-L580 HydrophobicContact CB-CD2 4.37Å; V574-L580 HydrophobicContact CG1-CD2 4.03Å; V574-L580 HydrophobicContact CG2-CD1 4.13Å; V574-L580 HydrophobicContact CG2-CD2 3.65Å; V574-L580 HydrophobicContact CG2-CG 4.42Å; V575-L580 WeakPolarHBondContact O-CD2 3.33Å; E577-L580 WeakPolarHBondContact O-CB 3.3Å; E577-L580 PolarHBondContact O-N 2.94Å; E577-L580 VanDerWaalsContact O-N 3.16Å; L578-L580 PolarHBondContact O-N 2.88Å; L580-Y582 VanDerWaalsContact C-N 3.33Å; L580-Y582 PolarHBondContact O-N 2.89Å; L580-G583 PolarHBondContact O-N 3.33Å; L580-L584 HydrophobicContact CD1-CD1 4.38Å; L580-L584 HydrophobicContact CD1-CG 4.44Å; L580-L584 HydrophobicContact CG-CD1 4.18Å; L580-L584 WeakPolarHBondContact O-CG 3.38Å; L580-L584 PolarHBondContact O-N 2.97Å
581	L	72.9	Confident	74.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-44.3	-179.4	-179	58.3	0	0	0	111.4	I446 L578 L584 R585 P591 L661 F662	I446-L581 HydrophobicContact CD1-CB 3.92Å; I446-L581 HydrophobicContact CG1-CB 4.08Å; I446-L581 HydrophobicContact CG1-CD2 4.31Å; L578-L581 WeakPolarHBondContact O-CB 3.5Å; L578-L581 PolarHBondContact O-N 2.83Å; L578-L581 VanDerWaalsContact O-N 3.07Å; L581-L584 PolarHBondContact O-N 2.9Å; L581-R585 PolarHBondContact O-N 2.75Å; L581-R585 VanDerWaalsContact O-N 3.12Å; L581-P591 HydrophobicContact CD1-CG 3.76Å; L581-L661 HydrophobicContact CD2-CD1 3.6Å; L581-L661 HydrophobicContact CD2-CD2 4.4Å; L581-L661 HydrophobicContact CD2-CG 3.8Å; L581-L661 HydrophobicContact CG-CD1 4.17Å; L581-F662 HydrophobicContact CD2-CD1 4.04Å; L581-F662 HydrophobicContact CD2-CE1 3.55Å; L581-F662 HydrophobicContact CD2-CZ 4.17Å
582	Y	67.5	Low	74.6	Confident	20 Å²	20	27.8 Å²	27.8	8%	0.078	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-44.3	176.3	-76	-67.3	0	0	0	112.1	L418 I422 L578 L580 L584 R585 L586	L418-Y582 HydrophobicContact CD1-CD2 4.32Å; L418-Y582 HydrophobicContact CD1-CG 4.31Å; I422-Y582 HydrophobicContact CD1-CE1 3.57Å; I422-Y582 WeakPolarHBondContact CD1-OH 3.5Å; I422-Y582 HydrophobicContact CG1-CE1 3.99Å; L578-Y582 HydrophobicContact CB-CD2 4.45Å; L578-Y582 HydrophobicContact CB-CE2 4.33Å; L578-Y582 WeakPolarHBondContact O-CD2 3.43Å; L578-Y582 PolarHBondContact O-N 2.69Å; L578-Y582 VanDerWaalsContact O-N 3.09Å; L580-Y582 VanDerWaalsContact C-N 3.33Å; L580-Y582 PolarHBondContact O-N 2.89Å; Y582-L584 VanDerWaalsContact C-N 3.35Å; Y582-L584 PolarHBondContact O-N 3.31Å; Y582-R585 PolarHBondContact O-N 3.1Å; Y582-L586 WeakPolarHBondContact O-CB 3.35Å; Y582-L586 VanDerWaalsContact O-CG 3.28Å; Y582-L586 WeakPolarHBondContact O-CG 3.22Å; Y582-L586 PolarHBondContact O-N 2.98Å
583	G	67.4	Low	74.9	Confident	10 Å²	10	27.8 Å²	27.8	10%	0.103	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-37.5	179.6	0	0	0	0	0	113.6	E579 L580 L586 A587	E579-G583 PolarHBondContact O-N 3.06Å; L580-G583 PolarHBondContact O-N 3.33Å; G583-L586 PolarHBondContact O-N 2.87Å; G583-A587 PolarHBondContact O-N 3.1Å
584	L	68.5	Low	75	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-46.6	172.7	-68.2	170.6	0	0	0	111.8	I442 A444 L557 V574 L580 L581 Y582 L586 A587 G588 L589 P591	I442-L584 HydrophobicContact CD1-CD2 4.31Å; I442-L584 HydrophobicContact CG2-CD1 4.41Å; A444-L584 HydrophobicContact CB-CD1 4.5Å; L557-L584 HydrophobicContact CD2-CD2 3.57Å; V574-L584 HydrophobicContact CG1-CD1 3.87Å; L580-L584 HydrophobicContact CD1-CD1 4.38Å; L580-L584 HydrophobicContact CD1-CG 4.44Å; L580-L584 HydrophobicContact CG-CD1 4.18Å; L580-L584 WeakPolarHBondContact O-CG 3.38Å; L580-L584 PolarHBondContact O-N 2.97Å; L581-L584 PolarHBondContact O-N 2.9Å; Y582-L584 VanDerWaalsContact C-N 3.35Å; Y582-L584 PolarHBondContact O-N 3.31Å; L584-L586 PolarHBondContact O-N 2.93Å; L584-A587 WeakPolarHBondContact O-CB 3.18Å; L584-A587 PolarHBondContact O-N 3.32Å; L584-G588 PolarHBondContact O-N 3.5Å; L584-L589 HydrophobicContact CD2-CD1 3.72Å; L584-L589 VanDerWaalsContact O-CB 3.31Å; L584-L589 WeakPolarHBondContact O-CB 3.34Å; L584-L589 PolarHBondContact O-N 2.7Å; L584-P591 HydrophobicContact CB-CG 3.98Å; L584-P591 HydrophobicContact CD1-CB 4.23Å; L584-P591 HydrophobicContact CD1-CG 4.11Å
585	R	66.1	Low	75.1	Confident	51 Å²	51	27.9 Å²	27.9	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-37.9	178.8	-73.8	-173.1	171.6	-152.5	-0.7	112.4	L581 Y582 A587 G588 G660 L661	L581-R585 PolarHBondContact O-N 2.75Å; L581-R585 VanDerWaalsContact O-N 3.12Å; Y582-R585 PolarHBondContact O-N 3.1Å; R585-A587 VanDerWaalsContact C-N 3.27Å; R585-A587 PolarHBondContact O-N 2.76Å; R585-G588 WeakPolarHBondContact O-CA 3.27Å; R585-G588 PolarHBondContact O-N 3.07Å; R585-G660 PolarHBondContact NH2-O 2.83Å; R585-L661 VanDerWaalsContact CZ-CD1 3.48Å; R585-L661 PolarHBondContact NH2-O 3.14Å
586	L	56.7	Low	75.3	Confident	129 Å²	129	26.7 Å²	26.7	68%	0.675	15%	0.153	S	C	*	.	H	α-helix	trans	-64.2	-31.9	174	-74.7	171.4	0	0	0	112.5	L418 Y582 G583 L584 G588	L418-L586 HydrophobicContact CD2-CD1 4.19Å; Y582-L586 WeakPolarHBondContact O-CB 3.35Å; Y582-L586 VanDerWaalsContact O-CG 3.28Å; Y582-L586 WeakPolarHBondContact O-CG 3.22Å; Y582-L586 PolarHBondContact O-N 2.98Å; G583-L586 PolarHBondContact O-N 2.87Å; L584-L586 PolarHBondContact O-N 2.93Å; L586-G588 PolarHBondContact O-N 2.93Å
587	A	62.1	Low	75.6	Confident	36 Å²	36	27.1 Å²	27.1	30%	0.298	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	1.7	171.6	0	0	0	0	0	113.4	I545 G583 L584 R585 L589	I545-A587 HydrophobicContact CG2-CB 3.5Å; I545-A587 VanDerWaalsContact CG2-CB 3.5Å; G583-A587 PolarHBondContact O-N 3.1Å; L584-A587 WeakPolarHBondContact O-CB 3.18Å; L584-A587 PolarHBondContact O-N 3.32Å; R585-A587 VanDerWaalsContact C-N 3.27Å; R585-A587 PolarHBondContact O-N 2.76Å; A587-L589 VanDerWaalsContact C-N 3.27Å; A587-L589 HydrophobicContact CB-CD1 4.29Å; A587-L589 HydrophobicContact CB-CG 4.31Å; A587-L589 PolarHBondContact O-N 3.28Å
588	G	63.5	Low	75.8	Confident	60 Å²	60	26.4 Å²	26.4	62%	0.619	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	8.3	-177.9	0	0	0	0	0	114	L584 R585 L586	L584-G588 PolarHBondContact O-N 3.5Å; R585-G588 WeakPolarHBondContact O-CA 3.27Å; R585-G588 PolarHBondContact O-N 3.07Å; L586-G588 PolarHBondContact O-N 2.93Å
589	L	67.7	Low	76.2	Confident	13 Å²	13	30.9 Å²	30.9	7%	0.068	17%	0.174	C	C	.	.			trans	-79	150.6	175.7	-57.1	168.4	0	0	0	109.9	Y440 I442 I545 W559 L562 L584 A587 P591	Y440-L589 HydrophobicContact CD2-CD2 3.95Å; Y440-L589 HydrophobicContact CG-CD2 4.31Å; I442-L589 HydrophobicContact CD1-CB 4.27Å; I442-L589 HydrophobicContact CD1-CD1 3.83Å; I442-L589 HydrophobicContact CD1-CD2 4.48Å; I442-L589 HydrophobicContact CD1-CG 4.42Å; I545-L589 HydrophobicContact CD1-CD1 4.3Å; I545-L589 HydrophobicContact CG2-CD1 3.86Å; W559-L589 HydrophobicContact CH2-CD2 4.13Å; W559-L589 HydrophobicContact CZ3-CD2 4.29Å; L562-L589 HydrophobicContact CD2-CD1 3.88Å; L562-L589 HydrophobicContact CD2-CD2 3.94Å; L584-L589 HydrophobicContact CD2-CD1 3.72Å; L584-L589 VanDerWaalsContact O-CB 3.31Å; L584-L589 WeakPolarHBondContact O-CB 3.34Å; L584-L589 PolarHBondContact O-N 2.7Å; A587-L589 VanDerWaalsContact C-N 3.27Å; A587-L589 HydrophobicContact CB-CD1 4.29Å; A587-L589 HydrophobicContact CB-CG 4.31Å; A587-L589 PolarHBondContact O-N 3.28Å; L589-P591 WeakPolarHBondContact O-CD 3.45Å
590	K	71.9	Confident	76.9	Confident	81 Å²	81	32.1 Å²	32.1	35%	0.352	18%	0.182	S	C	.	.			trans	-116	67.5	-179.2	-64.5	175.9	-177	167.7	0	110.3	T438	T438-K590 HydrophobicContact CG2-CD 4.46Å
591	P	79.7	Confident	77.3	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.032	19%	0.189	C	C	.	.			trans	-67.2	137.2	178.6	30.3	-35.2	0	0	0	109.9	I442 A444 L581 L584 L589 S593	I442-P591 HydrophobicContact CB-CB 3.96Å; I442-P591 HydrophobicContact CG2-CB 3.82Å; I442-P591 CarbonylContact O-C 3.23Å; I442-P591 VanDerWaalsContact O-CA 3.3Å; I442-P591 WeakPolarHBondContact O-CA 3.38Å; A444-P591 HydrophobicContact CB-CB 4.02Å; L581-P591 HydrophobicContact CD1-CG 3.76Å; L584-P591 HydrophobicContact CB-CG 3.98Å; L584-P591 HydrophobicContact CD1-CB 4.23Å; L584-P591 HydrophobicContact CD1-CG 4.11Å; L589-P591 WeakPolarHBondContact O-CD 3.45Å; P591-S593 PolarHBondContact O-N 2.91Å
592	R	82.4	Confident	77.9	Confident	40 Å²	40	40 Å²	40	15%	0.151	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.8	162.6	-172.7	173.4	-96.8	-80.6	-0.2	106.9	A430 I442 L443 A444 D663 Y685	A430-R592 HydrophobicContact CB-CB 4.34Å; A430-R592 HydrophobicContact CB-CG 4.34Å; A430-R592 PolarHBondContact O-NH2 3.45Å; I442-R592 PolarHBondContact O-N 3.28Å; L443-R592 CarbonylContact C-O 3.39Å; L443-R592 WeakPolarHBondContact CA-O 3.12Å; L443-R592 HydrophobicContact CD1-CB 4.29Å; L443-R592 HydrophobicContact CD1-CG 4.34Å; A444-R592 PolarHBondContact N-O 3.2Å; R592-D663 VanDerWaalsContact CA-OD2 3.26Å; R592-D663 WeakPolarHBondContact CA-OD2 3.22Å; R592-D663 HydrophobicContact CG-CB 4.05Å; R592-D663 WeakPolarHBondContact CG-OD2 3.21Å; R592-D663 IonicContact NH1-OD1 3.89Å; R592-Y685 HydrophobicContact CG-CE2 4.33Å; R592-Y685 VanDerWaalsContact NH1-CE1 3.31Å; R592-Y685 PolarHBondContact NH1-OH 2.82Å
593	S	88.8	Confident	78.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.7	-169.2	83.1	0	0	0	0	112.8	A444 P591 L661 F662 D663	A444-S593 CarbonylContact O-C 3.5Å; A444-S593 WeakPolarHBondContact O-CA 3.39Å; P591-S593 PolarHBondContact O-N 2.91Å; S593-L661 PolarHBondContact OG-O 3.47Å; S593-F662 CarbonylContact O-C 3.58Å; S593-F662 WeakPolarHBondContact O-CA 3.49Å; S593-F662 WeakPolarHBondContact OG-CA 3.31Å; S593-F662 WeakPolarHBondContact OG-CD1 3.31Å; S593-D663 PolarHBondContact N-OD2 3.23Å; S593-D663 PolarHBondContact O-N 3.26Å
594	I	90.8	Very high	79.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.6	-179	-59.7	170.3	0	0	0	107.4	L443 A444 I446 A664 L666 L678 L681 Y685	L443-I594 HydrophobicContact CD1-CD1 3.74Å; L443-I594 HydrophobicContact CD1-CG1 4.28Å; L443-I594 HydrophobicContact CG-CD1 4.49Å; A444-I594 PolarHBondContact O-N 3.38Å; I446-I594 PolarHBondContact N-O 3.21Å; I594-A664 HydrophobicContact CG2-CB 4.46Å; I594-L666 HydrophobicContact CG2-CD1 3.92Å; I594-L666 HydrophobicContact CG2-CG 4.03Å; I594-L678 HydrophobicContact CB-CD1 4.5Å; I594-L678 HydrophobicContact CD1-CD1 3.43Å; I594-L678 VanDerWaalsContact CD1-CD1 3.43Å; I594-L678 HydrophobicContact CG2-CD1 4.07Å; I594-L681 HydrophobicContact CD1-CD2 3.72Å; I594-L681 HydrophobicContact CG1-CD2 4.08Å; I594-L681 HydrophobicContact CG2-CD2 4.33Å; I594-Y685 HydrophobicContact CD1-CE2 4.3Å
