A0A077ZH64_TRITR Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A077ZH64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 595 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	38.2	Very low	43.4	Very low	231 Å²	231	145 Å²	145	100%	1.138	76%	0.757	S	S	*	*				0	99.4	0	-82	179.3	170.9	0	0	107.8	R3	M1-R3 PolarHBondContact O-N 3.4Å
2	L	36.5	Very low	44.3	Very low	172 Å²	172	143.3 Å²	143.3	90%	0.901	75%	0.747	S	S	*	*			trans	-63.6	118	167.5	-76.7	135.4	0	0	0	107.3
3	R	37.1	Very low	45.1	Very low	221 Å²	221	139.1 Å²	139.1	83%	0.834	73%	0.725	S	S	*	*			trans	-107.9	104.2	169.1	-85.5	-173.1	173.5	-176	-1.5	107.3	M1 V5	M1-R3 PolarHBondContact O-N 3.4Å; R3-V5 PolarHBondContact O-N 2.8Å; R3-V5 VanDerWaalsContact O-N 3.16Å
4	D	39.2	Very low	45.6	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	71%	0.714	S	S	*	*			trans	-56.2	110	167.8	-64	-50.4	0	0	0	109.4	V6	D4-V6 PolarHBondContact O-N 3.22Å
5	V	44.5	Very low	46.2	Very low	121 Å²	121	133.9 Å²	133.9	73%	0.733	71%	0.706	S	S	*	*			trans	-84.1	90.4	168.7	-178.7	0	0	0	0	106.7	R3 I7	R3-V5 PolarHBondContact O-N 2.8Å; R3-V5 VanDerWaalsContact O-N 3.16Å; V5-I7 VanDerWaalsContact C-N 3.33Å; V5-I7 HydrophobicContact CG1-CG1 3.91Å; V5-I7 PolarHBondContact O-N 3.29Å
6	V	42.2	Very low	46.7	Very low	121 Å²	121	130.1 Å²	130.1	73%	0.733	69%	0.69	S	S	*	*			trans	-66.5	94.7	165.7	178.8	0	0	0	0	107.2	D4 Q8	D4-V6 PolarHBondContact O-N 3.22Å; V6-Q8 PolarHBondContact O-N 2.83Å; V6-Q8 VanDerWaalsContact O-N 3.09Å
7	I	43.4	Very low	47	Very low	144 Å²	144	128.5 Å²	128.5	74%	0.738	68%	0.681	S	S	*	*			trans	-71.3	103.7	169.8	-60.4	179.3	0	0	0	106.7	V5	V5-I7 VanDerWaalsContact C-N 3.33Å; V5-I7 HydrophobicContact CG1-CG1 3.91Å; V5-I7 PolarHBondContact O-N 3.29Å
8	Q	42.8	Very low	47.1	Very low	144 Å²	144	126.8 Å²	126.8	67%	0.673	68%	0.68	S	S	*	*			trans	-55	146.3	178.4	-85.5	174.3	-37.1	0	0	112.6	V6 M10	V6-Q8 PolarHBondContact O-N 2.83Å; V6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-M10 PolarHBondContact O-N 3Å
9	P	51	Low	47.3	Very low	94 Å²	94	126.8 Å²	126.8	61%	0.61	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	7.9	-176.7	27.7	-33.3	0	0	0	115.3	A11 I13	P9-A11 PolarHBondContact O-N 3.39Å; P9-I13 WeakPolarHBondContact O-CG1 3.3Å
10	M	50.7	Low	47.4	Very low	143 Å²	143	126.8 Å²	126.8	70%	0.704	68%	0.678	S	S	*	*	H	α-helix	trans	-70.1	-28.3	178.8	-86.9	-169.5	170.7	0	0	113.7	Q8 I12 I13 C14	Q8-M10 PolarHBondContact O-N 3Å; M10-I12 VanDerWaalsContact C-N 3.35Å; M10-I12 PolarHBondContact O-N 2.95Å; M10-I13 PolarHBondContact O-N 2.8Å; M10-C14 PolarHBondContact O-N 3.24Å
11	A	52.3	Low	47.3	Very low	60 Å²	60	125.9 Å²	125.9	50%	0.496	68%	0.681	S	S	.	*	H	α-helix	trans	-69.7	-32.4	-179.5	0	0	0	0	0	112.8	P9 I15	P9-A11 PolarHBondContact O-N 3.39Å; A11-I15 PolarHBondContact O-N 3.49Å
12	I	53.5	Low	47.6	Very low	124 Å²	124	120.5 Å²	120.5	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-74.3	-32.8	178.3	-62.4	172.7	0	0	0	110.6	M10 I15 T16	M10-I12 VanDerWaalsContact C-N 3.35Å; M10-I12 PolarHBondContact O-N 2.95Å; I12-I15 PolarHBondContact O-N 2.86Å; I12-T16 PolarHBondContact O-N 3.05Å; I12-T16 VanDerWaalsContact O-N 3.14Å; I12-T16 PolarHBondContact O-OG1 2.81Å
13	I	54.4	Low	48.2	Very low	89 Å²	89	118.2 Å²	118.2	46%	0.456	65%	0.649	S	S	.	*	H	α-helix	trans	-68.9	-38.4	177.6	-64.9	171.9	0	0	0	110.8	P9 M10 T16 L17	P9-I13 WeakPolarHBondContact O-CG1 3.3Å; M10-I13 PolarHBondContact O-N 2.8Å; I13-T16 WeakPolarHBondContact CA-OG1 3.32Å; I13-T16 PolarHBondContact O-N 3.33Å; I13-T16 PolarHBondContact O-OG1 2.84Å; I13-T16 VanDerWaalsContact O-OG1 3.14Å; I13-L17 HydrophobicContact CG2-CD1 3.48Å; I13-L17 VanDerWaalsContact CG2-CD1 3.48Å; I13-L17 WeakPolarHBondContact O-CB 3.3Å; I13-L17 WeakPolarHBondContact O-CD1 3.43Å; I13-L17 PolarHBondContact O-N 2.73Å
14	C	53	Low	48.6	Very low	85 Å²	85	116.7 Å²	116.7	57%	0.574	65%	0.648	S	S	*	*	H	α-helix	trans	-68.7	-34.6	176.5	-80.2	0	0	0	0	113.8	M10 C18	M10-C14 PolarHBondContact O-N 3.24Å; C14-C18 WeakPolarHBondContact O-CB 3.31Å; C14-C18 PolarHBondContact O-N 2.75Å
15	I	54.4	Low	48.8	Very low	115 Å²	115	118.7 Å²	118.7	59%	0.59	65%	0.65	S	S	*	*	H	α-helix	trans	-73.2	-35.8	177.3	-63	172.5	0	0	0	110.7	A11 I12 L19	A11-I15 PolarHBondContact O-N 3.49Å; I12-I15 PolarHBondContact O-N 2.86Å; I15-L19 HydrophobicContact CG2-CD1 4.1Å; I15-L19 VanDerWaalsContact O-CD1 3.22Å; I15-L19 WeakPolarHBondContact O-CD1 3.4Å; I15-L19 PolarHBondContact O-N 3.49Å
16	T	54.4	Low	48.9	Very low	73 Å²	73	120.5 Å²	120.5	45%	0.448	65%	0.654	S	S	.	*	H	α-helix	trans	-72.1	-37.4	174.7	35.9	0	0	0	0	112.8	I12 I13 L19 L20	I12-T16 PolarHBondContact O-N 3.05Å; I12-T16 VanDerWaalsContact O-N 3.14Å; I12-T16 PolarHBondContact O-OG1 2.81Å; I13-T16 WeakPolarHBondContact CA-OG1 3.32Å; I13-T16 PolarHBondContact O-N 3.33Å; I13-T16 PolarHBondContact O-OG1 2.84Å; I13-T16 VanDerWaalsContact O-OG1 3.14Å; T16-L19 PolarHBondContact O-N 3.49Å; T16-L20 WeakPolarHBondContact O-CD1 3.29Å; T16-L20 WeakPolarHBondContact O-CG 3.46Å; T16-L20 PolarHBondContact O-N 3.25Å
17	L	50.8	Low	49.5	Very low	103 Å²	103	119.3 Å²	119.3	54%	0.539	66%	0.657	S	S	.	*	H	α-helix	trans	-70.9	-31.8	174.1	-91	137.7	0	0	0	113.4	I13 L20 C21	I13-L17 HydrophobicContact CG2-CD1 3.48Å; I13-L17 VanDerWaalsContact CG2-CD1 3.48Å; I13-L17 WeakPolarHBondContact O-CB 3.3Å; I13-L17 WeakPolarHBondContact O-CD1 3.43Å; I13-L17 PolarHBondContact O-N 2.73Å; L17-L20 PolarHBondContact O-N 2.93Å; L17-C21 PolarHBondContact O-N 2.78Å
18	C	50.1	Low	50.4	Low	99 Å²	99	116.5 Å²	116.5	67%	0.669	66%	0.656	S	S	*	*	H	α-helix	trans	-70.5	-28.2	171.2	-89.2	0	0	0	0	113.3	C14	C14-C18 WeakPolarHBondContact O-CB 3.31Å; C14-C18 PolarHBondContact O-N 2.75Å
19	L	51	Low	52	Low	126 Å²	126	111.6 Å²	111.6	66%	0.66	64%	0.64	S	S	*	*	H	α-helix	trans	-78.3	-24.1	170.9	-94.8	98.6	0	0	0	113.4	I15 T16	I15-L19 HydrophobicContact CG2-CD1 4.1Å; I15-L19 VanDerWaalsContact O-CD1 3.22Å; I15-L19 WeakPolarHBondContact O-CD1 3.4Å; I15-L19 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 3.49Å
20	L	47.8	Very low	53.7	Low	126 Å²	126	111.1 Å²	111.1	66%	0.66	64%	0.635	S	S	*	*	H	α-helix	trans	-84	-17.4	179.9	-80.5	156.1	0	0	0	113.9	T16 L17	T16-L20 WeakPolarHBondContact O-CD1 3.29Å; T16-L20 WeakPolarHBondContact O-CG 3.46Å; T16-L20 PolarHBondContact O-N 3.25Å; L17-L20 PolarHBondContact O-N 2.93Å
21	C	45.2	Very low	55.7	Low	109 Å²	109	109.5 Å²	109.5	74%	0.736	64%	0.636	S	S	*	*	S	Bend	trans	-94.1	2.6	-176.4	-104.7	0	0	0	0	116.1	L17	L17-C21 PolarHBondContact O-N 2.78Å
22	T	45	Very low	57.8	Low	118 Å²	118	107.2 Å²	107.2	72%	0.724	62%	0.615	S	S	*	*			trans	-129	17.1	176.8	47	0	0	0	0	114.9	K24	T22-K24 PolarHBondContact O-N 2.93Å
23	I	49.1	Very low	59.9	Low	124 Å²	124	106.9 Å²	106.9	64%	0.636	61%	0.611	S	S	*	*			trans	-79.4	72.6	153.4	-47.1	177.4	0	0	0	106.6	K25	I23-K25 HydrophobicContact CG2-CG 4.22Å; I23-K25 PolarHBondContact O-N 3.05Å
24	K	45.9	Very low	62	Low	189 Å²	189	103.7 Å²	103.7	82%	0.822	60%	0.596	S	S	*	*			trans	-54.2	97.3	145.2	-78.8	-174.6	179.2	-179	0	103.3	T22 L26	T22-K24 PolarHBondContact O-N 2.93Å; K24-L26 PolarHBondContact O-N 3.12Å
25	K	43.4	Very low	64.1	Low	185 Å²	185	104.3 Å²	104.3	80%	0.804	60%	0.597	S	S	*	*			trans	-51.6	104.5	162.6	-77.1	-177.1	175.8	-179.3	0	103.1	I23 A27	I23-K25 HydrophobicContact CG2-CG 4.22Å; I23-K25 PolarHBondContact O-N 3.05Å; K25-A27 VanDerWaalsContact C-N 3.34Å; K25-A27 PolarHBondContact O-N 3.24Å
26	L	47.4	Very low	66.1	Low	159 Å²	159	99.4 Å²	99.4	83%	0.832	57%	0.572	S	S	*	*			trans	-44.4	117.4	154.8	-97.8	79.5	0	0	0	102.7	K24 A28	K24-L26 PolarHBondContact O-N 3.12Å; L26-A28 PolarHBondContact O-N 3.07Å
27	A	54.5	Low	68.1	Low	96 Å²	96	103 Å²	103	79%	0.793	58%	0.584	S	S	*	*			trans	-53.7	103.8	176.7	0	0	0	0	0	105.1	K25 A29	K25-A27 VanDerWaalsContact C-N 3.34Å; K25-A27 PolarHBondContact O-N 3.24Å; A27-A29 PolarHBondContact O-N 3.34Å; A27-A29 VanDerWaalsContact O-N 3.14Å
28	A	61.4	Low	70.3	Confident	86 Å²	86	98.8 Å²	98.8	71%	0.711	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.7	-175	0	0	0	0	0	105.5	L26 T30	L26-A28 PolarHBondContact O-N 3.07Å; A28-T30 PolarHBondContact O-N 3.05Å
29	A	75.7	Confident	72.6	Confident	40 Å²	40	94.8 Å²	94.8	33%	0.331	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-52.2	133.7	-178.1	0	0	0	0	0	109.1	A27 P31 K44 E46	A27-A29 PolarHBondContact O-N 3.34Å; A27-A29 VanDerWaalsContact O-N 3.14Å; A29-P31 WeakPolarHBondContact O-CD 3.43Å; A29-K44 HydrophobicContact CB-CB 3.86Å; A29-K44 HydrophobicContact CB-CD 4.22Å; A29-K44 HydrophobicContact CB-CG 4.48Å; A29-E46 HydrophobicContact CB-CG 3.72Å
30	T	88.6	Confident	74.9	Confident	85 Å²	85	90.3 Å²	90.3	52%	0.521	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126	-175	-58.5	0	0	0	0	108.6	A28 V32 L45	A28-T30 PolarHBondContact O-N 3.05Å; T30-V32 PolarHBondContact O-N 3.41Å; T30-L45 PolarHBondContact N-O 3.07Å; T30-L45 VanDerWaalsContact N-O 3.08Å; T30-L45 WeakPolarHBondContact O-CB 3.23Å; T30-L45 PolarHBondContact O-N 3.35Å
31	P	92.7	Very high	77.3	Confident	109 Å²	109	84.3 Å²	84.3	71%	0.708	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	139.8	176.1	-24.1	34.1	0	0	0	111.3	A29	A29-P31 WeakPolarHBondContact O-CD 3.43Å
32	V	96.4	Very high	79.8	Confident	11 Å²	11	81.7 Å²	81.7	7%	0.067	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139	176.3	60.4	0	0	0	0	109.9	T30 K42 G43 A54 F56 W129	T30-V32 PolarHBondContact O-N 3.41Å; V32-K42 CarbonylContact O-C 3.52Å; V32-K42 WeakPolarHBondContact O-CA 3.47Å; V32-G43 PolarHBondContact N-O 3.03Å; V32-G43 VanDerWaalsContact N-O 3.12Å; V32-G43 PolarHBondContact O-N 2.62Å; V32-A54 HydrophobicContact CG1-CB 4.04Å; V32-F56 HydrophobicContact CG1-CE1 4.44Å; V32-F56 HydrophobicContact CG1-CZ 4.07Å; V32-W129 HydrophobicContact CG2-CE3 4.38Å; V32-W129 HydrophobicContact CG2-CH2 3.49Å; V32-W129 VanDerWaalsContact CG2-CH2 3.49Å; V32-W129 HydrophobicContact CG2-CZ3 3.36Å
33	E	97.1	Very high	82.3	Confident	118 Å²	118	76.3 Å²	76.3	55%	0.551	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.5	-178.6	-51.3	-162.4	155.4	0	0	111.2	V40 L41 K42	E33-V40 HydrophobicContact CB-CG1 4.13Å; E33-L41 CarbonylContact C-O 3.59Å; E33-L41 VanDerWaalsContact CA-O 3.31Å; E33-L41 WeakPolarHBondContact CA-O 3.49Å; E33-K42 HydrophobicContact CG-CG 3.98Å; E33-K42 WeakPolarHBondContact OE1-CE 3.43Å
34	V	97.7	Very high	84.6	Confident	22 Å²	22	72.8 Å²	72.8	13%	0.133	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.4	170.8	173.4	0	0	0	0	108.5	T36 V40 L41 F56 Y210 F211	V34-T36 HydrophobicContact CG1-CG2 4.21Å; V34-V40 WeakPolarHBondContact O-CA 3.47Å; V34-L41 PolarHBondContact N-O 3.45Å; V34-L41 PolarHBondContact O-N 3.46Å; V34-F56 HydrophobicContact CB-CE1 4.24Å; V34-F56 HydrophobicContact CB-CZ 4.18Å; V34-F56 HydrophobicContact CG2-CE1 4.02Å; V34-F56 HydrophobicContact CG2-CE2 4.32Å; V34-F56 HydrophobicContact CG2-CZ 3.48Å; V34-F56 VanDerWaalsContact CG2-CZ 3.48Å; V34-Y210 WeakPolarHBondContact CG1-O 3.49Å; V34-F211 HydrophobicContact CB-CD1 4.12Å; V34-F211 HydrophobicContact CB-CE1 3.72Å; V34-F211 HydrophobicContact CB-CZ 4.36Å; V34-F211 HydrophobicContact CG1-CD1 3.87Å; V34-F211 HydrophobicContact CG1-CE1 3.62Å; V34-F211 HydrophobicContact CG1-CE2 4.42Å; V34-F211 HydrophobicContact CG1-CG 4.37Å; V34-F211 HydrophobicContact CG1-CZ 3.92Å; V34-F211 HydrophobicContact CG2-CD1 3.96Å; V34-F211 HydrophobicContact CG2-CE1 4.01Å
35	T	97.7	Very high	87.1	Confident	97 Å²	97	64.8 Å²	64.8	60%	0.595	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	175.6	-58.4	0	0	0	0	109.4	V40	T35-V40 HydrophobicContact CG2-CG2 4.37Å
36	T	97.1	Very high	89.6	Confident	12 Å²	12	57.8 Å²	57.8	7%	0.074	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	176.6	175.3	71.6	0	0	0	0	110.1	V34 L38 G39 L41 Y210 F211	V34-T36 HydrophobicContact CG1-CG2 4.21Å; T36-L38 PolarHBondContact O-N 2.84Å; T36-L38 PolarHBondContact OG1-N 2.76Å; T36-L38 VanDerWaalsContact OG1-N 3.12Å; T36-G39 PolarHBondContact N-O 3.2Å; T36-G39 PolarHBondContact O-N 2.78Å; T36-G39 PolarHBondContact OG1-N 3.07Å; T36-G39 PolarHBondContact OG1-O 3.12Å; T36-L41 HydrophobicContact CG2-CD1 4.38Å; T36-Y210 HydrophobicContact CG2-CD2 4.01Å; T36-Y210 HydrophobicContact CG2-CG 4.08Å; T36-F211 HydrophobicContact CG2-CE2 3.89Å; T36-F211 HydrophobicContact CG2-CZ 3.89Å
37	Q	95.4	Very high	91.9	Very high	148 Å²	148	54.1 Å²	54.1	69%	0.692	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-24.3	169.7	-77.2	176.4	18.3	0	0	113.3	G39 Y210	Q37-G39 VanDerWaalsContact C-N 3.34Å; Q37-Y210 VanDerWaalsContact CG-OH 3.31Å; Q37-Y210 WeakPolarHBondContact CG-OH 3.34Å; Q37-Y210 PolarHBondContact NE2-OH 3.36Å
38	L	97.5	Very high	93.8	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.084	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.8	177.5	-62.3	172.2	0	0	0	112.3	T36 V77 P79 W80	T36-L38 PolarHBondContact O-N 2.84Å; T36-L38 PolarHBondContact OG1-N 2.76Å; T36-L38 VanDerWaalsContact OG1-N 3.12Å; L38-V77 HydrophobicContact CD1-CG1 3.71Å; L38-V77 HydrophobicContact CD2-CG1 4.16Å; L38-P79 HydrophobicContact CD2-CG 4.19Å; L38-P79 CarbonylContact O-C 3.57Å; L38-P79 WeakPolarHBondContact O-CA 3.48Å; L38-W80 HydrophobicContact CB-CE3 4.2Å; L38-W80 HydrophobicContact CB-CH2 3.59Å; L38-W80 HydrophobicContact CB-CZ2 4.02Å; L38-W80 HydrophobicContact CB-CZ3 3.68Å; L38-W80 HydrophobicContact CD1-CH2 4.06Å; L38-W80 HydrophobicContact CD1-CZ3 4.15Å; L38-W80 HydrophobicContact CG-CH2 4.47Å; L38-W80 HydrophobicContact CG-CZ3 4.45Å; L38-W80 PolarHBondContact O-N 3.06Å
39	G	98	Very high	94.9	Very high	14 Å²	14	49.8 Å²	49.8	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-172.2	-175.5	0	0	0	0	0	112	T36 Q37	T36-G39 PolarHBondContact N-O 3.2Å; T36-G39 PolarHBondContact O-N 2.78Å; T36-G39 PolarHBondContact OG1-N 3.07Å; T36-G39 PolarHBondContact OG1-O 3.12Å; Q37-G39 VanDerWaalsContact C-N 3.34Å
40	V	98.4	Very high	95.5	Very high	33 Å²	33	51.4 Å²	51.4	20%	0.2	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.3	179.5	-177.6	0	0	0	0	109.9	E33 V34 T35 W80 P83 F84	E33-V40 HydrophobicContact CB-CG1 4.13Å; V34-V40 WeakPolarHBondContact O-CA 3.47Å; T35-V40 HydrophobicContact CG2-CG2 4.37Å; V40-W80 PolarHBondContact O-NE1 2.96Å; V40-W80 VanDerWaalsContact O-NE1 3.08Å; V40-P83 HydrophobicContact CB-CB 4.08Å; V40-P83 HydrophobicContact CB-CG 4.26Å; V40-P83 HydrophobicContact CG1-CB 4.17Å; V40-P83 WeakPolarHBondContact O-CA 3.35Å; V40-F84 PolarHBondContact O-N 3.28Å
41	L	98.3	Very high	95.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.7	169.3	-75	160.8	0	0	0	109.5	E33 V34 T36 F56 V59 W80 F84 A86 F211	E33-L41 CarbonylContact C-O 3.59Å; E33-L41 VanDerWaalsContact CA-O 3.31Å; E33-L41 WeakPolarHBondContact CA-O 3.49Å; V34-L41 PolarHBondContact N-O 3.45Å; V34-L41 PolarHBondContact O-N 3.46Å; T36-L41 HydrophobicContact CG2-CD1 4.38Å; L41-F56 HydrophobicContact CB-CD1 4.08Å; L41-F56 HydrophobicContact CB-CE1 4.33Å; L41-V59 HydrophobicContact CD1-CG1 3.85Å; L41-V59 HydrophobicContact CD1-CG2 4.47Å; L41-V59 HydrophobicContact CD2-CG1 4.01Å; L41-V59 HydrophobicContact CD2-CG2 4.2Å; L41-W80 HydrophobicContact CD1-CZ2 4.27Å; L41-W80 HydrophobicContact CD2-CH2 4.33Å; L41-W80 HydrophobicContact CD2-CZ2 3.77Å; L41-W80 HydrophobicContact CG-CZ2 3.82Å; L41-F84 HydrophobicContact CD2-CB 3.99Å; L41-F84 HydrophobicContact CD2-CD1 3.69Å; L41-F84 HydrophobicContact CD2-CG 4.18Å; L41-A86 HydrophobicContact CD2-CB 4.03Å; L41-F211 HydrophobicContact CD1-CE1 4.36Å; L41-F211 HydrophobicContact CD1-CZ 3.65Å
42	K	98.3	Very high	96	Very high	54 Å²	54	49 Å²	49	24%	0.235	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.5	176.7	-68.4	174	167	-174.6	0	109.7	V32 E33 P83 F84 E85 A86	V32-K42 CarbonylContact O-C 3.52Å; V32-K42 WeakPolarHBondContact O-CA 3.47Å; E33-K42 HydrophobicContact CG-CG 3.98Å; E33-K42 WeakPolarHBondContact OE1-CE 3.43Å; K42-P83 HydrophobicContact CD-CB 3.82Å; K42-P83 VanDerWaalsContact CE-CB 3.44Å; K42-P83 HydrophobicContact CG-CB 4.16Å; K42-F84 PolarHBondContact N-O 3.25Å; K42-E85 VanDerWaalsContact CD-CD 3.44Å; K42-E85 WeakPolarHBondContact CD-OE1 3.43Å; K42-E85 WeakPolarHBondContact CD-OE2 3.47Å; K42-E85 IonicContact NZ-OE1 2.81Å; K42-E85 PolarHBondContact NZ-OE1 2.93Å; K42-A86 CarbonylContact O-C 3.53Å; K42-A86 WeakPolarHBondContact O-CA 3.36Å; K42-A86 PolarHBondContact O-N 2.99Å
43	G	98.3	Very high	96.1	Very high	4 Å²	4	48.4 Å²	48.4	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-165.9	174.9	0	0	0	0	0	111.9	V32 S55	V32-G43 PolarHBondContact N-O 3.03Å; V32-G43 VanDerWaalsContact N-O 3.12Å; V32-G43 PolarHBondContact O-N 2.62Å; G43-S55 CarbonylContact C-O 3.58Å; G43-S55 WeakPolarHBondContact CA-O 3.4Å
44	K	97.7	Very high	96.1	Very high	50 Å²	50	42.9 Å²	42.9	22%	0.217	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.6	175.3	62	174.3	179.3	151.3	0	111.2	A29 E46 A54 S55 T87	A29-K44 HydrophobicContact CB-CB 3.86Å; A29-K44 HydrophobicContact CB-CD 4.22Å; A29-K44 HydrophobicContact CB-CG 4.48Å; K44-E46 HydrophobicContact CD-CG 4.38Å; K44-E46 WeakPolarHBondContact CE-OE2 3.42Å; K44-E46 HydrophobicContact CG-CG 4.47Å; K44-E46 VanDerWaalsContact NZ-CD 3.27Å; K44-E46 IonicContact NZ-OE1 2.74Å; K44-E46 PolarHBondContact NZ-OE1 3.28Å; K44-E46 IonicContact NZ-OE2 3.6Å; K44-E46 PolarHBondContact NZ-OE2 2.75Å; K44-A54 CarbonylContact O-C 3.46Å; K44-A54 WeakPolarHBondContact O-CA 3.22Å; K44-S55 PolarHBondContact N-O 3.35Å; K44-S55 PolarHBondContact O-N 2.91Å; K44-T87 HydrophobicContact CB-CG2 4.39Å
45	L	97.4	Very high	96.2	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.5	176.5	-172.3	72.4	0	0	0	109.8	T30 Q52 A54 W129	T30-L45 PolarHBondContact N-O 3.07Å; T30-L45 VanDerWaalsContact N-O 3.08Å; T30-L45 WeakPolarHBondContact O-CB 3.23Å; T30-L45 PolarHBondContact O-N 3.35Å; L45-Q52 HydrophobicContact CD1-CB 4.21Å; L45-A54 HydrophobicContact CD1-CB 4.07Å; L45-W129 HydrophobicContact CD1-CB 3.9Å; L45-W129 HydrophobicContact CD1-CD2 3.84Å; L45-W129 HydrophobicContact CD1-CE3 3.92Å; L45-W129 HydrophobicContact CD1-CG 3.86Å
46	E	95.4	Very high	96.2	Very high	39 Å²	39	37.3 Å²	37.3	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152	-175.3	-64.5	171.5	117.6	0	0	110.4	A29 K44 Q52 V53 S55 R158	A29-E46 HydrophobicContact CB-CG 3.72Å; K44-E46 HydrophobicContact CD-CG 4.38Å; K44-E46 WeakPolarHBondContact CE-OE2 3.42Å; K44-E46 HydrophobicContact CG-CG 4.47Å; K44-E46 VanDerWaalsContact NZ-CD 3.27Å; K44-E46 IonicContact NZ-OE1 2.74Å; K44-E46 PolarHBondContact NZ-OE1 3.28Å; K44-E46 IonicContact NZ-OE2 3.6Å; K44-E46 PolarHBondContact NZ-OE2 2.75Å; E46-Q52 CarbonylContact O-C 3.57Å; E46-Q52 WeakPolarHBondContact O-CA 3.28Å; E46-V53 PolarHBondContact N-O 3.49Å; E46-V53 PolarHBondContact O-N 2.78Å; E46-S55 PolarHBondContact OE2-OG 3.25Å; E46-R158 IonicContact OE1-NH1 2.75Å