595	L	92	Very high	80.1	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.4	176.7	178.1	58.4	0	0	0	109.9	I446 L597 Y651 H655 F662 A664 V665 L666	I446-L595 HydrophobicContact CG2-CD1 4.42Å; I446-L595 CarbonylContact O-C 3.29Å; I446-L595 WeakPolarHBondContact O-CA 3.38Å; L595-L597 HydrophobicContact CD1-CD2 4.05Å; L595-L597 HydrophobicContact CD1-CG 4.21Å; L595-L597 HydrophobicContact CD2-CD1 4.02Å; L595-L597 HydrophobicContact CD2-CG 4.25Å; L595-L597 HydrophobicContact CG-CD1 4.29Å; L595-L597 HydrophobicContact CG-CD2 4.36Å; L595-L597 HydrophobicContact CG-CG 3.99Å; L595-Y651 HydrophobicContact CD1-CD1 3.45Å; L595-Y651 VanDerWaalsContact CD1-CD1 3.45Å; L595-Y651 HydrophobicContact CD1-CE1 3.82Å; L595-Y651 HydrophobicContact CD1-CG 4.45Å; L595-H655 HydrophobicContact CD2-CB 4.38Å; L595-F662 HydrophobicContact CB-CB 4.22Å; L595-F662 HydrophobicContact CB-CD1 3.64Å; L595-F662 HydrophobicContact CB-CD2 4.28Å; L595-F662 HydrophobicContact CB-CE1 3.99Å; L595-F662 HydrophobicContact CB-CG 3.78Å; L595-F662 HydrophobicContact CB-CZ 4.46Å; L595-F662 HydrophobicContact CD1-CE1 4.22Å; L595-F662 HydrophobicContact CD1-CZ 4.25Å; L595-F662 HydrophobicContact CD2-CD2 3.99Å; L595-F662 HydrophobicContact CD2-CE2 3.9Å; L595-F662 HydrophobicContact CD2-CG 4.35Å; L595-F662 HydrophobicContact CD2-CZ 4.19Å; L595-F662 HydrophobicContact CG-CE1 4.48Å; L595-A664 PolarHBondContact N-O 3.18Å; L595-V665 HydrophobicContact CB-CG1 4.33Å; L595-V665 HydrophobicContact CB-CG2 4.2Å; L595-V665 HydrophobicContact CD2-CG1 4.17Å; L595-V665 HydrophobicContact CD2-CG2 4.24Å; L595-V665 HydrophobicContact CG-CG1 4.23Å; L595-V665 CarbonylContact O-C 3.35Å; L595-V665 WeakPolarHBondContact O-CA 3.34Å; L595-L666 PolarHBondContact O-N 3.06Å
596	C	91.8	Very high	80.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.6	173.3	-60.1	0	0	0	0	109.3	I446 G447 P448 I451 L666 L674	I446-C596 PolarHBondContact O-N 2.94Å; G447-C596 WeakPolarHBondContact CA-O 3.35Å; P448-C596 WeakPolarHBondContact CD-O 3.28Å; I451-C596 VanDerWaalsContact CD1-O 3.29Å; I451-C596 WeakPolarHBondContact CD1-O 3.08Å; I451-C596 HydrophobicContact CG2-CB 4.16Å; C596-L666 WeakPolarHBondContact CA-O 3.14Å; C596-L674 HydrophobicContact CB-CD1 4.38Å; C596-L674 HydrophobicContact CB-CD2 4.16Å
597	L	91	Very high	81.8	Confident	24 Å²	24	45.2 Å²	45.2	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.1	178	-66.5	176.6	0	0	0	111.1	L595 Y651 V665 L666 S667 S668	L595-L597 HydrophobicContact CD1-CD2 4.05Å; L595-L597 HydrophobicContact CD1-CG 4.21Å; L595-L597 HydrophobicContact CD2-CD1 4.02Å; L595-L597 HydrophobicContact CD2-CG 4.25Å; L595-L597 HydrophobicContact CG-CD1 4.29Å; L595-L597 HydrophobicContact CG-CD2 4.36Å; L595-L597 HydrophobicContact CG-CG 3.99Å; L597-Y651 HydrophobicContact CD2-CD1 4.23Å; L597-Y651 HydrophobicContact CD2-CD2 4.44Å; L597-Y651 HydrophobicContact CD2-CG 3.94Å; L597-V665 HydrophobicContact CD1-CG1 4.41Å; L597-L666 PolarHBondContact N-O 3.25Å; L597-S667 VanDerWaalsContact O-CA 3.26Å; L597-S667 WeakPolarHBondContact O-CA 3.1Å; L597-S668 PolarHBondContact O-N 3.13Å
598	P	87.1	Confident	82.5	Confident	20 Å²	20	43.6 Å²	43.6	13%	0.13	22%	0.222	C	C	.	.			trans	-74	147.7	170.5	32.2	-28.7	0	0	0	109.8	Y604 T647	P598-Y604 HydrophobicContact CB-CD2 3.98Å; P598-Y604 HydrophobicContact CB-CG 3.94Å; P598-Y604 HydrophobicContact CG-CD1 3.96Å; P598-Y604 HydrophobicContact CG-CD2 3.85Å; P598-Y604 HydrophobicContact CG-CE1 4.49Å; P598-Y604 HydrophobicContact CG-CE2 4.42Å; P598-Y604 HydrophobicContact CG-CG 3.62Å; P598-T647 HydrophobicContact CG-CG2 3.62Å
599	N	84.8	Confident	83.1	Confident	93 Å²	93	44.4 Å²	44.4	50%	0.497	21%	0.207	S	C	.	.	S	Bend	trans	-80.9	-38.3	174.4	-80.9	-18.6	0	0	0	111.1	S667 S668 D669	N599-S667 PolarHBondContact ND2-O 3.14Å; N599-S667 VanDerWaalsContact OD1-C 3.24Å; N599-S667 WeakPolarHBondContact OD1-CB 3.3Å; N599-S667 PolarHBondContact OD1-O 3.16Å; N599-S667 PolarHBondContact OD1-OG 2.86Å; N599-S668 WeakPolarHBondContact ND2-CA 3.3Å; N599-D669 PolarHBondContact N-OD1 2.99Å
600	N	85.2	Confident	83.3	Confident	69 Å²	69	47.7 Å²	47.7	37%	0.369	23%	0.227	S	C	.	.			trans	-113.8	107.7	-176.9	-172.4	-32.8	0	0	0	111.7	H602 H603 Y604 D669	N600-H602 VanDerWaalsContact C-N 3.28Å; N600-H602 PolarHBondContact O-N 3.18Å; N600-H602 WeakPolarHBondContact OD1-CB 3.18Å; N600-H602 PolarHBondContact OD1-N 3.32Å; N600-H603 HydrophobicContact CB-CB 3.95Å; N600-H603 PolarHBondContact O-N 3.16Å; N600-H603 VanDerWaalsContact O-N 3.15Å; N600-H603 PolarHBondContact OD1-N 3.21Å; N600-H603 VanDerWaalsContact OD1-N 3.12Å; N600-Y604 WeakPolarHBondContact O-CB 3.25Å; N600-Y604 PolarHBondContact O-N 3.45Å; N600-D669 WeakPolarHBondContact CB-OD2 3.27Å; N600-D669 PolarHBondContact N-OD1 2.83Å; N600-D669 PolarHBondContact N-OD2 3.4Å
601	L	85.5	Confident	83	Confident	52 Å²	52	45.5 Å²	45.5	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-33.5	-179.7	-164.4	68.4	0	0	0	113.2	Y604 E605 I644 T647 D648	L601-Y604 HydrophobicContact CD1-CD1 4.16Å; L601-Y604 WeakPolarHBondContact O-CB 3.08Å; L601-Y604 PolarHBondContact O-N 2.95Å; L601-E605 WeakPolarHBondContact O-CB 3.39Å; L601-E605 PolarHBondContact O-N 3.05Å; L601-I644 HydrophobicContact CD1-CG2 3.98Å; L601-I644 HydrophobicContact CD2-CG2 3.74Å; L601-I644 HydrophobicContact CG-CG2 3.9Å; L601-T647 HydrophobicContact CD1-CG2 4.38Å; L601-D648 HydrophobicContact CD1-CB 4.34Å; L601-D648 HydrophobicContact CD2-CB 4.02Å
602	H	84.4	Confident	82.3	Confident	136 Å²	136	45.8 Å²	45.8	63%	0.63	22%	0.223	S	C	*	.	H	α-helix	trans	-73.9	-34.2	176.9	-70.1	-54.9	0	0	0	113.1	N600 R606	N600-H602 VanDerWaalsContact C-N 3.28Å; N600-H602 PolarHBondContact O-N 3.18Å; N600-H602 WeakPolarHBondContact OD1-CB 3.18Å; N600-H602 PolarHBondContact OD1-N 3.32Å; H602-R606 PolarHBondContact O-N 2.94Å; H602-R606 PolarHBondContact O-NE 3.41Å
603	H	82.1	Confident	81.1	Confident	67 Å²	67	47 Å²	47	31%	0.31	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-45.8	170.8	-179.5	76.8	0	0	0	110.1	N600 E605 R606 V607	N600-H603 HydrophobicContact CB-CB 3.95Å; N600-H603 PolarHBondContact O-N 3.16Å; N600-H603 VanDerWaalsContact O-N 3.15Å; N600-H603 PolarHBondContact OD1-N 3.21Å; N600-H603 VanDerWaalsContact OD1-N 3.12Å; H603-E605 PolarHBondContact O-N 3.08Å; H603-R606 WeakPolarHBondContact O-CB 3.34Å; H603-R606 PolarHBondContact O-N 2.99Å; H603-R606 VanDerWaalsContact O-N 3.13Å; H603-V607 WeakPolarHBondContact O-CG2 3.47Å; H603-V607 PolarHBondContact O-N 3.39Å
604	Y	85	Confident	79.3	Confident	5 Å²	5	51.8 Å²	51.8	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-45.3	177.2	179.7	-117.5	0	0	0	113	P448 V449 I451 P598 N600 L601 R606 V607 I608 T647	P448-Y604 VanDerWaalsContact CB-OH 3.27Å; P448-Y604 WeakPolarHBondContact CB-OH 3.12Å; P448-Y604 HydrophobicContact CG-CE1 4.49Å; P448-Y604 HydrophobicContact CG-CE2 4.26Å; V449-Y604 WeakPolarHBondContact O-CE2 3.44Å; V449-Y604 VanDerWaalsContact O-CZ 3.25Å; V449-Y604 PolarHBondContact O-OH 3.25Å; I451-Y604 HydrophobicContact CG1-CE2 4.34Å; P598-Y604 HydrophobicContact CB-CD2 3.98Å; P598-Y604 HydrophobicContact CB-CG 3.94Å; P598-Y604 HydrophobicContact CG-CD1 3.96Å; P598-Y604 HydrophobicContact CG-CD2 3.85Å; P598-Y604 HydrophobicContact CG-CE1 4.49Å; P598-Y604 HydrophobicContact CG-CE2 4.42Å; P598-Y604 HydrophobicContact CG-CG 3.62Å; N600-Y604 WeakPolarHBondContact O-CB 3.25Å; N600-Y604 PolarHBondContact O-N 3.45Å; L601-Y604 HydrophobicContact CD1-CD1 4.16Å; L601-Y604 WeakPolarHBondContact O-CB 3.08Å; L601-Y604 PolarHBondContact O-N 2.95Å; Y604-R606 VanDerWaalsContact C-N 3.32Å; Y604-R606 PolarHBondContact O-N 3.07Å; Y604-V607 PolarHBondContact O-N 3.32Å; Y604-V607 VanDerWaalsContact O-N 3.12Å; Y604-I608 HydrophobicContact CD1-CD1 3.62Å; Y604-I608 HydrophobicContact CD1-CG1 4.46Å; Y604-I608 HydrophobicContact CD2-CD1 4.33Å; Y604-I608 HydrophobicContact CD2-CG1 4.33Å; Y604-I608 HydrophobicContact CE1-CD1 3.11Å; Y604-I608 HydrophobicContact CE1-CG1 4.03Å; Y604-I608 HydrophobicContact CE2-CD1 3.88Å; Y604-I608 HydrophobicContact CE2-CG1 3.85Å; Y604-I608 HydrophobicContact CG-CD1 4.19Å; Y604-I608 WeakPolarHBondContact O-CG1 3.37Å; Y604-I608 PolarHBondContact O-N 3.02Å; Y604-I608 WeakPolarHBondContact OH-CD1 3.03Å; Y604-T647 HydrophobicContact CD1-CG2 4.29Å; Y604-T647 HydrophobicContact CE1-CG2 4.01Å; Y604-T647 WeakPolarHBondContact CE1-OG1 3.23Å
605	E	83.9	Confident	77.5	Confident	46 Å²	46	53.6 Å²	53.6	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-54.6	-46.5	173.8	172.2	174.1	-172.2	0	0	111.8	L601 H603 V607 I608 R609 I640 I644	L601-E605 WeakPolarHBondContact O-CB 3.39Å; L601-E605 PolarHBondContact O-N 3.05Å; H603-E605 PolarHBondContact O-N 3.08Å; E605-V607 VanDerWaalsContact C-N 3.34Å; E605-V607 PolarHBondContact O-N 3.12Å; E605-I608 PolarHBondContact O-N 3.43Å; E605-R609 HydrophobicContact CG-CG 4.42Å; E605-R609 WeakPolarHBondContact O-CB 3.12Å; E605-R609 VanDerWaalsContact O-CG 3.28Å; E605-R609 WeakPolarHBondContact O-CG 3.36Å; E605-R609 PolarHBondContact O-N 2.73Å; E605-R609 IonicContact OE1-CZ 3.7Å; E605-R609 VanDerWaalsContact OE1-CZ 3.26Å; E605-R609 IonicContact OE1-NE 3.75Å; E605-R609 PolarHBondContact OE1-NE 3.32Å; E605-R609 IonicContact OE1-NH2 3.65Å; E605-R609 PolarHBondContact OE1-NH2 3.02Å; E605-I640 HydrophobicContact CG-CG2 4.41Å; E605-I644 HydrophobicContact CB-CD1 3.76Å; E605-I644 HydrophobicContact CB-CG1 4.38Å; E605-I644 HydrophobicContact CG-CD1 3.66Å
606	R	78.9	Confident	75.3	Confident	158 Å²	158	56.4 Å²	56.4	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-60.8	-42.2	177.1	-72.5	-177	-74.1	156.5	-5.4	111.9	H602 H603 Y604 R609 V610	H602-R606 PolarHBondContact O-N 2.94Å; H602-R606 PolarHBondContact O-NE 3.41Å; H603-R606 WeakPolarHBondContact O-CB 3.34Å; H603-R606 PolarHBondContact O-N 2.99Å; H603-R606 VanDerWaalsContact O-N 3.13Å; Y604-R606 VanDerWaalsContact C-N 3.32Å; Y604-R606 PolarHBondContact O-N 3.07Å; R606-R609 PolarHBondContact O-N 3.25Å; R606-V610 WeakPolarHBondContact O-CG2 3.46Å; R606-V610 PolarHBondContact O-N 2.7Å; R606-V610 VanDerWaalsContact O-N 3.14Å
607	V	78.7	Confident	73	Confident	44 Å²	44	60 Å²	60	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-43	178.1	174.1	0	0	0	0	111.6	H603 Y604 E605 V610 S611	H603-V607 WeakPolarHBondContact O-CG2 3.47Å; H603-V607 PolarHBondContact O-N 3.39Å; Y604-V607 PolarHBondContact O-N 3.32Å; Y604-V607 VanDerWaalsContact O-N 3.12Å; E605-V607 VanDerWaalsContact C-N 3.34Å; E605-V607 PolarHBondContact O-N 3.12Å; V607-V610 PolarHBondContact O-N 2.68Å; V607-S611 WeakPolarHBondContact O-CB 3.14Å; V607-S611 PolarHBondContact O-N 3.31Å; V607-S611 PolarHBondContact O-OG 3.43Å
608	I	77.2	Confident	70.6	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-46	176.4	-63.7	163	0	0	0	110.8	Y604 E605 V610 S611 I612 I640 I644	Y604-I608 HydrophobicContact CD1-CD1 3.62Å; Y604-I608 HydrophobicContact CD1-CG1 4.46Å; Y604-I608 HydrophobicContact CD2-CD1 4.33Å; Y604-I608 HydrophobicContact CD2-CG1 4.33Å; Y604-I608 HydrophobicContact CE1-CD1 3.11Å; Y604-I608 HydrophobicContact CE1-CG1 4.03Å; Y604-I608 HydrophobicContact CE2-CD1 3.88Å; Y604-I608 HydrophobicContact CE2-CG1 3.85Å; Y604-I608 HydrophobicContact CG-CD1 4.19Å; Y604-I608 WeakPolarHBondContact O-CG1 3.37Å; Y604-I608 PolarHBondContact O-N 3.02Å; Y604-I608 WeakPolarHBondContact OH-CD1 3.03Å; E605-I608 PolarHBondContact O-N 3.43Å; I608-V610 VanDerWaalsContact C-N 3.28Å; I608-V610 PolarHBondContact O-N 3.25Å; I608-S611 WeakPolarHBondContact O-CA 3.49Å; I608-S611 WeakPolarHBondContact O-CB 3.1Å; I608-S611 PolarHBondContact O-N 3.42Å; I608-I612 HydrophobicContact CG2-CD1 3.47Å; I608-I612 VanDerWaalsContact CG2-CD1 3.47Å; I608-I612 HydrophobicContact CG2-CG1 3.99Å; I608-I612 PolarHBondContact O-N 3.1Å; I608-I640 HydrophobicContact CG2-CG1 4.19Å; I608-I644 HydrophobicContact CD1-CG1 4.48Å
609	R	76.6	Confident	68.3	Low	78 Å²	78	66.1 Å²	66.1	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-54.3	-46.1	179.3	-77.5	175.7	179.2	-67.5	-5.8	111.2	E605 R606 S613 E637 I640	E605-R609 HydrophobicContact CG-CG 4.42Å; E605-R609 WeakPolarHBondContact O-CB 3.12Å; E605-R609 VanDerWaalsContact O-CG 3.28Å; E605-R609 WeakPolarHBondContact O-CG 3.36Å; E605-R609 PolarHBondContact O-N 2.73Å; E605-R609 IonicContact OE1-CZ 3.7Å; E605-R609 VanDerWaalsContact OE1-CZ 3.26Å; E605-R609 IonicContact OE1-NE 3.75Å; E605-R609 PolarHBondContact OE1-NE 3.32Å; E605-R609 IonicContact OE1-NH2 3.65Å; E605-R609 PolarHBondContact OE1-NH2 3.02Å; R606-R609 PolarHBondContact O-N 3.25Å; R609-S613 WeakPolarHBondContact O-CB 3.22Å; R609-S613 PolarHBondContact O-N 3.46Å; R609-S613 PolarHBondContact O-OG 3.12Å; R609-E637 IonicContact CZ-OE1 3.18Å; R609-E637 IonicContact CZ-OE2 3.68Å; R609-E637 VanDerWaalsContact NH1-CD 3.32Å; R609-E637 IonicContact NH1-OE1 2.66Å; R609-E637 PolarHBondContact NH1-OE1 3.07Å; R609-E637 IonicContact NH1-OE2 3.14Å; R609-E637 PolarHBondContact NH1-OE2 2.87Å; R609-E637 IonicContact NH2-OE1 3.81Å; R609-E637 IonicContact NH2-OE2 3.96Å; R609-E637 PolarHBondContact NH2-OE2 3.14Å; R609-I640 HydrophobicContact CG-CD1 3.79Å; R609-I640 HydrophobicContact CG-CG1 4.45Å; R609-I640 HydrophobicContact CG-CG2 4.33Å
610	V	71.1	Confident	66.1	Low	82 Å²	82	65.2 Å²	65.2	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-39.4	174.9	174.5	0	0	0	0	112.1	R606 V607 I608 S613 Q614	R606-V610 WeakPolarHBondContact O-CG2 3.46Å; R606-V610 PolarHBondContact O-N 2.7Å; R606-V610 VanDerWaalsContact O-N 3.14Å; V607-V610 PolarHBondContact O-N 2.68Å; I608-V610 VanDerWaalsContact C-N 3.28Å; I608-V610 PolarHBondContact O-N 3.25Å; V610-S613 PolarHBondContact O-OG 2.96Å; V610-Q614 VanDerWaalsContact O-CG 3.27Å; V610-Q614 WeakPolarHBondContact O-CG 3.37Å; V610-Q614 PolarHBondContact O-N 3.33Å
611	S	65.6	Low	63.8	Low	35 Å²	35	65.7 Å²	65.7	25%	0.245	36%	0.36	C	S	.	.	H	α-helix	trans	-68.4	-38.2	-179.5	-60.6	0	0	0	0	112.9	V607 I608	V607-S611 WeakPolarHBondContact O-CB 3.14Å; V607-S611 PolarHBondContact O-N 3.31Å; V607-S611 PolarHBondContact O-OG 3.43Å; I608-S611 WeakPolarHBondContact O-CA 3.49Å; I608-S611 WeakPolarHBondContact O-CB 3.1Å; I608-S611 PolarHBondContact O-N 3.42Å
612	I	65.4	Low	61.4	Low	11 Å²	11	70.4 Å²	70.4	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-76.2	-40.5	179.4	-69.4	177.4	0	0	0	110.7	I608 Q614 I615 H616 T636 I640	I608-I612 HydrophobicContact CG2-CD1 3.47Å; I608-I612 VanDerWaalsContact CG2-CD1 3.47Å; I608-I612 HydrophobicContact CG2-CG1 3.99Å; I608-I612 PolarHBondContact O-N 3.1Å; I612-Q614 PolarHBondContact O-N 3.07Å; I612-I615 WeakPolarHBondContact O-CB 3.45Å; I612-I615 PolarHBondContact O-N 2.89Å; I612-H616 PolarHBondContact O-CD2 2.74Å; I612-H616 PolarHBondContact O-N 3.49Å; I612-T636 HydrophobicContact CG2-CG2 3.94Å; I612-I640 HydrophobicContact CD1-CG1 3.75Å
613	S	57.6	Low	58.8	Low	65 Å²	65	68.8 Å²	68.8	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-34.5	176.7	71	0	0	0	0	112	R609 V610 I615 C617	R609-S613 WeakPolarHBondContact O-CB 3.22Å; R609-S613 PolarHBondContact O-N 3.46Å; R609-S613 PolarHBondContact O-OG 3.12Å; V610-S613 PolarHBondContact O-OG 2.96Å; S613-I615 VanDerWaalsContact C-N 3.34Å; S613-I615 PolarHBondContact O-N 2.96Å; S613-C617 PolarHBondContact O-N 2.92Å; S613-C617 PolarHBondContact O-SG 3.34Å
614	Q	51.6	Low	56.6	Low	100 Å²	100	70.7 Å²	70.7	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-64	-33.7	173.3	-72.9	172.7	5.3	0	0	113.3	V610 I612 T618	V610-Q614 VanDerWaalsContact O-CG 3.27Å; V610-Q614 WeakPolarHBondContact O-CG 3.37Å; V610-Q614 PolarHBondContact O-N 3.33Å; I612-Q614 PolarHBondContact O-N 3.07Å; Q614-T618 PolarHBondContact O-N 3.34Å
615	I	51.4	Low	54.3	Low	38 Å²	38	75.3 Å²	75.3	20%	0.195	43%	0.433	C	S	.	.	H	α-helix	trans	-71.4	-45.3	-179.7	-64.7	169	0	0	0	110.3	M551 I612 S613 C617 T618 Q619	M551-I615 HydrophobicContact SD-CD1 4.2Å; I612-I615 WeakPolarHBondContact O-CB 3.45Å; I612-I615 PolarHBondContact O-N 2.89Å; S613-I615 VanDerWaalsContact C-N 3.34Å; S613-I615 PolarHBondContact O-N 2.96Å; I615-C617 VanDerWaalsContact C-N 3.3Å; I615-C617 PolarHBondContact O-N 3.36Å; I615-T618 PolarHBondContact O-N 3.34Å; I615-T618 VanDerWaalsContact O-N 3.07Å; I615-T618 PolarHBondContact O-OG1 2.77Å; I615-Q619 PolarHBondContact O-N 3.24Å
616	H	47.2	Very low	52.3	Low	60 Å²	60	79.3 Å²	79.3	28%	0.278	46%	0.456	S	S	.	.	H	α-helix	trans	-59.4	-41.5	178.6	-76.6	-74.6	0	0	0	112	I612 T618 Q619 S620 T636	I612-H616 PolarHBondContact O-CD2 2.74Å; I612-H616 PolarHBondContact O-N 3.49Å; H616-T618 PolarHBondContact O-N 3.48Å; H616-Q619 PolarHBondContact O-N 2.9Å; H616-Q619 VanDerWaalsContact O-N 3.09Å; H616-S620 WeakPolarHBondContact O-CB 3.45Å; H616-S620 PolarHBondContact O-N 2.66Å; H616-S620 PolarHBondContact O-OG 2.89Å; H616-T636 VanDerWaalsContact CD2-CG2 3.49Å; H616-T636 WeakPolarHBondContact CD2-CG2 3.47Å; H616-T636 WeakPolarHBondContact NE2-CG2 3.24Å
617	C	43.7	Very low	50.7	Low	76 Å²	76	78 Å²	78	51%	0.514	46%	0.461	S	S	.	.	H	α-helix	trans	-62.4	-28.4	177.2	-62.8	0	0	0	0	113.6	S613 I615	S613-C617 PolarHBondContact O-N 2.92Å; S613-C617 PolarHBondContact O-SG 3.34Å; I615-C617 VanDerWaalsContact C-N 3.3Å; I615-C617 PolarHBondContact O-N 3.36Å
618	T	38.8	Very low	49.1	Very low	73 Å²	73	81.1 Å²	81.1	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-81.6	-24.2	176.1	59.1	0	0	0	0	113.6	Q614 I615 H616	Q614-T618 PolarHBondContact O-N 3.34Å; I615-T618 PolarHBondContact O-N 3.34Å; I615-T618 VanDerWaalsContact O-N 3.07Å; I615-T618 PolarHBondContact O-OG1 2.77Å; H616-T618 PolarHBondContact O-N 3.48Å
619	Q	40.3	Very low	47.6	Very low	99 Å²	99	84.6 Å²	84.6	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-88.5	-31.2	178.9	-71	-179.2	-20.6	0	0	112	I615 H616 G621	I615-Q619 PolarHBondContact O-N 3.24Å; H616-Q619 PolarHBondContact O-N 2.9Å; H616-Q619 VanDerWaalsContact O-N 3.09Å; Q619-G621 PolarHBondContact O-N 2.88Å
620	S	38.1	Very low	46.3	Very low	74 Å²	74	86.8 Å²	86.8	52%	0.517	51%	0.507	S	S	.	.			trans	-88.5	76.1	-178.2	64.3	0	0	0	0	112.1	H616 L622	H616-S620 WeakPolarHBondContact O-CB 3.45Å; H616-S620 PolarHBondContact O-N 2.66Å; H616-S620 PolarHBondContact O-OG 2.89Å; S620-L622 PolarHBondContact O-N 3.41Å
621	G	37.7	Very low	45.4	Very low	79 Å²	79	86.5 Å²	86.5	81%	0.814	51%	0.506	S	S	*	.			trans	-81.8	14.9	159.3	0	0	0	0	0	113.2	Q619	Q619-G621 PolarHBondContact O-N 2.88Å
622	L	33.4	Very low	44.9	Very low	151 Å²	151	86.5 Å²	86.5	79%	0.791	51%	0.506	S	S	*	.	S	Bend	trans	-129.8	140.4	-163.5	-76.7	154.1	0	0	0	111.1	S620	S620-L622 PolarHBondContact O-N 3.41Å
623	S	31.7	Very low	44.5	Very low	102 Å²	102	90.8 Å²	90.8	71%	0.713	53%	0.528	S	S	*	.			trans	-46	138.1	-174.3	53	0	0	0	0	114.3	D625	S623-D625 PolarHBondContact O-N 3.02Å; S623-D625 VanDerWaalsContact O-N 3.13Å
624	C	35.5	Very low	44.7	Very low	107 Å²	107	92.6 Å²	92.6	72%	0.723	53%	0.529	S	S	*	.			trans	-65.4	101	178	-50.6	0	0	0	0	111.3	L629	C624-L629 HydrophobicContact CB-CD1 4.16Å
625	D	36	Very low	45.3	Very low	102 Å²	102	90 Å²	90	55%	0.545	52%	0.519	S	S	.	.			trans	-99.2	123.2	156.5	-82.4	-25	0	0	0	108.4	S623 N627 I628 L629	S623-D625 PolarHBondContact O-N 3.02Å; S623-D625 VanDerWaalsContact O-N 3.13Å; D625-N627 VanDerWaalsContact C-N 3.27Å; D625-N627 PolarHBondContact O-N 3.43Å; D625-I628 HydrophobicContact CB-CD1 4.1Å; D625-I628 HydrophobicContact CB-CG1 4.27Å; D625-I628 PolarHBondContact O-N 2.85Å; D625-I628 VanDerWaalsContact O-N 3.08Å; D625-L629 PolarHBondContact O-N 2.62Å
626	D	41.9	Very low	46	Very low	130 Å²	130	88.9 Å²	88.9	70%	0.695	51%	0.514	S	S	*	.	H	α-helix	trans	-57.7	-34.5	-171.1	-69.5	-30.5	0	0	0	113.6	I628 L629 E630	D626-I628 PolarHBondContact O-N 2.85Å; D626-L629 WeakPolarHBondContact O-CB 3.06Å; D626-L629 PolarHBondContact O-N 3.38Å; D626-E630 PolarHBondContact O-N 3.39Å
627	N	44.4	Very low	47.3	Very low	130 Å²	130	89.7 Å²	89.7	70%	0.695	52%	0.517	S	S	*	.	H	α-helix	trans	-70.7	-29.9	180	-68.3	-17.8	0	0	0	113.2	D625 T631	D625-N627 VanDerWaalsContact C-N 3.27Å; D625-N627 PolarHBondContact O-N 3.43Å; N627-T631 PolarHBondContact O-N 2.93Å; N627-T631 PolarHBondContact O-OG1 3.17Å