47	S	95.2	Very high	96.3	Very high	82 Å²	82	37.3 Å²	37.3	57%	0.573	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.4	171.7	-170	0	0	0	0	109.2	Q52	S47-Q52 VanDerWaalsContact CA-OE1 3.3Å; S47-Q52 PolarHBondContact OG-OE1 3.27Å
48	V	94.4	Very high	96.5	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.3	-179.3	-177.3	0	0	0	0	107.4	G50 R51 V53 R158 A162 L480	V48-G50 PolarHBondContact O-N 3.49Å; V48-R51 PolarHBondContact N-O 2.81Å; V48-R51 PolarHBondContact O-N 3.01Å; V48-V53 HydrophobicContact CB-CG2 4.18Å; V48-V53 HydrophobicContact CG2-CB 4.22Å; V48-V53 HydrophobicContact CG2-CG2 4.18Å; V48-R158 HydrophobicContact CG1-CB 4.01Å; V48-R158 HydrophobicContact CG2-CB 3.9Å; V48-R158 HydrophobicContact CG2-CG 4.17Å; V48-A162 HydrophobicContact CB-CB 4.13Å; V48-A162 HydrophobicContact CG1-CB 4.04Å; V48-L480 HydrophobicContact CG1-CD2 3.9Å
49	A	84.5	Confident	96.5	Very high	80 Å²	80	29.8 Å²	29.8	66%	0.661	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	34	-177.1	0	0	0	0	0	114.2	R51	A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 3.34Å
50	G	88.4	Confident	96.5	Very high	73 Å²	73	29.6 Å²	29.6	75%	0.753	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-3.5	-178.3	0	0	0	0	0	115.4	V48	V48-G50 PolarHBondContact O-N 3.49Å
51	R	95.4	Very high	96.5	Very high	72 Å²	72	28 Å²	28	27%	0.272	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.4	173.1	-173	68.1	175.2	102.9	-1.9	110.2	V48 A49 V53 W129 A162 D165	V48-R51 PolarHBondContact N-O 2.81Å; V48-R51 PolarHBondContact O-N 3.01Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 3.34Å; R51-V53 PolarHBondContact O-N 3.12Å; R51-W129 VanDerWaalsContact CZ-O 3.31Å; R51-W129 PolarHBondContact NH1-O 3.25Å; R51-W129 PolarHBondContact NH2-O 2.99Å; R51-A162 HydrophobicContact CB-CB 3.88Å; R51-A162 HydrophobicContact CG-CB 4.25Å; R51-D165 IonicContact CZ-OD1 3.73Å; R51-D165 IonicContact NE-OD1 3.69Å; R51-D165 PolarHBondContact NE-OD1 3.16Å; R51-D165 IonicContact NH2-OD1 3.77Å; R51-D165 PolarHBondContact NH2-OD1 3.33Å
52	Q	97.4	Very high	96.6	Very high	71 Å²	71	28.4 Å²	28.4	33%	0.332	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.4	170.1	-67.5	-64.3	100.9	0	0	110	L45 E46 S47 W129	L45-Q52 HydrophobicContact CD1-CB 4.21Å; E46-Q52 CarbonylContact O-C 3.57Å; E46-Q52 WeakPolarHBondContact O-CA 3.28Å; S47-Q52 VanDerWaalsContact CA-OE1 3.3Å; S47-Q52 PolarHBondContact OG-OE1 3.27Å; Q52-W129 HydrophobicContact CB-CB 3.7Å; Q52-W129 HydrophobicContact CB-CG 4.38Å; Q52-W129 WeakPolarHBondContact O-CB 3.45Å; Q52-W129 PolarHBondContact O-N 3.33Å
53	V	98.3	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.8	178.2	179.7	0	0	0	0	109.1	E46 V48 R51 W126 V127 A161 A162	E46-V53 PolarHBondContact N-O 3.49Å; E46-V53 PolarHBondContact O-N 2.78Å; V48-V53 HydrophobicContact CB-CG2 4.18Å; V48-V53 HydrophobicContact CG2-CB 4.22Å; V48-V53 HydrophobicContact CG2-CG2 4.18Å; R51-V53 PolarHBondContact O-N 3.12Å; V53-W126 HydrophobicContact CG1-CB 3.94Å; V53-V127 CarbonylContact C-O 3.45Å; V53-V127 WeakPolarHBondContact CA-O 3.19Å; V53-A161 HydrophobicContact CG1-CB 4.47Å; V53-A162 HydrophobicContact CG2-CB 3.85Å
54	A	98.3	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118	171	0	0	0	0	0	109.6	V32 K44 L45 F56 V127 W129	V32-A54 HydrophobicContact CG1-CB 4.04Å; K44-A54 CarbonylContact O-C 3.46Å; K44-A54 WeakPolarHBondContact O-CA 3.22Å; L45-A54 HydrophobicContact CD1-CB 4.07Å; A54-F56 HydrophobicContact CB-CE2 3.85Å; A54-F56 HydrophobicContact CB-CZ 4.43Å; A54-V127 HydrophobicContact CB-CB 4.38Å; A54-V127 PolarHBondContact N-O 2.93Å; A54-V127 PolarHBondContact O-N 2.83Å; A54-W129 HydrophobicContact CB-CE3 4.05Å; A54-W129 HydrophobicContact CB-CZ3 4.41Å
55	S	98.6	Very high	96.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.5	176.8	-54.6	0	0	0	0	109.8	G43 K44 E46 M125	G43-S55 CarbonylContact C-O 3.58Å; G43-S55 WeakPolarHBondContact CA-O 3.4Å; K44-S55 PolarHBondContact N-O 3.35Å; K44-S55 PolarHBondContact O-N 2.91Å; E46-S55 PolarHBondContact OE2-OG 3.25Å; S55-M125 WeakPolarHBondContact CA-O 3.46Å
56	F	98.7	Very high	96.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	102.6	169.7	-60.5	-90.1	0	0	0	107.8	V32 V34 L41 A54 V59 A86 M125 V127 F211	V32-F56 HydrophobicContact CG1-CE1 4.44Å; V32-F56 HydrophobicContact CG1-CZ 4.07Å; V34-F56 HydrophobicContact CB-CE1 4.24Å; V34-F56 HydrophobicContact CB-CZ 4.18Å; V34-F56 HydrophobicContact CG2-CE1 4.02Å; V34-F56 HydrophobicContact CG2-CE2 4.32Å; V34-F56 HydrophobicContact CG2-CZ 3.48Å; V34-F56 VanDerWaalsContact CG2-CZ 3.48Å; L41-F56 HydrophobicContact CB-CD1 4.08Å; L41-F56 HydrophobicContact CB-CE1 4.33Å; A54-F56 HydrophobicContact CB-CE2 3.85Å; A54-F56 HydrophobicContact CB-CZ 4.43Å; F56-V59 HydrophobicContact CB-CG2 3.87Å; F56-A86 HydrophobicContact CB-CB 4.36Å; F56-A86 HydrophobicContact CD1-CB 4.5Å; F56-M125 HydrophobicContact CB-CB 4.47Å; F56-M125 HydrophobicContact CB-CE 3.99Å; F56-M125 HydrophobicContact CD2-CE 3.84Å; F56-M125 HydrophobicContact CG-CE 4.08Å; F56-M125 PolarHBondContact N-O 2.79Å; F56-M125 PolarHBondContact O-N 2.97Å; F56-V127 HydrophobicContact CD2-CG2 4.22Å; F56-V127 HydrophobicContact CE2-CG2 4.26Å; F56-F211 HydrophobicContact CD1-CE1 4.12Å; F56-F211 HydrophobicContact CD2-CD1 4.03Å; F56-F211 HydrophobicContact CD2-CE1 4.01Å; F56-F211 HydrophobicContact CE1-CE1 4.08Å; F56-F211 AromaticContact CE2-CD1 3.79Å; F56-F211 HydrophobicContact CE2-CD1 3.79Å; F56-F211 AromaticContact CE2-CE1 3.97Å; F56-F211 HydrophobicContact CE2-CE1 3.97Å; F56-F211 HydrophobicContact CG-CE1 4.09Å; F56-F211 HydrophobicContact CZ-CD1 4.13Å; F56-F211 HydrophobicContact CZ-CE1 4.02Å
57	L	98.7	Very high	96.3	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.5	-170	-51.6	-178.9	0	0	0	110.1	V59 A86 T88 L89 N124 W126	L57-V59 PolarHBondContact O-N 2.88Å; L57-A86 PolarHBondContact N-O 3.49Å; L57-A86 CarbonylContact O-C 3.52Å; L57-A86 WeakPolarHBondContact O-CA 3.43Å; L57-A86 WeakPolarHBondContact O-CB 3.38Å; L57-T88 CarbonylContact C-O 3.52Å; L57-T88 VanDerWaalsContact CB-O 3.28Å; L57-T88 WeakPolarHBondContact CB-O 3.25Å; L57-L89 HydrophobicContact CD1-CD2 4.11Å; L57-L89 HydrophobicContact CD1-CG 4.33Å; L57-L89 HydrophobicContact CD2-CD2 4.12Å; L57-N124 HydrophobicContact CD2-CB 3.88Å; L57-W126 HydrophobicContact CD2-CZ2 4.1Å
58	G	98.4	Very high	96.3	Very high	6 Å²	6	32.8 Å²	32.8	6%	0.062	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.7	39.7	178.8	0	0	0	0	0	113.6	F84 T88 Y122 L123 N124	G58-F84 WeakPolarHBondContact O-CE1 3.14Å; G58-F84 WeakPolarHBondContact O-CZ 3.43Å; G58-T88 WeakPolarHBondContact CA-O 3.22Å; G58-T88 PolarHBondContact N-O 3.01Å; G58-T88 VanDerWaalsContact N-O 3.16Å; G58-Y122 WeakPolarHBondContact O-CD1 3.31Å; G58-L123 PolarHBondContact N-O 3.13Å; G58-N124 PolarHBondContact N-OD1 2.84Å
59	V	98.7	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.9	176.9	-178.3	0	0	0	0	109.2	L41 F56 L57 F61 A86 Y122 L123 W203	L41-V59 HydrophobicContact CD1-CG1 3.85Å; L41-V59 HydrophobicContact CD1-CG2 4.47Å; L41-V59 HydrophobicContact CD2-CG1 4.01Å; L41-V59 HydrophobicContact CD2-CG2 4.2Å; F56-V59 HydrophobicContact CB-CG2 3.87Å; L57-V59 PolarHBondContact O-N 2.88Å; V59-F61 PolarHBondContact O-N 3.27Å; V59-A86 HydrophobicContact CG2-CB 4.03Å; V59-Y122 CarbonylContact O-C 3.49Å; V59-Y122 VanDerWaalsContact O-CA 3.24Å; V59-Y122 WeakPolarHBondContact O-CA 3.31Å; V59-L123 HydrophobicContact CB-CD1 3.74Å; V59-L123 HydrophobicContact CB-CG 4.12Å; V59-L123 HydrophobicContact CG1-CD1 4.37Å; V59-L123 HydrophobicContact CG2-CD1 4.2Å; V59-L123 PolarHBondContact N-O 2.97Å; V59-L123 PolarHBondContact O-N 3.34Å; V59-W203 HydrophobicContact CG1-CH2 4.11Å; V59-W203 HydrophobicContact CG1-CZ2 3.69Å
60	P	98.5	Very high	97.1	Very high	10 Å²	10	32.8 Å²	32.8	7%	0.065	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.7	178.9	27.5	-33.3	0	0	0	110.4	V77 W80 F84 Y122	P60-V77 HydrophobicContact CB-CG2 3.97Å; P60-V77 HydrophobicContact CG-CG2 4.19Å; P60-W80 HydrophobicContact CG-CH2 4.39Å; P60-W80 HydrophobicContact CG-CZ3 4.02Å; P60-F84 HydrophobicContact CG-CE2 4.14Å; P60-F84 HydrophobicContact CG-CZ 4.25Å; P60-Y122 VanDerWaalsContact CA-CD1 3.49Å; P60-Y122 HydrophobicContact CB-CD1 3.8Å; P60-Y122 HydrophobicContact CB-CE1 3.6Å; P60-Y122 HydrophobicContact CG-CD1 4.5Å; P60-Y122 HydrophobicContact CG-CE1 4.23Å
61	F	98.7	Very high	97.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.			trans	-115.6	-20.5	171.4	71	-98.9	0	0	0	112.7	V59 V77 L121 Y122 L123 L171 N172 D196 L199 W203	V59-F61 PolarHBondContact O-N 3.27Å; F61-V77 PolarHBondContact O-N 2.71Å; F61-L121 WeakPolarHBondContact CD1-O 3.38Å; F61-L121 HydrophobicContact CD2-CB 4.42Å; F61-L121 HydrophobicContact CE1-CB 4.19Å; F61-L121 HydrophobicContact CE2-CB 3.92Å; F61-L121 HydrophobicContact CE2-CD1 4.45Å; F61-L121 HydrophobicContact CE2-CD2 4.33Å; F61-L121 HydrophobicContact CE2-CG 4.46Å; F61-L121 HydrophobicContact CZ-CB 3.79Å; F61-L121 HydrophobicContact CZ-CD2 4Å; F61-L121 HydrophobicContact CZ-CG 4.4Å; F61-L121 PolarHBondContact N-O 2.94Å; F61-Y122 VanDerWaalsContact CE1-N 3.35Å; F61-Y122 WeakPolarHBondContact CE1-O 3.46Å; F61-L123 HydrophobicContact CB-CD2 4.07Å; F61-L123 HydrophobicContact CD1-CB 4.12Å; F61-L123 HydrophobicContact CD1-CD2 4.12Å; F61-L123 HydrophobicContact CD1-CG 4.31Å; F61-L123 HydrophobicContact CG-CD2 4.44Å; F61-L171 HydrophobicContact CE1-CB 4.16Å; F61-N172 VanDerWaalsContact CZ-O 3.28Å; F61-N172 WeakPolarHBondContact CZ-O 3.49Å; F61-D196 WeakPolarHBondContact CE2-O 3.48Å; F61-L199 HydrophobicContact CD2-CB 4.5Å; F61-L199 HydrophobicContact CD2-CD2 4.2Å; F61-L199 HydrophobicContact CD2-CG 4.31Å; F61-L199 HydrophobicContact CE2-CB 4.44Å; F61-L199 HydrophobicContact CE2-CD2 4.41Å; F61-W203 HydrophobicContact CB-CB 3.84Å; F61-W203 HydrophobicContact CB-CD2 4.25Å; F61-W203 HydrophobicContact CB-CG 3.64Å
62	G	98.5	Very high	97.6	Very high	8 Å²	8	28.8 Å²	28.8	8%	0.082	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-120.7	159	175.3	0	0	0	0	0	114.1	R75 L121	G62-R75 CarbonylContact C-O 3.5Å; G62-R75 VanDerWaalsContact CA-O 3.25Å; G62-R75 WeakPolarHBondContact CA-O 3.23Å; G62-L121 PolarHBondContact N-O 2.94Å
63	E	98.5	Very high	97.6	Very high	44 Å²	44	27.8 Å²	27.8	21%	0.206	16%	0.158	C	C	.	.			trans	-68.2	159.6	166.5	-68.6	-163	-117.9	0	0	111.5	T65 R75 M76 K78	E63-T65 PolarHBondContact O-N 3.46Å; E63-R75 HydrophobicContact CB-CB 4.26Å; E63-R75 HydrophobicContact CG-CB 4.17Å; E63-R75 PolarHBondContact N-O 3.33Å; E63-M76 WeakPolarHBondContact CG-O 3.4Å; E63-K78 WeakPolarHBondContact OE1-CE 3.4Å; E63-K78 IonicContact OE1-NZ 3.75Å; E63-K78 PolarHBondContact OE1-NZ 2.82Å; E63-K78 WeakPolarHBondContact OE2-CE 3.34Å; E63-K78 IonicContact OE2-NZ 2.86Å; E63-K78 PolarHBondContact OE2-NZ 2.79Å
64	P	97.7	Very high	97.6	Very high	83 Å²	83	28.8 Å²	28.8	54%	0.539	16%	0.164	S	C	.	.			trans	-49.3	128.1	173.1	-31.2	38.3	0	0	0	113.3	N119	P64-N119 VanDerWaalsContact C-OD1 3.32Å; P64-N119 WeakPolarHBondContact CA-OD1 3.15Å; P64-N119 HydrophobicContact CB-CB 4.47Å; P64-N119 WeakPolarHBondContact CB-OD1 3.27Å
65	T	96.9	Very high	97.6	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.031	19%	0.185	C	C	.	.			trans	-101.2	5.3	-178.7	38.3	0	0	0	0	113.5	E63 Y69 R70 E118 N119 L121	E63-T65 PolarHBondContact O-N 3.46Å; T65-Y69 CarbonylContact O-C 3.52Å; T65-R70 WeakPolarHBondContact O-CA 3.15Å; T65-R70 PolarHBondContact O-N 3.45Å; T65-E118 PolarHBondContact OG1-O 2.63Å; T65-N119 PolarHBondContact N-OD1 2.78Å; T65-L121 HydrophobicContact CG2-CD1 3.58Å; T65-L121 HydrophobicContact CG2-CG 4.04Å
66	S	95.4	Very high	97.6	Very high	41 Å²	41	36.6 Å²	36.6	29%	0.287	20%	0.195	S	C	.	.	S	Bend	trans	-83.8	175.5	178.2	76.9	0	0	0	0	113.9	Q68 Y69 N119	S66-Q68 PolarHBondContact O-N 3.11Å; S66-Y69 PolarHBondContact O-N 3.41Å; S66-N119 WeakPolarHBondContact CB-OD1 3.25Å; S66-N119 PolarHBondContact N-OD1 2.81Å; S66-N119 PolarHBondContact OG-ND2 2.98Å; S66-N119 VanDerWaalsContact OG-ND2 3.17Å; S66-N119 PolarHBondContact OG-OD1 2.91Å
67	G	94	Very high	97.6	Very high	39 Å²	39	37.3 Å²	37.3	40%	0.402	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	59.8	-131.7	177.3	0	0	0	0	0	111.4	Y69 R70 M291	G67-Y69 PolarHBondContact O-N 3.21Å; G67-R70 VanDerWaalsContact O-CB 3.26Å; G67-R70 WeakPolarHBondContact O-CB 3.47Å; G67-R70 PolarHBondContact O-N 2.84Å; G67-M291 WeakPolarHBondContact O-CE 3.02Å
68	Q	95.4	Very high	97.6	Very high	130 Å²	130	43 Å²	43	61%	0.607	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-59.4	-12.3	-178.8	70.6	-178.8	-19.4	0	0	115.4	S66 K72 M291	S66-Q68 PolarHBondContact O-N 3.11Å; Q68-K72 WeakPolarHBondContact O-CE 3.31Å; Q68-M291 VanDerWaalsContact CA-CE 3.4Å
69	Y	96.7	Very high	97.6	Very high	76 Å²	76	47.2 Å²	47.2	30%	0.298	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-101.3	-1.7	180	-60.4	-64.9	0	0	0	113.8	T65 S66 G67 F71 K72 R75 R174	T65-Y69 CarbonylContact O-C 3.52Å; S66-Y69 PolarHBondContact O-N 3.41Å; G67-Y69 PolarHBondContact O-N 3.21Å; Y69-F71 VanDerWaalsContact C-N 3.32Å; Y69-F71 PolarHBondContact O-N 3.3Å; Y69-F71 VanDerWaalsContact O-N 3.16Å; Y69-K72 HydrophobicContact CD1-CD 4.4Å; Y69-K72 PolarHBondContact O-N 3.29Å; Y69-R75 VanDerWaalsContact CE1-NH1 3.29Å; Y69-R75 PolarHBondContact OH-NH1 2.93Å; Y69-R75 VanDerWaalsContact OH-NH1 3.09Å; Y69-R174 PolarHBondContact O-NH1 3.34Å
70	R	97.1	Very high	97.5	Very high	16 Å²	16	49.3 Å²	49.3	6%	0.06	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-51.5	-174.9	-176.9	177.4	-75.9	167.1	-4.3	114.3	T65 G67 E118 R174 F178 M291 K293 L298	T65-R70 WeakPolarHBondContact O-CA 3.15Å; T65-R70 PolarHBondContact O-N 3.45Å; G67-R70 VanDerWaalsContact O-CB 3.26Å; G67-R70 WeakPolarHBondContact O-CB 3.47Å; G67-R70 PolarHBondContact O-N 2.84Å; R70-E118 WeakPolarHBondContact CG-OE1 3.29Å; R70-E118 IonicContact CZ-OE1 3.7Å; R70-E118 IonicContact CZ-OE2 2.69Å; R70-E118 IonicContact NE-OE1 2.71Å; R70-E118 PolarHBondContact NE-OE1 2.82Å; R70-E118 IonicContact NE-OE2 3.75Å; R70-E118 IonicContact NH2-OE1 2.77Å; R70-E118 PolarHBondContact NH2-OE1 2.95Å; R70-E118 IonicContact NH2-OE2 3.3Å; R70-E118 PolarHBondContact NH2-OE2 2.93Å; R70-R174 PolarHBondContact O-NH1 2.88Å; R70-F178 HydrophobicContact CG-CD1 3.74Å; R70-F178 HydrophobicContact CG-CE1 4.16Å; R70-M291 HydrophobicContact CB-CE 4.27Å; R70-M291 HydrophobicContact CB-SD 3.93Å; R70-M291 PolarHBondContact NH1-O 3.15Å; R70-K293 PolarHBondContact NH1-O 3.08Å; R70-L298 VanDerWaalsContact NH1-CD1 3.35Å
71	F	97.9	Very high	97.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	8.8	-175.8	-56.8	-52.6	0	0	0	113.6	Y69 V177 F178 L181 D187 V188 M192 L290 M291 L298	Y69-F71 VanDerWaalsContact C-N 3.32Å; Y69-F71 PolarHBondContact O-N 3.3Å; Y69-F71 VanDerWaalsContact O-N 3.16Å; F71-V177 HydrophobicContact CE1-CG2 4.06Å; F71-V177 WeakPolarHBondContact CE1-O 3.41Å; F71-V177 HydrophobicContact CZ-CG2 4.39Å; F71-F178 HydrophobicContact CE1-CD1 4.31Å; F71-L181 HydrophobicContact CD1-CD2 4.13Å; F71-L181 HydrophobicContact CD2-CD2 4.46Å; F71-L181 HydrophobicContact CE1-CD2 3.97Å; F71-L181 HydrophobicContact CE2-CD2 4.32Å; F71-L181 HydrophobicContact CG-CD2 4.38Å; F71-L181 HydrophobicContact CZ-CD2 4.07Å; F71-D187 CarbonylContact C-O 3.49Å; F71-V188 HydrophobicContact CB-CB 4.34Å; F71-V188 HydrophobicContact CB-CG1 4.14Å; F71-V188 HydrophobicContact CB-CG2 3.71Å; F71-V188 HydrophobicContact CD2-CG2 4.31Å; F71-V188 HydrophobicContact CG-CG2 4.3Å; F71-M192 HydrophobicContact CB-CE 4.33Å; F71-M192 HydrophobicContact CD1-CE 4.38Å; F71-M192 WeakPolarHBondContact O-CG 3.33Å; F71-L290 HydrophobicContact CE2-CB 4.11Å; F71-M291 HydrophobicContact CD2-CG 4.22Å; F71-M291 HydrophobicContact CD2-SD 3.36Å; F71-M291 WeakPolarHBondContact CD2-SD 3.39Å; F71-M291 HydrophobicContact CE2-CG 4.31Å; F71-M291 HydrophobicContact CE2-SD 3.68Å; F71-M291 HydrophobicContact CG-SD 4.35Å; F71-L298 HydrophobicContact CZ-CD1 3.93Å
72	K	97.5	Very high	97.4	Very high	59 Å²	59	67.4 Å²	67.4	26%	0.257	34%	0.336	S	S	.	.	S	Bend	trans	-91.7	157.9	-177.8	-62.2	-164	-178.5	-133.1	0	111.7	Q68 Y69 R174 D187	Q68-K72 WeakPolarHBondContact O-CE 3.31Å; Y69-K72 HydrophobicContact CD1-CD 4.4Å; Y69-K72 PolarHBondContact O-N 3.29Å; K72-R174 PolarHBondContact O-NH1 2.75Å; K72-R174 PolarHBondContact O-NH2 3.47Å; K72-D187 WeakPolarHBondContact CE-OD1 3.24Å; K72-D187 IonicContact NZ-OD1 3.59Å; K72-D187 PolarHBondContact NZ-OD1 3.31Å; K72-D187 IonicContact NZ-OD2 3.55Å; K72-D187 PolarHBondContact NZ-OD2 3.08Å
73	P	97.7	Very high	97.3	Very high	50 Å²	50	69.9 Å²	69.9	33%	0.325	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-52.7	142.9	167.9	-27.1	35.7	0	0	0	112	P189 M195	P73-P189 HydrophobicContact CG-CG 4.14Å; P73-M195 HydrophobicContact CB-SD 3.87Å; P73-M195 HydrophobicContact CG-SD 3.94Å
74	P	98.3	Very high	97.3	Very high	21 Å²	21	70.7 Å²	70.7	14%	0.136	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-73.4	166	-177.5	36	-39.4	0	0	0	111.9	L121 M195 D196 L199	P74-L121 HydrophobicContact CB-CD1 3.66Å; P74-M195 HydrophobicContact CG-CB 4Å; P74-D196 WeakPolarHBondContact CB-OD1 3.47Å; P74-D196 WeakPolarHBondContact CG-OD1 3.3Å; P74-L199 HydrophobicContact CB-CD2 3.81Å; P74-L199 HydrophobicContact CG-CB 4.18Å; P74-L199 HydrophobicContact CG-CD2 4.13Å
75	R	98.3	Very high	97.3	Very high	121 Å²	121	71.8 Å²	71.8	46%	0.457	35%	0.352	S	S	.	.			trans	-128.2	144	177.5	-63.5	177.8	-177	164.7	-0.3	110.3	G62 E63 Y69 L199	G62-R75 CarbonylContact C-O 3.5Å; G62-R75 VanDerWaalsContact CA-O 3.25Å; G62-R75 WeakPolarHBondContact CA-O 3.23Å; E63-R75 HydrophobicContact CB-CB 4.26Å; E63-R75 HydrophobicContact CG-CB 4.17Å; E63-R75 PolarHBondContact N-O 3.33Å; Y69-R75 VanDerWaalsContact CE1-NH1 3.29Å; Y69-R75 PolarHBondContact OH-NH1 2.93Å; Y69-R75 VanDerWaalsContact OH-NH1 3.09Å; R75-L199 VanDerWaalsContact C-CD2 3.45Å; R75-L199 VanDerWaalsContact O-CD2 3.29Å; R75-L199 WeakPolarHBondContact O-CD2 3.41Å
76	M	98.6	Very high	97.4	Very high	44 Å²	44	71.6 Å²	71.6	22%	0.217	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-58.5	136.8	178	-170.3	63.5	72.8	0	0	110.8	E63 L199 Q202 W203	E63-M76 WeakPolarHBondContact CG-O 3.4Å; M76-L199 HydrophobicContact CB-CD1 4.03Å; M76-L199 HydrophobicContact CE-CD1 3.71Å; M76-L199 HydrophobicContact CE-CG 4.28Å; M76-L199 HydrophobicContact SD-CD1 4.22Å; M76-L199 HydrophobicContact SD-CG 4.44Å; M76-Q202 HydrophobicContact CE-CB 3.76Å; M76-W203 HydrophobicContact CE-CB 4.31Å; M76-W203 HydrophobicContact SD-CB 4Å; M76-W203 HydrophobicContact SD-CG 4.4Å
77	V	98.5	Very high	97.5	Very high	18 Å²	18	72.5 Å²	72.5	11%	0.109	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-52.5	142.7	174.9	67.1	0	0	0	0	111.9	L38 P60 F61 W80	L38-V77 HydrophobicContact CD1-CG1 3.71Å; L38-V77 HydrophobicContact CD2-CG1 4.16Å; P60-V77 HydrophobicContact CB-CG2 3.97Å; P60-V77 HydrophobicContact CG-CG2 4.19Å; F61-V77 PolarHBondContact O-N 2.71Å; V77-W80 HydrophobicContact CG1-CZ3 4.4Å; V77-W80 HydrophobicContact CG2-CE3 4.44Å; V77-W80 HydrophobicContact CG2-CZ3 4.05Å