628	I	45.8	Very low	48.8	Very low	111 Å²	111	91.4 Å²	91.4	57%	0.569	52%	0.516	S	S	*	.	H	α-helix	trans	-77.2	-33.8	176.3	-58.5	177.2	0	0	0	109.3	D625 D626 T631 S632	D625-I628 HydrophobicContact CB-CD1 4.1Å; D625-I628 HydrophobicContact CB-CG1 4.27Å; D625-I628 PolarHBondContact O-N 2.85Å; D625-I628 VanDerWaalsContact O-N 3.08Å; D626-I628 PolarHBondContact O-N 2.85Å; I628-T631 PolarHBondContact O-OG1 2.92Å; I628-T631 VanDerWaalsContact O-OG1 3.06Å; I628-S632 VanDerWaalsContact O-CB 3.23Å; I628-S632 WeakPolarHBondContact O-CB 2.83Å; I628-S632 PolarHBondContact O-N 3.09Å; I628-S632 PolarHBondContact O-OG 2.88Å
629	L	46	Very low	50.3	Low	73 Å²	73	91.9 Å²	91.9	38%	0.382	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-50.1	175.5	-106.3	150.7	0	0	0	111.7	C624 D625 D626 T631 S632 L633	C624-L629 HydrophobicContact CB-CD1 4.16Å; D625-L629 PolarHBondContact O-N 2.62Å; D626-L629 WeakPolarHBondContact O-CB 3.06Å; D626-L629 PolarHBondContact O-N 3.38Å; L629-T631 PolarHBondContact O-N 3.2Å; L629-S632 WeakPolarHBondContact CA-OG 3.2Å; L629-S632 PolarHBondContact O-N 3.43Å; L629-S632 VanDerWaalsContact O-N 3.15Å; L629-S632 PolarHBondContact O-OG 2.77Å; L629-L633 HydrophobicContact CD2-CD1 4.43Å; L629-L633 WeakPolarHBondContact O-CB 3.5Å; L629-L633 VanDerWaalsContact O-CG 3.3Å; L629-L633 WeakPolarHBondContact O-CG 3.49Å; L629-L633 PolarHBondContact O-N 2.94Å
630	E	48.9	Very low	52.1	Low	125 Å²	125	87.5 Å²	87.5	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-61.3	-45.2	-178.7	-164	169.9	-153.4	0	0	112	D626 S632 L633 E634	D626-E630 PolarHBondContact O-N 3.39Å; E630-S632 PolarHBondContact O-N 3.1Å; E630-L633 PolarHBondContact O-N 3.19Å; E630-E634 PolarHBondContact O-N 2.79Å
631	T	52.8	Low	54	Low	76 Å²	76	88 Å²	88	47%	0.466	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-36.3	174.7	51.5	0	0	0	0	112.8	N627 I628 L629 N635	N627-T631 PolarHBondContact O-N 2.93Å; N627-T631 PolarHBondContact O-OG1 3.17Å; I628-T631 PolarHBondContact O-OG1 2.92Å; I628-T631 VanDerWaalsContact O-OG1 3.06Å; L629-T631 PolarHBondContact O-N 3.2Å; T631-N635 WeakPolarHBondContact O-CB 3.36Å; T631-N635 PolarHBondContact O-N 3.42Å; T631-N635 VanDerWaalsContact O-N 3.12Å; T631-N635 PolarHBondContact O-ND2 3.26Å
632	S	54.1	Low	55.9	Low	35 Å²	35	87.2 Å²	87.2	25%	0.245	46%	0.459	C	S	.	.	H	α-helix	trans	-66.1	-41.5	174.2	77.3	0	0	0	0	112	I628 L629 E630 N635 T636	I628-S632 VanDerWaalsContact O-CB 3.23Å; I628-S632 WeakPolarHBondContact O-CB 2.83Å; I628-S632 PolarHBondContact O-N 3.09Å; I628-S632 PolarHBondContact O-OG 2.88Å; L629-S632 WeakPolarHBondContact CA-OG 3.2Å; L629-S632 PolarHBondContact O-N 3.43Å; L629-S632 VanDerWaalsContact O-N 3.15Å; L629-S632 PolarHBondContact O-OG 2.77Å; E630-S632 PolarHBondContact O-N 3.1Å; S632-N635 PolarHBondContact O-N 3.19Å; S632-T636 WeakPolarHBondContact O-CG2 3.47Å; S632-T636 PolarHBondContact O-N 2.85Å
633	L	57.7	Low	58.2	Low	100 Å²	100	80.9 Å²	80.9	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-65.9	-46.7	178.6	-73.1	169.2	0	0	0	111.2	L629 E630 N635 T636 E637	L629-L633 HydrophobicContact CD2-CD1 4.43Å; L629-L633 WeakPolarHBondContact O-CB 3.5Å; L629-L633 VanDerWaalsContact O-CG 3.3Å; L629-L633 WeakPolarHBondContact O-CG 3.49Å; L629-L633 PolarHBondContact O-N 2.94Å; E630-L633 PolarHBondContact O-N 3.19Å; L633-N635 VanDerWaalsContact C-N 3.25Å; L633-N635 PolarHBondContact O-N 3.49Å; L633-T636 WeakPolarHBondContact CA-OG1 3.5Å; L633-T636 PolarHBondContact O-N 2.71Å; L633-T636 VanDerWaalsContact O-N 3.1Å; L633-T636 PolarHBondContact O-OG1 2.94Å; L633-E637 PolarHBondContact O-N 2.92Å
634	E	61.4	Low	60.6	Low	103 Å²	103	77.1 Å²	77.1	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-57.3	-40.6	174	-76.6	-169	179	0	0	112.3	E630 E637 K638	E630-E634 PolarHBondContact O-N 2.79Å; E634-E637 PolarHBondContact O-N 3.11Å; E634-K638 VanDerWaalsContact O-CG 3.3Å; E634-K638 WeakPolarHBondContact O-CG 3.44Å; E634-K638 PolarHBondContact O-N 3.22Å; E634-K638 VanDerWaalsContact O-N 3.07Å; E634-K638 IonicContact OE2-NZ 2.8Å
635	N	65.3	Low	62.8	Low	46 Å²	46	77.3 Å²	77.3	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-37	177.4	-72.2	-26.3	0	0	0	111.9	L404 T631 S632 L633 K638 W639	L404-N635 WeakPolarHBondContact CD1-OD1 3.2Å; L404-N635 WeakPolarHBondContact CD2-OD1 3.08Å; T631-N635 WeakPolarHBondContact O-CB 3.36Å; T631-N635 PolarHBondContact O-N 3.42Å; T631-N635 VanDerWaalsContact O-N 3.12Å; T631-N635 PolarHBondContact O-ND2 3.26Å; S632-N635 PolarHBondContact O-N 3.19Å; L633-N635 VanDerWaalsContact C-N 3.25Å; L633-N635 PolarHBondContact O-N 3.49Å; N635-K638 PolarHBondContact O-N 2.88Å; N635-W639 VanDerWaalsContact O-CD1 3.29Å; N635-W639 PolarHBondContact O-N 3.32Å; N635-W639 VanDerWaalsContact O-N 3.08Å
636	T	65.8	Low	64.9	Low	15 Å²	15	72.9 Å²	72.9	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-64	-44.8	174.2	55.6	0	0	0	0	112.9	I612 H616 S632 L633 K638 W639 I640	I612-T636 HydrophobicContact CG2-CG2 3.94Å; H616-T636 VanDerWaalsContact CD2-CG2 3.49Å; H616-T636 WeakPolarHBondContact CD2-CG2 3.47Å; H616-T636 WeakPolarHBondContact NE2-CG2 3.24Å; S632-T636 WeakPolarHBondContact O-CG2 3.47Å; S632-T636 PolarHBondContact O-N 2.85Å; L633-T636 WeakPolarHBondContact CA-OG1 3.5Å; L633-T636 PolarHBondContact O-N 2.71Å; L633-T636 VanDerWaalsContact O-N 3.1Å; L633-T636 PolarHBondContact O-OG1 2.94Å; T636-K638 VanDerWaalsContact C-N 3.34Å; T636-K638 PolarHBondContact O-N 2.76Å; T636-W639 PolarHBondContact O-N 3.22Å; T636-W639 VanDerWaalsContact O-N 3.16Å; T636-I640 WeakPolarHBondContact O-CD1 3.26Å; T636-I640 WeakPolarHBondContact O-CG1 3.13Å; T636-I640 PolarHBondContact O-N 3.16Å
637	E	74.4	Confident	66.9	Low	76 Å²	76	67.1 Å²	67.1	36%	0.355	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-41.2	177.3	-73.6	-61	152.8	0	0	111.5	R609 L633 E634 W639 I640 N641	R609-E637 IonicContact CZ-OE1 3.18Å; R609-E637 IonicContact CZ-OE2 3.68Å; R609-E637 VanDerWaalsContact NH1-CD 3.32Å; R609-E637 IonicContact NH1-OE1 2.66Å; R609-E637 PolarHBondContact NH1-OE1 3.07Å; R609-E637 IonicContact NH1-OE2 3.14Å; R609-E637 PolarHBondContact NH1-OE2 2.87Å; R609-E637 IonicContact NH2-OE1 3.81Å; R609-E637 IonicContact NH2-OE2 3.96Å; R609-E637 PolarHBondContact NH2-OE2 3.14Å; L633-E637 PolarHBondContact O-N 2.92Å; E634-E637 PolarHBondContact O-N 3.11Å; E637-W639 VanDerWaalsContact C-N 3.28Å; E637-W639 PolarHBondContact O-N 3.09Å; E637-I640 PolarHBondContact O-N 3.5Å; E637-N641 WeakPolarHBondContact O-CB 3.32Å; E637-N641 PolarHBondContact O-N 2.86Å; E637-N641 PolarHBondContact O-ND2 2.72Å; E637-N641 VanDerWaalsContact O-ND2 3.12Å
638	K	75.2	Confident	68.8	Low	112 Å²	112	65.3 Å²	65.3	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-58	-41.7	174	-74.5	168.4	-172	157.8	0	111.5	E634 N635 T636 W642	E634-K638 VanDerWaalsContact O-CG 3.3Å; E634-K638 WeakPolarHBondContact O-CG 3.44Å; E634-K638 PolarHBondContact O-N 3.22Å; E634-K638 VanDerWaalsContact O-N 3.07Å; E634-K638 IonicContact OE2-NZ 2.8Å; N635-K638 PolarHBondContact O-N 2.88Å; T636-K638 VanDerWaalsContact C-N 3.34Å; T636-K638 PolarHBondContact O-N 2.76Å; K638-W642 VanDerWaalsContact O-CB 3.31Å; K638-W642 WeakPolarHBondContact O-CB 3.37Å; K638-W642 PolarHBondContact O-N 3.17Å
639	W	71	Confident	70.5	Confident	84 Å²	84	64.7 Å²	64.7	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-69.2	-44.1	177.9	-75.5	18.9	0	0	0	112.6	M551 N635 T636 E637 W642 Y643	M551-W639 HydrophobicContact CB-CH2 4.28Å; M551-W639 HydrophobicContact CB-CZ3 4.48Å; M551-W639 HydrophobicContact CE-CE3 3.94Å; M551-W639 HydrophobicContact CE-CZ3 3.64Å; M551-W639 HydrophobicContact CG-CH2 3.82Å; M551-W639 HydrophobicContact CG-CZ3 3.65Å; M551-W639 HydrophobicContact SD-CZ3 3.86Å; N635-W639 VanDerWaalsContact O-CD1 3.29Å; N635-W639 PolarHBondContact O-N 3.32Å; N635-W639 VanDerWaalsContact O-N 3.08Å; T636-W639 PolarHBondContact O-N 3.22Å; T636-W639 VanDerWaalsContact O-N 3.16Å; E637-W639 VanDerWaalsContact C-N 3.28Å; E637-W639 PolarHBondContact O-N 3.09Å; W639-W642 WeakPolarHBondContact O-CB 3.3Å; W639-W642 PolarHBondContact O-N 3.27Å; W639-Y643 VanDerWaalsContact O-CD2 3.22Å; W639-Y643 WeakPolarHBondContact O-CD2 3.43Å; W639-Y643 PolarHBondContact O-N 3.13Å
640	I	77.4	Confident	72.1	Confident	6 Å²	6	63 Å²	63	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-50.3	177.4	-68.6	158.2	0	0	0	109.8	E605 I608 R609 I612 T636 E637 W642 Y643 I644	E605-I640 HydrophobicContact CG-CG2 4.41Å; I608-I640 HydrophobicContact CG2-CG1 4.19Å; R609-I640 HydrophobicContact CG-CD1 3.79Å; R609-I640 HydrophobicContact CG-CG1 4.45Å; R609-I640 HydrophobicContact CG-CG2 4.33Å; I612-I640 HydrophobicContact CD1-CG1 3.75Å; T636-I640 WeakPolarHBondContact O-CD1 3.26Å; T636-I640 WeakPolarHBondContact O-CG1 3.13Å; T636-I640 PolarHBondContact O-N 3.16Å; E637-I640 PolarHBondContact O-N 3.5Å; I640-W642 VanDerWaalsContact C-N 3.3Å; I640-W642 PolarHBondContact O-N 3.18Å; I640-Y643 PolarHBondContact O-N 2.99Å; I640-I644 HydrophobicContact CG2-CD1 3.68Å; I640-I644 HydrophobicContact CG2-CG1 4.41Å; I640-I644 VanDerWaalsContact O-CG1 3.29Å; I640-I644 WeakPolarHBondContact O-CG1 3.4Å; I640-I644 PolarHBondContact O-N 3.4Å
641	N	78.6	Confident	73.8	Confident	86 Å²	86	57 Å²	57	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-60.8	-39.8	177.8	-72.6	-35.6	0	0	0	112.1	E637 I644 Q645	E637-N641 WeakPolarHBondContact O-CB 3.32Å; E637-N641 PolarHBondContact O-N 2.86Å; E637-N641 PolarHBondContact O-ND2 2.72Å; E637-N641 VanDerWaalsContact O-ND2 3.12Å; N641-I644 PolarHBondContact O-N 3.01Å; N641-Q645 WeakPolarHBondContact O-CB 3.32Å; N641-Q645 PolarHBondContact O-N 3.3Å
642	W	77.4	Confident	75.1	Confident	61 Å²	61	55.3 Å²	55.3	23%	0.231	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175	-176.9	90.2	0	0	0	112.2	K638 W639 I640 Q645 R646	K638-W642 VanDerWaalsContact O-CB 3.31Å; K638-W642 WeakPolarHBondContact O-CB 3.37Å; K638-W642 PolarHBondContact O-N 3.17Å; W639-W642 WeakPolarHBondContact O-CB 3.3Å; W639-W642 PolarHBondContact O-N 3.27Å; I640-W642 VanDerWaalsContact C-N 3.3Å; I640-W642 PolarHBondContact O-N 3.18Å; W642-Q645 PolarHBondContact O-N 3.25Å; W642-R646 VanDerWaalsContact CZ2-NH1 3.34Å; W642-R646 WeakPolarHBondContact O-CB 3.41Å; W642-R646 PolarHBondContact O-N 2.79Å
643	Y	80.7	Confident	76.2	Confident	19 Å²	19	58 Å²	58	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-40.3	177	-84	-65.5	0	0	0	112.7	V449 W639 I640 R646 T647	V449-Y643 HydrophobicContact CB-CE1 4.21Å; V449-Y643 HydrophobicContact CG2-CD1 4.39Å; V449-Y643 HydrophobicContact CG2-CE1 3.58Å; W639-Y643 VanDerWaalsContact O-CD2 3.22Å; W639-Y643 WeakPolarHBondContact O-CD2 3.43Å; W639-Y643 PolarHBondContact O-N 3.13Å; I640-Y643 PolarHBondContact O-N 2.99Å; Y643-R646 PolarHBondContact O-N 3.32Å; Y643-T647 WeakPolarHBondContact O-CB 3.35Å; Y643-T647 PolarHBondContact O-N 2.93Å; Y643-T647 PolarHBondContact O-OG1 2.88Å
644	I	82.7	Confident	77	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-53.1	176.2	-70	169.5	0	0	0	109.9	L601 E605 I608 I640 N641 R646 T647 D648	L601-I644 HydrophobicContact CD1-CG2 3.98Å; L601-I644 HydrophobicContact CD2-CG2 3.74Å; L601-I644 HydrophobicContact CG-CG2 3.9Å; E605-I644 HydrophobicContact CB-CD1 3.76Å; E605-I644 HydrophobicContact CB-CG1 4.38Å; E605-I644 HydrophobicContact CG-CD1 3.66Å; I608-I644 HydrophobicContact CD1-CG1 4.48Å; I640-I644 HydrophobicContact CG2-CD1 3.68Å; I640-I644 HydrophobicContact CG2-CG1 4.41Å; I640-I644 VanDerWaalsContact O-CG1 3.29Å; I640-I644 WeakPolarHBondContact O-CG1 3.4Å; I640-I644 PolarHBondContact O-N 3.4Å; N641-I644 PolarHBondContact O-N 3.01Å; I644-R646 VanDerWaalsContact C-N 3.29Å; I644-R646 PolarHBondContact O-N 3.33Å; I644-T647 PolarHBondContact O-N 2.98Å; I644-T647 VanDerWaalsContact O-N 3.15Å; I644-D648 WeakPolarHBondContact O-CB 3.37Å; I644-D648 PolarHBondContact O-N 3.33Å
645	Q	81.2	Confident	77.7	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.514	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-41.3	179.6	-171.9	-176.5	2.7	0	0	111.5	N641 W642 T647 D648 Q649	N641-Q645 WeakPolarHBondContact O-CB 3.32Å; N641-Q645 PolarHBondContact O-N 3.3Å; W642-Q645 PolarHBondContact O-N 3.25Å; Q645-T647 VanDerWaalsContact C-N 3.33Å; Q645-T647 PolarHBondContact O-N 2.83Å; Q645-D648 PolarHBondContact O-N 3.17Å; Q645-Q649 HydrophobicContact CG-CG 4.35Å; Q645-Q649 VanDerWaalsContact O-CB 3.3Å; Q645-Q649 WeakPolarHBondContact O-CB 3.29Å; Q645-Q649 PolarHBondContact O-N 3.41Å
646	R	81.3	Confident	78	Confident	10 Å²	10	58.8 Å²	58.8	4%	0.038	27%	0.271	C	S	.	.	I	π-helix	trans	-61.6	-42.4	176.9	-174.8	171.7	173.1	123.3	-0.7	111.7	E579 W642 Y643 I644 L650 Y651	E579-R646 IonicContact OE1-CZ 3.01Å; E579-R646 VanDerWaalsContact OE1-CZ 3.25Å; E579-R646 IonicContact OE1-NH1 3.22Å; E579-R646 PolarHBondContact OE1-NH1 2.9Å; E579-R646 IonicContact OE1-NH2 3.49Å; E579-R646 PolarHBondContact OE1-NH2 2.95Å; E579-R646 IonicContact OE2-CZ 2.55Å; E579-R646 IonicContact OE2-NH2 3.22Å; E579-R646 PolarHBondContact OE2-NH2 2.91Å; W642-R646 VanDerWaalsContact CZ2-NH1 3.34Å; W642-R646 WeakPolarHBondContact O-CB 3.41Å; W642-R646 PolarHBondContact O-N 2.79Å; Y643-R646 PolarHBondContact O-N 3.32Å; I644-R646 VanDerWaalsContact C-N 3.29Å; I644-R646 PolarHBondContact O-N 3.33Å; R646-L650 HydrophobicContact CG-CB 3.98Å; R646-L650 HydrophobicContact CG-CD2 3.7Å; R646-L650 HydrophobicContact CG-CG 4.47Å; R646-L650 WeakPolarHBondContact O-CA 3.22Å; R646-L650 VanDerWaalsContact O-CB 3.27Å; R646-L650 WeakPolarHBondContact O-CB 3.49Å; R646-L650 PolarHBondContact O-N 3.45Å; R646-Y651 HydrophobicContact CG-CD2 4.3Å; R646-Y651 HydrophobicContact CG-CE2 4.1Å; R646-Y651 WeakPolarHBondContact O-CD2 3.01Å; R646-Y651 PolarHBondContact O-N 3.28Å; R646-Y651 VanDerWaalsContact O-N 3.11Å
647	T	83.9	Confident	78.3	Confident	8 Å²	8	62.6 Å²	62.6	5%	0.049	29%	0.29	C	S	.	.	I	π-helix	trans	-67.2	-44.7	178.4	-57.7	0	0	0	0	112.1	P448 P598 L601 Y604 Y643 I644 Q645 P652	P448-T647 VanDerWaalsContact CB-OG1 3.32Å; P448-T647 WeakPolarHBondContact CB-OG1 3.3Å; P448-T647 HydrophobicContact CG-CG2 3.9Å; P598-T647 HydrophobicContact CG-CG2 3.62Å; L601-T647 HydrophobicContact CD1-CG2 4.38Å; Y604-T647 HydrophobicContact CD1-CG2 4.29Å; Y604-T647 HydrophobicContact CE1-CG2 4.01Å; Y604-T647 WeakPolarHBondContact CE1-OG1 3.23Å; Y643-T647 WeakPolarHBondContact O-CB 3.35Å; Y643-T647 PolarHBondContact O-N 2.93Å; Y643-T647 PolarHBondContact O-OG1 2.88Å; I644-T647 PolarHBondContact O-N 2.98Å; I644-T647 VanDerWaalsContact O-N 3.15Å; Q645-T647 VanDerWaalsContact C-N 3.33Å; Q645-T647 PolarHBondContact O-N 2.83Å; T647-P652 WeakPolarHBondContact O-CD 3.37Å
648	D	83.8	Confident	77.9	Confident	92 Å²	92	59.9 Å²	59.9	49%	0.492	28%	0.278	S	S	.	.	I	π-helix	trans	-73.9	-38	-177.3	-175.3	57.7	0	0	0	113	L601 I644 Q645 P652	L601-D648 HydrophobicContact CD1-CB 4.34Å; L601-D648 HydrophobicContact CD2-CB 4.02Å; I644-D648 WeakPolarHBondContact O-CB 3.37Å; I644-D648 PolarHBondContact O-N 3.33Å; Q645-D648 PolarHBondContact O-N 3.17Å; D648-P652 WeakPolarHBondContact O-CG 3.49Å
649	Q	81.8	Confident	77.7	Confident	98 Å²	98	59.3 Å²	59.3	46%	0.458	29%	0.286	S	S	.	.	I	π-helix	trans	-110.2	-54.1	-170.8	-57.9	-179	-9.9	0	0	112.8	Q645 Q653	Q645-Q649 HydrophobicContact CG-CG 4.35Å; Q645-Q649 VanDerWaalsContact O-CB 3.3Å; Q645-Q649 WeakPolarHBondContact O-CB 3.29Å; Q645-Q649 PolarHBondContact O-N 3.41Å; Q649-Q653 WeakPolarHBondContact O-CB 3.49Å; Q649-Q653 PolarHBondContact O-N 3.31Å
650	L	79.9	Confident	77.8	Confident	38 Å²	38	57.2 Å²	57.2	20%	0.199	29%	0.29	C	S	.	.	I	π-helix	trans	-70.8	-46.9	-168.3	-171.6	76.3	0	0	0	112.5	L415 L578 R646 Q653 I654	L415-L650 HydrophobicContact CD1-CD1 4.46Å; L415-L650 HydrophobicContact CD1-CD2 3.63Å; L415-L650 HydrophobicContact CD2-CD2 4.44Å; L578-L650 HydrophobicContact CD1-CD2 3.83Å; L578-L650 HydrophobicContact CD1-CG 4.34Å; R646-L650 HydrophobicContact CG-CB 3.98Å; R646-L650 HydrophobicContact CG-CD2 3.7Å; R646-L650 HydrophobicContact CG-CG 4.47Å; R646-L650 WeakPolarHBondContact O-CA 3.22Å; R646-L650 VanDerWaalsContact O-CB 3.27Å; R646-L650 WeakPolarHBondContact O-CB 3.49Å; R646-L650 PolarHBondContact O-N 3.45Å; L650-Q653 PolarHBondContact O-N 3.37Å; L650-I654 HydrophobicContact CD1-CD1 4.08Å; L650-I654 HydrophobicContact CD1-CG1 4.47Å; L650-I654 HydrophobicContact CD2-CD1 4.14Å; L650-I654 HydrophobicContact CG-CD1 3.74Å; L650-I654 HydrophobicContact CG-CG1 4.39Å; L650-I654 WeakPolarHBondContact O-CB 3.14Å; L650-I654 WeakPolarHBondContact O-CG1 3.45Å; L650-I654 PolarHBondContact O-N 3.46Å
651	Y	83.6	Confident	77.5	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-50.5	-179.7	-81.2	-88	0	0	0	112.5	I446 G447 P448 L578 L595 L597 R646 Q653 I654 H655	I446-Y651 HydrophobicContact CG2-CE1 4.14Å; G447-Y651 PolarHBondContact O-OH 3.2Å; P448-Y651 HydrophobicContact CB-CE2 3.91Å; P448-Y651 HydrophobicContact CG-CE2 4.49Å; L578-Y651 HydrophobicContact CD1-CD1 3.9Å; L578-Y651 HydrophobicContact CD1-CD2 4.31Å; L578-Y651 HydrophobicContact CD1-CE1 3.79Å; L578-Y651 HydrophobicContact CD1-CE2 4.18Å; L578-Y651 HydrophobicContact CD1-CG 4.19Å; L578-Y651 HydrophobicContact CD2-CD1 3.76Å; L578-Y651 HydrophobicContact CD2-CE1 3.68Å; L578-Y651 HydrophobicContact CG-CD1 3.85Å; L578-Y651 HydrophobicContact CG-CE1 3.42Å; L578-Y651 VanDerWaalsContact CG-CE1 3.42Å; L595-Y651 HydrophobicContact CD1-CD1 3.45Å; L595-Y651 VanDerWaalsContact CD1-CD1 3.45Å; L595-Y651 HydrophobicContact CD1-CE1 3.82Å; L595-Y651 HydrophobicContact CD1-CG 4.45Å; L597-Y651 HydrophobicContact CD2-CD1 4.23Å; L597-Y651 HydrophobicContact CD2-CD2 4.44Å; L597-Y651 HydrophobicContact CD2-CG 3.94Å; R646-Y651 HydrophobicContact CG-CD2 4.3Å; R646-Y651 HydrophobicContact CG-CE2 4.1Å; R646-Y651 WeakPolarHBondContact O-CD2 3.01Å; R646-Y651 PolarHBondContact O-N 3.28Å; R646-Y651 VanDerWaalsContact O-N 3.11Å; Y651-Q653 VanDerWaalsContact C-N 3.31Å; Y651-Q653 PolarHBondContact O-N 2.89Å; Y651-I654 PolarHBondContact O-N 3.2Å; Y651-H655 WeakPolarHBondContact O-CB 2.95Å; Y651-H655 PolarHBondContact O-N 2.94Å
652	P	80.2	Confident	77.7	Confident	40 Å²	40	53.4 Å²	53.4	26%	0.26	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-37.4	175.1	-26.1	37.1	0	0	0	112.9	T647 D648 H655 R656	T647-P652 WeakPolarHBondContact O-CD 3.37Å; D648-P652 WeakPolarHBondContact O-CG 3.49Å; P652-H655 PolarHBondContact O-N 3.43Å; P652-R656 WeakPolarHBondContact O-CB 3.46Å; P652-R656 WeakPolarHBondContact O-CG 3.34Å; P652-R656 PolarHBondContact O-N 3.32Å
653	Q	76.8	Confident	78	Confident	91 Å²	91	53.3 Å²	53.3	43%	0.425	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-51.5	174.7	179.4	177	4	0	0	111.4	Q649 L650 Y651 H655 R656 D657	Q649-Q653 WeakPolarHBondContact O-CB 3.49Å; Q649-Q653 PolarHBondContact O-N 3.31Å; L650-Q653 PolarHBondContact O-N 3.37Å; Y651-Q653 VanDerWaalsContact C-N 3.31Å; Y651-Q653 PolarHBondContact O-N 2.89Å; Q653-H655 VanDerWaalsContact C-N 3.3Å; Q653-H655 PolarHBondContact O-N 2.97Å; Q653-R656 PolarHBondContact O-N 2.99Å; Q653-R656 VanDerWaalsContact O-N 3.15Å; Q653-D657 VanDerWaalsContact CG-OD2 3.25Å; Q653-D657 WeakPolarHBondContact CG-OD2 3.42Å; Q653-D657 WeakPolarHBondContact O-CB 3.49Å; Q653-D657 PolarHBondContact O-N 3.03Å
654	I	74.4	Confident	78.2	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-39.2	179.6	-73.8	171.3	0	0	0	111.5	L415 L578 L650 Y651 D657 N658 L661 F662	L415-I654 HydrophobicContact CD2-CD1 4.2Å; L578-I654 HydrophobicContact CD1-CD1 3.51Å; L578-I654 HydrophobicContact CD2-CD1 4.2Å; L578-I654 HydrophobicContact CD2-CG2 4.23Å; L578-I654 HydrophobicContact CG-CD1 4.37Å; L650-I654 HydrophobicContact CD1-CD1 4.08Å; L650-I654 HydrophobicContact CD1-CG1 4.47Å; L650-I654 HydrophobicContact CD2-CD1 4.14Å; L650-I654 HydrophobicContact CG-CD1 3.74Å; L650-I654 HydrophobicContact CG-CG1 4.39Å; L650-I654 WeakPolarHBondContact O-CB 3.14Å; L650-I654 WeakPolarHBondContact O-CG1 3.45Å; L650-I654 PolarHBondContact O-N 3.46Å; Y651-I654 PolarHBondContact O-N 3.2Å; I654-D657 PolarHBondContact O-N 3.01Å; I654-N658 VanDerWaalsContact O-CB 3.31Å; I654-N658 WeakPolarHBondContact O-CB 3.22Å; I654-N658 PolarHBondContact O-N 3.05Å; I654-N658 PolarHBondContact O-ND2 2.98Å; I654-L661 HydrophobicContact CG2-CD2 3.42Å; I654-L661 VanDerWaalsContact CG2-CD2 3.42Å; I654-F662 HydrophobicContact CG2-CE2 4.21Å