78	K	97.9	Very high	97.7	Very high	131 Å²	131	75.5 Å²	75.5	57%	0.57	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-84.3	150.4	175.1	-69.2	172.2	178.1	141.1	0	111.3	E63	E63-K78 WeakPolarHBondContact OE1-CE 3.4Å; E63-K78 IonicContact OE1-NZ 3.75Å; E63-K78 PolarHBondContact OE1-NZ 2.82Å; E63-K78 WeakPolarHBondContact OE2-CE 3.34Å; E63-K78 IonicContact OE2-NZ 2.86Å; E63-K78 PolarHBondContact OE2-NZ 2.79Å
79	P	98.2	Very high	97.8	Very high	93 Å²	93	72.3 Å²	72.3	60%	0.604	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-57.3	145.7	171.7	-23.9	33.1	0	0	0	113.1	L38	L38-P79 HydrophobicContact CD2-CG 4.19Å; L38-P79 CarbonylContact O-C 3.57Å; L38-P79 WeakPolarHBondContact O-CA 3.48Å
80	W	97.6	Very high	97.9	Very high	45 Å²	45	68.7 Å²	68.7	17%	0.17	34%	0.338	C	S	.	.			trans	-115.5	149.9	176.3	55.3	81.3	0	0	0	111.9	L38 V40 L41 P60 V77 F84	L38-W80 HydrophobicContact CB-CE3 4.2Å; L38-W80 HydrophobicContact CB-CH2 3.59Å; L38-W80 HydrophobicContact CB-CZ2 4.02Å; L38-W80 HydrophobicContact CB-CZ3 3.68Å; L38-W80 HydrophobicContact CD1-CH2 4.06Å; L38-W80 HydrophobicContact CD1-CZ3 4.15Å; L38-W80 HydrophobicContact CG-CH2 4.47Å; L38-W80 HydrophobicContact CG-CZ3 4.45Å; L38-W80 PolarHBondContact O-N 3.06Å; V40-W80 PolarHBondContact O-NE1 2.96Å; V40-W80 VanDerWaalsContact O-NE1 3.08Å; L41-W80 HydrophobicContact CD1-CZ2 4.27Å; L41-W80 HydrophobicContact CD2-CH2 4.33Å; L41-W80 HydrophobicContact CD2-CZ2 3.77Å; L41-W80 HydrophobicContact CG-CZ2 3.82Å; P60-W80 HydrophobicContact CG-CH2 4.39Å; P60-W80 HydrophobicContact CG-CZ3 4.02Å; V77-W80 HydrophobicContact CG1-CZ3 4.4Å; V77-W80 HydrophobicContact CG2-CE3 4.44Å; V77-W80 HydrophobicContact CG2-CZ3 4.05Å; W80-F84 HydrophobicContact CZ2-CB 4.33Å
81	K	96.8	Very high	97.9	Very high	216 Å²	216	69.4 Å²	69.4	94%	0.939	34%	0.344	S	S	*	.	S	Bend	trans	-90.4	-38	-177.9	-65.5	-176.8	179.4	-179.8	0	113.6
82	K	97.4	Very high	98	Very high	174 Å²	174	69.3 Å²	69.3	76%	0.757	34%	0.344	S	S	*	.	S	Bend	trans	-89.1	139.4	-179.4	-66.8	-175.9	179.1	-178.8	0	109	F84	K82-F84 PolarHBondContact O-N 3.07Å
83	P	97.6	Very high	98	Very high	59 Å²	59	66.6 Å²	66.6	38%	0.383	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-50	132.7	173.5	-26.7	34.5	0	0	0	111.6	V40 K42	V40-P83 HydrophobicContact CB-CB 4.08Å; V40-P83 HydrophobicContact CB-CG 4.26Å; V40-P83 HydrophobicContact CG1-CB 4.17Å; V40-P83 WeakPolarHBondContact O-CA 3.35Å; K42-P83 HydrophobicContact CD-CB 3.82Å; K42-P83 VanDerWaalsContact CE-CB 3.44Å; K42-P83 HydrophobicContact CG-CB 4.16Å
84	F	98.1	Very high	98	Very high	61 Å²	61	66.9 Å²	66.9	27%	0.268	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.1	179.5	-176.8	-82.7	0	0	0	109.3	V40 L41 K42 G58 P60 W80 K82 A86 Y122	V40-F84 PolarHBondContact O-N 3.28Å; L41-F84 HydrophobicContact CD2-CB 3.99Å; L41-F84 HydrophobicContact CD2-CD1 3.69Å; L41-F84 HydrophobicContact CD2-CG 4.18Å; K42-F84 PolarHBondContact N-O 3.25Å; G58-F84 WeakPolarHBondContact O-CE1 3.14Å; G58-F84 WeakPolarHBondContact O-CZ 3.43Å; P60-F84 HydrophobicContact CG-CE2 4.14Å; P60-F84 HydrophobicContact CG-CZ 4.25Å; W80-F84 HydrophobicContact CZ2-CB 4.33Å; K82-F84 PolarHBondContact O-N 3.07Å; F84-A86 HydrophobicContact CD1-CB 4.09Å; F84-A86 HydrophobicContact CE1-CB 4.3Å; F84-A86 PolarHBondContact O-N 2.91Å; F84-Y122 HydrophobicContact CZ-CE1 4.36Å
85	E	98	Very high	98	Very high	107 Å²	107	66.1 Å²	66.1	50%	0.5	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	99.6	178	-60.8	-63.6	159.4	0	0	109.6	K42 T87	K42-E85 VanDerWaalsContact CD-CD 3.44Å; K42-E85 WeakPolarHBondContact CD-OE1 3.43Å; K42-E85 WeakPolarHBondContact CD-OE2 3.47Å; K42-E85 IonicContact NZ-OE1 2.81Å; K42-E85 PolarHBondContact NZ-OE1 2.93Å; E85-T87 PolarHBondContact O-N 3.34Å
86	A	98.2	Very high	97.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.			trans	-99	52.7	-177.3	0	0	0	0	0	111.4	L41 K42 F56 L57 V59 F84	L41-A86 HydrophobicContact CD2-CB 4.03Å; K42-A86 CarbonylContact O-C 3.53Å; K42-A86 WeakPolarHBondContact O-CA 3.36Å; K42-A86 PolarHBondContact O-N 2.99Å; F56-A86 HydrophobicContact CB-CB 4.36Å; F56-A86 HydrophobicContact CD1-CB 4.5Å; L57-A86 PolarHBondContact N-O 3.49Å; L57-A86 CarbonylContact O-C 3.52Å; L57-A86 WeakPolarHBondContact O-CA 3.43Å; L57-A86 WeakPolarHBondContact O-CB 3.38Å; V59-A86 HydrophobicContact CG2-CB 4.03Å; F84-A86 HydrophobicContact CD1-CB 4.09Å; F84-A86 HydrophobicContact CE1-CB 4.3Å; F84-A86 PolarHBondContact O-N 2.91Å
87	T	97.9	Very high	97.5	Very high	60 Å²	60	65.3 Å²	65.3	37%	0.368	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-114.7	-1.5	-177.7	58	0	0	0	0	113.8	K44 E85	K44-T87 HydrophobicContact CB-CG2 4.39Å; E85-T87 PolarHBondContact O-N 3.34Å
88	T	97.8	Very high	97.3	Very high	103 Å²	103	65.2 Å²	65.2	63%	0.632	32%	0.322	S	S	*	.	S	Bend	trans	-113.6	133.8	-178.9	-57.1	0	0	0	0	109.2	L57 G58	L57-T88 CarbonylContact C-O 3.52Å; L57-T88 VanDerWaalsContact CB-O 3.28Å; L57-T88 WeakPolarHBondContact CB-O 3.25Å; G58-T88 WeakPolarHBondContact CA-O 3.22Å; G58-T88 PolarHBondContact N-O 3.01Å; G58-T88 VanDerWaalsContact N-O 3.16Å
89	L	98.5	Very high	97.2	Very high	63 Å²	63	63.8 Å²	63.8	33%	0.33	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-54.4	146.4	177.6	-74.5	170.4	0	0	0	111.9	L57 T114	L57-L89 HydrophobicContact CD1-CD2 4.11Å; L57-L89 HydrophobicContact CD1-CG 4.33Å; L57-L89 HydrophobicContact CD2-CD2 4.12Å; L89-T114 HydrophobicContact CB-CG2 4.11Å
90	A	98.3	Very high	97	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-52.7	135.9	176.9	0	0	0	0	0	111.7	T114 N124 P150 S151	A90-T114 PolarHBondContact O-OG1 2.89Å; A90-N124 PolarHBondContact N-OD1 2.88Å; A90-P150 HydrophobicContact CB-CG 4.27Å; A90-S151 PolarHBondContact N-OG 3.33Å; A90-S151 WeakPolarHBondContact O-CB 3.49Å; A90-S151 PolarHBondContact O-OG 3.14Å
91	P	98.1	Very high	96.9	Very high	31 Å²	31	62.7 Å²	62.7	20%	0.201	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-61.9	149.7	170.2	29.1	-34.7	0	0	0	109.3	Y122 N172	P91-Y122 HydrophobicContact CG-CD2 3.63Å; P91-Y122 HydrophobicContact CG-CE2 3.85Å; P91-Y122 HydrophobicContact CG-CG 4.38Å; P91-N172 PolarHBondContact O-ND2 3.21Å
92	S	98.5	Very high	96.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	142.3	178.1	-65.2	0	0	0	0	109.4	T114 P115 L116 D117 T149	S92-T114 PolarHBondContact N-OG1 3.45Å; S92-T114 VanDerWaalsContact N-OG1 3.09Å; S92-T114 PolarHBondContact OG-OG1 3.22Å; S92-P115 PolarHBondContact N-O 3.14Å; S92-L116 WeakPolarHBondContact O-CA 3.4Å; S92-D117 PolarHBondContact O-N 3.48Å; S92-T149 WeakPolarHBondContact OG-CB 3.37Å; S92-T149 WeakPolarHBondContact OG-CG2 3.36Å; S92-T149 PolarHBondContact OG-OG1 3.06Å
93	C	98.4	Very high	96.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	146.5	170.4	-64	0	0	0	0	111	Q95 D117 C120 Y173 M175	C93-Q95 WeakPolarHBondContact O-CG 3.46Å; C93-Q95 PolarHBondContact O-N 3.21Å; C93-Q95 PolarHBondContact O-NE2 3.37Å; C93-D117 CarbonylContact C-O 3.41Å; C93-D117 WeakPolarHBondContact CA-O 3.26Å; C93-C120 VanDerWaalsContact CA-CB 3.4Å; C93-C120 WeakPolarHBondContact CA-SG 3.37Å; C93-C120 HydrophobicContact CB-CB 3.73Å; C93-C120 WeakPolarHBondContact CB-SG 3.42Å; C93-C120 WeakPolarHBondContact SG-CB 3.33Å; C93-C120 CovalentContact SG-SG 2.02Å; C93-C120 PolarHBondContact SG-SG 2.72Å; C93-Y173 VanDerWaalsContact SG-C 3.57Å; C93-Y173 PolarHBondContact SG-O 3.36Å; C93-M175 HydrophobicContact CB-CE 3.65Å
94	Y	98.1	Very high	96.7	Very high	56 Å²	56	51.3 Å²	51.3	22%	0.22	29%	0.291	C	S	.	.	S	Bend	trans	-55.4	126.6	179	-155.1	-77.7	0	0	0	111.5	L116 D117 F178 A295 S296 N299	Y94-L116 HydrophobicContact CD2-CB 4.29Å; Y94-D117 PolarHBondContact N-O 2.86Å; Y94-F178 AromaticContact CD1-CE2 3.86Å; Y94-F178 HydrophobicContact CD1-CE2 3.86Å; Y94-F178 HydrophobicContact CD1-CZ 4.2Å; Y94-F178 HydrophobicContact CG-CE2 4.28Å; Y94-A295 HydrophobicContact CD1-CB 3.94Å; Y94-A295 HydrophobicContact CD2-CB 3.75Å; Y94-A295 HydrophobicContact CE1-CB 3.92Å; Y94-A295 WeakPolarHBondContact CE1-O 3.2Å; Y94-A295 HydrophobicContact CE2-CB 3.73Å; Y94-A295 HydrophobicContact CG-CB 3.85Å; Y94-S296 VanDerWaalsContact OH-CA 3.24Å; Y94-S296 WeakPolarHBondContact OH-CA 3.46Å; Y94-S296 VanDerWaalsContact OH-CB 3.3Å; Y94-S296 WeakPolarHBondContact OH-CB 3.48Å; Y94-S296 PolarHBondContact OH-N 3.18Å; Y94-N299 HydrophobicContact CD1-CB 3.86Å; Y94-N299 HydrophobicContact CE1-CB 3.69Å
95	Q	97.7	Very high	96.6	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.023	30%	0.301	C	S	.	.			trans	-163.6	165.1	-173	65.1	-167	-91	0	0	110.6	C93 L116 Y147 G148 N299	C93-Q95 WeakPolarHBondContact O-CG 3.46Å; C93-Q95 PolarHBondContact O-N 3.21Å; C93-Q95 PolarHBondContact O-NE2 3.37Å; Q95-L116 HydrophobicContact CG-CD2 3.98Å; Q95-L116 WeakPolarHBondContact O-CD1 3.47Å; Q95-Y147 VanDerWaalsContact OE1-CB 3.25Å; Q95-G148 PolarHBondContact NE2-O 3.23Å; Q95-G148 PolarHBondContact OE1-O 2.84Å; Q95-N299 WeakPolarHBondContact CA-OD1 3.31Å
96	S	94	Very high	96.4	Very high	23 Å²	23	49.3 Å²	49.3	16%	0.161	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-80.2	150.5	170.5	-68.2	0	0	0	0	112.2	N299	S96-N299 PolarHBondContact N-ND2 3.47Å; S96-N299 VanDerWaalsContact N-ND2 3.2Å; S96-N299 PolarHBondContact N-OD1 3.05Å; S96-N299 PolarHBondContact OG-ND2 3.42Å
97	K	92.7	Very high	96.3	Very high	124 Å²	124	49.4 Å²	49.4	54%	0.539	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-80.5	135	164.7	-169.9	-177.5	174.3	180	0	109.4	T99 N111	K97-T99 HydrophobicContact CB-CG2 4.45Å; K97-T99 HydrophobicContact CG-CG2 4.45Å; K97-T99 PolarHBondContact O-N 3.09Å; K97-N111 VanDerWaalsContact CE-ND2 3.34Å; K97-N111 WeakPolarHBondContact CE-ND2 3.18Å; K97-N111 HydrophobicContact CG-CB 4.06Å; K97-N111 WeakPolarHBondContact CG-ND2 3.22Å; K97-N111 WeakPolarHBondContact CG-OD1 3.36Å
98	D	94.2	Very high	96.2	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.091	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.2	118	163	176.4	12.6	0	0	0	109.6	T100 N111 W146 Y359	D98-T100 VanDerWaalsContact OD1-CB 3.31Å; D98-T100 WeakPolarHBondContact OD1-CB 3.28Å; D98-T100 PolarHBondContact OD1-N 3.48Å; D98-T100 PolarHBondContact OD1-OG1 2.95Å; D98-N111 WeakPolarHBondContact CB-OD1 3.49Å; D98-N111 PolarHBondContact N-OD1 2.9Å; D98-N111 PolarHBondContact O-ND2 3.07Å; D98-W146 HydrophobicContact CB-CH2 4.42Å; D98-Y359 VanDerWaalsContact OD2-CE1 3.26Å; D98-Y359 WeakPolarHBondContact OD2-CE1 3.32Å; D98-Y359 PolarHBondContact OD2-OH 2.9Å
99	T	94.9	Very high	96.1	Very high	100 Å²	100	47.3 Å²	47.3	61%	0.613	26%	0.257	S	S	*	.			trans	-117.8	15.3	177.7	63.1	0	0	0	0	112.8	K97 F101	K97-T99 HydrophobicContact CB-CG2 4.45Å; K97-T99 HydrophobicContact CG-CG2 4.45Å; K97-T99 PolarHBondContact O-N 3.09Å; T99-F101 VanDerWaalsContact C-N 3.35Å
100	T	94.8	Very high	96	Very high	79 Å²	79	45 Å²	45	49%	0.485	24%	0.244	S	C	.	.	S	Bend	trans	-66.6	-36.7	-177.7	-64.1	0	0	0	0	111.9	D98 P102 Y359	D98-T100 VanDerWaalsContact OD1-CB 3.31Å; D98-T100 WeakPolarHBondContact OD1-CB 3.28Å; D98-T100 PolarHBondContact OD1-N 3.48Å; D98-T100 PolarHBondContact OD1-OG1 2.95Å; T100-P102 WeakPolarHBondContact O-CD 3.36Å; T100-Y359 HydrophobicContact CG2-CD1 3.98Å; T100-Y359 HydrophobicContact CG2-CE1 4.08Å
101	F	95.9	Very high	96	Very high	37 Å²	37	45.5 Å²	45.5	16%	0.162	25%	0.247	C	C	.	.	S	Bend	trans	-125	73.1	178.1	-54.6	-68.4	0	0	0	111.1	T99 G103 F104 A107 F358 Y359 I367 W459	T99-F101 VanDerWaalsContact C-N 3.35Å; F101-G103 PolarHBondContact O-N 2.96Å; F101-F104 HydrophobicContact CB-CB 3.84Å; F101-F104 HydrophobicContact CB-CD1 4.28Å; F101-F104 HydrophobicContact CB-CG 4.46Å; F101-F104 WeakPolarHBondContact O-CB 3.28Å; F101-F104 PolarHBondContact O-N 2.68Å; F101-F104 VanDerWaalsContact O-N 3.11Å; F101-A107 HydrophobicContact CB-CB 3.94Å; F101-A107 HydrophobicContact CD2-CB 4.14Å; F101-F358 HydrophobicContact CE2-CB 4.19Å; F101-F358 HydrophobicContact CZ-CB 3.87Å; F101-Y359 HydrophobicContact CD2-CE1 4.09Å; F101-Y359 HydrophobicContact CD2-CE2 4.18Å; F101-Y359 AromaticContact CD2-CZ 3.76Å; F101-Y359 HydrophobicContact CE2-CD1 4.11Å; F101-Y359 AromaticContact CE2-CD2 3.98Å; F101-Y359 HydrophobicContact CE2-CD2 3.98Å; F101-Y359 AromaticContact CE2-CE1 3.83Å; F101-Y359 HydrophobicContact CE2-CE1 3.83Å; F101-Y359 AromaticContact CE2-CE2 3.68Å; F101-Y359 HydrophobicContact CE2-CE2 3.68Å; F101-Y359 HydrophobicContact CE2-CG 4.19Å; F101-Y359 AromaticContact CE2-CZ 3.61Å; F101-I367 HydrophobicContact CB-CD1 4.09Å; F101-I367 HydrophobicContact CD1-CD1 3.36Å; F101-I367 HydrophobicContact CD1-CG1 4.28Å; F101-I367 HydrophobicContact CD2-CD1 4.05Å; F101-I367 HydrophobicContact CE1-CD1 3.7Å; F101-I367 HydrophobicContact CE1-CG1 4.17Å; F101-I367 HydrophobicContact CE2-CD1 4.33Å; F101-I367 HydrophobicContact CG-CD1 3.55Å; F101-I367 HydrophobicContact CZ-CD1 4.18Å; F101-W459 HydrophobicContact CD2-CH2 4.25Å; F101-W459 HydrophobicContact CE2-CH2 4.21Å
102	P	94.7	Very high	96	Very high	109 Å²	109	45.5 Å²	45.5	71%	0.708	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	132.5	-173.6	26.6	-34.2	0	0	0	111.6	T100 F104	T100-P102 WeakPolarHBondContact O-CD 3.36Å; P102-F104 PolarHBondContact O-N 2.79Å
103	G	95	Very high	95.9	Very high	60 Å²	60	48.8 Å²	48.8	62%	0.619	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-3	-177.9	0	0	0	0	0	114.9	F101 R105 E108	F101-G103 PolarHBondContact O-N 2.96Å; G103-R105 PolarHBondContact O-N 3.21Å; G103-E108 WeakPolarHBondContact CA-OE1 3.41Å; G103-E108 PolarHBondContact N-OE1 2.86Å
104	F	96.9	Very high	95.9	Very high	40 Å²	40	49.8 Å²	49.8	18%	0.175	27%	0.273	C	S	.	.			trans	-86.3	110.1	176.4	-179.5	-113.6	0	0	0	110.5	F101 P102 G106 A107 E108 I367 P458 W459	F101-F104 HydrophobicContact CB-CB 3.84Å; F101-F104 HydrophobicContact CB-CD1 4.28Å; F101-F104 HydrophobicContact CB-CG 4.46Å; F101-F104 WeakPolarHBondContact O-CB 3.28Å; F101-F104 PolarHBondContact O-N 2.68Å; F101-F104 VanDerWaalsContact O-N 3.11Å; P102-F104 PolarHBondContact O-N 2.79Å; F104-G106 PolarHBondContact O-N 2.94Å; F104-A107 HydrophobicContact CD1-CB 4.09Å; F104-A107 PolarHBondContact O-N 3.12Å; F104-E108 PolarHBondContact O-N 2.98Å; F104-I367 HydrophobicContact CD1-CD1 3.68Å; F104-I367 HydrophobicContact CD2-CG2 4.35Å; F104-I367 HydrophobicContact CE1-CD1 3.82Å; F104-I367 HydrophobicContact CE2-CG2 3.96Å; F104-I367 HydrophobicContact CG-CD1 4.08Å; F104-I367 HydrophobicContact CZ-CD1 4.34Å; F104-I367 HydrophobicContact CZ-CG2 4.1Å; F104-P458 HydrophobicContact CE2-CB 4.05Å; F104-P458 HydrophobicContact CE2-CG 4.49Å; F104-P458 HydrophobicContact CZ-CB 4.05Å; F104-P458 HydrophobicContact CZ-CG 4.08Å; F104-P458 WeakPolarHBondContact CZ-O 3.36Å; F104-W459 HydrophobicContact CD1-CH2 4.47Å; F104-W459 HydrophobicContact CD1-CZ2 4.41Å; F104-W459 AromaticContact CE1-CD2 3.63Å; F104-W459 HydrophobicContact CE1-CD2 3.63Å; F104-W459 AromaticContact CE1-CE2 3.59Å; F104-W459 AromaticContact CE1-CE3 3.84Å; F104-W459 HydrophobicContact CE1-CE3 3.84Å; F104-W459 HydrophobicContact CE1-CG 4.2Å; F104-W459 AromaticContact CE1-CH2 3.98Å; F104-W459 HydrophobicContact CE1-CH2 3.98Å; F104-W459 AromaticContact CE1-CZ2 3.78Å; F104-W459 HydrophobicContact CE1-CZ2 3.78Å; F104-W459 AromaticContact CE1-CZ3 4Å; F104-W459 HydrophobicContact CE1-CZ3 4Å; F104-W459 AromaticContact CZ-CD2 3.96Å; F104-W459 HydrophobicContact CZ-CD2 3.96Å; F104-W459 HydrophobicContact CZ-CE3 4.22Å; F104-W459 HydrophobicContact CZ-CG 4.13Å
105	R	95.4	Very high	95.8	Very high	127 Å²	127	52.2 Å²	52.2	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-51.7	-35.6	-175.9	-173.9	174.8	63.1	84.4	-1.3	114	G103 A107 E108 M109 T456	G103-R105 PolarHBondContact O-N 3.21Å; R105-A107 VanDerWaalsContact C-N 3.25Å; R105-A107 PolarHBondContact O-N 2.9Å; R105-E108 PolarHBondContact O-N 3.08Å; R105-M109 WeakPolarHBondContact O-CB 3.22Å; R105-M109 WeakPolarHBondContact O-CG 3.19Å; R105-M109 PolarHBondContact O-N 3.02Å; R105-T456 PolarHBondContact NH2-O 3.35Å
106	G	94.9	Very high	95.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-25.2	-179	0	0	0	0	0	114.3	F104 W110 W459 Y469	F104-G106 PolarHBondContact O-N 2.94Å; G106-W110 VanDerWaalsContact O-CD1 3.24Å; G106-W110 PolarHBondContact O-NE1 2.85Å; G106-W459 PolarHBondContact O-NE1 3.36Å; G106-Y469 PolarHBondContact O-OH 3.31Å
107	A	95.7	Very high	96	Very high	2 Å²	2	58 Å²	58	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-92.2	-45.2	171	0	0	0	0	0	110.7	F101 F104 R105 M109 W110 Y359	F101-A107 HydrophobicContact CB-CB 3.94Å; F101-A107 HydrophobicContact CD2-CB 4.14Å; F104-A107 HydrophobicContact CD1-CB 4.09Å; F104-A107 PolarHBondContact O-N 3.12Å; R105-A107 VanDerWaalsContact C-N 3.25Å; R105-A107 PolarHBondContact O-N 2.9Å; A107-M109 VanDerWaalsContact C-N 3.28Å; A107-M109 PolarHBondContact O-N 3.23Å; A107-W110 PolarHBondContact O-N 3.38Å; A107-Y359 WeakPolarHBondContact CB-OH 3.34Å
108	E	96.2	Very high	96.2	Very high	75 Å²	75	53.5 Å²	53.5	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-28.1	-174.7	-68.5	-167.2	148.3	0	0	114.4	G103 F104 R105 W110 N111	G103-E108 WeakPolarHBondContact CA-OE1 3.41Å; G103-E108 PolarHBondContact N-OE1 2.86Å; F104-E108 PolarHBondContact O-N 2.98Å; R105-E108 PolarHBondContact O-N 3.08Å; E108-W110 PolarHBondContact O-N 2.9Å; E108-W110 VanDerWaalsContact O-N 3.12Å; E108-N111 WeakPolarHBondContact O-CB 3.43Å; E108-N111 PolarHBondContact O-N 2.87Å; E108-N111 VanDerWaalsContact O-N 3.11Å
109	M	96	Very high	96.4	Very high	43 Å²	43	54.4 Å²	54.4	21%	0.212	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.6	178.3	66.5	-176.8	-74.1	0	0	114.2	R105 A107 I154 Y469	R105-M109 WeakPolarHBondContact O-CB 3.22Å; R105-M109 WeakPolarHBondContact O-CG 3.19Å; R105-M109 PolarHBondContact O-N 3.02Å; A107-M109 VanDerWaalsContact C-N 3.28Å; A107-M109 PolarHBondContact O-N 3.23Å; M109-I154 HydrophobicContact CE-CD1 3.72Å; M109-Y469 HydrophobicContact CE-CE1 4.39Å; M109-Y469 HydrophobicContact SD-CE1 4.08Å; M109-Y469 PolarHBondContact SD-OH 3.09Å; M109-Y469 VanDerWaalsContact SD-OH 3.35Å
110	W	96.8	Very high	96.6	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.057	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-8.2	179.9	-54.6	110.9	0	0	0	113.5	G106 A107 E108 Y147 L152 I154 A468 Y469 I471	G106-W110 VanDerWaalsContact O-CD1 3.24Å; G106-W110 PolarHBondContact O-NE1 2.85Å; A107-W110 PolarHBondContact O-N 3.38Å; E108-W110 PolarHBondContact O-N 2.9Å; E108-W110 VanDerWaalsContact O-N 3.12Å; W110-Y147 HydrophobicContact CB-CE2 3.89Å; W110-L152 HydrophobicContact CE3-CD1 4.15Å; W110-I154 HydrophobicContact CH2-CD1 3.77Å; W110-I154 HydrophobicContact CZ3-CD1 4.1Å; W110-I154 HydrophobicContact CZ3-CG2 4.11Å; W110-A468 HydrophobicContact CH2-CB 3.74Å; W110-A468 HydrophobicContact CZ2-CB 4.04Å; W110-A468 HydrophobicContact CZ3-CB 4.39Å; W110-Y469 HydrophobicContact CZ2-CD2 4.48Å; W110-Y469 HydrophobicContact CZ2-CE2 4.16Å; W110-I471 HydrophobicContact CH2-CD1 4.27Å; W110-I471 HydrophobicContact CZ3-CD1 4.31Å