655	H	76.7	Confident	78.4	Confident	73 Å²	73	55.1 Å²	55.1	34%	0.338	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-42.7	175.5	178	58.8	0	0	0	112.1	L595 Y651 P652 Q653 F662	L595-H655 HydrophobicContact CD2-CB 4.38Å; Y651-H655 WeakPolarHBondContact O-CB 2.95Å; Y651-H655 PolarHBondContact O-N 2.94Å; P652-H655 PolarHBondContact O-N 3.43Å; Q653-H655 VanDerWaalsContact C-N 3.3Å; Q653-H655 PolarHBondContact O-N 2.97Å; H655-F662 HydrophobicContact CB-CD2 4.09Å; H655-F662 HydrophobicContact CB-CE2 4.18Å; H655-F662 AromaticContact ND1-CD2 3.65Å
656	R	71.6	Confident	78.8	Confident	182 Å²	182	50.8 Å²	50.8	69%	0.687	27%	0.27	S	S	*	.	H	α-helix	trans	-65.4	-43.5	175	-74.9	-173.5	-61.3	-144.9	-0.6	112.5	P652 Q653 N658	P652-R656 WeakPolarHBondContact O-CB 3.46Å; P652-R656 WeakPolarHBondContact O-CG 3.34Å; P652-R656 PolarHBondContact O-N 3.32Å; Q653-R656 PolarHBondContact O-N 2.99Å; Q653-R656 VanDerWaalsContact O-N 3.15Å; R656-N658 VanDerWaalsContact C-N 3.29Å; R656-N658 PolarHBondContact O-N 3.11Å
657	D	71.4	Confident	79	Confident	94 Å²	94	52.8 Å²	52.8	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-75.5	-21.1	-174.2	-66.3	-9.2	0	0	0	111.9	Q653 I654	Q653-D657 VanDerWaalsContact CG-OD2 3.25Å; Q653-D657 WeakPolarHBondContact CG-OD2 3.42Å; Q653-D657 WeakPolarHBondContact O-CB 3.49Å; Q653-D657 PolarHBondContact O-N 3.03Å; I654-D657 PolarHBondContact O-N 3.01Å
658	N	67.5	Low	79	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.107	28%	0.284	C	S	.	.	S	Bend	trans	-128.8	71	-175.3	-53.6	-83.1	0	0	0	111.9	I422 I654 R656 G660 L661	I422-N658 VanDerWaalsContact CB-OD1 3.26Å; I422-N658 WeakPolarHBondContact CB-OD1 3.42Å; I422-N658 WeakPolarHBondContact CD1-OD1 3.21Å; I422-N658 HydrophobicContact CG2-CB 4.36Å; I422-N658 WeakPolarHBondContact CG2-OD1 3.3Å; I654-N658 VanDerWaalsContact O-CB 3.31Å; I654-N658 WeakPolarHBondContact O-CB 3.22Å; I654-N658 PolarHBondContact O-N 3.05Å; I654-N658 PolarHBondContact O-ND2 2.98Å; R656-N658 VanDerWaalsContact C-N 3.29Å; R656-N658 PolarHBondContact O-N 3.11Å; N658-G660 PolarHBondContact O-N 3.35Å; N658-L661 HydrophobicContact CB-CB 3.72Å; N658-L661 HydrophobicContact CB-CD2 3.86Å; N658-L661 HydrophobicContact CB-CG 4.39Å; N658-L661 WeakPolarHBondContact O-CB 3.27Å; N658-L661 PolarHBondContact O-N 3.42Å
659	P	70.5	Confident	78.7	Confident	100 Å²	100	51.1 Å²	51.1	65%	0.649	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	129.5	175.4	23.6	-32.3	0	0	0	110.9
660	G	71.8	Confident	78.7	Confident	39 Å²	39	50.6 Å²	50.6	40%	0.402	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	2.9	-173.7	0	0	0	0	0	114.9	R585 N658	R585-G660 PolarHBondContact NH2-O 2.83Å; N658-G660 PolarHBondContact O-N 3.35Å
661	L	72.4	Confident	78.6	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	28%	0.276	C	S	.	.	S	Bend	trans	-64.3	-48.9	167.8	-179.5	60.1	0	0	0	110.6	L581 R585 S593 I654 N658	L581-L661 HydrophobicContact CD2-CD1 3.6Å; L581-L661 HydrophobicContact CD2-CD2 4.4Å; L581-L661 HydrophobicContact CD2-CG 3.8Å; L581-L661 HydrophobicContact CG-CD1 4.17Å; R585-L661 VanDerWaalsContact CZ-CD1 3.48Å; R585-L661 PolarHBondContact NH2-O 3.14Å; S593-L661 PolarHBondContact OG-O 3.47Å; I654-L661 HydrophobicContact CG2-CD2 3.42Å; I654-L661 VanDerWaalsContact CG2-CD2 3.42Å; N658-L661 HydrophobicContact CB-CB 3.72Å; N658-L661 HydrophobicContact CB-CD2 3.86Å; N658-L661 HydrophobicContact CB-CG 4.39Å; N658-L661 WeakPolarHBondContact O-CB 3.27Å; N658-L661 PolarHBondContact O-N 3.42Å
662	F	82.9	Confident	78.4	Confident	11 Å²	11	52.8 Å²	52.8	5%	0.048	29%	0.288	C	S	.	.			trans	-105	130.5	175.6	-53.8	-73.1	0	0	0	110	I446 L578 L581 S593 L595 I654 H655	I446-F662 HydrophobicContact CB-CE1 4.1Å; I446-F662 HydrophobicContact CG1-CE1 4.45Å; I446-F662 HydrophobicContact CG2-CE1 3.99Å; L578-F662 HydrophobicContact CD2-CZ 3.71Å; L581-F662 HydrophobicContact CD2-CD1 4.04Å; L581-F662 HydrophobicContact CD2-CE1 3.55Å; L581-F662 HydrophobicContact CD2-CZ 4.17Å; S593-F662 CarbonylContact O-C 3.58Å; S593-F662 WeakPolarHBondContact O-CA 3.49Å; S593-F662 WeakPolarHBondContact OG-CA 3.31Å; S593-F662 WeakPolarHBondContact OG-CD1 3.31Å; L595-F662 HydrophobicContact CB-CB 4.22Å; L595-F662 HydrophobicContact CB-CD1 3.64Å; L595-F662 HydrophobicContact CB-CD2 4.28Å; L595-F662 HydrophobicContact CB-CE1 3.99Å; L595-F662 HydrophobicContact CB-CG 3.78Å; L595-F662 HydrophobicContact CB-CZ 4.46Å; L595-F662 HydrophobicContact CD1-CE1 4.22Å; L595-F662 HydrophobicContact CD1-CZ 4.25Å; L595-F662 HydrophobicContact CD2-CD2 3.99Å; L595-F662 HydrophobicContact CD2-CE2 3.9Å; L595-F662 HydrophobicContact CD2-CG 4.35Å; L595-F662 HydrophobicContact CD2-CZ 4.19Å; L595-F662 HydrophobicContact CG-CE1 4.48Å; I654-F662 HydrophobicContact CG2-CE2 4.21Å; H655-F662 HydrophobicContact CB-CD2 4.09Å; H655-F662 HydrophobicContact CB-CE2 4.18Å; H655-F662 AromaticContact ND1-CD2 3.65Å
663	D	82.3	Confident	78.5	Confident	59 Å²	59	54.8 Å²	54.8	32%	0.316	29%	0.294	S	S	.	.	S	Bend	trans	-76.5	-26.7	177.4	-63.9	-84	0	0	0	112	R592 S593	R592-D663 VanDerWaalsContact CA-OD2 3.26Å; R592-D663 WeakPolarHBondContact CA-OD2 3.22Å; R592-D663 HydrophobicContact CG-CB 4.05Å; R592-D663 WeakPolarHBondContact CG-OD2 3.21Å; R592-D663 IonicContact NH1-OD1 3.89Å; S593-D663 PolarHBondContact N-OD2 3.23Å; S593-D663 PolarHBondContact O-N 3.26Å
664	A	85.3	Confident	79	Confident	19 Å²	19	50.5 Å²	50.5	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.5	173.3	0	0	0	0	0	110.9	I594 L595 L681	I594-A664 HydrophobicContact CG2-CB 4.46Å; L595-A664 PolarHBondContact N-O 3.18Å; A664-L681 HydrophobicContact CB-CD1 4.14Å; A664-L681 HydrophobicContact CB-CD2 3.35Å; A664-L681 HydrophobicContact CB-CG 4.37Å
665	V	88.2	Confident	79.5	Confident	60 Å²	60	50.1 Å²	50.1	36%	0.364	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.4	171.6	-173.7	0	0	0	0	107.7	L595 L597	L595-V665 HydrophobicContact CB-CG1 4.33Å; L595-V665 HydrophobicContact CB-CG2 4.2Å; L595-V665 HydrophobicContact CD2-CG1 4.17Å; L595-V665 HydrophobicContact CD2-CG2 4.24Å; L595-V665 HydrophobicContact CG-CG1 4.23Å; L595-V665 CarbonylContact O-C 3.35Å; L595-V665 WeakPolarHBondContact O-CA 3.34Å; L597-V665 HydrophobicContact CD1-CG1 4.41Å
666	L	89.4	Confident	79.7	Confident	20 Å²	20	50.5 Å²	50.5	11%	0.105	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.5	176.9	-57.8	-179.2	0	0	0	108.9	I594 L595 C596 L597 L674 Q677 L678	I594-L666 HydrophobicContact CG2-CD1 3.92Å; I594-L666 HydrophobicContact CG2-CG 4.03Å; L595-L666 PolarHBondContact O-N 3.06Å; C596-L666 WeakPolarHBondContact CA-O 3.14Å; L597-L666 PolarHBondContact N-O 3.25Å; L666-L674 HydrophobicContact CB-CD1 3.63Å; L666-L674 HydrophobicContact CD1-CD1 4.38Å; L666-Q677 HydrophobicContact CD1-CB 4.2Å; L666-Q677 HydrophobicContact CD2-CB 4.09Å; L666-L678 HydrophobicContact CD1-CB 3.86Å; L666-L678 HydrophobicContact CD1-CD1 3.96Å
667	S	85	Confident	80.4	Confident	51 Å²	51	44.5 Å²	44.5	36%	0.357	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	114	-179.4	70.8	0	0	0	0	111.3	L597 N599	L597-S667 VanDerWaalsContact O-CA 3.26Å; L597-S667 WeakPolarHBondContact O-CA 3.1Å; N599-S667 PolarHBondContact ND2-O 3.14Å; N599-S667 VanDerWaalsContact OD1-C 3.24Å; N599-S667 WeakPolarHBondContact OD1-CB 3.3Å; N599-S667 PolarHBondContact OD1-O 3.16Å; N599-S667 PolarHBondContact OD1-OG 2.86Å
668	S	82.8	Confident	81.2	Confident	4 Å²	4	40 Å²	40	3%	0.028	23%	0.23	C	C	.	.			trans	-155.9	145.8	176.2	177.5	0	0	0	0	110.1	L597 N599 D670 E673	L597-S668 PolarHBondContact O-N 3.13Å; N599-S668 WeakPolarHBondContact ND2-CA 3.3Å; S668-D670 PolarHBondContact OG-N 3.22Å; S668-D670 PolarHBondContact OG-O 2.92Å; S668-E673 WeakPolarHBondContact CB-OE2 3.45Å; S668-E673 PolarHBondContact OG-OE2 3.49Å
669	D	79.3	Confident	81.9	Confident	61 Å²	61	39.6 Å²	39.6	33%	0.326	23%	0.227	S	C	.	.	S	Bend	trans	-85.8	-16.8	171.7	-62.1	-36.3	0	0	0	111.6	N599 N600	N599-D669 PolarHBondContact N-OD1 2.99Å; N600-D669 WeakPolarHBondContact CB-OD2 3.27Å; N600-D669 PolarHBondContact N-OD1 2.83Å; N600-D669 PolarHBondContact N-OD2 3.4Å
670	D	80.4	Confident	82.3	Confident	88 Å²	88	39.7 Å²	39.7	47%	0.471	22%	0.221	S	C	.	.			trans	-94.3	124.3	176.8	-177	3.2	0	0	0	110.5	S668 Q672 E673 L674	S668-D670 PolarHBondContact OG-N 3.22Å; S668-D670 PolarHBondContact OG-O 2.92Å; D670-Q672 PolarHBondContact O-N 3.19Å; D670-Q672 PolarHBondContact OD1-N 3.3Å; D670-E673 HydrophobicContact CB-CB 3.96Å; D670-E673 PolarHBondContact O-N 2.76Å; D670-L674 WeakPolarHBondContact O-CB 3.44Å; D670-L674 PolarHBondContact O-N 3.12Å
671	T	78.8	Confident	82.8	Confident	32 Å²	32	39.4 Å²	39.4	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-31.6	177.9	-55.9	0	0	0	0	111.5	N452 L456 F675 M699	N452-T671 HydrophobicContact CB-CG2 3.83Å; N452-T671 PolarHBondContact ND2-OG1 3.29Å; N452-T671 VanDerWaalsContact ND2-OG1 3.14Å; L456-T671 HydrophobicContact CD2-CG2 4Å; T671-F675 WeakPolarHBondContact O-CB 3.44Å; T671-F675 PolarHBondContact O-N 2.91Å; T671-M699 HydrophobicContact CG2-SD 4.46Å
672	Q	79.6	Confident	83.1	Confident	52 Å²	52	39.3 Å²	39.3	24%	0.243	21%	0.21	C	C	.	.	H	α-helix	trans	-77.2	-41.5	-178.6	-172.9	151.2	-16.8	0	0	112.4	D670 F675 Q676 Q698 M699	D670-Q672 PolarHBondContact O-N 3.19Å; D670-Q672 PolarHBondContact OD1-N 3.3Å; Q672-F675 WeakPolarHBondContact O-CB 3.22Å; Q672-F675 PolarHBondContact O-N 2.95Å; Q672-Q676 WeakPolarHBondContact O-CG 3.35Å; Q672-Q676 PolarHBondContact O-N 3.49Å; Q672-Q698 VanDerWaalsContact NE2-CB 3.28Å; Q672-M699 HydrophobicContact CG-CB 4.26Å; Q672-M699 HydrophobicContact CG-CG 4.46Å; Q672-M699 PolarHBondContact OE1-O 3.17Å
673	E	82.4	Confident	82.5	Confident	81 Å²	81	39.6 Å²	39.6	38%	0.379	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-46.1	171.3	-173.1	-168.8	-177.3	0	0	110.8	S668 D670 F675 Q676 Q677	S668-E673 WeakPolarHBondContact CB-OE2 3.45Å; S668-E673 PolarHBondContact OG-OE2 3.49Å; D670-E673 HydrophobicContact CB-CB 3.96Å; D670-E673 PolarHBondContact O-N 2.76Å; E673-F675 PolarHBondContact O-N 2.93Å; E673-Q676 PolarHBondContact O-N 2.91Å; E673-Q676 VanDerWaalsContact O-N 3.11Å; E673-Q677 WeakPolarHBondContact O-CG 3.42Å; E673-Q677 PolarHBondContact O-N 3.02Å; E673-Q677 PolarHBondContact OE1-NE2 3.47Å