111	N	97.6	Very high	96.8	Very high	10 Å²	10	46 Å²	46	5%	0.053	26%	0.259	C	S	.	.	S	Bend	trans	-76.6	142.8	177.9	-81.5	-45.3	0	0	0	111.4	K97 D98 E108 N113 L152	K97-N111 VanDerWaalsContact CE-ND2 3.34Å; K97-N111 WeakPolarHBondContact CE-ND2 3.18Å; K97-N111 HydrophobicContact CG-CB 4.06Å; K97-N111 WeakPolarHBondContact CG-ND2 3.22Å; K97-N111 WeakPolarHBondContact CG-OD1 3.36Å; D98-N111 WeakPolarHBondContact CB-OD1 3.49Å; D98-N111 PolarHBondContact N-OD1 2.9Å; D98-N111 PolarHBondContact O-ND2 3.07Å; E108-N111 WeakPolarHBondContact O-CB 3.43Å; E108-N111 PolarHBondContact O-N 2.87Å; E108-N111 VanDerWaalsContact O-N 3.11Å; N111-N113 PolarHBondContact O-N 2.95Å; N111-L152 WeakPolarHBondContact O-CD2 3.35Å
112	A	97.7	Very high	96.9	Very high	31 Å²	31	47.4 Å²	47.4	26%	0.256	26%	0.263	S	S	.	.			trans	-51.2	125	173.9	0	0	0	0	0	111.7	L116 T149	A112-L116 HydrophobicContact CB-CD2 3.88Å; A112-T149 HydrophobicContact CB-CG2 4.23Å
113	N	96.3	Very high	97.1	Very high	70 Å²	70	42.2 Å²	42.2	37%	0.374	23%	0.23	S	C	.	.			trans	-106.7	3.8	-177.1	63.9	-16.9	0	0	0	112.8	N111 S151 D153	N111-N113 PolarHBondContact O-N 2.95Å; N113-S151 PolarHBondContact ND2-O 3.01Å; N113-S151 PolarHBondContact OD1-O 2.86Å; N113-D153 PolarHBondContact ND2-N 3.46Å; N113-D153 PolarHBondContact ND2-OD1 3.4Å
114	T	98.2	Very high	97.3	Very high	23 Å²	23	39.3 Å²	39.3	14%	0.141	20%	0.2	C	C	.	.	S	Bend	trans	-120.1	162.1	174.7	62.6	0	0	0	0	111	L89 A90 S92 L116	L89-T114 HydrophobicContact CB-CG2 4.11Å; A90-T114 PolarHBondContact O-OG1 2.89Å; S92-T114 PolarHBondContact N-OG1 3.45Å; S92-T114 VanDerWaalsContact N-OG1 3.09Å; S92-T114 PolarHBondContact OG-OG1 3.22Å; T114-L116 PolarHBondContact O-N 2.77Å
115	P	97.4	Very high	97.4	Very high	107 Å²	107	37.4 Å²	37.4	70%	0.695	19%	0.192	S	C	*	.			trans	-54.1	139.8	178.6	-26.8	35.8	0	0	0	112.6	S92	S92-P115 PolarHBondContact N-O 3.14Å
116	L	97.8	Very high	97.5	Very high	76 Å²	76	31.7 Å²	31.7	40%	0.398	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.9	177	-57.9	-177.5	0	0	0	110.5	S92 Y94 Q95 A112 T114	S92-L116 WeakPolarHBondContact O-CA 3.4Å; Y94-L116 HydrophobicContact CD2-CB 4.29Å; Q95-L116 HydrophobicContact CG-CD2 3.98Å; Q95-L116 WeakPolarHBondContact O-CD1 3.47Å; A112-L116 HydrophobicContact CB-CD2 3.88Å; T114-L116 PolarHBondContact O-N 2.77Å
117	D	97	Very high	97.7	Very high	72 Å²	72	32.1 Å²	32.1	39%	0.385	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.9	174.1	-157.8	-42.3	0	0	0	110.3	S92 C93 Y94 N119	S92-D117 PolarHBondContact O-N 3.48Å; C93-D117 CarbonylContact C-O 3.41Å; C93-D117 WeakPolarHBondContact CA-O 3.26Å; Y94-D117 PolarHBondContact N-O 2.86Å; D117-N119 VanDerWaalsContact C-N 3.29Å; D117-N119 WeakPolarHBondContact OD1-CB 3.2Å; D117-N119 PolarHBondContact OD1-N 2.89Å
118	E	97.8	Very high	97.8	Very high	30 Å²	30	32 Å²	32	14%	0.14	17%	0.172	C	C	.	.	S	Bend	trans	-72.9	-27.4	168.4	-71.5	-171.3	69.5	0	0	111.7	T65 R70 C120 F178 A295	T65-E118 PolarHBondContact OG1-O 2.63Å; R70-E118 WeakPolarHBondContact CG-OE1 3.29Å; R70-E118 IonicContact CZ-OE1 3.7Å; R70-E118 IonicContact CZ-OE2 2.69Å; R70-E118 IonicContact NE-OE1 2.71Å; R70-E118 PolarHBondContact NE-OE1 2.82Å; R70-E118 IonicContact NE-OE2 3.75Å; R70-E118 IonicContact NH2-OE1 2.77Å; R70-E118 PolarHBondContact NH2-OE1 2.95Å; R70-E118 IonicContact NH2-OE2 3.3Å; R70-E118 PolarHBondContact NH2-OE2 2.93Å; E118-C120 PolarHBondContact O-N 3.35Å; E118-F178 HydrophobicContact CG-CE1 4.44Å; E118-A295 HydrophobicContact CG-CB 4Å
119	N	97.9	Very high	97.8	Very high	37 Å²	37	34.2 Å²	34.2	20%	0.198	18%	0.177	C	C	.	.			trans	-87.5	77.7	174	-62.1	-44.5	0	0	0	109.2	P64 T65 S66 D117 Y122	P64-N119 VanDerWaalsContact C-OD1 3.32Å; P64-N119 WeakPolarHBondContact CA-OD1 3.15Å; P64-N119 HydrophobicContact CB-CB 4.47Å; P64-N119 WeakPolarHBondContact CB-OD1 3.27Å; T65-N119 PolarHBondContact N-OD1 2.78Å; S66-N119 WeakPolarHBondContact CB-OD1 3.25Å; S66-N119 PolarHBondContact N-OD1 2.81Å; S66-N119 PolarHBondContact OG-ND2 2.98Å; S66-N119 VanDerWaalsContact OG-ND2 3.17Å; S66-N119 PolarHBondContact OG-OD1 2.91Å; D117-N119 VanDerWaalsContact C-N 3.29Å; D117-N119 WeakPolarHBondContact OD1-CB 3.2Å; D117-N119 PolarHBondContact OD1-N 2.89Å; N119-Y122 VanDerWaalsContact O-CE2 3.32Å; N119-Y122 WeakPolarHBondContact O-CE2 3.49Å
120	C	98.3	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.			trans	-119.6	7.5	-168.3	62.6	0	0	0	0	115	C93 E118 Y122 N172	C93-C120 VanDerWaalsContact CA-CB 3.4Å; C93-C120 WeakPolarHBondContact CA-SG 3.37Å; C93-C120 HydrophobicContact CB-CB 3.73Å; C93-C120 WeakPolarHBondContact CB-SG 3.42Å; C93-C120 WeakPolarHBondContact SG-CB 3.33Å; C93-C120 CovalentContact SG-SG 2.02Å; C93-C120 PolarHBondContact SG-SG 2.72Å; E118-C120 PolarHBondContact O-N 3.35Å; C120-Y122 PolarHBondContact O-N 3.01Å; C120-N172 WeakPolarHBondContact O-CB 3.31Å; C120-N172 VanDerWaalsContact O-CG 3.26Å; C120-N172 PolarHBondContact O-ND2 2.93Å
121	L	98.8	Very high	97.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	20%	0.2	C	C	.	.			trans	-73.9	68.8	-176.7	-58.2	-168.5	0	0	0	113.4	F61 G62 T65 P74 D196	F61-L121 WeakPolarHBondContact CD1-O 3.38Å; F61-L121 HydrophobicContact CD2-CB 4.42Å; F61-L121 HydrophobicContact CE1-CB 4.19Å; F61-L121 HydrophobicContact CE2-CB 3.92Å; F61-L121 HydrophobicContact CE2-CD1 4.45Å; F61-L121 HydrophobicContact CE2-CD2 4.33Å; F61-L121 HydrophobicContact CE2-CG 4.46Å; F61-L121 HydrophobicContact CZ-CB 3.79Å; F61-L121 HydrophobicContact CZ-CD2 4Å; F61-L121 HydrophobicContact CZ-CG 4.4Å; F61-L121 PolarHBondContact N-O 2.94Å; G62-L121 PolarHBondContact N-O 2.94Å; T65-L121 HydrophobicContact CG2-CD1 3.58Å; T65-L121 HydrophobicContact CG2-CG 4.04Å; P74-L121 HydrophobicContact CB-CD1 3.66Å; L121-D196 HydrophobicContact CD2-CB 3.79Å
122	Y	98.8	Very high	97.8	Very high	65 Å²	65	45.6 Å²	45.6	26%	0.255	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.9	-179.9	-63.4	-93	0	0	0	111.1	G58 V59 P60 F61 F84 P91 N119 C120 N172	G58-Y122 WeakPolarHBondContact O-CD1 3.31Å; V59-Y122 CarbonylContact O-C 3.49Å; V59-Y122 VanDerWaalsContact O-CA 3.24Å; V59-Y122 WeakPolarHBondContact O-CA 3.31Å; P60-Y122 VanDerWaalsContact CA-CD1 3.49Å; P60-Y122 HydrophobicContact CB-CD1 3.8Å; P60-Y122 HydrophobicContact CB-CE1 3.6Å; P60-Y122 HydrophobicContact CG-CD1 4.5Å; P60-Y122 HydrophobicContact CG-CE1 4.23Å; F61-Y122 VanDerWaalsContact CE1-N 3.35Å; F61-Y122 WeakPolarHBondContact CE1-O 3.46Å; F84-Y122 HydrophobicContact CZ-CE1 4.36Å; P91-Y122 HydrophobicContact CG-CD2 3.63Å; P91-Y122 HydrophobicContact CG-CE2 3.85Å; P91-Y122 HydrophobicContact CG-CG 4.38Å; N119-Y122 VanDerWaalsContact O-CE2 3.32Å; N119-Y122 WeakPolarHBondContact O-CE2 3.49Å; C120-Y122 PolarHBondContact O-N 3.01Å; Y122-N172 WeakPolarHBondContact O-CB 3.35Å; Y122-N172 PolarHBondContact O-N 3.07Å
123	L	98.9	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157.6	174.3	61.8	83.1	0	0	0	110.9	G58 V59 F61 M125 V169 N170 L171 W203	G58-L123 PolarHBondContact N-O 3.13Å; V59-L123 HydrophobicContact CB-CD1 3.74Å; V59-L123 HydrophobicContact CB-CG 4.12Å; V59-L123 HydrophobicContact CG1-CD1 4.37Å; V59-L123 HydrophobicContact CG2-CD1 4.2Å; V59-L123 PolarHBondContact N-O 2.97Å; V59-L123 PolarHBondContact O-N 3.34Å; F61-L123 HydrophobicContact CB-CD2 4.07Å; F61-L123 HydrophobicContact CD1-CB 4.12Å; F61-L123 HydrophobicContact CD1-CD2 4.12Å; F61-L123 HydrophobicContact CD1-CG 4.31Å; F61-L123 HydrophobicContact CG-CD2 4.44Å; L123-M125 HydrophobicContact CD1-CB 4.15Å; L123-V169 HydrophobicContact CB-CG1 4.18Å; L123-V169 HydrophobicContact CD1-CG1 4.1Å; L123-V169 HydrophobicContact CD2-CG1 4.19Å; L123-V169 HydrophobicContact CG-CG1 4.39Å; L123-N170 CarbonylContact C-O 3.59Å; L123-N170 WeakPolarHBondContact CA-O 3.25Å; L123-N170 WeakPolarHBondContact CB-O 3.39Å; L123-L171 HydrophobicContact CB-CB 4.15Å; L123-W203 HydrophobicContact CD1-CZ3 4.39Å; L123-W203 HydrophobicContact CD2-CD2 4.02Å; L123-W203 HydrophobicContact CD2-CE3 3.57Å; L123-W203 HydrophobicContact CD2-CH2 4.46Å; L123-W203 HydrophobicContact CD2-CZ3 3.82Å
124	N	98.9	Very high	97.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.5	162.6	-45.8	-69.5	0	0	0	109.3	L57 G58 A90 W126 S151 V169 N170	L57-N124 HydrophobicContact CD2-CB 3.88Å; G58-N124 PolarHBondContact N-OD1 2.84Å; A90-N124 PolarHBondContact N-OD1 2.88Å; N124-W126 HydrophobicContact CB-CH2 3.73Å; N124-W126 HydrophobicContact CB-CZ2 4.07Å; N124-W126 HydrophobicContact CB-CZ3 4.11Å; N124-S151 PolarHBondContact ND2-OG 3.05Å; N124-V169 WeakPolarHBondContact O-CA 3.42Å; N124-N170 WeakPolarHBondContact CB-OD1 3.33Å; N124-N170 PolarHBondContact N-O 3.17Å; N124-N170 PolarHBondContact N-OD1 2.88Å; N124-N170 PolarHBondContact ND2-OD1 2.95Å; N124-N170 VanDerWaalsContact ND2-OD1 3.09Å; N124-N170 PolarHBondContact O-N 3.46Å
125	M	98.8	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.5	-177.4	176.5	174	56.7	0	0	111.4	S55 F56 L123 V127 I167 V168 V169 I208 F211	S55-M125 WeakPolarHBondContact CA-O 3.46Å; F56-M125 HydrophobicContact CB-CB 4.47Å; F56-M125 HydrophobicContact CB-CE 3.99Å; F56-M125 HydrophobicContact CD2-CE 3.84Å; F56-M125 HydrophobicContact CG-CE 4.08Å; F56-M125 PolarHBondContact N-O 2.79Å; F56-M125 PolarHBondContact O-N 2.97Å; L123-M125 HydrophobicContact CD1-CB 4.15Å; M125-V127 HydrophobicContact CE-CG2 4.26Å; M125-V127 HydrophobicContact CG-CG2 3.74Å; M125-V127 HydrophobicContact SD-CG2 3.93Å; M125-I167 HydrophobicContact CG-CG2 3.8Å; M125-I167 HydrophobicContact SD-CG2 3.97Å; M125-V168 CarbonylContact C-O 3.52Å; M125-V168 VanDerWaalsContact CA-O 3.28Å; M125-V168 WeakPolarHBondContact CA-O 3.24Å; M125-V169 HydrophobicContact CB-CG2 4.22Å; M125-V169 HydrophobicContact CG-CG2 3.91Å; M125-V169 HydrophobicContact SD-CG2 4.11Å; M125-I208 HydrophobicContact SD-CD1 3.42Å; M125-I208 WeakPolarHBondContact SD-CD1 3.19Å; M125-F211 HydrophobicContact CE-CB 4.32Å; M125-F211 HydrophobicContact CE-CD1 3.26Å; M125-F211 HydrophobicContact CE-CD2 3.79Å; M125-F211 HydrophobicContact CE-CE1 3.31Å; M125-F211 HydrophobicContact CE-CE2 3.84Å; M125-F211 HydrophobicContact CE-CG 3.5Å; M125-F211 HydrophobicContact CE-CZ 3.6Å; M125-F211 HydrophobicContact SD-CB 4.32Å; M125-F211 HydrophobicContact SD-CD1 4.31Å; M125-F211 HydrophobicContact SD-CD2 4.29Å; M125-F211 HydrophobicContact SD-CG 4.04Å
126	W	98.8	Very high	98	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.023	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	176.7	-58.9	-86.3	0	0	0	109.7	V53 L57 N124 Y155 R158 A161 I167 V168 N170	V53-W126 HydrophobicContact CG1-CB 3.94Å; L57-W126 HydrophobicContact CD2-CZ2 4.1Å; N124-W126 HydrophobicContact CB-CH2 3.73Å; N124-W126 HydrophobicContact CB-CZ2 4.07Å; N124-W126 HydrophobicContact CB-CZ3 4.11Å; W126-Y155 VanDerWaalsContact CH2-O 3.27Å; W126-Y155 WeakPolarHBondContact CH2-O 3.23Å; W126-R158 HydrophobicContact CG-CG 4.18Å; W126-A161 HydrophobicContact CB-CB 3.85Å; W126-I167 WeakPolarHBondContact O-CA 3.12Å; W126-V168 HydrophobicContact CE3-CB 4.12Å; W126-V168 HydrophobicContact CE3-CG1 4Å; W126-V168 HydrophobicContact CZ3-CG1 4.29Å; W126-V168 PolarHBondContact N-O 2.88Å; W126-V168 PolarHBondContact O-N 2.92Å; W126-N170 WeakPolarHBondContact CH2-ND2 3.42Å
127	V	98.7	Very high	98.1	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.6	-171.1	-176.6	0	0	0	0	109	V53 A54 F56 M125 W129 V131 I167 F211	V53-V127 CarbonylContact C-O 3.45Å; V53-V127 WeakPolarHBondContact CA-O 3.19Å; A54-V127 HydrophobicContact CB-CB 4.38Å; A54-V127 PolarHBondContact N-O 2.93Å; A54-V127 PolarHBondContact O-N 2.83Å; F56-V127 HydrophobicContact CD2-CG2 4.22Å; F56-V127 HydrophobicContact CE2-CG2 4.26Å; M125-V127 HydrophobicContact CE-CG2 4.26Å; M125-V127 HydrophobicContact CG-CG2 3.74Å; M125-V127 HydrophobicContact SD-CG2 3.93Å; V127-W129 PolarHBondContact O-N 2.89Å; V127-V131 HydrophobicContact CG1-CG2 3.94Å; V127-I167 HydrophobicContact CG1-CD1 4.05Å; V127-I167 HydrophobicContact CG1-CG1 4.15Å; V127-I167 HydrophobicContact CG2-CD1 4.32Å; V127-I167 HydrophobicContact CG2-CG1 4.43Å; V127-I167 HydrophobicContact CG2-CG2 4.11Å; V127-F211 VanDerWaalsContact CG1-O 3.28Å; V127-F211 WeakPolarHBondContact CG1-O 3.01Å; V127-F211 HydrophobicContact CG2-CB 4.15Å
128	P	98	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.3	173.8	-18.8	31.9	0	0	0	109.6	G130 V131 A161 V166	P128-G130 PolarHBondContact O-N 3.42Å; P128-V131 HydrophobicContact CB-CG1 3.71Å; P128-V131 HydrophobicContact CG-CG1 4.26Å; P128-V131 VanDerWaalsContact O-CG1 3.31Å; P128-V131 WeakPolarHBondContact O-CG1 3.21Å; P128-V131 VanDerWaalsContact O-CG2 3.23Å; P128-V131 WeakPolarHBondContact O-CG2 3.36Å; P128-V131 PolarHBondContact O-N 2.89Å; P128-A161 HydrophobicContact CG-CB 4.13Å; P128-A161 WeakPolarHBondContact CG-O 3.37Å; P128-V166 WeakPolarHBondContact CD-O 2.98Å; P128-V166 VanDerWaalsContact CG-O 3.27Å; P128-V166 WeakPolarHBondContact CG-O 3.07Å
129	W	96.5	Very high	98.2	Very high	122 Å²	122	31.9 Å²	31.9	46%	0.462	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	131.5	-167.5	-172.9	-117	0	0	0	111.8	V32 L45 R51 Q52 A54 V127 V131	V32-W129 HydrophobicContact CG2-CE3 4.38Å; V32-W129 HydrophobicContact CG2-CH2 3.49Å; V32-W129 VanDerWaalsContact CG2-CH2 3.49Å; V32-W129 HydrophobicContact CG2-CZ3 3.36Å; L45-W129 HydrophobicContact CD1-CB 3.9Å; L45-W129 HydrophobicContact CD1-CD2 3.84Å; L45-W129 HydrophobicContact CD1-CE3 3.92Å; L45-W129 HydrophobicContact CD1-CG 3.86Å; R51-W129 VanDerWaalsContact CZ-O 3.31Å; R51-W129 PolarHBondContact NH1-O 3.25Å; R51-W129 PolarHBondContact NH2-O 2.99Å; Q52-W129 HydrophobicContact CB-CB 3.7Å; Q52-W129 HydrophobicContact CB-CG 4.38Å; Q52-W129 WeakPolarHBondContact O-CB 3.45Å; Q52-W129 PolarHBondContact O-N 3.33Å; A54-W129 HydrophobicContact CB-CE3 4.05Å; A54-W129 HydrophobicContact CB-CZ3 4.41Å; V127-W129 PolarHBondContact O-N 2.89Å; W129-V131 VanDerWaalsContact C-N 3.35Å
130	G	95	Very high	98.3	Very high	63 Å²	63	30.1 Å²	30.1	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	3.3	177.8	0	0	0	0	0	115.7	P128	P128-G130 PolarHBondContact O-N 3.42Å
131	V	97.5	Very high	98.3	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.109	15%	0.148	C	C	.	.			trans	-62.5	150.3	173.9	-64.5	0	0	0	0	111.8	V127 P128 W129 A134 D165 I167	V127-V131 HydrophobicContact CG1-CG2 3.94Å; P128-V131 HydrophobicContact CB-CG1 3.71Å; P128-V131 HydrophobicContact CG-CG1 4.26Å; P128-V131 VanDerWaalsContact O-CG1 3.31Å; P128-V131 WeakPolarHBondContact O-CG1 3.21Å; P128-V131 VanDerWaalsContact O-CG2 3.23Å; P128-V131 WeakPolarHBondContact O-CG2 3.36Å; P128-V131 PolarHBondContact O-N 2.89Å; W129-V131 VanDerWaalsContact C-N 3.35Å; V131-A134 HydrophobicContact CB-CB 4.01Å; V131-A134 HydrophobicContact CG2-CB 3.96Å; V131-D165 WeakPolarHBondContact CG1-OD1 3.38Å; V131-I167 HydrophobicContact CG2-CD1 4.49Å; V131-I167 HydrophobicContact CG2-CG1 4.36Å
132	R	97.4	Very high	98.3	Very high	226 Å²	226	30.1 Å²	30.1	85%	0.853	15%	0.149	S	C	*	.			trans	-139.5	141	174.4	-64.6	-173.1	177.5	-145.3	-1.2	109.1	A134 G212	R132-A134 PolarHBondContact O-N 3.39Å; R132-G212 CarbonylContact C-O 3.55Å; R132-G212 VanDerWaalsContact C-O 3.3Å
133	N	98	Very high	98.2	Very high	101 Å²	101	27.6 Å²	27.6	54%	0.54	14%	0.142	S	C	.	.	S	Bend	trans	54.8	33.1	179.5	-163.3	36.9	0	0	0	113	G212 N214	N133-G212 PolarHBondContact N-O 3.49Å; N133-N214 VanDerWaalsContact OD1-CB 3.3Å; N133-N214 WeakPolarHBondContact OD1-CB 3.42Å; N133-N214 PolarHBondContact OD1-ND2 3.05Å
134	A	98.6	Very high	98.1	Very high	12 Å²	12	27.6 Å²	27.6	10%	0.099	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	151.1	-172	0	0	0	0	0	112.6	V131 R132 I167 G212 G213 N214	V131-A134 HydrophobicContact CB-CB 4.01Å; V131-A134 HydrophobicContact CG2-CB 3.96Å; R132-A134 PolarHBondContact O-N 3.39Å; A134-I167 HydrophobicContact CB-CG1 4.25Å; A134-G212 PolarHBondContact N-O 3.09Å; A134-G213 CarbonylContact O-C 3.3Å; A134-N214 PolarHBondContact O-N 3.12Å
135	T	98.8	Very high	98.1	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.049	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.3	168	-55.7	0	0	0	0	109.9	L137 I167 A504 T505	T135-L137 HydrophobicContact CG2-CD1 4.01Å; T135-I167 PolarHBondContact O-N 3.44Å; T135-A504 HydrophobicContact CG2-CB 3.85Å; T135-T505 WeakPolarHBondContact CB-OG1 3.41Å; T135-T505 WeakPolarHBondContact OG1-CB 3.38Å; T135-T505 WeakPolarHBondContact OG1-CG2 3.25Å; T135-T505 PolarHBondContact OG1-OG1 3.33Å
136	V	98.9	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.8	179.3	-172.6	0	0	0	0	108.5	V138 I167 V169 I204 I208 K217 V218 C219	V136-V138 HydrophobicContact CG1-CG2 4.03Å; V136-I167 CarbonylContact C-O 3.59Å; V136-I167 WeakPolarHBondContact CA-O 3.01Å; V136-I167 HydrophobicContact CG1-CG2 4.49Å; V136-I167 HydrophobicContact CG2-CB 4.43Å; V136-V169 HydrophobicContact CG1-CG2 4.07Å; V136-I204 HydrophobicContact CG1-CG2 4.19Å; V136-I208 HydrophobicContact CG1-CD1 4.45Å; V136-I208 HydrophobicContact CG1-CG1 4.11Å; V136-I208 HydrophobicContact CG2-CG1 3.65Å; V136-I208 HydrophobicContact CG2-CG2 4.22Å; V136-K217 PolarHBondContact N-O 3.18Å; V136-V218 HydrophobicContact CB-CG2 4.28Å; V136-V218 WeakPolarHBondContact O-CA 3.45Å; V136-C219 PolarHBondContact O-N 3.43Å
137	L	98.9	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.3	170.3	-83.1	73.3	0	0	0	108.7	T135 L160 V166 I167 V168 V169 C219 F221 T501 A504	T135-L137 HydrophobicContact CG2-CD1 4.01Å; L137-L160 HydrophobicContact CD2-CD2 4.38Å; L137-V166 HydrophobicContact CD1-CB 3.82Å; L137-V166 HydrophobicContact CD1-CG1 3.93Å; L137-V166 HydrophobicContact CD1-CG2 3.75Å; L137-I167 PolarHBondContact N-O 3.04Å; L137-V168 WeakPolarHBondContact O-CA 3.31Å; L137-V169 PolarHBondContact O-N 3.35Å; L137-C219 WeakPolarHBondContact CA-O 3.4Å; L137-F221 HydrophobicContact CB-CD1 3.94Å; L137-F221 HydrophobicContact CB-CE1 3.6Å; L137-F221 HydrophobicContact CB-CZ 4.33Å; L137-F221 HydrophobicContact CD2-CD1 4.44Å; L137-F221 HydrophobicContact CD2-CE1 4.38Å; L137-F221 HydrophobicContact CG-CD1 4.44Å; L137-F221 HydrophobicContact CG-CE1 4.45Å; L137-T501 HydrophobicContact CD2-CG2 4.39Å; L137-A504 HydrophobicContact CD1-CB 3.41Å; L137-A504 VanDerWaalsContact CD1-CB 3.41Å; L137-A504 HydrophobicContact CD2-CB 4.29Å; L137-A504 HydrophobicContact CG-CB 3.8Å
138	V	99	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.6	-179.8	-171.2	0	0	0	0	110	V136 V169 L171 L201 I204 V218 C219 L220 F221	V136-V138 HydrophobicContact CG1-CG2 4.03Å; V138-V169 CarbonylContact C-O 3.59Å; V138-V169 VanDerWaalsContact CA-O 3.27Å; V138-V169 WeakPolarHBondContact CA-O 3.46Å; V138-L171 HydrophobicContact CG1-CD2 3.79Å; V138-L201 HydrophobicContact CB-CD2 4.34Å; V138-L201 HydrophobicContact CG1-CD2 3.9Å; V138-L201 HydrophobicContact CG2-CD2 4.4Å; V138-I204 HydrophobicContact CB-CD1 4.31Å; V138-I204 HydrophobicContact CG1-CD1 3.78Å; V138-I204 HydrophobicContact CG2-CD1 3.5Å; V138-V218 HydrophobicContact CG2-CG1 3.77Å; V138-C219 PolarHBondContact N-O 3.39Å; V138-L220 HydrophobicContact CB-CD2 3.84Å; V138-L220 HydrophobicContact CG1-CD2 4.4Å; V138-L220 HydrophobicContact CG2-CD2 4.35Å; V138-F221 VanDerWaalsContact C-CD1 3.43Å; V138-F221 VanDerWaalsContact C-CE1 3.41Å; V138-F221 VanDerWaalsContact O-CD1 3.24Å; V138-F221 WeakPolarHBondContact O-CD1 3.43Å; V138-F221 PolarHBondContact O-N 3.33Å; V138-F221 VanDerWaalsContact O-O 3.12Å
139	W	98.9	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.9	-179.6	-179.9	-119.3	0	0	0	111.1	Y155 V169 N170 F221 E223 I471 F475	W139-Y155 AromaticContact CE2-CD1 3.87Å; W139-Y155 AromaticContact CE2-CE1 3.65Å; W139-Y155 HydrophobicContact CZ2-CD1 4.07Å; W139-Y155 AromaticContact CZ2-CE1 3.47Å; W139-Y155 HydrophobicContact CZ2-CE1 3.47Å; W139-Y155 VanDerWaalsContact CZ2-CE1 3.47Å; W139-Y155 AromaticContact NE1-CD1 3.37Å; W139-Y155 AromaticContact NE1-CD2 3.78Å; W139-Y155 AromaticContact NE1-CE1 3.36Å; W139-Y155 AromaticContact NE1-CE2 3.77Å; W139-Y155 AromaticContact NE1-CG 3.61Å; W139-Y155 AromaticContact NE1-CZ 3.59Å; W139-V169 PolarHBondContact N-O 2.87Å; W139-N170 HydrophobicContact CB-CB 3.7Å; W139-N170 HydrophobicContact CG-CB 4.24Å; W139-F221 CarbonylContact C-O 3.54Å; W139-F221 VanDerWaalsContact CA-O 3.26Å; W139-F221 WeakPolarHBondContact CA-O 3.26Å; W139-F221 HydrophobicContact CB-CD1 4.35Å; W139-F221 HydrophobicContact CB-CE1 3.62Å; W139-F221 HydrophobicContact CB-CE2 4.38Å; W139-F221 HydrophobicContact CB-CZ 3.65Å; W139-F221 HydrophobicContact CD2-CD2 4.44Å; W139-F221 HydrophobicContact CD2-CE2 4.14Å; W139-F221 HydrophobicContact CD2-CZ 4.29Å; W139-F221 HydrophobicContact CE3-CB 4.49Å; W139-F221 HydrophobicContact CE3-CD1 4.23Å; W139-F221 AromaticContact CE3-CD2 3.3Å; W139-F221 HydrophobicContact CE3-CD2 3.3Å; W139-F221 HydrophobicContact CE3-CE1 4.24Å; W139-F221 AromaticContact CE3-CE2 3.34Å; W139-F221 HydrophobicContact CE3-CE2 3.34Å; W139-F221 AromaticContact CE3-CG 3.76Å; W139-F221 HydrophobicContact CE3-CG 3.76Å; W139-F221 AromaticContact CE3-CZ 3.83Å; W139-F221 HydrophobicContact CE3-CZ 3.83Å; W139-F221 VanDerWaalsContact CE3-O 3.25Å; W139-F221 HydrophobicContact CG-CZ 4.28Å; W139-F221 AromaticContact CZ3-CD2 3.6Å; W139-F221 HydrophobicContact CZ3-CD2 3.6Å; W139-F221 AromaticContact CZ3-CE2 3.9Å; W139-F221 HydrophobicContact CZ3-CE2 3.9Å; W139-F221 HydrophobicContact CZ3-CG 4.27Å; W139-F221 VanDerWaalsContact N-CE1 3.26Å; W139-E223 HydrophobicContact CH2-CB 3.54Å; W139-E223 HydrophobicContact CZ2-CB 4.11Å; W139-E223 HydrophobicContact CZ3-CB 4.42Å; W139-I471 HydrophobicContact CH2-CD1 3.98Å; W139-I471 HydrophobicContact CH2-CG1 4.09Å; W139-I471 HydrophobicContact CZ2-CD1 3.96Å; W139-I471 HydrophobicContact CZ2-CG1 4.45Å; W139-F475 HydrophobicContact CB-CZ 4.09Å; W139-F475 AromaticContact CD1-CZ 3.84Å; W139-F475 AromaticContact CD2-CE2 3.81Å; W139-F475 HydrophobicContact CD2-CE2 3.81Å; W139-F475 AromaticContact CD2-CZ 3.63Å; W139-F475 HydrophobicContact CD2-CZ 3.63Å; W139-F475 AromaticContact CE2-CE2 3.81Å; W139-F475 AromaticContact CE2-CZ 3.9Å; W139-F475 HydrophobicContact CE3-CE2 4.05Å; W139-F475 HydrophobicContact CE3-CZ 4.14Å; W139-F475 HydrophobicContact CG-CE2 4.28Å; W139-F475 AromaticContact CG-CZ 3.61Å; W139-F475 HydrophobicContact CG-CZ 3.61Å; W139-F475 HydrophobicContact CH2-CE2 4.23Å; W139-F475 HydrophobicContact CZ2-CE2 4.05Å; W139-F475 HydrophobicContact CZ3-CE2 4.23Å; W139-F475 AromaticContact NE1-CZ 3.97Å
140	L	98.9	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.8	166	-56.2	-179	0	0	0	107.3	L171 Q197 F221 G222 E223 G226 I230	L140-L171 HydrophobicContact CD2-CD1 3.75Å; L140-L171 HydrophobicContact CD2-CD2 3.99Å; L140-L171 HydrophobicContact CD2-CG 3.9Å; L140-Q197 HydrophobicContact CD2-CB 4.37Å; L140-Q197 HydrophobicContact CD2-CG 4.16Å; L140-F221 PolarHBondContact N-O 3.04Å; L140-G222 WeakPolarHBondContact O-CA 3.38Å; L140-E223 PolarHBondContact O-N 2.89Å; L140-G226 WeakPolarHBondContact O-CA 3.32Å; L140-I230 HydrophobicContact CD1-CG1 4.05Å
141	Y	98.7	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.			trans	-73.5	159.6	-176.7	56.8	-94.5	0	0	0	112.4	P150 L171 Y173 M175 G226	Y141-P150 HydrophobicContact CD1-CB 4.38Å; Y141-P150 HydrophobicContact CE1-CB 4.4Å; Y141-P150 VanDerWaalsContact CE1-CD 3.48Å; Y141-P150 HydrophobicContact CE1-CG 4.41Å; Y141-L171 WeakPolarHBondContact CE1-O 3.44Å; Y141-Y173 AromaticContact CD1-CE1 3.96Å; Y141-Y173 HydrophobicContact CD1-CE1 3.96Å; Y141-Y173 AromaticContact CD2-CE1 3.85Å; Y141-Y173 HydrophobicContact CD2-CE1 3.85Å; Y141-Y173 AromaticContact CD2-CZ 3.97Å; Y141-Y173 AromaticContact CE1-CD1 3.79Å; Y141-Y173 HydrophobicContact CE1-CD1 3.79Å; Y141-Y173 AromaticContact CE1-CE1 3.54Å; Y141-Y173 HydrophobicContact CE1-CE1 3.54Å; Y141-Y173 HydrophobicContact CE2-CD1 4.22Å; Y141-Y173 AromaticContact CE2-CE1 3.43Å; Y141-Y173 HydrophobicContact CE2-CE1 3.43Å; Y141-Y173 VanDerWaalsContact CE2-CE1 3.43Å; Y141-Y173 HydrophobicContact CE2-CE2 4.35Å; Y141-Y173 AromaticContact CE2-CZ 3.48Å; Y141-Y173 VanDerWaalsContact CE2-CZ 3.48Å; Y141-Y173 WeakPolarHBondContact CE2-OH 3.32Å; Y141-Y173 HydrophobicContact CG-CE1 4.09Å; Y141-Y173 AromaticContact CZ-CD1 3.6Å; Y141-Y173 AromaticContact CZ-CE1 3.26Å; Y141-Y173 AromaticContact CZ-CZ 3.76Å; Y141-Y173 PolarHBondContact O-OH 3.45Å; Y141-Y173 PolarHBondContact OH-N 3.16Å; Y141-Y173 PolarHBondContact OH-O 2.94Å; Y141-M175 HydrophobicContact CE2-CE 4.27Å; Y141-M175 HydrophobicContact CE2-SD 3.57Å; Y141-M175 VanDerWaalsContact CE2-SD 3.57Å; Y141-G226 WeakPolarHBondContact O-CA 3.46Å; Y141-G226 PolarHBondContact O-N 2.9Å
142	G	98.2	Very high	98.1	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	9%	0.094	C	C	.	.			trans	-86.2	-150.2	176.6	0	0	0	0	0	114	E223	G142-E223 WeakPolarHBondContact CA-O 3.48Å; G142-E223 PolarHBondContact N-O 3.26Å
143	G	97.1	Very high	98.1	Very high	11 Å²	11	14.5 Å²	14.5	11%	0.113	8%	0.08	C	C	.	.	S	Bend	trans	102	29.2	178.5	0	0	0	0	0	115	F145 W146 Y147	G143-F145 PolarHBondContact O-N 3.09Å; G143-W146 PolarHBondContact O-N 2.8Å; G143-W146 VanDerWaalsContact O-N 3.15Å; G143-Y147 VanDerWaalsContact CA-CE1 3.41Å; G143-Y147 WeakPolarHBondContact CA-O 3.45Å; G143-Y147 WeakPolarHBondContact O-CD1 3.17Å; G143-Y147 WeakPolarHBondContact O-CE1 3.23Å; G143-Y147 PolarHBondContact O-N 3.34Å
144	G	96.8	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	24	169.6	0	0	0	0	0	115	W146 F312	G144-W146 PolarHBondContact O-N 3.5Å; G144-W146 VanDerWaalsContact O-N 3.12Å; G144-F312 VanDerWaalsContact CA-CE2 3.47Å; G144-F312 WeakPolarHBondContact O-CB 3.4Å; G144-F312 WeakPolarHBondContact O-CD2 3.15Å; G144-F312 WeakPolarHBondContact O-CG 3.24Å
145	F	98.2	Very high	98	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	8.6	-175.3	-55.4	-73.8	0	0	0	116	G143 Y173 M175 G176 F180 A225 A228 W257 V315 I316	G143-F145 PolarHBondContact O-N 3.09Å; F145-Y173 HydrophobicContact CD1-CE2 4.49Å; F145-M175 CarbonylContact O-C 3.52Å; F145-M175 WeakPolarHBondContact O-CA 3.41Å; F145-M175 WeakPolarHBondContact O-CB 3.23Å; F145-G176 PolarHBondContact O-N 3.12Å; F145-F180 HydrophobicContact CB-CD2 3.96Å; F145-F180 HydrophobicContact CB-CE2 3.75Å; F145-F180 HydrophobicContact CB-CZ 4.29Å; F145-F180 HydrophobicContact CD1-CE1 4.17Å; F145-F180 AromaticContact CD1-CE2 3.69Å; F145-F180 HydrophobicContact CD1-CE2 3.69Å; F145-F180 AromaticContact CD1-CZ 3.43Å; F145-F180 HydrophobicContact CD1-CZ 3.43Å; F145-F180 VanDerWaalsContact CD1-CZ 3.43Å; F145-F180 HydrophobicContact CE1-CZ 4.05Å; F145-F180 HydrophobicContact CG-CE2 4.09Å; F145-F180 HydrophobicContact CG-CZ 4.12Å; F145-A225 HydrophobicContact CD1-CB 3.87Å; F145-A225 HydrophobicContact CD2-CB 3.87Å; F145-A225 HydrophobicContact CE1-CB 3.7Å; F145-A225 HydrophobicContact CE2-CB 3.69Å; F145-A225 HydrophobicContact CG-CB 3.96Å; F145-A225 HydrophobicContact CZ-CB 3.6Å; F145-A225 WeakPolarHBondContact CZ-O 3.39Å; F145-A228 HydrophobicContact CZ-CB 4.16Å; F145-W257 HydrophobicContact CE2-CE3 4.43Å; F145-W257 HydrophobicContact CE2-CZ3 4.16Å; F145-V315 HydrophobicContact CB-CG1 4.41Å; F145-V315 HydrophobicContact CD2-CB 3.92Å; F145-V315 HydrophobicContact CD2-CG1 3.92Å; F145-I316 HydrophobicContact CE1-CD1 3.95Å; F145-I316 HydrophobicContact CE1-CG1 4.05Å; F145-I316 HydrophobicContact CE2-CD1 4.23Å; F145-I316 HydrophobicContact CE2-CG1 4.28Å; F145-I316 HydrophobicContact CZ-CD1 3.5Å; F145-I316 VanDerWaalsContact CZ-CD1 3.5Å; F145-I316 HydrophobicContact CZ-CG1 3.83Å
146	W	96.9	Very high	98	Very high	30 Å²	30	10.3 Å²	10.3	11%	0.114	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-20.6	-179.2	71.7	-90.9	0	0	0	114	D98 G143 G144 I302 W303 F312	D98-W146 HydrophobicContact CB-CH2 4.42Å; G143-W146 PolarHBondContact O-N 2.8Å; G143-W146 VanDerWaalsContact O-N 3.15Å; G144-W146 PolarHBondContact O-N 3.5Å; G144-W146 VanDerWaalsContact O-N 3.12Å; W146-I302 HydrophobicContact CB-CD1 4.45Å; W146-W303 HydrophobicContact CD2-CH2 4.05Å; W146-W303 AromaticContact CD2-CZ2 3.59Å; W146-W303 HydrophobicContact CD2-CZ2 3.59Å; W146-W303 AromaticContact CE2-CH2 3.94Å; W146-W303 AromaticContact CE2-CZ2 3.77Å; W146-W303 AromaticContact CE3-CZ2 3.75Å; W146-W303 HydrophobicContact CE3-CZ2 3.75Å; W146-W303 HydrophobicContact CG-CH2 4.21Å; W146-W303 HydrophobicContact CG-CZ2 4.08Å; W146-W303 HydrophobicContact CH2-CZ2 4.3Å; W146-W303 HydrophobicContact CZ2-CH2 4.46Å; W146-W303 HydrophobicContact CZ2-CZ2 4.14Å; W146-W303 HydrophobicContact CZ3-CZ2 4.12Å; W146-F312 AromaticContact CD1-CD1 3.58Å; W146-F312 AromaticContact NE1-CD1 3.73Å; W146-F312 AromaticContact NE1-CE1 3.76Å
147	Y	96.6	Very high	98	Very high	21 Å²	21	10.3 Å²	10.3	8%	0.082	6%	0.055	C	C	.	.	S	Bend	trans	-148.3	169.7	174.6	81.2	-63.4	0	0	0	110.7	Q95 W110 G143 M175	Q95-Y147 VanDerWaalsContact OE1-CB 3.25Å; W110-Y147 HydrophobicContact CB-CE2 3.89Å; G143-Y147 VanDerWaalsContact CA-CE1 3.41Å; G143-Y147 WeakPolarHBondContact CA-O 3.45Å; G143-Y147 WeakPolarHBondContact O-CD1 3.17Å; G143-Y147 WeakPolarHBondContact O-CE1 3.23Å; G143-Y147 PolarHBondContact O-N 3.34Å; Y147-M175 VanDerWaalsContact O-SD 3.42Å
148	G	97.4	Very high	97.9	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	7%	0.066	C	C	.	.			trans	127.8	163.1	-175.9	0	0	0	0	0	112.2	Q95 M175	Q95-G148 PolarHBondContact NE2-O 3.23Å; Q95-G148 PolarHBondContact OE1-O 2.84Å; G148-M175 VanDerWaalsContact O-CE 3.26Å; G148-M175 WeakPolarHBondContact O-CE 3.25Å
149	T	98.4	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.			trans	-161.7	148.4	178.5	175	0	0	0	0	109.8	S92 A112 S151 L152 Y155	S92-T149 WeakPolarHBondContact OG-CB 3.37Å; S92-T149 WeakPolarHBondContact OG-CG2 3.36Å; S92-T149 PolarHBondContact OG-OG1 3.06Å; A112-T149 HydrophobicContact CB-CG2 4.23Å; T149-S151 PolarHBondContact O-N 2.8Å; T149-S151 PolarHBondContact OG1-N 2.9Å; T149-L152 HydrophobicContact CG2-CD2 3.51Å; T149-L152 HydrophobicContact CG2-CG 3.57Å; T149-Y155 WeakPolarHBondContact O-CD2 3.37Å; T149-Y155 VanDerWaalsContact O-CE2 3.24Å; T149-Y155 WeakPolarHBondContact O-CE2 3.44Å
150	P	98.2	Very high	97.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.9	171.7	31.7	-36	0	0	0	112.3	A90 Y141 N170 N172	A90-P150 HydrophobicContact CB-CG 4.27Å; Y141-P150 HydrophobicContact CD1-CB 4.38Å; Y141-P150 HydrophobicContact CE1-CB 4.4Å; Y141-P150 VanDerWaalsContact CE1-CD 3.48Å; Y141-P150 HydrophobicContact CE1-CG 4.41Å; P150-N170 HydrophobicContact CB-CB 3.91Å; P150-N170 VanDerWaalsContact CB-CG 3.43Å; P150-N170 WeakPolarHBondContact CB-OD1 3.41Å; P150-N170 PolarHBondContact O-ND2 3.49Å; P150-N172 WeakPolarHBondContact CD-OD1 3.38Å; P150-N172 HydrophobicContact CG-CB 4.28Å
151	S	98.5	Very high	97.9	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.014	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	4	-171.7	-62	0	0	0	0	114.7	A90 N113 N124 T149	A90-S151 PolarHBondContact N-OG 3.33Å; A90-S151 WeakPolarHBondContact O-CB 3.49Å; A90-S151 PolarHBondContact O-OG 3.14Å; N113-S151 PolarHBondContact ND2-O 3.01Å; N113-S151 PolarHBondContact OD1-O 2.86Å; N124-S151 PolarHBondContact ND2-OG 3.05Å; T149-S151 PolarHBondContact O-N 2.8Å; T149-S151 PolarHBondContact OG1-N 2.9Å
152	L	98.2	Very high	97.9	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.031	7%	0.07	C	C	.	.	S	Bend	trans	-57.6	143.4	173.3	-64.2	-175.7	0	0	0	110.3	W110 N111 T149 I154 Y155	W110-L152 HydrophobicContact CE3-CD1 4.15Å; N111-L152 WeakPolarHBondContact O-CD2 3.35Å; T149-L152 HydrophobicContact CG2-CD2 3.51Å; T149-L152 HydrophobicContact CG2-CG 3.57Å; L152-I154 HydrophobicContact CB-CG2 3.88Å; L152-I154 HydrophobicContact CD1-CG2 4.28Å; L152-I154 PolarHBondContact O-N 2.83Å; L152-I154 VanDerWaalsContact O-N 3.11Å; L152-Y155 HydrophobicContact CB-CD2 3.73Å; L152-Y155 HydrophobicContact CB-CE2 4Å; L152-Y155 HydrophobicContact CB-CG 4.36Å; L152-Y155 HydrophobicContact CD1-CD2 4.23Å; L152-Y155 HydrophobicContact CD1-CE2 3.61Å; L152-Y155 HydrophobicContact CG-CD2 4.14Å; L152-Y155 HydrophobicContact CG-CE2 3.98Å; L152-Y155 PolarHBondContact O-N 3.03Å
153	D	97	Very high	97.8	Very high	106 Å²	106	17.6 Å²	17.6	57%	0.567	9%	0.088	S	C	*	.	G	3₁₀ helix	trans	-57.3	-30.9	-179.4	-63.7	-20.5	0	0	0	112.3	N113 Y155 D156	N113-D153 PolarHBondContact ND2-N 3.46Å; N113-D153 PolarHBondContact ND2-OD1 3.4Å; D153-Y155 PolarHBondContact O-N 3.14Å; D153-D156 WeakPolarHBondContact O-CB 3.29Å; D153-D156 PolarHBondContact O-N 3.23Å
154	I	96.9	Very high	97.8	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.036	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-67.1	-21	176.1	-169.1	166.3	0	0	0	113.6	M109 W110 L152 I471 E472 F475 L477	M109-I154 HydrophobicContact CE-CD1 3.72Å; W110-I154 HydrophobicContact CH2-CD1 3.77Å; W110-I154 HydrophobicContact CZ3-CD1 4.1Å; W110-I154 HydrophobicContact CZ3-CG2 4.11Å; L152-I154 HydrophobicContact CB-CG2 3.88Å; L152-I154 HydrophobicContact CD1-CG2 4.28Å; L152-I154 PolarHBondContact O-N 2.83Å; L152-I154 VanDerWaalsContact O-N 3.11Å; I154-I471 HydrophobicContact CD1-CB 4.13Å; I154-I471 HydrophobicContact CD1-CG2 3.87Å; I154-I471 HydrophobicContact CG1-CB 4.49Å; I154-I471 HydrophobicContact CG1-CG2 3.73Å; I154-E472 HydrophobicContact CD1-CB 4.5Å; I154-E472 HydrophobicContact CD1-CG 3.57Å; I154-E472 HydrophobicContact CG1-CG 4.32Å; I154-F475 WeakPolarHBondContact O-CB 3.5Å; I154-F475 VanDerWaalsContact O-CG 3.28Å; I154-F475 WeakPolarHBondContact O-CG 3.35Å; I154-L477 HydrophobicContact CB-CD1 4.21Å; I154-L477 HydrophobicContact CD1-CD1 4.47Å; I154-L477 HydrophobicContact CG1-CD1 3.83Å; I154-L477 HydrophobicContact CG1-CG 4.4Å
155	Y	98.3	Very high	97.8	Very high	7 Å²	7	22 Å²	22	3%	0.027	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-98.3	18.2	179.3	-55.3	-36.9	0	0	0	113.3	W126 W139 T149 L152 D153 G157 N170 I471 F475	W126-Y155 VanDerWaalsContact CH2-O 3.27Å; W126-Y155 WeakPolarHBondContact CH2-O 3.23Å; W139-Y155 AromaticContact CE2-CD1 3.87Å; W139-Y155 AromaticContact CE2-CE1 3.65Å; W139-Y155 HydrophobicContact CZ2-CD1 4.07Å; W139-Y155 AromaticContact CZ2-CE1 3.47Å; W139-Y155 HydrophobicContact CZ2-CE1 3.47Å; W139-Y155 VanDerWaalsContact CZ2-CE1 3.47Å; W139-Y155 AromaticContact NE1-CD1 3.37Å; W139-Y155 AromaticContact NE1-CD2 3.78Å; W139-Y155 AromaticContact NE1-CE1 3.36Å; W139-Y155 AromaticContact NE1-CE2 3.77Å; W139-Y155 AromaticContact NE1-CG 3.61Å; W139-Y155 AromaticContact NE1-CZ 3.59Å; T149-Y155 WeakPolarHBondContact O-CD2 3.37Å; T149-Y155 VanDerWaalsContact O-CE2 3.24Å; T149-Y155 WeakPolarHBondContact O-CE2 3.44Å; L152-Y155 HydrophobicContact CB-CD2 3.73Å; L152-Y155 HydrophobicContact CB-CE2 4Å; L152-Y155 HydrophobicContact CB-CG 4.36Å; L152-Y155 HydrophobicContact CD1-CD2 4.23Å; L152-Y155 HydrophobicContact CD1-CE2 3.61Å; L152-Y155 HydrophobicContact CG-CD2 4.14Å; L152-Y155 HydrophobicContact CG-CE2 3.98Å; L152-Y155 PolarHBondContact O-N 3.03Å; D153-Y155 PolarHBondContact O-N 3.14Å; Y155-G157 PolarHBondContact O-N 2.86Å; Y155-N170 PolarHBondContact O-ND2 3.15Å; Y155-I471 HydrophobicContact CD1-CG2 3.97Å; Y155-I471 HydrophobicContact CE1-CD1 4.15Å; Y155-I471 HydrophobicContact CE1-CG2 3.68Å; Y155-F475 HydrophobicContact CD1-CD2 4.1Å; Y155-F475 AromaticContact CD1-CE2 3.66Å; Y155-F475 HydrophobicContact CD1-CE2 3.66Å; Y155-F475 AromaticContact CD1-CZ 3.91Å; Y155-F475 HydrophobicContact CD1-CZ 3.91Å; Y155-F475 HydrophobicContact CE1-CE2 4.36Å; Y155-F475 HydrophobicContact CG-CZ 4.38Å; Y155-F475 WeakPolarHBondContact O-CE1 3.41Å
156	D	97.9	Very high	97.9	Very high	19 Å²	19	22 Å²	22	10%	0.102	11%	0.114	C	C	.	.			trans	-63.6	99.3	171.5	-175.2	-8.2	0	0	0	110.7	D153 R158 L480	D153-D156 WeakPolarHBondContact O-CB 3.29Å; D153-D156 PolarHBondContact O-N 3.23Å; D156-R158 PolarHBondContact O-N 3.24Å; D156-R158 VanDerWaalsContact O-N 3.12Å; D156-R158 VanDerWaalsContact OD1-CB 3.23Å; D156-R158 WeakPolarHBondContact OD1-CB 3.33Å; D156-R158 WeakPolarHBondContact OD1-CG 3.49Å; D156-R158 PolarHBondContact OD1-N 2.87Å; D156-R158 VanDerWaalsContact OD1-N 3.09Å; D156-R158 IonicContact OD1-NE 3.66Å; D156-R158 PolarHBondContact OD1-NE 3.19Å; D156-R158 IonicContact OD2-CZ 3.71Å; D156-R158 IonicContact OD2-NE 2.96Å; D156-R158 PolarHBondContact OD2-NE 2.98Å; D156-R158 IonicContact OD2-NH2 3.65Å; D156-R158 PolarHBondContact OD2-NH2 2.85Å; D156-L480 HydrophobicContact CB-CD1 3.86Å
157	G	98.4	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	2.7	-176	0	0	0	0	0	115.1	Y155 A159 A161	Y155-G157 PolarHBondContact O-N 2.86Å; G157-A159 PolarHBondContact O-N 3.41Å; G157-A161 VanDerWaalsContact O-CB 3.23Å; G157-A161 WeakPolarHBondContact O-CB 3.42Å; G157-A161 PolarHBondContact O-N 3.04Å
158	R	98.3	Very high	98.1	Very high	59 Å²	59	19.6 Å²	19.6	22%	0.223	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-49.3	-177.4	-79.6	-176.8	-62.7	168.7	5.9	113.1	E46 V48 W126 D156 A162 L480	E46-R158 IonicContact OE1-NH1 2.75Å; V48-R158 HydrophobicContact CG1-CB 4.01Å; V48-R158 HydrophobicContact CG2-CB 3.9Å; V48-R158 HydrophobicContact CG2-CG 4.17Å; W126-R158 HydrophobicContact CG-CG 4.18Å; D156-R158 PolarHBondContact O-N 3.24Å; D156-R158 VanDerWaalsContact O-N 3.12Å; D156-R158 VanDerWaalsContact OD1-CB 3.23Å; D156-R158 WeakPolarHBondContact OD1-CB 3.33Å; D156-R158 WeakPolarHBondContact OD1-CG 3.49Å; D156-R158 PolarHBondContact OD1-N 2.87Å; D156-R158 VanDerWaalsContact OD1-N 3.09Å; D156-R158 IonicContact OD1-NE 3.66Å; D156-R158 PolarHBondContact OD1-NE 3.19Å; D156-R158 IonicContact OD2-CZ 3.71Å; D156-R158 IonicContact OD2-NE 2.96Å; D156-R158 PolarHBondContact OD2-NE 2.98Å; D156-R158 IonicContact OD2-NH2 3.65Å; D156-R158 PolarHBondContact OD2-NH2 2.85Å; R158-A162 VanDerWaalsContact O-CB 3.23Å; R158-A162 WeakPolarHBondContact O-CB 3.48Å; R158-A162 PolarHBondContact O-N 3.17Å; R158-L480 HydrophobicContact CB-CD2 4.22Å