674	L	85.8	Confident	81.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-38.5	177.2	-172.5	65.2	0	0	0	111.7	I451 L456 C596 L666 D670 L678	I451-L674 HydrophobicContact CG2-CD2 3.37Å; L456-L674 HydrophobicContact CD1-CD2 3.58Å; L456-L674 HydrophobicContact CD1-CG 4.08Å; C596-L674 HydrophobicContact CB-CD1 4.38Å; C596-L674 HydrophobicContact CB-CD2 4.16Å; L666-L674 HydrophobicContact CB-CD1 3.63Å; L666-L674 HydrophobicContact CD1-CD1 4.38Å; D670-L674 WeakPolarHBondContact O-CB 3.44Å; D670-L674 PolarHBondContact O-N 3.12Å; L674-L678 WeakPolarHBondContact O-CB 3.34Å; L674-L678 PolarHBondContact O-N 3.19Å
675	F	85.1	Confident	81.2	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-43.3	174.6	176.6	-105.5	0	0	0	113.3	L456 F459 L460 Q463 T671 Q672 E673 L678 L679 M699	L456-F675 HydrophobicContact CD2-CB 3.78Å; L456-F675 HydrophobicContact CD2-CD2 4.35Å; F459-F675 HydrophobicContact CB-CD2 4.17Å; F459-F675 HydrophobicContact CB-CE2 3.6Å; F459-F675 HydrophobicContact CB-CZ 4.02Å; L460-F675 HydrophobicContact CD2-CD2 4.37Å; L460-F675 HydrophobicContact CD2-CE2 3.83Å; L460-F675 HydrophobicContact CG-CD2 4.35Å; L460-F675 HydrophobicContact CG-CE2 3.93Å; Q463-F675 HydrophobicContact CG-CZ 4.02Å; T671-F675 WeakPolarHBondContact O-CB 3.44Å; T671-F675 PolarHBondContact O-N 2.91Å; Q672-F675 WeakPolarHBondContact O-CB 3.22Å; Q672-F675 PolarHBondContact O-N 2.95Å; E673-F675 PolarHBondContact O-N 2.93Å; F675-L678 PolarHBondContact O-N 3.32Å; F675-L679 HydrophobicContact CE1-CD2 4.38Å; F675-L679 VanDerWaalsContact O-CB 3.29Å; F675-L679 WeakPolarHBondContact O-CB 3.23Å; F675-L679 PolarHBondContact O-N 3.37Å; F675-M699 HydrophobicContact CB-CE 3.59Å; F675-M699 HydrophobicContact CB-CG 4.42Å; F675-M699 HydrophobicContact CD1-CE 3.99Å; F675-M699 HydrophobicContact CD1-CG 4.01Å; F675-M699 HydrophobicContact CD2-CE 3.28Å; F675-M699 HydrophobicContact CE2-CE 3.91Å; F675-M699 HydrophobicContact CG-CE 3.32Å; F675-M699 HydrophobicContact CG-CG 4.19Å; F675-M699 HydrophobicContact CZ-CE 4.49Å
676	Q	82.2	Confident	80.2	Confident	81 Å²	81	42.3 Å²	42.3	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-44.4	177.1	-72.9	179.3	-14.9	0	0	111.4	Q672 E673 L678 L679 L680	Q672-Q676 WeakPolarHBondContact O-CG 3.35Å; Q672-Q676 PolarHBondContact O-N 3.49Å; E673-Q676 PolarHBondContact O-N 2.91Å; E673-Q676 VanDerWaalsContact O-N 3.11Å; Q676-L678 VanDerWaalsContact C-N 3.32Å; Q676-L678 PolarHBondContact O-N 2.84Å; Q676-L679 PolarHBondContact O-N 2.86Å; Q676-L680 WeakPolarHBondContact O-CG 3.4Å; Q676-L680 PolarHBondContact O-N 3.2Å
677	Q	86	Confident	78.7	Confident	57 Å²	57	44.6 Å²	44.6	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-45.1	174.7	-68.3	179.7	6.1	0	0	111.3	L666 E673 L680 L681	L666-Q677 HydrophobicContact CD1-CB 4.2Å; L666-Q677 HydrophobicContact CD2-CB 4.09Å; E673-Q677 WeakPolarHBondContact O-CG 3.42Å; E673-Q677 PolarHBondContact O-N 3.02Å; E673-Q677 PolarHBondContact OE1-NE2 3.47Å; Q677-L680 PolarHBondContact O-N 3.37Å; Q677-L681 WeakPolarHBondContact O-CB 3.39Å; Q677-L681 PolarHBondContact O-N 3.11Å
678	L	86.8	Confident	77.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-41.5	179	-176	61.2	0	0	0	112.1	I445 L456 L460 I594 L666 L674 F675 Q676 L681 I682	I445-L678 HydrophobicContact CD1-CD2 3.89Å; L456-L678 HydrophobicContact CB-CD2 4.23Å; L456-L678 HydrophobicContact CD1-CD2 4.36Å; L460-L678 HydrophobicContact CD1-CD2 3.44Å; L460-L678 VanDerWaalsContact CD1-CD2 3.44Å; L460-L678 HydrophobicContact CD1-CG 3.86Å; L460-L678 HydrophobicContact CD2-CG 4.48Å; L460-L678 HydrophobicContact CG-CD2 4.25Å; I594-L678 HydrophobicContact CB-CD1 4.5Å; I594-L678 HydrophobicContact CD1-CD1 3.43Å; I594-L678 VanDerWaalsContact CD1-CD1 3.43Å; I594-L678 HydrophobicContact CG2-CD1 4.07Å; L666-L678 HydrophobicContact CD1-CB 3.86Å; L666-L678 HydrophobicContact CD1-CD1 3.96Å; L674-L678 WeakPolarHBondContact O-CB 3.34Å; L674-L678 PolarHBondContact O-N 3.19Å; F675-L678 PolarHBondContact O-N 3.32Å; Q676-L678 VanDerWaalsContact C-N 3.32Å; Q676-L678 PolarHBondContact O-N 2.84Å; L678-L681 PolarHBondContact O-N 3.14Å; L678-I682 HydrophobicContact CD1-CD1 4.05Å; L678-I682 HydrophobicContact CD1-CG1 4.49Å; L678-I682 HydrophobicContact CG-CD1 3.91Å; L678-I682 WeakPolarHBondContact O-CB 3.22Å; L678-I682 WeakPolarHBondContact O-CD1 3.48Å; L678-I682 WeakPolarHBondContact O-CG1 3.14Å; L678-I682 PolarHBondContact O-N 3.15Å
679	L	82	Confident	75.9	Confident	11 Å²	11	50.2 Å²	50.2	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-48.2	177.1	-178.8	63.1	0	0	0	111.1	L460 L464 F675 Q676 L681 I682 L683 L694 M697	L460-L679 HydrophobicContact CD2-CD1 4.32Å; L464-L679 HydrophobicContact CD1-CD1 3.97Å; L464-L679 HydrophobicContact CG-CD1 4.3Å; F675-L679 HydrophobicContact CE1-CD2 4.38Å; F675-L679 VanDerWaalsContact O-CB 3.29Å; F675-L679 WeakPolarHBondContact O-CB 3.23Å; F675-L679 PolarHBondContact O-N 3.37Å; Q676-L679 PolarHBondContact O-N 2.86Å; L679-L681 VanDerWaalsContact C-N 3.31Å; L679-L681 PolarHBondContact O-N 2.76Å; L679-I682 PolarHBondContact O-N 3.17Å; L679-L683 HydrophobicContact CD1-CD1 4.32Å; L679-L683 HydrophobicContact CD1-CG 4.36Å; L679-L683 HydrophobicContact CG-CD1 4.04Å; L679-L683 HydrophobicContact CG-CG 4.49Å; L679-L683 WeakPolarHBondContact O-CB 3.1Å; L679-L683 VanDerWaalsContact O-CG 3.26Å; L679-L683 WeakPolarHBondContact O-CG 3.12Å; L679-L683 PolarHBondContact O-N 2.72Å; L679-L694 HydrophobicContact CD2-CD2 4.08Å; L679-M697 HydrophobicContact CD2-SD 4.49Å
680	L	80.4	Confident	74.3	Confident	101 Å²	101	51.9 Å²	51.9	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-43.9	177.4	-73.2	171.2	0	0	0	111.8	Q676 Q677 L683 D684	Q676-L680 WeakPolarHBondContact O-CG 3.4Å; Q676-L680 PolarHBondContact O-N 3.2Å; Q677-L680 PolarHBondContact O-N 3.37Å; L680-L683 PolarHBondContact O-N 2.96Å; L680-D684 PolarHBondContact O-N 3.49Å
681	L	82	Confident	72.3	Confident	34 Å²	34	51.3 Å²	51.3	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-42.4	177.6	-175.1	72.3	0	0	0	112.1	I594 A664 Q677 L678 L679 D684 Y685	I594-L681 HydrophobicContact CD1-CD2 3.72Å; I594-L681 HydrophobicContact CG1-CD2 4.08Å; I594-L681 HydrophobicContact CG2-CD2 4.33Å; A664-L681 HydrophobicContact CB-CD1 4.14Å; A664-L681 HydrophobicContact CB-CD2 3.35Å; A664-L681 HydrophobicContact CB-CG 4.37Å; Q677-L681 WeakPolarHBondContact O-CB 3.39Å; Q677-L681 PolarHBondContact O-N 3.11Å; L678-L681 PolarHBondContact O-N 3.14Å; L679-L681 VanDerWaalsContact C-N 3.31Å; L679-L681 PolarHBondContact O-N 2.76Å; L681-D684 PolarHBondContact O-N 3.2Å; L681-Y685 HydrophobicContact CD1-CE1 3.83Å; L681-Y685 HydrophobicContact CD1-CE2 4.31Å; L681-Y685 HydrophobicContact CD2-CE2 3.97Å; L681-Y685 HydrophobicContact CG-CD2 4.4Å; L681-Y685 HydrophobicContact CG-CE1 4.09Å; L681-Y685 HydrophobicContact CG-CE2 3.71Å; L681-Y685 WeakPolarHBondContact O-CD1 3.37Å; L681-Y685 WeakPolarHBondContact O-CD2 3.14Å; L681-Y685 PolarHBondContact O-N 2.85Å
682	I	78.2	Confident	70.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-39.2	178.2	-69.3	164.3	0	0	0	111.1	L443 L460 L464 F468 L678 L679 D684 Y685 L686	L443-I682 HydrophobicContact CD2-CD1 3.64Å; L443-I682 HydrophobicContact CD2-CG1 4Å; L460-I682 HydrophobicContact CD1-CD1 3.58Å; L460-I682 HydrophobicContact CD2-CD1 3.63Å; L460-I682 HydrophobicContact CG-CD1 4.25Å; L464-I682 HydrophobicContact CD1-CB 4.49Å; L464-I682 HydrophobicContact CD1-CG2 3.61Å; F468-I682 HydrophobicContact CE2-CG2 3.52Å; F468-I682 HydrophobicContact CZ-CG2 3.85Å; L678-I682 HydrophobicContact CD1-CD1 4.05Å; L678-I682 HydrophobicContact CD1-CG1 4.49Å; L678-I682 HydrophobicContact CG-CD1 3.91Å; L678-I682 WeakPolarHBondContact O-CB 3.22Å; L678-I682 WeakPolarHBondContact O-CD1 3.48Å; L678-I682 WeakPolarHBondContact O-CG1 3.14Å; L678-I682 PolarHBondContact O-N 3.15Å; L679-I682 PolarHBondContact O-N 3.17Å; I682-D684 VanDerWaalsContact C-N 3.33Å; I682-D684 PolarHBondContact O-N 2.89Å; I682-Y685 CarbonylContact O-C 3.6Å; I682-Y685 WeakPolarHBondContact O-CB 3.41Å; I682-Y685 PolarHBondContact O-N 3.48Å; I682-L686 HydrophobicContact CG2-CD1 4.09Å; I682-L686 HydrophobicContact CG2-CG 4.43Å; I682-L686 WeakPolarHBondContact O-CG 3.27Å; I682-L686 PolarHBondContact O-N 2.85Å
683	L	69.6	Low	68.8	Low	17 Å²	17	60.5 Å²	60.5	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-40.6	176.4	-71.3	170.3	0	0	0	111.7	L464 L679 L680 Y685 L686 G687 I688 L694	L464-L683 HydrophobicContact CD2-CD2 4.29Å; L679-L683 HydrophobicContact CD1-CD1 4.32Å; L679-L683 HydrophobicContact CD1-CG 4.36Å; L679-L683 HydrophobicContact CG-CD1 4.04Å; L679-L683 HydrophobicContact CG-CG 4.49Å; L679-L683 WeakPolarHBondContact O-CB 3.1Å; L679-L683 VanDerWaalsContact O-CG 3.26Å; L679-L683 WeakPolarHBondContact O-CG 3.12Å; L679-L683 PolarHBondContact O-N 2.72Å; L680-L683 PolarHBondContact O-N 2.96Å; L683-Y685 VanDerWaalsContact C-N 3.33Å; L683-L686 CarbonylContact O-C 3.58Å; L683-L686 PolarHBondContact O-N 3Å; L683-L686 VanDerWaalsContact O-N 3.15Å; L683-G687 PolarHBondContact O-N 3.28Å; L683-I688 HydrophobicContact CD2-CB 4.17Å; L683-I688 HydrophobicContact CD2-CD1 3.96Å; L683-I688 HydrophobicContact CD2-CG2 4.33Å; L683-I688 PolarHBondContact O-N 2.71Å; L683-I688 VanDerWaalsContact O-N 3.07Å; L683-L694 HydrophobicContact CD1-CD1 3.68Å; L683-L694 HydrophobicContact CD1-CD2 3.61Å; L683-L694 HydrophobicContact CD1-CG 4.31Å
684	D	70.1	Confident	67.1	Low	120 Å²	120	59 Å²	59	64%	0.642	34%	0.343	S	S	*	.	H	α-helix	trans	-60.3	-43.8	171.9	-172	45.7	0	0	0	111.1	L680 L681 I682 L686 G687	L680-D684 PolarHBondContact O-N 3.49Å; L681-D684 PolarHBondContact O-N 3.2Å; I682-D684 VanDerWaalsContact C-N 3.33Å; I682-D684 PolarHBondContact O-N 2.89Å; D684-L686 PolarHBondContact O-N 3.09Å; D684-G687 PolarHBondContact O-N 3.17Å