159	A	98.2	Very high	98.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-70.8	-43.4	-177.9	0	0	0	0	0	111.8	G157 A161 A162 E163 L479 L480	G157-A159 PolarHBondContact O-N 3.41Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 2.77Å; A159-A162 PolarHBondContact O-N 3.14Å; A159-E163 VanDerWaalsContact O-CB 3.3Å; A159-E163 WeakPolarHBondContact O-CB 3.48Å; A159-E163 PolarHBondContact O-N 3.49Å; A159-L479 HydrophobicContact CB-CB 4.07Å; A159-L479 HydrophobicContact CB-CD1 4.46Å; A159-L480 HydrophobicContact CB-CD1 4.24Å; A159-L480 HydrophobicContact CB-CD2 3.76Å; A159-L480 HydrophobicContact CB-CG 3.68Å
160	L	98.6	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.1	-44.8	173.7	176.1	56.2	0	0	0	112.2	L137 G164 V168 F221 F475 I497 T501	L137-L160 HydrophobicContact CD2-CD2 4.38Å; L160-G164 WeakPolarHBondContact O-CA 3.24Å; L160-G164 PolarHBondContact O-N 3.42Å; L160-V168 HydrophobicContact CB-CG2 4.08Å; L160-V168 HydrophobicContact CD2-CG1 4.2Å; L160-V168 HydrophobicContact CD2-CG2 3.81Å; L160-V168 HydrophobicContact CG-CG2 3.62Å; L160-F221 HydrophobicContact CD2-CE2 4.03Å; L160-F221 HydrophobicContact CD2-CZ 3.89Å; L160-F475 PolarHBondContact N-O 3.26Å; L160-I497 HydrophobicContact CD1-CB 4.29Å; L160-I497 HydrophobicContact CD1-CG1 4.03Å; L160-I497 HydrophobicContact CD1-CG2 3.78Å; L160-T501 HydrophobicContact CD1-CG2 3.79Å
161	A	98.6	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-48.3	176.1	0	0	0	0	0	111.5	V53 W126 P128 G157 A159 D165 V166 V168	V53-A161 HydrophobicContact CG1-CB 4.47Å; W126-A161 HydrophobicContact CB-CB 3.85Å; P128-A161 HydrophobicContact CG-CB 4.13Å; P128-A161 WeakPolarHBondContact CG-O 3.37Å; G157-A161 VanDerWaalsContact O-CB 3.23Å; G157-A161 WeakPolarHBondContact O-CB 3.42Å; G157-A161 PolarHBondContact O-N 3.04Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 2.77Å; A161-D165 WeakPolarHBondContact O-CA 3.13Å; A161-D165 PolarHBondContact O-N 3.2Å; A161-V166 WeakPolarHBondContact CA-O 3.22Å; A161-V166 WeakPolarHBondContact CB-O 3.44Å; A161-V166 PolarHBondContact O-N 3.08Å; A161-V168 HydrophobicContact CB-CB 4.46Å; A161-V168 HydrophobicContact CB-CG2 3.9Å
162	A	98.2	Very high	98.1	Very high	10 Å²	10	19.3 Å²	19.3	8%	0.083	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-51	-177.9	0	0	0	0	0	113.2	V48 R51 V53 R158 A159	V48-A162 HydrophobicContact CB-CB 4.13Å; V48-A162 HydrophobicContact CG1-CB 4.04Å; R51-A162 HydrophobicContact CB-CB 3.88Å; R51-A162 HydrophobicContact CG-CB 4.25Å; V53-A162 HydrophobicContact CG2-CB 3.85Å; R158-A162 VanDerWaalsContact O-CB 3.23Å; R158-A162 WeakPolarHBondContact O-CB 3.48Å; R158-A162 PolarHBondContact O-N 3.17Å; A159-A162 PolarHBondContact O-N 3.14Å
163	E	97.5	Very high	98.2	Very high	85 Å²	85	19 Å²	19	40%	0.397	10%	0.1	S	C	.	.	H	α-helix	trans	-76.7	-34.4	-175.1	-177.6	67.3	-160.5	0	0	111.7	A159 L479 K494 I497	A159-E163 VanDerWaalsContact O-CB 3.3Å; A159-E163 WeakPolarHBondContact O-CB 3.48Å; A159-E163 PolarHBondContact O-N 3.49Å; E163-L479 HydrophobicContact CB-CD1 4.29Å; E163-L479 HydrophobicContact CG-CD1 4.26Å; E163-K494 HydrophobicContact CG-CG 4.3Å; E163-I497 HydrophobicContact CB-CD1 4.19Å; E163-I497 HydrophobicContact CB-CG2 3.88Å; E163-I497 HydrophobicContact CG-CB 4.31Å; E163-I497 HydrophobicContact CG-CD1 4.25Å; E163-I497 HydrophobicContact CG-CG2 3.78Å
164	G	97.3	Very high	98.3	Very high	18 Å²	18	14.2 Å²	14.2	19%	0.186	7%	0.074	C	C	.	.	H	α-helix	trans	-84.2	-15.4	179.9	0	0	0	0	0	115.7	L160 V166	L160-G164 WeakPolarHBondContact O-CA 3.24Å; L160-G164 PolarHBondContact O-N 3.42Å; G164-V166 PolarHBondContact O-N 3Å
165	D	96.9	Very high	98.3	Very high	85 Å²	85	14 Å²	14	46%	0.455	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	42.7	-168.4	-155.4	48.4	0	0	0	112.6	R51 V131 A161	R51-D165 IonicContact CZ-OD1 3.73Å; R51-D165 IonicContact NE-OD1 3.69Å; R51-D165 PolarHBondContact NE-OD1 3.16Å; R51-D165 IonicContact NH2-OD1 3.77Å; R51-D165 PolarHBondContact NH2-OD1 3.33Å; V131-D165 WeakPolarHBondContact CG1-OD1 3.38Å; A161-D165 WeakPolarHBondContact O-CA 3.13Å; A161-D165 PolarHBondContact O-N 3.2Å
166	V	98.7	Very high	98.3	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.072	C	C	.	.	S	Bend	trans	-122.1	157	178.4	-63.1	0	0	0	0	110.9	P128 L137 A161 G164 V168 T501	P128-V166 WeakPolarHBondContact CD-O 2.98Å; P128-V166 VanDerWaalsContact CG-O 3.27Å; P128-V166 WeakPolarHBondContact CG-O 3.07Å; L137-V166 HydrophobicContact CD1-CB 3.82Å; L137-V166 HydrophobicContact CD1-CG1 3.93Å; L137-V166 HydrophobicContact CD1-CG2 3.75Å; A161-V166 WeakPolarHBondContact CA-O 3.22Å; A161-V166 WeakPolarHBondContact CB-O 3.44Å; A161-V166 PolarHBondContact O-N 3.08Å; G164-V166 PolarHBondContact O-N 3Å; V166-V168 HydrophobicContact CG2-CG2 4.12Å; V166-T501 HydrophobicContact CG1-CG2 4.04Å; V166-T501 HydrophobicContact CG2-CG2 3.7Å
167	I	98.9	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.9	167.5	-58.9	-175.4	0	0	0	108.4	M125 W126 V127 V131 A134 T135 V136 L137 V169 I208 F211 G213	M125-I167 HydrophobicContact CG-CG2 3.8Å; M125-I167 HydrophobicContact SD-CG2 3.97Å; W126-I167 WeakPolarHBondContact O-CA 3.12Å; V127-I167 HydrophobicContact CG1-CD1 4.05Å; V127-I167 HydrophobicContact CG1-CG1 4.15Å; V127-I167 HydrophobicContact CG2-CD1 4.32Å; V127-I167 HydrophobicContact CG2-CG1 4.43Å; V127-I167 HydrophobicContact CG2-CG2 4.11Å; V131-I167 HydrophobicContact CG2-CD1 4.49Å; V131-I167 HydrophobicContact CG2-CG1 4.36Å; A134-I167 HydrophobicContact CB-CG1 4.25Å; T135-I167 PolarHBondContact O-N 3.44Å; V136-I167 CarbonylContact C-O 3.59Å; V136-I167 WeakPolarHBondContact CA-O 3.01Å; V136-I167 HydrophobicContact CG1-CG2 4.49Å; V136-I167 HydrophobicContact CG2-CB 4.43Å; L137-I167 PolarHBondContact N-O 3.04Å; I167-V169 HydrophobicContact CG2-CG2 4.09Å; I167-I208 HydrophobicContact CD1-CG1 4.44Å; I167-I208 HydrophobicContact CG2-CD1 4.1Å; I167-F211 HydrophobicContact CD1-CB 4.3Å; I167-G213 VanDerWaalsContact CD1-CA 3.47Å; I167-G213 VanDerWaalsContact CD1-N 3.34Å
168	V	98.9	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.5	173.5	-178.1	0	0	0	0	108.2	M125 W126 L137 L160 A161 V166 F221	M125-V168 CarbonylContact C-O 3.52Å; M125-V168 VanDerWaalsContact CA-O 3.28Å; M125-V168 WeakPolarHBondContact CA-O 3.24Å; W126-V168 HydrophobicContact CE3-CB 4.12Å; W126-V168 HydrophobicContact CE3-CG1 4Å; W126-V168 HydrophobicContact CZ3-CG1 4.29Å; W126-V168 PolarHBondContact N-O 2.88Å; W126-V168 PolarHBondContact O-N 2.92Å; L137-V168 WeakPolarHBondContact O-CA 3.31Å; L160-V168 HydrophobicContact CB-CG2 4.08Å; L160-V168 HydrophobicContact CD2-CG1 4.2Å; L160-V168 HydrophobicContact CD2-CG2 3.81Å; L160-V168 HydrophobicContact CG-CG2 3.62Å; A161-V168 HydrophobicContact CB-CB 4.46Å; A161-V168 HydrophobicContact CB-CG2 3.9Å; V166-V168 HydrophobicContact CG2-CG2 4.12Å; V168-F221 HydrophobicContact CG1-CZ 4.46Å
169	V	99	Very high	98.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136	173.1	-178.2	0	0	0	0	108.1	L123 N124 M125 V136 L137 V138 W139 I167 I204 I208	L123-V169 HydrophobicContact CB-CG1 4.18Å; L123-V169 HydrophobicContact CD1-CG1 4.1Å; L123-V169 HydrophobicContact CD2-CG1 4.19Å; L123-V169 HydrophobicContact CG-CG1 4.39Å; N124-V169 WeakPolarHBondContact O-CA 3.42Å; M125-V169 HydrophobicContact CB-CG2 4.22Å; M125-V169 HydrophobicContact CG-CG2 3.91Å; M125-V169 HydrophobicContact SD-CG2 4.11Å; V136-V169 HydrophobicContact CG1-CG2 4.07Å; L137-V169 PolarHBondContact O-N 3.35Å; V138-V169 CarbonylContact C-O 3.59Å; V138-V169 VanDerWaalsContact CA-O 3.27Å; V138-V169 WeakPolarHBondContact CA-O 3.46Å; W139-V169 PolarHBondContact N-O 2.87Å; I167-V169 HydrophobicContact CG2-CG2 4.09Å; V169-I204 HydrophobicContact CB-CD1 4.15Å; V169-I204 HydrophobicContact CG1-CD1 3.8Å; V169-I204 HydrophobicContact CG1-CG1 4.37Å; V169-I204 HydrophobicContact CG2-CD1 4.42Å; V169-I208 HydrophobicContact CG2-CD1 4.15Å
170	N	98.7	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140	164.9	65.6	12.7	0	0	0	109.4	L123 N124 W126 W139 P150 Y155	L123-N170 CarbonylContact C-O 3.59Å; L123-N170 WeakPolarHBondContact CA-O 3.25Å; L123-N170 WeakPolarHBondContact CB-O 3.39Å; N124-N170 WeakPolarHBondContact CB-OD1 3.33Å; N124-N170 PolarHBondContact N-O 3.17Å; N124-N170 PolarHBondContact N-OD1 2.88Å; N124-N170 PolarHBondContact ND2-OD1 2.95Å; N124-N170 VanDerWaalsContact ND2-OD1 3.09Å; N124-N170 PolarHBondContact O-N 3.46Å; W126-N170 WeakPolarHBondContact CH2-ND2 3.42Å; W139-N170 HydrophobicContact CB-CB 3.7Å; W139-N170 HydrophobicContact CG-CB 4.24Å; P150-N170 HydrophobicContact CB-CB 3.91Å; P150-N170 VanDerWaalsContact CB-CG 3.43Å; P150-N170 WeakPolarHBondContact CB-OD1 3.41Å; P150-N170 PolarHBondContact O-ND2 3.49Å; Y155-N170 PolarHBondContact O-ND2 3.15Å
171	L	98.2	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.4	-172.3	61.4	85.8	0	0	0	110.8	F61 L123 V138 L140 Y141 Y173 Q197 L201	F61-L171 HydrophobicContact CE1-CB 4.16Å; L123-L171 HydrophobicContact CB-CB 4.15Å; V138-L171 HydrophobicContact CG1-CD2 3.79Å; L140-L171 HydrophobicContact CD2-CD1 3.75Å; L140-L171 HydrophobicContact CD2-CD2 3.99Å; L140-L171 HydrophobicContact CD2-CG 3.9Å; Y141-L171 WeakPolarHBondContact CE1-O 3.44Å; L171-Y173 HydrophobicContact CD1-CD1 4.39Å; L171-Q197 HydrophobicContact CD1-CB 4.14Å; L171-Q197 HydrophobicContact CD1-CG 3.86Å; L171-L201 HydrophobicContact CD2-CD2 4.49Å
172	N	98.4	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.			trans	-73.1	158	166.9	-95.6	-52.4	0	0	0	111.8	F61 P91 C120 Y122 P150	F61-N172 VanDerWaalsContact CZ-O 3.28Å; F61-N172 WeakPolarHBondContact CZ-O 3.49Å; P91-N172 PolarHBondContact O-ND2 3.21Å; C120-N172 WeakPolarHBondContact O-CB 3.31Å; C120-N172 VanDerWaalsContact O-CG 3.26Å; C120-N172 PolarHBondContact O-ND2 2.93Å; Y122-N172 WeakPolarHBondContact O-CB 3.35Å; Y122-N172 PolarHBondContact O-N 3.07Å; P150-N172 WeakPolarHBondContact CD-OD1 3.38Å; P150-N172 HydrophobicContact CG-CB 4.28Å
173	Y	98.8	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.			trans	-150.4	149.7	162.5	58.1	-87.5	0	0	0	110	C93 Y141 F145 L171 M175 G193 Q197	C93-Y173 VanDerWaalsContact SG-C 3.57Å; C93-Y173 PolarHBondContact SG-O 3.36Å; Y141-Y173 AromaticContact CD1-CE1 3.96Å; Y141-Y173 HydrophobicContact CD1-CE1 3.96Å; Y141-Y173 AromaticContact CD2-CE1 3.85Å; Y141-Y173 HydrophobicContact CD2-CE1 3.85Å; Y141-Y173 AromaticContact CD2-CZ 3.97Å; Y141-Y173 AromaticContact CE1-CD1 3.79Å; Y141-Y173 HydrophobicContact CE1-CD1 3.79Å; Y141-Y173 AromaticContact CE1-CE1 3.54Å; Y141-Y173 HydrophobicContact CE1-CE1 3.54Å; Y141-Y173 HydrophobicContact CE2-CD1 4.22Å; Y141-Y173 AromaticContact CE2-CE1 3.43Å; Y141-Y173 HydrophobicContact CE2-CE1 3.43Å; Y141-Y173 VanDerWaalsContact CE2-CE1 3.43Å; Y141-Y173 HydrophobicContact CE2-CE2 4.35Å; Y141-Y173 AromaticContact CE2-CZ 3.48Å; Y141-Y173 VanDerWaalsContact CE2-CZ 3.48Å; Y141-Y173 WeakPolarHBondContact CE2-OH 3.32Å; Y141-Y173 HydrophobicContact CG-CE1 4.09Å; Y141-Y173 AromaticContact CZ-CD1 3.6Å; Y141-Y173 AromaticContact CZ-CE1 3.26Å; Y141-Y173 AromaticContact CZ-CZ 3.76Å; Y141-Y173 PolarHBondContact O-OH 3.45Å; Y141-Y173 PolarHBondContact OH-N 3.16Å; Y141-Y173 PolarHBondContact OH-O 2.94Å; F145-Y173 HydrophobicContact CD1-CE2 4.49Å; L171-Y173 HydrophobicContact CD1-CD1 4.39Å; Y173-M175 HydrophobicContact CD2-CG 3.91Å; Y173-M175 HydrophobicContact CE2-CG 3.54Å; Y173-M175 HydrophobicContact CE2-SD 4.21Å; Y173-M175 WeakPolarHBondContact O-CE 3.33Å; Y173-G193 WeakPolarHBondContact CB-O 3.29Å; Y173-Q197 HydrophobicContact CD1-CG 3.74Å; Y173-Q197 VanDerWaalsContact CE1-NE2 3.26Å; Y173-Q197 HydrophobicContact CG-CG 3.72Å; Y173-Q197 VanDerWaalsContact CG-NE2 3.31Å
174	R	98.7	Very high	98.2	Very high	5 Å²	5	9.1 Å²	9.1	2%	0.019	5%	0.053	C	C	.	.			trans	-63.9	143.3	176.4	-70.3	172.7	-73.4	175.7	-7.4	110.3	Y69 R70 K72 F178 G179 G193 D196	Y69-R174 PolarHBondContact O-NH1 3.34Å; R70-R174 PolarHBondContact O-NH1 2.88Å; K72-R174 PolarHBondContact O-NH1 2.75Å; K72-R174 PolarHBondContact O-NH2 3.47Å; R174-F178 HydrophobicContact CB-CB 4.18Å; R174-F178 HydrophobicContact CG-CB 4.45Å; R174-G179 WeakPolarHBondContact O-CA 3.36Å; R174-G193 VanDerWaalsContact O-CA 3.31Å; R174-G193 WeakPolarHBondContact O-CA 3.47Å; R174-D196 WeakPolarHBondContact CB-OD2 3.42Å; R174-D196 VanDerWaalsContact CG-OD2 3.24Å; R174-D196 WeakPolarHBondContact CG-OD2 3.12Å; R174-D196 IonicContact CZ-OD1 3.4Å; R174-D196 IonicContact CZ-OD2 2.64Å; R174-D196 PolarHBondContact N-OD2 2.97Å; R174-D196 IonicContact NE-OD1 2.68Å; R174-D196 PolarHBondContact NE-OD1 2.87Å; R174-D196 IonicContact NE-OD2 2.74Å; R174-D196 PolarHBondContact NE-OD2 2.83Å; R174-D196 IonicContact NH2-OD1 3.44Å; R174-D196 PolarHBondContact NH2-OD1 2.98Å; R174-D196 IonicContact NH2-OD2 2.85Å
175	M	97.5	Very high	98.2	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	6%	0.055	C	C	.	.			trans	-127.8	172.6	-175.9	-73	161	-64.8	0	0	110.8	C93 Y141 F145 Y147 G148 Y173 V177 F178 G179	C93-M175 HydrophobicContact CB-CE 3.65Å; Y141-M175 HydrophobicContact CE2-CE 4.27Å; Y141-M175 HydrophobicContact CE2-SD 3.57Å; Y141-M175 VanDerWaalsContact CE2-SD 3.57Å; F145-M175 CarbonylContact O-C 3.52Å; F145-M175 WeakPolarHBondContact O-CA 3.41Å; F145-M175 WeakPolarHBondContact O-CB 3.23Å; Y147-M175 VanDerWaalsContact O-SD 3.42Å; G148-M175 VanDerWaalsContact O-CE 3.26Å; G148-M175 WeakPolarHBondContact O-CE 3.25Å; Y173-M175 HydrophobicContact CD2-CG 3.91Å; Y173-M175 HydrophobicContact CE2-CG 3.54Å; Y173-M175 HydrophobicContact CE2-SD 4.21Å; Y173-M175 WeakPolarHBondContact O-CE 3.33Å; M175-V177 PolarHBondContact O-N 2.93Å; M175-F178 PolarHBondContact O-N 3.25Å; M175-F178 VanDerWaalsContact O-N 3.1Å; M175-G179 PolarHBondContact O-N 3.28Å; M175-G179 VanDerWaalsContact O-N 3.08Å
176	G	97.7	Very high	98.1	Very high	2 Å²	2	10 Å²	10	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	54	-136.7	179.8	0	0	0	0	0	111.1	F145 F178 G179 F180	F145-G176 PolarHBondContact O-N 3.12Å; G176-F178 PolarHBondContact O-N 3.33Å; G176-G179 PolarHBondContact O-N 2.91Å; G176-F180 PolarHBondContact O-N 3.13Å
177	V	98.1	Very high	97.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-32.1	177.7	65.2	0	0	0	0	113	F71 M175 L181 F272 L298 I302 F314	F71-V177 HydrophobicContact CE1-CG2 4.06Å; F71-V177 WeakPolarHBondContact CE1-O 3.41Å; F71-V177 HydrophobicContact CZ-CG2 4.39Å; M175-V177 PolarHBondContact O-N 2.93Å; V177-L181 HydrophobicContact CG2-CB 3.97Å; V177-L181 HydrophobicContact CG2-CD1 4.34Å; V177-L181 HydrophobicContact CG2-CD2 3.98Å; V177-L181 HydrophobicContact CG2-CG 4.32Å; V177-L181 WeakPolarHBondContact O-CB 3.35Å; V177-L181 PolarHBondContact O-N 2.78Å; V177-F272 HydrophobicContact CB-CZ 4.21Å; V177-F272 HydrophobicContact CG2-CD1 4.37Å; V177-F272 HydrophobicContact CG2-CE1 3.53Å; V177-F272 HydrophobicContact CG2-CZ 3.62Å; V177-L298 HydrophobicContact CG1-CB 4Å; V177-I302 HydrophobicContact CB-CG2 4Å; V177-I302 HydrophobicContact CG1-CG2 3.99Å; V177-F314 HydrophobicContact CB-CD2 4.18Å; V177-F314 HydrophobicContact CB-CE2 4.07Å; V177-F314 HydrophobicContact CG2-CE2 4.46Å
178	F	98.5	Very high	97.8	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-74.6	-30.6	-178.2	-53.4	-72.5	0	0	0	112.8	R70 F71 Y94 E118 R174 M175 G176 A295 L298 N299	R70-F178 HydrophobicContact CG-CD1 3.74Å; R70-F178 HydrophobicContact CG-CE1 4.16Å; F71-F178 HydrophobicContact CE1-CD1 4.31Å; Y94-F178 AromaticContact CD1-CE2 3.86Å; Y94-F178 HydrophobicContact CD1-CE2 3.86Å; Y94-F178 HydrophobicContact CD1-CZ 4.2Å; Y94-F178 HydrophobicContact CG-CE2 4.28Å; E118-F178 HydrophobicContact CG-CE1 4.44Å; R174-F178 HydrophobicContact CB-CB 4.18Å; R174-F178 HydrophobicContact CG-CB 4.45Å; M175-F178 PolarHBondContact O-N 3.25Å; M175-F178 VanDerWaalsContact O-N 3.1Å; G176-F178 PolarHBondContact O-N 3.33Å; F178-A295 HydrophobicContact CE1-CB 4.33Å; F178-A295 HydrophobicContact CZ-CB 3.85Å; F178-L298 HydrophobicContact CE1-CB 4.48Å; F178-L298 HydrophobicContact CE1-CD1 3.92Å; F178-L298 HydrophobicContact CZ-CB 4.2Å; F178-L298 HydrophobicContact CZ-CD1 4.41Å; F178-N299 HydrophobicContact CE2-CB 4.21Å
179	G	98.4	Very high	97.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-95.1	-30.7	-179	0	0	0	0	0	114.5	R174 M175 G176 N191 M192 G193	R174-G179 WeakPolarHBondContact O-CA 3.36Å; M175-G179 PolarHBondContact O-N 3.28Å; M175-G179 VanDerWaalsContact O-N 3.08Å; G176-G179 PolarHBondContact O-N 2.91Å; G179-N191 CarbonylContact O-C 3.42Å; G179-M192 WeakPolarHBondContact O-CA 3.22Å; G179-M192 WeakPolarHBondContact O-CB 3.29Å; G179-M192 PolarHBondContact O-N 2.83Å; G179-G193 PolarHBondContact O-N 2.83Å
180	F	98.6	Very high	97.7	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-138	9.8	-161	-64.1	-79.1	0	0	0	114.4	F145 G176 F182 L194 F314 V315 I316	F145-F180 HydrophobicContact CB-CD2 3.96Å; F145-F180 HydrophobicContact CB-CE2 3.75Å; F145-F180 HydrophobicContact CB-CZ 4.29Å; F145-F180 HydrophobicContact CD1-CE1 4.17Å; F145-F180 AromaticContact CD1-CE2 3.69Å; F145-F180 HydrophobicContact CD1-CE2 3.69Å; F145-F180 AromaticContact CD1-CZ 3.43Å; F145-F180 HydrophobicContact CD1-CZ 3.43Å; F145-F180 VanDerWaalsContact CD1-CZ 3.43Å; F145-F180 HydrophobicContact CE1-CZ 4.05Å; F145-F180 HydrophobicContact CG-CE2 4.09Å; F145-F180 HydrophobicContact CG-CZ 4.12Å; G176-F180 PolarHBondContact O-N 3.13Å; F180-F182 PolarHBondContact O-N 2.92Å; F180-L194 HydrophobicContact CE1-CG 4.18Å; F180-F314 HydrophobicContact CB-CB 3.75Å; F180-V315 WeakPolarHBondContact CD1-O 3.18Å; F180-I316 HydrophobicContact CD1-CG1 4.49Å; F180-I316 HydrophobicContact CE1-CG1 3.87Å
181	L	98.5	Very high	97.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.			trans	-61.6	130.2	168.5	179.7	66.1	0	0	0	110.5	F71 V177 L183 V188 G190 M192 A269 F272 L290 F314	F71-L181 HydrophobicContact CD1-CD2 4.13Å; F71-L181 HydrophobicContact CD2-CD2 4.46Å; F71-L181 HydrophobicContact CE1-CD2 3.97Å; F71-L181 HydrophobicContact CE2-CD2 4.32Å; F71-L181 HydrophobicContact CG-CD2 4.38Å; F71-L181 HydrophobicContact CZ-CD2 4.07Å; V177-L181 HydrophobicContact CG2-CB 3.97Å; V177-L181 HydrophobicContact CG2-CD1 4.34Å; V177-L181 HydrophobicContact CG2-CD2 3.98Å; V177-L181 HydrophobicContact CG2-CG 4.32Å; V177-L181 WeakPolarHBondContact O-CB 3.35Å; V177-L181 PolarHBondContact O-N 2.78Å; L181-L183 HydrophobicContact CD2-CD1 4.46Å; L181-L183 HydrophobicContact CG-CG 4.46Å; L181-V188 HydrophobicContact CB-CG1 4.21Å; L181-V188 HydrophobicContact CD2-CG1 3.81Å; L181-V188 HydrophobicContact CG-CG1 3.74Å; L181-V188 WeakPolarHBondContact O-CG1 3.34Å; L181-G190 WeakPolarHBondContact O-CA 3.49Å; L181-G190 PolarHBondContact O-N 2.88Å; L181-M192 HydrophobicContact CB-CE 4.44Å; L181-A269 HydrophobicContact CD1-CB 3.73Å; L181-F272 HydrophobicContact CD1-CD1 4.39Å; L181-L290 HydrophobicContact CD2-CD1 3.97Å; L181-F314 HydrophobicContact CD1-CD1 4.48Å; L181-F314 HydrophobicContact CD1-CE1 3.8Å; L181-F314 HydrophobicContact CD1-CZ 4.3Å
182	F	98.6	Very high	97.7	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.3	179.7	176.7	-104.7	0	0	0	110.5	F180 D184 P189 P262 A265 L266 A269 V317	F180-F182 PolarHBondContact O-N 2.92Å; F182-D184 HydrophobicContact CE1-CB 3.86Å; F182-D184 HydrophobicContact CE2-CB 4.23Å; F182-D184 HydrophobicContact CZ-CB 3.53Å; F182-P189 WeakPolarHBondContact CD2-O 3.27Å; F182-P189 WeakPolarHBondContact CE2-O 3.27Å; F182-P262 HydrophobicContact CE1-CB 3.76Å; F182-P262 WeakPolarHBondContact CE1-O 3.25Å; F182-P262 HydrophobicContact CZ-CB 3.9Å; F182-A265 HydrophobicContact CB-CB 4.06Å; F182-A265 HydrophobicContact CD1-CB 3.89Å; F182-A265 HydrophobicContact CG-CB 4.26Å; F182-L266 HydrophobicContact CD1-CB 4.11Å; F182-L266 HydrophobicContact CE1-CB 4.19Å; F182-A269 WeakPolarHBondContact O-CB 3.34Å; F182-V317 HydrophobicContact CB-CG1 4.46Å; F182-V317 HydrophobicContact CD1-CG2 4.29Å; F182-V317 HydrophobicContact CD2-CB 4.47Å; F182-V317 HydrophobicContact CD2-CG1 3.87Å; F182-V317 HydrophobicContact CD2-CG2 4.21Å; F182-V317 HydrophobicContact CE1-CG2 4.46Å; F182-V317 HydrophobicContact CE2-CG1 4.42Å; F182-V317 HydrophobicContact CE2-CG2 4.38Å; F182-V317 HydrophobicContact CG-CB 4.45Å; F182-V317 HydrophobicContact CG-CG1 4.27Å; F182-V317 HydrophobicContact CG-CG2 4.16Å; F182-V317 HydrophobicContact CZ-CG2 4.5Å
183	L	98	Very high	97.7	Very high	11 Å²	11	13.3 Å²	13.3	6%	0.058	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	14.5	174.8	-66.9	175	0	0	0	113	L181 D185 V188 L266 A269 V283 T286 I287 L290	L181-L183 HydrophobicContact CD2-CD1 4.46Å; L181-L183 HydrophobicContact CG-CG 4.46Å; L183-D185 PolarHBondContact O-N 2.96Å; L183-V188 HydrophobicContact CB-CB 4.16Å; L183-V188 HydrophobicContact CB-CG1 4.2Å; L183-V188 HydrophobicContact CD1-CB 4.22Å; L183-V188 HydrophobicContact CD1-CG1 4.08Å; L183-V188 HydrophobicContact CD1-CG2 4.29Å; L183-V188 HydrophobicContact CG-CB 4.4Å; L183-V188 HydrophobicContact CG-CG1 4.04Å; L183-V188 PolarHBondContact N-O 2.76Å; L183-L266 HydrophobicContact CD2-CD1 4.43Å; L183-A269 HydrophobicContact CD2-CB 3.79Å; L183-V283 HydrophobicContact CB-CG1 4.09Å; L183-T286 HydrophobicContact CD1-CG2 4.24Å; L183-I287 HydrophobicContact CD1-CD1 4.48Å; L183-I287 HydrophobicContact CD1-CG1 3.62Å; L183-L290 HydrophobicContact CD1-CD1 4.3Å
184	D	96.1	Very high	97.7	Very high	54 Å²	54	13.3 Å²	13.3	29%	0.289	8%	0.075	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	39.8	-174.4	-163.5	36.6	0	0	0	113	F182 R321	F182-D184 HydrophobicContact CE1-CB 3.86Å; F182-D184 HydrophobicContact CE2-CB 4.23Å; F182-D184 HydrophobicContact CZ-CB 3.53Å; D184-R321 WeakPolarHBondContact O-CD 3.01Å; D184-R321 PolarHBondContact O-NE 2.77Å; D184-R321 PolarHBondContact O-NH1 3.48Å; D184-R321 PolarHBondContact O-NH2 3.46Å; D184-R321 IonicContact OD1-CZ 2.74Å; D184-R321 IonicContact OD1-NE 3.89Å; D184-R321 PolarHBondContact OD1-NE 2.94Å; D184-R321 IonicContact OD1-NH2 2.62Å; D184-R321 PolarHBondContact OD1-NH2 2.64Å; D184-R321 IonicContact OD2-CZ 2.91Å; D184-R321 IonicContact OD2-NE 3.31Å; D184-R321 IonicContact OD2-NH2 2.73Å; D184-R321 PolarHBondContact OD2-NH2 2.69Å
185	D	96.4	Very high	97.7	Very high	43 Å²	43	13.7 Å²	13.7	23%	0.23	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.2	-177.9	-172.7	-82.7	0	0	0	110.5	L183 D187 V188 P189 V283 I287	L183-D185 PolarHBondContact O-N 2.96Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-D187 WeakPolarHBondContact OD1-CB 3.45Å; D185-D187 PolarHBondContact OD1-N 2.98Å; D185-V188 CarbonylContact O-C 3.51Å; D185-V188 PolarHBondContact O-N 2.96Å; D185-V188 VanDerWaalsContact O-N 3.08Å; D185-P189 WeakPolarHBondContact O-CA 3.42Å; D185-P189 VanDerWaalsContact O-N 3.1Å; D185-V283 HydrophobicContact CB-CG1 4.05Å; D185-I287 HydrophobicContact CB-CD1 3.99Å
186	P	94.4	Very high	97.8	Very high	77 Å²	77	13.6 Å²	13.6	50%	0.5	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.7	178.1	-26.3	35.9	0	0	0	115.1
187	D	94	Very high	97.9	Very high	72 Å²	72	13.5 Å²	13.5	39%	0.385	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-18.7	178.7	-82.1	-14.2	0	0	0	113.5	F71 K72 D185	F71-D187 CarbonylContact C-O 3.49Å; K72-D187 WeakPolarHBondContact CE-OD1 3.24Å; K72-D187 IonicContact NZ-OD1 3.59Å; K72-D187 PolarHBondContact NZ-OD1 3.31Å; K72-D187 IonicContact NZ-OD2 3.55Å; K72-D187 PolarHBondContact NZ-OD2 3.08Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-D187 WeakPolarHBondContact OD1-CB 3.45Å; D185-D187 PolarHBondContact OD1-N 2.98Å
188	V	97.9	Very high	97.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	68.5	173.2	-172.5	0	0	0	0	108.9	F71 L181 L183 D185 G190 I287	F71-V188 HydrophobicContact CB-CB 4.34Å; F71-V188 HydrophobicContact CB-CG1 4.14Å; F71-V188 HydrophobicContact CB-CG2 3.71Å; F71-V188 HydrophobicContact CD2-CG2 4.31Å; F71-V188 HydrophobicContact CG-CG2 4.3Å; L181-V188 HydrophobicContact CB-CG1 4.21Å; L181-V188 HydrophobicContact CD2-CG1 3.81Å; L181-V188 HydrophobicContact CG-CG1 3.74Å; L181-V188 WeakPolarHBondContact O-CG1 3.34Å; L183-V188 HydrophobicContact CB-CB 4.16Å; L183-V188 HydrophobicContact CB-CG1 4.2Å; L183-V188 HydrophobicContact CD1-CB 4.22Å; L183-V188 HydrophobicContact CD1-CG1 4.08Å; L183-V188 HydrophobicContact CD1-CG2 4.29Å; L183-V188 HydrophobicContact CG-CB 4.4Å; L183-V188 HydrophobicContact CG-CG1 4.04Å; L183-V188 PolarHBondContact N-O 2.76Å; D185-V188 CarbonylContact O-C 3.51Å; D185-V188 PolarHBondContact O-N 2.96Å; D185-V188 VanDerWaalsContact O-N 3.08Å; V188-G190 VanDerWaalsContact C-N 3.29Å; V188-G190 PolarHBondContact O-N 3.32Å; V188-I287 HydrophobicContact CB-CD1 4.46Å; V188-I287 HydrophobicContact CG2-CB 4.49Å; V188-I287 HydrophobicContact CG2-CD1 3.82Å; V188-I287 HydrophobicContact CG2-CG1 3.7Å; V188-I287 HydrophobicContact CG2-CG2 4.02Å
189	P	97.7	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-12.9	-165.3	27.9	-34.8	0	0	0	114.7	P73 F182 D185 M192 M195 D320 R321	P73-P189 HydrophobicContact CG-CG 4.14Å; F182-P189 WeakPolarHBondContact CD2-O 3.27Å; F182-P189 WeakPolarHBondContact CE2-O 3.27Å; D185-P189 WeakPolarHBondContact O-CA 3.42Å; D185-P189 VanDerWaalsContact O-N 3.1Å; P189-M192 HydrophobicContact CG-CG 4.5Å; P189-M192 HydrophobicContact CG-SD 4.12Å; P189-M195 HydrophobicContact CG-CE 4.4Å; P189-D320 VanDerWaalsContact O-CA 3.24Å; P189-D320 WeakPolarHBondContact O-CA 3.33Å; P189-D320 WeakPolarHBondContact O-CB 3.37Å; P189-R321 VanDerWaalsContact CB-C 3.47Å; P189-R321 HydrophobicContact CB-CB 3.89Å; P189-R321 PolarHBondContact O-N 2.84Å; P189-R321 VanDerWaalsContact O-N 3.1Å
190	G	98.1	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	78.2	164.7	-160.9	0	0	0	0	0	112.5	L181 V188 M192 M195	L181-G190 WeakPolarHBondContact O-CA 3.49Å; L181-G190 PolarHBondContact O-N 2.88Å; V188-G190 VanDerWaalsContact C-N 3.29Å; V188-G190 PolarHBondContact O-N 3.32Å; G190-M192 PolarHBondContact O-N 2.92Å; G190-M195 WeakPolarHBondContact O-CE 3.28Å
191	N	98.7	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.			trans	59.6	22.3	175.9	-62.5	-22.4	0	0	0	116.2	G179 G193 L194 M195 I316 V317 D320 F325	G179-N191 CarbonylContact O-C 3.42Å; N191-G193 PolarHBondContact O-N 2.83Å; N191-L194 HydrophobicContact CB-CB 4.3Å; N191-L194 HydrophobicContact CB-CD1 4.13Å; N191-L194 WeakPolarHBondContact O-CB 3.35Å; N191-L194 PolarHBondContact O-N 2.87Å; N191-M195 HydrophobicContact CB-CE 4.18Å; N191-M195 WeakPolarHBondContact O-CG 3.29Å; N191-M195 PolarHBondContact O-N 2.88Å; N191-I316 WeakPolarHBondContact OD1-CA 3.46Å; N191-V317 PolarHBondContact ND2-O 3.04Å; N191-V317 PolarHBondContact OD1-N 3.12Å; N191-D320 HydrophobicContact CB-CB 4.1Å; N191-D320 PolarHBondContact ND2-OD2 3.24Å; N191-F325 WeakPolarHBondContact ND2-CD2 3.36Å; N191-F325 WeakPolarHBondContact ND2-CE2 3.25Å
192	M	98.7	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-37.8	174.4	-62.5	80.2	75.6	0	0	112	F71 G179 L181 P189 G190 L194 M195 D196	F71-M192 HydrophobicContact CB-CE 4.33Å; F71-M192 HydrophobicContact CD1-CE 4.38Å; F71-M192 WeakPolarHBondContact O-CG 3.33Å; G179-M192 WeakPolarHBondContact O-CA 3.22Å; G179-M192 WeakPolarHBondContact O-CB 3.29Å; G179-M192 PolarHBondContact O-N 2.83Å; L181-M192 HydrophobicContact CB-CE 4.44Å; P189-M192 HydrophobicContact CG-CG 4.5Å; P189-M192 HydrophobicContact CG-SD 4.12Å; G190-M192 PolarHBondContact O-N 2.92Å; M192-L194 PolarHBondContact O-N 2.86Å; M192-M195 CarbonylContact O-C 3.59Å; M192-M195 WeakPolarHBondContact O-CB 3.49Å; M192-M195 PolarHBondContact O-N 3.32Å; M192-D196 PolarHBondContact O-N 2.93Å
193	G	98.7	Very high	98	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-39.6	174.9	0	0	0	0	0	113.1	Y173 R174 G179 N191 D196 Q197	Y173-G193 WeakPolarHBondContact CB-O 3.29Å; R174-G193 VanDerWaalsContact O-CA 3.31Å; R174-G193 WeakPolarHBondContact O-CA 3.47Å; G179-G193 PolarHBondContact O-N 2.83Å; N191-G193 PolarHBondContact O-N 2.83Å; G193-D196 WeakPolarHBondContact O-CB 3.48Å; G193-D196 PolarHBondContact O-N 2.95Å; G193-Q197 WeakPolarHBondContact O-CG 3.36Å; G193-Q197 PolarHBondContact O-N 2.82Å; G193-Q197 VanDerWaalsContact O-N 3.1Å
194	L	98.9	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-36.4	173.7	-71.5	176.9	0	0	0	112.1	F180 N191 M192 D196 Q197 Q198 S229 A232 I316 F324 F325	F180-L194 HydrophobicContact CE1-CG 4.18Å; N191-L194 HydrophobicContact CB-CB 4.3Å; N191-L194 HydrophobicContact CB-CD1 4.13Å; N191-L194 WeakPolarHBondContact O-CB 3.35Å; N191-L194 PolarHBondContact O-N 2.87Å; M192-L194 PolarHBondContact O-N 2.86Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-Q197 PolarHBondContact O-N 2.79Å; L194-Q198 WeakPolarHBondContact O-CB 3.36Å; L194-Q198 PolarHBondContact O-N 2.84Å; L194-S229 WeakPolarHBondContact CD2-OG 3.44Å; L194-A232 HydrophobicContact CD1-CB 4.04Å; L194-A232 HydrophobicContact CD2-CB 4.05Å; L194-I316 HydrophobicContact CD1-CB 4.31Å; L194-I316 HydrophobicContact CD1-CD1 3.9Å; L194-I316 HydrophobicContact CD1-CG1 3.74Å; L194-I316 HydrophobicContact CD1-CG2 3.71Å; L194-I316 HydrophobicContact CD2-CD1 4.07Å; L194-I316 HydrophobicContact CD2-CG1 4.41Å; L194-I316 HydrophobicContact CG-CD1 4.34Å; L194-I316 HydrophobicContact CG-CG1 4.19Å; L194-F324 HydrophobicContact CB-CD1 4.14Å; L194-F324 HydrophobicContact CB-CD2 3.84Å; L194-F324 HydrophobicContact CB-CE1 3.98Å; L194-F324 HydrophobicContact CB-CE2 3.65Å; L194-F324 HydrophobicContact CB-CG 4.08Å; L194-F324 HydrophobicContact CB-CZ 3.73Å; L194-F324 HydrophobicContact CD1-CD1 3.88Å; L194-F324 HydrophobicContact CD1-CE1 3.61Å; L194-F324 HydrophobicContact CD1-CZ 4.09Å; L194-F324 HydrophobicContact CD2-CZ 4.32Å; L194-F324 HydrophobicContact CG-CE1 4.29Å; L194-F324 HydrophobicContact CG-CZ 4.28Å; L194-F324 WeakPolarHBondContact O-CE2 3.09Å; L194-F325 HydrophobicContact CD1-CE2 4.17Å; L194-F325 HydrophobicContact CD1-CZ 4.08Å
195	M	98.8	Very high	98.1	Very high	12 Å²	12	18.5 Å²	18.5	6%	0.059	9%	0.094	C	C	.	.	H	α-helix	trans	-66.6	-33.2	173.8	-61.3	168.2	-158.5	0	0	111.5	P73 P74 P189 G190 N191 M192 Q198 L199 D320 F324	P73-M195 HydrophobicContact CB-SD 3.87Å; P73-M195 HydrophobicContact CG-SD 3.94Å; P74-M195 HydrophobicContact CG-CB 4Å; P189-M195 HydrophobicContact CG-CE 4.4Å; G190-M195 WeakPolarHBondContact O-CE 3.28Å; N191-M195 HydrophobicContact CB-CE 4.18Å; N191-M195 WeakPolarHBondContact O-CG 3.29Å; N191-M195 PolarHBondContact O-N 2.88Å; M192-M195 CarbonylContact O-C 3.59Å; M192-M195 WeakPolarHBondContact O-CB 3.49Å; M192-M195 PolarHBondContact O-N 3.32Å; M195-Q198 PolarHBondContact O-N 2.83Å; M195-L199 WeakPolarHBondContact O-CB 3.3Å; M195-L199 PolarHBondContact O-N 2.81Å; M195-D320 HydrophobicContact CE-CB 4.39Å; M195-D320 WeakPolarHBondContact CE-OD1 3.38Å; M195-F324 HydrophobicContact CE-CB 3.82Å; M195-F324 HydrophobicContact CG-CB 3.98Å; M195-F324 HydrophobicContact CG-CD2 4.18Å; M195-F324 HydrophobicContact CG-CG 4.49Å
196	D	98.9	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-46.6	173	-61.6	-21.8	0	0	0	110.8	F61 P74 L121 R174 M192 G193 L194 Q198 L199 G200	F61-D196 WeakPolarHBondContact CE2-O 3.48Å; P74-D196 WeakPolarHBondContact CB-OD1 3.47Å; P74-D196 WeakPolarHBondContact CG-OD1 3.3Å; L121-D196 HydrophobicContact CD2-CB 3.79Å; R174-D196 WeakPolarHBondContact CB-OD2 3.42Å; R174-D196 VanDerWaalsContact CG-OD2 3.24Å; R174-D196 WeakPolarHBondContact CG-OD2 3.12Å; R174-D196 IonicContact CZ-OD1 3.4Å; R174-D196 IonicContact CZ-OD2 2.64Å; R174-D196 PolarHBondContact N-OD2 2.97Å; R174-D196 IonicContact NE-OD1 2.68Å; R174-D196 PolarHBondContact NE-OD1 2.87Å; R174-D196 IonicContact NE-OD2 2.74Å; R174-D196 PolarHBondContact NE-OD2 2.83Å; R174-D196 IonicContact NH2-OD1 3.44Å; R174-D196 PolarHBondContact NH2-OD1 2.98Å; R174-D196 IonicContact NH2-OD2 2.85Å; M192-D196 PolarHBondContact O-N 2.93Å; G193-D196 WeakPolarHBondContact O-CB 3.48Å; G193-D196 PolarHBondContact O-N 2.95Å; L194-D196 VanDerWaalsContact C-N 3.3Å; D196-Q198 VanDerWaalsContact C-N 3.34Å; D196-Q198 PolarHBondContact O-N 2.77Å; D196-L199 PolarHBondContact O-N 2.96Å; D196-G200 PolarHBondContact O-N 3.22Å
197	Q	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-46.1	174.4	-63.7	173.4	0.5	0	0	110.9	L140 L171 Y173 G193 L194 L199 G200 L201 S229 H233	L140-Q197 HydrophobicContact CD2-CB 4.37Å; L140-Q197 HydrophobicContact CD2-CG 4.16Å; L171-Q197 HydrophobicContact CD1-CB 4.14Å; L171-Q197 HydrophobicContact CD1-CG 3.86Å; Y173-Q197 HydrophobicContact CD1-CG 3.74Å; Y173-Q197 VanDerWaalsContact CE1-NE2 3.26Å; Y173-Q197 HydrophobicContact CG-CG 3.72Å; Y173-Q197 VanDerWaalsContact CG-NE2 3.31Å; G193-Q197 WeakPolarHBondContact O-CG 3.36Å; G193-Q197 PolarHBondContact O-N 2.82Å; G193-Q197 VanDerWaalsContact O-N 3.1Å; L194-Q197 PolarHBondContact O-N 2.79Å; Q197-L199 VanDerWaalsContact C-N 3.33Å; Q197-L199 PolarHBondContact O-N 2.97Å; Q197-G200 PolarHBondContact O-N 2.8Å; Q197-G200 VanDerWaalsContact O-N 3.17Å; Q197-L201 WeakPolarHBondContact O-CG 3.17Å; Q197-L201 PolarHBondContact O-N 3.21Å; Q197-S229 PolarHBondContact NE2-OG 3.44Å; Q197-S229 VanDerWaalsContact NE2-OG 3.07Å; Q197-S229 PolarHBondContact OE1-OG 3.33Å; Q197-H233 WeakPolarHBondContact CB-NE2 3.37Å; Q197-H233 PolarHBondContact OE1-NE2 3.27Å
198	Q	98.8	Very high	98.6	Very high	20 Å²	20	14.8 Å²	14.8	9%	0.093	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-41.6	177.4	-170.8	179.6	59.8	0	0	112.2	L194 M195 D196 G200 L201 Q202 S239 L242 F324	L194-Q198 WeakPolarHBondContact O-CB 3.36Å; L194-Q198 PolarHBondContact O-N 2.84Å; M195-Q198 PolarHBondContact O-N 2.83Å; D196-Q198 VanDerWaalsContact C-N 3.34Å; D196-Q198 PolarHBondContact O-N 2.77Å; Q198-G200 VanDerWaalsContact C-N 3.35Å; Q198-L201 PolarHBondContact O-N 2.75Å; Q198-Q202 WeakPolarHBondContact O-CG 3.03Å; Q198-Q202 PolarHBondContact O-N 2.93Å; Q198-S239 PolarHBondContact NE2-OG 3.27Å; Q198-L242 HydrophobicContact CG-CD1 4.32Å; Q198-F324 HydrophobicContact CB-CD2 4.45Å; Q198-F324 HydrophobicContact CB-CE2 4.08Å
199	L	98.8	Very high	98.6	Very high	13 Å²	13	17.6 Å²	17.6	7%	0.068	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-41.4	176	-172.6	74.7	0	0	0	111.4	F61 P74 R75 M76 M195 D196 Q197 L201 Q202 W203	F61-L199 HydrophobicContact CD2-CB 4.5Å; F61-L199 HydrophobicContact CD2-CD2 4.2Å; F61-L199 HydrophobicContact CD2-CG 4.31Å; F61-L199 HydrophobicContact CE2-CB 4.44Å; F61-L199 HydrophobicContact CE2-CD2 4.41Å; P74-L199 HydrophobicContact CB-CD2 3.81Å; P74-L199 HydrophobicContact CG-CB 4.18Å; P74-L199 HydrophobicContact CG-CD2 4.13Å; R75-L199 VanDerWaalsContact C-CD2 3.45Å; R75-L199 VanDerWaalsContact O-CD2 3.29Å; R75-L199 WeakPolarHBondContact O-CD2 3.41Å; M76-L199 HydrophobicContact CB-CD1 4.03Å; M76-L199 HydrophobicContact CE-CD1 3.71Å; M76-L199 HydrophobicContact CE-CG 4.28Å; M76-L199 HydrophobicContact SD-CD1 4.22Å; M76-L199 HydrophobicContact SD-CG 4.44Å; M195-L199 WeakPolarHBondContact O-CB 3.3Å; M195-L199 PolarHBondContact O-N 2.81Å; D196-L199 PolarHBondContact O-N 2.96Å; Q197-L199 VanDerWaalsContact C-N 3.33Å; Q197-L199 PolarHBondContact O-N 2.97Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 3.04Å; L199-Q202 WeakPolarHBondContact O-CB 3.27Å; L199-Q202 PolarHBondContact O-N 2.91Å; L199-W203 PolarHBondContact O-N 2.9Å
200	G	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-41.3	173.3	0	0	0	0	0	112.3	D196 Q197 Q198 W203 I204	D196-G200 PolarHBondContact O-N 3.22Å; Q197-G200 PolarHBondContact O-N 2.8Å; Q197-G200 VanDerWaalsContact O-N 3.17Å; Q198-G200 VanDerWaalsContact C-N 3.35Å; G200-W203 WeakPolarHBondContact O-CB 3.28Å; G200-W203 PolarHBondContact O-N 3.19Å; G200-I204 WeakPolarHBondContact O-CG1 3.45Å; G200-I204 PolarHBondContact O-N 2.98Å
201	L	98.9	Very high	98.7	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-39	174	-64.4	179.6	0	0	0	112.5	V138 L171 Q197 Q198 L199 W203 I204 R205 L220 L242	V138-L201 HydrophobicContact CB-CD2 4.34Å; V138-L201 HydrophobicContact CG1-CD2 3.9Å; V138-L201 HydrophobicContact CG2-CD2 4.4Å; L171-L201 HydrophobicContact CD2-CD2 4.49Å; Q197-L201 WeakPolarHBondContact O-CG 3.17Å; Q197-L201 PolarHBondContact O-N 3.21Å; Q198-L201 PolarHBondContact O-N 2.75Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 3.04Å; L201-W203 VanDerWaalsContact C-N 3.33Å; L201-I204 HydrophobicContact CD2-CD1 4.45Å; L201-I204 PolarHBondContact O-N 3.14Å; L201-R205 WeakPolarHBondContact O-CB 3.32Å; L201-R205 PolarHBondContact O-N 2.94Å; L201-L220 HydrophobicContact CD1-CD1 4.13Å; L201-L220 HydrophobicContact CD1-CD2 4.22Å; L201-L220 HydrophobicContact CD2-CD2 3.46Å; L201-L220 VanDerWaalsContact CD2-CD2 3.46Å; L201-L220 HydrophobicContact CG-CD2 4.49Å; L201-L242 HydrophobicContact CB-CB 4.08Å; L201-L242 HydrophobicContact CB-CD1 3.62Å; L201-L242 HydrophobicContact CB-CG 4.43Å; L201-L242 HydrophobicContact CD1-CD1 4.48Å
202	Q	98.7	Very high	98.7	Very high	58 Å²	58	23.4 Å²	23.4	27%	0.271	12%	0.117	S	C	.	.	H	α-helix	trans	-64.7	-37.6	172.9	-70.7	170.4	-3.7	0	0	111.8	M76 Q198 L199 R205 Q206 L242	M76-Q202 HydrophobicContact CE-CB 3.76Å; Q198-Q202 WeakPolarHBondContact O-CG 3.03Å; Q198-Q202 PolarHBondContact O-N 2.93Å; L199-Q202 WeakPolarHBondContact O-CB 3.27Å; L199-Q202 PolarHBondContact O-N 2.91Å; Q202-R205 WeakPolarHBondContact O-CB 3.48Å; Q202-R205 PolarHBondContact O-N 3.42Å; Q202-Q206 VanDerWaalsContact O-CG 3.31Å; Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 2.86Å; Q202-Q206 VanDerWaalsContact O-N 3.07Å; Q202-L242 HydrophobicContact CG-CD1 3.91Å; Q202-L242 HydrophobicContact CG-CD2 4.38Å