685	Y	72.1	Confident	65.1	Low	44 Å²	44	63.4 Å²	63.4	17%	0.173	37%	0.374	C	S	.	.	H	α-helix	trans	-64.6	-24.1	175	-64	-16.1	0	0	0	114.7	T432 R592 I594 L681 I682 L683	T432-Y685 PolarHBondContact OG1-O 3.39Å; R592-Y685 HydrophobicContact CG-CE2 4.33Å; R592-Y685 VanDerWaalsContact NH1-CE1 3.31Å; R592-Y685 PolarHBondContact NH1-OH 2.82Å; I594-Y685 HydrophobicContact CD1-CE2 4.3Å; L681-Y685 HydrophobicContact CD1-CE1 3.83Å; L681-Y685 HydrophobicContact CD1-CE2 4.31Å; L681-Y685 HydrophobicContact CD2-CE2 3.97Å; L681-Y685 HydrophobicContact CG-CD2 4.4Å; L681-Y685 HydrophobicContact CG-CE1 4.09Å; L681-Y685 HydrophobicContact CG-CE2 3.71Å; L681-Y685 WeakPolarHBondContact O-CD1 3.37Å; L681-Y685 WeakPolarHBondContact O-CD2 3.14Å; L681-Y685 PolarHBondContact O-N 2.85Å; I682-Y685 CarbonylContact O-C 3.6Å; I682-Y685 WeakPolarHBondContact O-CB 3.41Å; I682-Y685 PolarHBondContact O-N 3.48Å; L683-Y685 VanDerWaalsContact C-N 3.33Å
686	L	65.6	Low	63.1	Low	30 Å²	30	69.9 Å²	69.9	16%	0.157	41%	0.409	C	S	.	.	H	α-helix	trans	-90.3	-9.5	174.6	-67.2	174.7	0	0	0	112.4	T432 Y467 F468 I682 L683 D684 I688	T432-L686 HydrophobicContact CG2-CD2 4.08Å; Y467-L686 HydrophobicContact CD1-CD1 4.38Å; Y467-L686 HydrophobicContact CD1-CD2 4.11Å; Y467-L686 HydrophobicContact CD2-CD1 4.1Å; Y467-L686 HydrophobicContact CE2-CD1 4.43Å; Y467-L686 HydrophobicContact CG-CD1 4.07Å; Y467-L686 HydrophobicContact CG-CD2 4.44Å; F468-L686 HydrophobicContact CE2-CD1 4.21Å; I682-L686 HydrophobicContact CG2-CD1 4.09Å; I682-L686 HydrophobicContact CG2-CG 4.43Å; I682-L686 WeakPolarHBondContact O-CG 3.27Å; I682-L686 PolarHBondContact O-N 2.85Å; L683-L686 CarbonylContact O-C 3.58Å; L683-L686 PolarHBondContact O-N 3Å; L683-L686 VanDerWaalsContact O-N 3.15Å; D684-L686 PolarHBondContact O-N 3.09Å; L686-I688 VanDerWaalsContact C-N 3.32Å; L686-I688 HydrophobicContact CB-CD1 3.87Å; L686-I688 HydrophobicContact CB-CG1 3.96Å; L686-I688 HydrophobicContact CD1-CD1 4.03Å
687	G	59.1	Low	61.6	Low	68 Å²	68	69.4 Å²	69.4	70%	0.701	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	23.1	-177.5	0	0	0	0	0	114.2	L683 D684	L683-G687 PolarHBondContact O-N 3.28Å; D684-G687 PolarHBondContact O-N 3.17Å
688	I	59.3	Low	59.9	Low	70 Å²	70	72 Å²	72	36%	0.359	42%	0.42	S	S	.	.			trans	-87.7	113.5	-179.9	-58.5	171.1	0	0	0	107.9	Y467 L683 L686 S690	Y467-I688 HydrophobicContact CE2-CD1 4.35Å; L683-I688 HydrophobicContact CD2-CB 4.17Å; L683-I688 HydrophobicContact CD2-CD1 3.96Å; L683-I688 HydrophobicContact CD2-CG2 4.33Å; L683-I688 PolarHBondContact O-N 2.71Å; L683-I688 VanDerWaalsContact O-N 3.07Å; L686-I688 VanDerWaalsContact C-N 3.32Å; L686-I688 HydrophobicContact CB-CD1 3.87Å; L686-I688 HydrophobicContact CB-CG1 3.96Å; L686-I688 HydrophobicContact CD1-CD1 4.03Å; I688-S690 PolarHBondContact O-N 3.42Å
689	S	50.1	Low	57.7	Low	104 Å²	104	73 Å²	73	73%	0.727	43%	0.425	S	S	*	.			trans	-62.9	133.4	176.1	44.9	0	0	0	0	110.7	S691	S689-S691 VanDerWaalsContact C-N 3.31Å; S689-S691 PolarHBondContact O-N 3.01Å
690	S	45.5	Very low	55.9	Low	95 Å²	95	76.6 Å²	76.6	66%	0.664	44%	0.444	S	S	*	.			trans	-65.4	82.6	178.7	46.2	0	0	0	0	111.5	I688	I688-S690 PolarHBondContact O-N 3.42Å
691	S	37.6	Very low	54	Low	76 Å²	76	79 Å²	79	53%	0.531	46%	0.457	S	S	.	.			trans	-65.9	144.8	161.9	53.6	0	0	0	0	109.1	S689 D693	S689-S691 VanDerWaalsContact C-N 3.31Å; S689-S691 PolarHBondContact O-N 3.01Å; S691-D693 PolarHBondContact O-N 3.06Å
692	N	42	Very low	51.5	Low	154 Å²	154	83.6 Å²	83.6	82%	0.824	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-54.5	-0.6	-171.4	-78	-27.7	0	0	0	117	L694 S695	N692-L694 VanDerWaalsContact C-N 3.32Å; N692-L694 PolarHBondContact O-N 3.05Å; N692-S695 PolarHBondContact O-OG 3.44Å
693	D	42.6	Very low	49.2	Very low	123 Å²	123	86.3 Å²	86.3	66%	0.658	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-78.7	-9.7	-176.8	-66.2	-36.8	0	0	0	114.3	S691 S695	S691-D693 PolarHBondContact O-N 3.06Å; D693-S695 PolarHBondContact O-N 3.41Å
694	L	47.3	Very low	47	Very low	49 Å²	49	92.8 Å²	92.8	26%	0.257	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-74.2	-21.1	-177.5	-74.5	156	0	0	0	114.5	L679 L683 N692 N696 M697	L679-L694 HydrophobicContact CD2-CD2 4.08Å; L683-L694 HydrophobicContact CD1-CD1 3.68Å; L683-L694 HydrophobicContact CD1-CD2 3.61Å; L683-L694 HydrophobicContact CD1-CG 4.31Å; N692-L694 VanDerWaalsContact C-N 3.32Å; N692-L694 PolarHBondContact O-N 3.05Å; L694-N696 PolarHBondContact O-N 2.77Å; L694-N696 VanDerWaalsContact O-N 3.1Å; L694-M697 HydrophobicContact CD2-SD 4.45Å; L694-M697 PolarHBondContact O-N 3.5Å; L694-M697 VanDerWaalsContact O-N 3.1Å
695	S	42.7	Very low	44.7	Very low	94 Å²	94	92.7 Å²	92.7	66%	0.657	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-61.6	-19	179	58.9	0	0	0	0	113.7	N692 D693	N692-S695 PolarHBondContact O-OG 3.44Å; D693-S695 PolarHBondContact O-N 3.41Å
696	N	44.8	Very low	42.4	Very low	140 Å²	140	98.5 Å²	98.5	75%	0.749	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-92.7	-2.6	178.5	-75.3	-26.3	0	0	0	114.5	L694 Q698	L694-N696 PolarHBondContact O-N 2.77Å; L694-N696 VanDerWaalsContact O-N 3.1Å; N696-Q698 PolarHBondContact O-N 3.44Å
697	M	50	Low	40.5	Very low	71 Å²	71	104.7 Å²	104.7	35%	0.35	61%	0.608	S	S	.	*			trans	-86.9	98.3	179.8	-67	-152.7	150.7	0	0	111.2	Q463 L679 L694	Q463-M697 HydrophobicContact CG-SD 4.45Å; Q463-M697 PolarHBondContact OE1-SD 3.25Å; L679-M697 HydrophobicContact CD2-SD 4.49Å; L694-M697 HydrophobicContact CD2-SD 4.45Å; L694-M697 PolarHBondContact O-N 3.5Å; L694-M697 VanDerWaalsContact O-N 3.1Å
698	Q	50.7	Low	38.8	Very low	111 Å²	111	112.8 Å²	112.8	52%	0.519	62%	0.617	S	S	.	*			trans	-112.6	151.3	177.6	-70.7	-172.4	4.1	0	0	110.7	Q672 N696 N700	Q672-Q698 VanDerWaalsContact NE2-CB 3.28Å; N696-Q698 PolarHBondContact O-N 3.44Å; Q698-N700 VanDerWaalsContact C-N 3.35Å; Q698-N700 PolarHBondContact O-N 3.18Å
699	M	40.8	Very low	37.1	Very low	21 Å²	21	114.8 Å²	114.8	10%	0.103	64%	0.637	C	S	.	*			trans	-70.1	96	164.7	-74.7	-137.8	167.1	0	0	108	L456 F459 T671 Q672 F675	L456-M699 HydrophobicContact CD2-CE 4.07Å; F459-M699 HydrophobicContact CB-CE 3.37Å; F459-M699 HydrophobicContact CB-SD 4.44Å; F459-M699 HydrophobicContact CD1-CE 4.28Å; F459-M699 HydrophobicContact CD1-SD 4.33Å; F459-M699 HydrophobicContact CD2-CE 3.05Å; F459-M699 HydrophobicContact CD2-CG 4.33Å; F459-M699 HydrophobicContact CD2-SD 3.2Å; F459-M699 WeakPolarHBondContact CD2-SD 3.1Å; F459-M699 HydrophobicContact CE1-SD 4.37Å; F459-M699 HydrophobicContact CE2-CE 3.82Å; F459-M699 HydrophobicContact CE2-CG 4.41Å; F459-M699 HydrophobicContact CE2-SD 3.26Å; F459-M699 WeakPolarHBondContact CE2-SD 3.49Å; F459-M699 HydrophobicContact CG-CE 3.32Å; F459-M699 HydrophobicContact CG-CG 4.36Å; F459-M699 HydrophobicContact CG-SD 3.77Å; F459-M699 HydrophobicContact CZ-SD 3.88Å; T671-M699 HydrophobicContact CG2-SD 4.46Å; Q672-M699 HydrophobicContact CG-CB 4.26Å; Q672-M699 HydrophobicContact CG-CG 4.46Å; Q672-M699 PolarHBondContact OE1-O 3.17Å; F675-M699 HydrophobicContact CB-CE 3.59Å; F675-M699 HydrophobicContact CB-CG 4.42Å; F675-M699 HydrophobicContact CD1-CE 3.99Å; F675-M699 HydrophobicContact CD1-CG 4.01Å; F675-M699 HydrophobicContact CD2-CE 3.28Å; F675-M699 HydrophobicContact CE2-CE 3.91Å; F675-M699 HydrophobicContact CG-CE 3.32Å; F675-M699 HydrophobicContact CG-CG 4.19Å; F675-M699 HydrophobicContact CZ-CE 4.49Å
700	N	44.1	Very low	35.8	Very low	86 Å²	86	113.9 Å²	113.9	46%	0.46	64%	0.636	S	S	.	*			trans	-86.9	127.2	169.2	-75.6	-15.6	0	0	0	108.9	Q698 N702	Q698-N700 VanDerWaalsContact C-N 3.35Å; Q698-N700 PolarHBondContact O-N 3.18Å; N700-N702 PolarHBondContact O-N 3.08Å
701	D	40.6	Very low	35.4	Very low	151 Å²	151	119 Å²	119	81%	0.807	67%	0.667	S	S	*	*	S	Bend	trans	-63.5	-8.1	171.9	-83.1	-26.7	0	0	0	113.2	G703	D701-G703 PolarHBondContact O-N 3.22Å
702	N	29.4	Very low	35.3	Very low	132 Å²	132	121.1 Å²	121.1	71%	0.706	67%	0.674	S	S	*	*	S	Bend	trans	-95.7	95.5	177.2	-63.7	-17.4	0	0	0	109.5	N700	N700-N702 PolarHBondContact O-N 3.08Å
703	G	28.2	Very low	34.9	Very low	57 Å²	57	119.4 Å²	119.4	59%	0.588	67%	0.666	S	S	*	*			trans	-51.5	141.1	160.9	0	0	0	0	0	110.2	D701	D701-G703 PolarHBondContact O-N 3.22Å
704	I	23.6	Very low	34.5	Very low	153 Å²	153	119.2 Å²	119.2	79%	0.785	67%	0.666	S	S	*	*			trans	77.9	77.7	-176.6	-41.5	165.9	0	0	0	112.4	E706	I704-E706 HydrophobicContact CG2-CG 4.14Å; I704-E706 PolarHBondContact O-N 3.21Å; I704-E706 VanDerWaalsContact O-N 3.11Å
705	T	23.6	Very low	33.7	Very low	118 Å²	118	123.3 Å²	123.3	72%	0.724	69%	0.69	S	S	*	*			trans	-65.9	100	139	44.4	0	0	0	0	105.9	I707	T705-I707 PolarHBondContact O-N 2.86Å; T705-I707 VanDerWaalsContact O-N 3.08Å
706	E	22.7	Very low	33.2	Very low	165 Å²	165	125.1 Å²	125.1	77%	0.771	69%	0.692	S	S	*	*			trans	-44.2	122.6	157.9	-80.1	179.8	151.9	0	0	106.3	I704 R708	I704-E706 HydrophobicContact CG2-CG 4.14Å; I704-E706 PolarHBondContact O-N 3.21Å; I704-E706 VanDerWaalsContact O-N 3.11Å; E706-R708 VanDerWaalsContact C-N 3.27Å; E706-R708 PolarHBondContact O-N 3.43Å
707	I	26.6	Very low	32.4	Very low	160 Å²	160	124.1 Å²	124.1	82%	0.821	69%	0.689	S	S	*	*			trans	-47.9	103.6	167.7	-66.2	165.9	0	0	0	104.9	T705 S709	T705-I707 PolarHBondContact O-N 2.86Å; T705-I707 VanDerWaalsContact O-N 3.08Å; I707-S709 PolarHBondContact O-N 3.2Å
708	R	23.4	Very low	31.2	Very low	238 Å²	238	127.9 Å²	127.9	90%	0.898	71%	0.713	S	S	*	*			trans	-59.5	100.6	159.9	-79	-175.6	176.9	-177.6	-0.1	103.9	E706 A710	E706-R708 VanDerWaalsContact C-N 3.27Å; E706-R708 PolarHBondContact O-N 3.43Å; R708-A710 VanDerWaalsContact C-N 3.27Å; R708-A710 PolarHBondContact O-N 2.76Å
709	S	23.3	Very low	29.6	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	73%	0.728	S	S	*	*			trans	-49.6	98.7	156.3	37.4	0	0	0	0	107.6	I707	I707-S709 PolarHBondContact O-N 3.2Å
710	A	23.3	Very low	28.7	Very low	86 Å²	86	138.3 Å²	138.3	71%	0.711	78%	0.78	S	S	*	*			trans	-88	141.5	143.7	0	0	0	0	0	106	R708	R708-A710 VanDerWaalsContact C-N 3.27Å; R708-A710 PolarHBondContact O-N 2.76Å
711	P	35.8	Very low	27.3	Very low	201 Å²	201	143 Å²	143	100%	1.305	81%	0.809	S	S	*	*			trans	-68.2	0	-151.1	29.4	-35.8	0	0	0	115

Retrieved 711 of 711 residues in 441.9 ms (Link to these results)

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