203	W	98.8	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-46	174.2	-176.1	100.7	0	0	0	110.9	V59 F61 M76 L123 L199 G200 L201 R205 Q206 N207 F211	V59-W203 HydrophobicContact CG1-CH2 4.11Å; V59-W203 HydrophobicContact CG1-CZ2 3.69Å; F61-W203 HydrophobicContact CB-CB 3.84Å; F61-W203 HydrophobicContact CB-CD2 4.25Å; F61-W203 HydrophobicContact CB-CG 3.64Å; M76-W203 HydrophobicContact CE-CB 4.31Å; M76-W203 HydrophobicContact SD-CB 4Å; M76-W203 HydrophobicContact SD-CG 4.4Å; L123-W203 HydrophobicContact CD1-CZ3 4.39Å; L123-W203 HydrophobicContact CD2-CD2 4.02Å; L123-W203 HydrophobicContact CD2-CE3 3.57Å; L123-W203 HydrophobicContact CD2-CH2 4.46Å; L123-W203 HydrophobicContact CD2-CZ3 3.82Å; L199-W203 PolarHBondContact O-N 2.9Å; G200-W203 WeakPolarHBondContact O-CB 3.28Å; G200-W203 PolarHBondContact O-N 3.19Å; L201-W203 VanDerWaalsContact C-N 3.33Å; W203-R205 VanDerWaalsContact C-N 3.33Å; W203-R205 PolarHBondContact O-N 2.62Å; W203-Q206 PolarHBondContact O-N 3.02Å; W203-Q206 VanDerWaalsContact O-N 3.16Å; W203-N207 HydrophobicContact CD2-CB 4.13Å; W203-N207 HydrophobicContact CE3-CB 4.17Å; W203-N207 HydrophobicContact CH2-CB 3.94Å; W203-N207 HydrophobicContact CZ2-CB 3.9Å; W203-N207 HydrophobicContact CZ3-CB 4.08Å; W203-N207 WeakPolarHBondContact O-CB 3.49Å; W203-N207 PolarHBondContact O-N 2.77Å; W203-N207 PolarHBondContact O-ND2 2.96Å; W203-F211 HydrophobicContact CH2-CE2 4Å; W203-F211 HydrophobicContact CH2-CZ 4.46Å
204	I	98.8	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-47.3	176.7	-68.2	170	0	0	0	109.7	V136 V138 V169 G200 L201 Q206 N207 I208 V218	V136-I204 HydrophobicContact CG1-CG2 4.19Å; V138-I204 HydrophobicContact CB-CD1 4.31Å; V138-I204 HydrophobicContact CG1-CD1 3.78Å; V138-I204 HydrophobicContact CG2-CD1 3.5Å; V169-I204 HydrophobicContact CB-CD1 4.15Å; V169-I204 HydrophobicContact CG1-CD1 3.8Å; V169-I204 HydrophobicContact CG1-CG1 4.37Å; V169-I204 HydrophobicContact CG2-CD1 4.42Å; G200-I204 WeakPolarHBondContact O-CG1 3.45Å; G200-I204 PolarHBondContact O-N 2.98Å; L201-I204 HydrophobicContact CD2-CD1 4.45Å; L201-I204 PolarHBondContact O-N 3.14Å; I204-Q206 PolarHBondContact O-N 3.04Å; I204-N207 PolarHBondContact O-N 3.48Å; I204-I208 HydrophobicContact CG2-CB 3.89Å; I204-I208 HydrophobicContact CG2-CG1 4.16Å; I204-I208 HydrophobicContact CG2-CG2 4.08Å; I204-I208 WeakPolarHBondContact O-CB 3.22Å; I204-I208 WeakPolarHBondContact O-CG2 3.43Å; I204-I208 PolarHBondContact O-N 2.6Å; I204-V218 HydrophobicContact CG2-CG2 4.27Å
205	R	98.5	Very high	98.6	Very high	88 Å²	88	26 Å²	26	33%	0.332	13%	0.134	S	C	.	.	H	α-helix	trans	-53.5	-39.6	176.6	-179	66	-179	163.5	3.4	112.8	L201 Q202 W203 P215 E216 L242	L201-R205 WeakPolarHBondContact O-CB 3.32Å; L201-R205 PolarHBondContact O-N 2.94Å; Q202-R205 WeakPolarHBondContact O-CB 3.48Å; Q202-R205 PolarHBondContact O-N 3.42Å; W203-R205 VanDerWaalsContact C-N 3.33Å; W203-R205 PolarHBondContact O-N 2.62Å; R205-P215 VanDerWaalsContact NH1-C 3.28Å; R205-P215 PolarHBondContact NH1-O 3.26Å; R205-E216 IonicContact CZ-OE1 3.69Å; R205-E216 IonicContact CZ-OE2 3.28Å; R205-E216 IonicContact NH1-OE1 3.17Å; R205-E216 PolarHBondContact NH1-OE1 3.26Å; R205-E216 IonicContact NH1-OE2 3.56Å; R205-E216 PolarHBondContact NH1-OE2 3.24Å; R205-E216 IonicContact NH2-OE1 3.87Å; R205-E216 PolarHBondContact NH2-OE1 3.04Å; R205-E216 IonicContact NH2-OE2 2.8Å; R205-L242 HydrophobicContact CB-CD2 4.04Å; R205-L242 HydrophobicContact CG-CD2 4.08Å
206	Q	98.2	Very high	98.6	Very high	111 Å²	111	29.7 Å²	29.7	52%	0.519	15%	0.151	S	C	.	.	H	α-helix	trans	-85.1	-27.2	-176.9	-68.6	171.5	13.2	0	0	113.9	Q202 W203 I204	Q202-Q206 VanDerWaalsContact O-CG 3.31Å; Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 2.86Å; Q202-Q206 VanDerWaalsContact O-N 3.07Å; W203-Q206 PolarHBondContact O-N 3.02Å; W203-Q206 VanDerWaalsContact O-N 3.16Å; I204-Q206 PolarHBondContact O-N 3.04Å
207	N	98.5	Very high	98.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-121.5	-21.9	-165.1	-63	-77.8	0	0	0	115	W203 I204 A209 Y210 F211	W203-N207 HydrophobicContact CD2-CB 4.13Å; W203-N207 HydrophobicContact CE3-CB 4.17Å; W203-N207 HydrophobicContact CH2-CB 3.94Å; W203-N207 HydrophobicContact CZ2-CB 3.9Å; W203-N207 HydrophobicContact CZ3-CB 4.08Å; W203-N207 WeakPolarHBondContact O-CB 3.49Å; W203-N207 PolarHBondContact O-N 2.77Å; W203-N207 PolarHBondContact O-ND2 2.96Å; I204-N207 PolarHBondContact O-N 3.48Å; N207-A209 PolarHBondContact O-N 2.92Å; N207-A209 VanDerWaalsContact O-N 3.07Å; N207-Y210 HydrophobicContact CB-CD2 4.45Å; N207-Y210 VanDerWaalsContact O-CD2 3.22Å; N207-Y210 WeakPolarHBondContact O-CD2 3.33Å; N207-Y210 PolarHBondContact O-N 3.17Å; N207-F211 WeakPolarHBondContact O-CD2 3.36Å
208	I	98.7	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-65.1	-23.2	-168.7	-154.3	60.9	0	0	0	113.6	M125 V136 I167 V169 I204 Y210 F211 G213 P215	M125-I208 HydrophobicContact SD-CD1 3.42Å; M125-I208 WeakPolarHBondContact SD-CD1 3.19Å; V136-I208 HydrophobicContact CG1-CD1 4.45Å; V136-I208 HydrophobicContact CG1-CG1 4.11Å; V136-I208 HydrophobicContact CG2-CG1 3.65Å; V136-I208 HydrophobicContact CG2-CG2 4.22Å; I167-I208 HydrophobicContact CD1-CG1 4.44Å; I167-I208 HydrophobicContact CG2-CD1 4.1Å; V169-I208 HydrophobicContact CG2-CD1 4.15Å; I204-I208 HydrophobicContact CG2-CB 3.89Å; I204-I208 HydrophobicContact CG2-CG1 4.16Å; I204-I208 HydrophobicContact CG2-CG2 4.08Å; I204-I208 WeakPolarHBondContact O-CB 3.22Å; I204-I208 WeakPolarHBondContact O-CG2 3.43Å; I204-I208 PolarHBondContact O-N 2.6Å; I208-Y210 VanDerWaalsContact C-N 3.27Å; I208-Y210 PolarHBondContact O-N 3.27Å; I208-F211 HydrophobicContact CD1-CD2 4.48Å; I208-F211 PolarHBondContact O-N 3.3Å; I208-G213 PolarHBondContact O-N 2.82Å; I208-P215 HydrophobicContact CG2-CB 4.04Å
209	A	98.5	Very high	98.5	Very high	60 Å²	60	32.5 Å²	32.5	50%	0.496	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-61.1	-31.9	175.2	0	0	0	0	0	113.3	N207 F211 G212 G213	N207-A209 PolarHBondContact O-N 2.92Å; N207-A209 VanDerWaalsContact O-N 3.07Å; A209-F211 PolarHBondContact O-N 3.25Å; A209-G212 PolarHBondContact O-N 3.26Å; A209-G212 VanDerWaalsContact O-N 3.12Å; A209-G213 WeakPolarHBondContact CA-O 3.46Å
210	Y	98.3	Very high	98.5	Very high	93 Å²	93	31.9 Å²	31.9	37%	0.365	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-65.5	-21.5	176.1	-62.7	-70.7	0	0	0	112.7	V34 T36 Q37 N207 I208	V34-Y210 WeakPolarHBondContact CG1-O 3.49Å; T36-Y210 HydrophobicContact CG2-CD2 4.01Å; T36-Y210 HydrophobicContact CG2-CG 4.08Å; Q37-Y210 VanDerWaalsContact CG-OH 3.31Å; Q37-Y210 WeakPolarHBondContact CG-OH 3.34Å; Q37-Y210 PolarHBondContact NE2-OH 3.36Å; N207-Y210 HydrophobicContact CB-CD2 4.45Å; N207-Y210 VanDerWaalsContact O-CD2 3.22Å; N207-Y210 WeakPolarHBondContact O-CD2 3.33Å; N207-Y210 PolarHBondContact O-N 3.17Å; I208-Y210 VanDerWaalsContact C-N 3.27Å; I208-Y210 PolarHBondContact O-N 3.27Å
211	F	98.3	Very high	98.5	Very high	12 Å²	12	31.9 Å²	31.9	5%	0.053	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-98.7	5.9	178.9	-57.1	-88.3	0	0	0	112.6	V34 T36 L41 F56 M125 V127 I167 W203 N207 I208 A209	V34-F211 HydrophobicContact CB-CD1 4.12Å; V34-F211 HydrophobicContact CB-CE1 3.72Å; V34-F211 HydrophobicContact CB-CZ 4.36Å; V34-F211 HydrophobicContact CG1-CD1 3.87Å; V34-F211 HydrophobicContact CG1-CE1 3.62Å; V34-F211 HydrophobicContact CG1-CE2 4.42Å; V34-F211 HydrophobicContact CG1-CG 4.37Å; V34-F211 HydrophobicContact CG1-CZ 3.92Å; V34-F211 HydrophobicContact CG2-CD1 3.96Å; V34-F211 HydrophobicContact CG2-CE1 4.01Å; T36-F211 HydrophobicContact CG2-CE2 3.89Å; T36-F211 HydrophobicContact CG2-CZ 3.89Å; L41-F211 HydrophobicContact CD1-CE1 4.36Å; L41-F211 HydrophobicContact CD1-CZ 3.65Å; F56-F211 HydrophobicContact CD1-CE1 4.12Å; F56-F211 HydrophobicContact CD2-CD1 4.03Å; F56-F211 HydrophobicContact CD2-CE1 4.01Å; F56-F211 HydrophobicContact CE1-CE1 4.08Å; F56-F211 AromaticContact CE2-CD1 3.79Å; F56-F211 HydrophobicContact CE2-CD1 3.79Å; F56-F211 AromaticContact CE2-CE1 3.97Å; F56-F211 HydrophobicContact CE2-CE1 3.97Å; F56-F211 HydrophobicContact CG-CE1 4.09Å; F56-F211 HydrophobicContact CZ-CD1 4.13Å; F56-F211 HydrophobicContact CZ-CE1 4.02Å; M125-F211 HydrophobicContact CE-CB 4.32Å; M125-F211 HydrophobicContact CE-CD1 3.26Å; M125-F211 HydrophobicContact CE-CD2 3.79Å; M125-F211 HydrophobicContact CE-CE1 3.31Å; M125-F211 HydrophobicContact CE-CE2 3.84Å; M125-F211 HydrophobicContact CE-CG 3.5Å; M125-F211 HydrophobicContact CE-CZ 3.6Å; M125-F211 HydrophobicContact SD-CB 4.32Å; M125-F211 HydrophobicContact SD-CD1 4.31Å; M125-F211 HydrophobicContact SD-CD2 4.29Å; M125-F211 HydrophobicContact SD-CG 4.04Å; V127-F211 VanDerWaalsContact CG1-O 3.28Å; V127-F211 WeakPolarHBondContact CG1-O 3.01Å; V127-F211 HydrophobicContact CG2-CB 4.15Å; I167-F211 HydrophobicContact CD1-CB 4.3Å; W203-F211 HydrophobicContact CH2-CE2 4Å; W203-F211 HydrophobicContact CH2-CZ 4.46Å; N207-F211 WeakPolarHBondContact O-CD2 3.36Å; I208-F211 HydrophobicContact CD1-CD2 4.48Å; I208-F211 PolarHBondContact O-N 3.3Å; A209-F211 PolarHBondContact O-N 3.25Å
212	G	98.4	Very high	98.5	Very high	16 Å²	16	31.7 Å²	31.7	17%	0.165	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	4.5	-177.3	0	0	0	0	0	114.6	R132 N133 A134 A209	R132-G212 CarbonylContact C-O 3.55Å; R132-G212 VanDerWaalsContact C-O 3.3Å; N133-G212 PolarHBondContact N-O 3.49Å; A134-G212 PolarHBondContact N-O 3.09Å; A209-G212 PolarHBondContact O-N 3.26Å; A209-G212 VanDerWaalsContact O-N 3.12Å
213	G	98.7	Very high	98.5	Very high	5 Å²	5	29.2 Å²	29.2	5%	0.052	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	157.4	174.4	0	0	0	0	0	112.8	A134 I167 I208 A209	A134-G213 CarbonylContact O-C 3.3Å; I167-G213 VanDerWaalsContact CD1-CA 3.47Å; I167-G213 VanDerWaalsContact CD1-N 3.34Å; I208-G213 PolarHBondContact O-N 2.82Å; A209-G213 WeakPolarHBondContact CA-O 3.46Å
214	N	98.6	Very high	98.5	Very high	22 Å²	22	29.3 Å²	29.3	12%	0.118	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.6	173.2	-176.9	-16.4	0	0	0	109.8	N133 A134 E216 K217	N133-N214 VanDerWaalsContact OD1-CB 3.3Å; N133-N214 WeakPolarHBondContact OD1-CB 3.42Å; N133-N214 PolarHBondContact OD1-ND2 3.05Å; A134-N214 PolarHBondContact O-N 3.12Å; N214-E216 PolarHBondContact O-N 3.3Å; N214-E216 VanDerWaalsContact O-N 3.12Å; N214-E216 WeakPolarHBondContact OD1-CA 3Å; N214-E216 VanDerWaalsContact OD1-CB 3.29Å; N214-E216 WeakPolarHBondContact OD1-CB 3.49Å; N214-E216 PolarHBondContact OD1-N 3.46Å; N214-K217 HydrophobicContact CB-CB 4.05Å; N214-K217 HydrophobicContact CB-CD 4.3Å; N214-K217 HydrophobicContact CB-CG 4.18Å; N214-K217 PolarHBondContact O-N 3.28Å
215	P	98.3	Very high	98.5	Very high	28 Å²	28	29.3 Å²	29.3	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-10	178.9	28.5	-35.4	0	0	0	114.2	R205 I208	R205-P215 VanDerWaalsContact NH1-C 3.28Å; R205-P215 PolarHBondContact NH1-O 3.26Å; I208-P215 HydrophobicContact CG2-CB 4.04Å
216	E	97.6	Very high	98.5	Very high	89 Å²	89	25.1 Å²	25.1	42%	0.416	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-2.7	171.3	-52	-61.7	165.2	0	0	113.2	R205 N214 H244	R205-E216 IonicContact CZ-OE1 3.69Å; R205-E216 IonicContact CZ-OE2 3.28Å; R205-E216 IonicContact NH1-OE1 3.17Å; R205-E216 PolarHBondContact NH1-OE1 3.26Å; R205-E216 IonicContact NH1-OE2 3.56Å; R205-E216 PolarHBondContact NH1-OE2 3.24Å; R205-E216 IonicContact NH2-OE1 3.87Å; R205-E216 PolarHBondContact NH2-OE1 3.04Å; R205-E216 IonicContact NH2-OE2 2.8Å; N214-E216 PolarHBondContact O-N 3.3Å; N214-E216 VanDerWaalsContact O-N 3.12Å; N214-E216 WeakPolarHBondContact OD1-CA 3Å; N214-E216 VanDerWaalsContact OD1-CB 3.29Å; N214-E216 WeakPolarHBondContact OD1-CB 3.49Å; N214-E216 PolarHBondContact OD1-N 3.46Å; E216-H244 PolarHBondContact O-CE1 2.91Å; E216-H244 PolarHBondContact O-ND1 2.74Å; E216-H244 IonicContact OE2-CE1 3.8Å
217	K	98	Very high	98.6	Very high	77 Å²	77	19.8 Å²	19.8	34%	0.335	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	54.5	178	-64.7	-175.7	175.7	-175.1	0	110.9	V136 N214	V136-K217 PolarHBondContact N-O 3.18Å; N214-K217 HydrophobicContact CB-CB 4.05Å; N214-K217 HydrophobicContact CB-CD 4.3Å; N214-K217 HydrophobicContact CB-CG 4.18Å; N214-K217 PolarHBondContact O-N 3.28Å
218	V	98.8	Very high	98.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.9	177.2	-179.9	0	0	0	0	109.3	V136 V138 I204 L220 L242 F243 H244	V136-V218 HydrophobicContact CB-CG2 4.28Å; V136-V218 WeakPolarHBondContact O-CA 3.45Å; V138-V218 HydrophobicContact CG2-CG1 3.77Å; I204-V218 HydrophobicContact CG2-CG2 4.27Å; V218-L220 HydrophobicContact CG1-CD2 4.21Å; V218-L242 WeakPolarHBondContact CB-O 3.35Å; V218-L242 WeakPolarHBondContact CG1-O 3.24Å; V218-F243 HydrophobicContact CB-CB 4.47Å; V218-F243 HydrophobicContact CG1-CB 4.17Å; V218-H244 PolarHBondContact O-N 3.45Å
219	C	98.9	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127	169.9	-175.3	0	0	0	0	108.9	V136 L137 V138 N245 A504	V136-C219 PolarHBondContact O-N 3.43Å; L137-C219 WeakPolarHBondContact CA-O 3.4Å; V138-C219 PolarHBondContact N-O 3.39Å; C219-N245 CarbonylContact C-O 3.56Å; C219-N245 VanDerWaalsContact CA-O 3.29Å; C219-N245 WeakPolarHBondContact CA-O 3.47Å; C219-N245 HydrophobicContact CB-CB 4.07Å; C219-N245 PolarHBondContact SG-O 2.73Å; C219-A504 HydrophobicContact CB-CB 3.42Å; C219-A504 VanDerWaalsContact CB-CB 3.42Å
220	L	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.4	168.2	-51.7	-173.5	0	0	0	108.7	V138 L201 V218 I230 H233 F243 N245 G246 I247	V138-L220 HydrophobicContact CB-CD2 3.84Å; V138-L220 HydrophobicContact CG1-CD2 4.4Å; V138-L220 HydrophobicContact CG2-CD2 4.35Å; L201-L220 HydrophobicContact CD1-CD1 4.13Å; L201-L220 HydrophobicContact CD1-CD2 4.22Å; L201-L220 HydrophobicContact CD2-CD2 3.46Å; L201-L220 VanDerWaalsContact CD2-CD2 3.46Å; L201-L220 HydrophobicContact CG-CD2 4.49Å; V218-L220 HydrophobicContact CG1-CD2 4.21Å; L220-I230 HydrophobicContact CB-CD1 3.9Å; L220-I230 HydrophobicContact CB-CG1 3.8Å; L220-I230 HydrophobicContact CB-CG2 4.4Å; L220-I230 HydrophobicContact CD1-CG1 4.31Å; L220-H233 HydrophobicContact CD1-CB 4.36Å; L220-F243 HydrophobicContact CD1-CB 4.17Å; L220-F243 HydrophobicContact CD1-CD1 3.76Å; L220-F243 HydrophobicContact CD1-CD2 3.95Å; L220-F243 HydrophobicContact CD1-CE1 4.09Å; L220-F243 HydrophobicContact CD1-CE2 4.25Å; L220-F243 HydrophobicContact CD1-CG 3.68Å; L220-F243 HydrophobicContact CD1-CZ 4.32Å; L220-F243 HydrophobicContact CD2-CB 4.05Å; L220-F243 HydrophobicContact CD2-CG 4.48Å; L220-F243 HydrophobicContact CG-CB 3.71Å; L220-F243 HydrophobicContact CG-CD1 4.26Å; L220-F243 HydrophobicContact CG-CD2 3.92Å; L220-F243 HydrophobicContact CG-CG 3.7Å; L220-N245 PolarHBondContact N-O 3.31Å; L220-G246 CarbonylContact O-C 3.6Å; L220-G246 VanDerWaalsContact O-CA 3.22Å; L220-G246 WeakPolarHBondContact O-CA 3.32Å; L220-I247 PolarHBondContact O-N 2.72Å
221	F	98.9	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.3	167.6	69.8	-56.3	0	0	0	108	L137 V138 W139 L140 L160 V168 I247 V474 F475 W500	L137-F221 HydrophobicContact CB-CD1 3.94Å; L137-F221 HydrophobicContact CB-CE1 3.6Å; L137-F221 HydrophobicContact CB-CZ 4.33Å; L137-F221 HydrophobicContact CD2-CD1 4.44Å; L137-F221 HydrophobicContact CD2-CE1 4.38Å; L137-F221 HydrophobicContact CG-CD1 4.44Å; L137-F221 HydrophobicContact CG-CE1 4.45Å; V138-F221 VanDerWaalsContact C-CD1 3.43Å; V138-F221 VanDerWaalsContact C-CE1 3.41Å; V138-F221 VanDerWaalsContact O-CD1 3.24Å; V138-F221 WeakPolarHBondContact O-CD1 3.43Å; V138-F221 PolarHBondContact O-N 3.33Å; V138-F221 VanDerWaalsContact O-O 3.12Å; W139-F221 CarbonylContact C-O 3.54Å; W139-F221 VanDerWaalsContact CA-O 3.26Å; W139-F221 WeakPolarHBondContact CA-O 3.26Å; W139-F221 HydrophobicContact CB-CD1 4.35Å; W139-F221 HydrophobicContact CB-CE1 3.62Å; W139-F221 HydrophobicContact CB-CE2 4.38Å; W139-F221 HydrophobicContact CB-CZ 3.65Å; W139-F221 HydrophobicContact CD2-CD2 4.44Å; W139-F221 HydrophobicContact CD2-CE2 4.14Å; W139-F221 HydrophobicContact CD2-CZ 4.29Å; W139-F221 HydrophobicContact CE3-CB 4.49Å; W139-F221 HydrophobicContact CE3-CD1 4.23Å; W139-F221 AromaticContact CE3-CD2 3.3Å; W139-F221 HydrophobicContact CE3-CD2 3.3Å; W139-F221 HydrophobicContact CE3-CE1 4.24Å; W139-F221 AromaticContact CE3-CE2 3.34Å; W139-F221 HydrophobicContact CE3-CE2 3.34Å; W139-F221 AromaticContact CE3-CG 3.76Å; W139-F221 HydrophobicContact CE3-CG 3.76Å; W139-F221 AromaticContact CE3-CZ 3.83Å; W139-F221 HydrophobicContact CE3-CZ 3.83Å; W139-F221 VanDerWaalsContact CE3-O 3.25Å; W139-F221 HydrophobicContact CG-CZ 4.28Å; W139-F221 AromaticContact CZ3-CD2 3.6Å; W139-F221 HydrophobicContact CZ3-CD2 3.6Å; W139-F221 AromaticContact CZ3-CE2 3.9Å; W139-F221 HydrophobicContact CZ3-CE2 3.9Å; W139-F221 HydrophobicContact CZ3-CG 4.27Å; W139-F221 VanDerWaalsContact N-CE1 3.26Å; L140-F221 PolarHBondContact N-O 3.04Å; L160-F221 HydrophobicContact CD2-CE2 4.03Å; L160-F221 HydrophobicContact CD2-CZ 3.89Å; V168-F221 HydrophobicContact CG1-CZ 4.46Å; F221-I247 WeakPolarHBondContact CA-O 3.34Å; F221-I247 HydrophobicContact CB-CB 3.73Å; F221-I247 HydrophobicContact CB-CD1 4.21Å; F221-I247 HydrophobicContact CB-CG1 4.27Å; F221-V474 HydrophobicContact CD2-CG1 4.25Å; F221-V474 HydrophobicContact CE2-CG1 4.03Å; F221-F475 HydrophobicContact CE2-CE2 4.06Å; F221-F475 AromaticContact CE2-CZ 3.97Å; F221-F475 HydrophobicContact CE2-CZ 3.97Å; F221-F475 HydrophobicContact CZ-CE1 4.47Å; F221-F475 AromaticContact CZ-CZ 3.97Å; F221-F475 HydrophobicContact CZ-CZ 3.97Å; F221-W500 AromaticContact CD2-CD1 3.99Å
222	G	98.8	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	157.4	-172.5	0	0	0	0	0	111.2	L140 A227 I247 Q249	L140-G222 WeakPolarHBondContact O-CA 3.38Å; G222-A227 WeakPolarHBondContact O-CB 3.08Å; G222-I247 PolarHBondContact N-O 3.36Å; G222-I247 VanDerWaalsContact N-O 3.08Å; G222-Q249 WeakPolarHBondContact O-CB 3.4Å; G222-Q249 PolarHBondContact O-N 2.87Å
223	E	98.7	Very high	98.7	Very high	6 Å²	6	11 Å²	11	3%	0.028	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.6	-175.5	-172	-82.1	161.8	0	0	111.3	W139 L140 G142 A225 G226 A227 Q249 H467 A468 I471	W139-E223 HydrophobicContact CH2-CB 3.54Å; W139-E223 HydrophobicContact CZ2-CB 4.11Å; W139-E223 HydrophobicContact CZ3-CB 4.42Å; L140-E223 PolarHBondContact O-N 2.89Å; G142-E223 WeakPolarHBondContact CA-O 3.48Å; G142-E223 PolarHBondContact N-O 3.26Å; E223-A225 PolarHBondContact O-N 3.12Å; E223-A225 VanDerWaalsContact O-N 3.14Å; E223-G226 WeakPolarHBondContact O-CA 3.21Å; E223-G226 PolarHBondContact O-N 3.48Å; E223-A227 PolarHBondContact O-N 3.25Å; E223-Q249 CarbonylContact C-O 3.55Å; E223-Q249 VanDerWaalsContact CA-O 3.23Å; E223-Q249 WeakPolarHBondContact CA-O 3.43Å; E223-Q249 HydrophobicContact CB-CB 3.9Å; E223-Q249 HydrophobicContact CG-CB 3.96Å; E223-H467 IonicContact OE1-CD2 2.74Å; E223-H467 PolarHBondContact OE1-CD2 2.94Å; E223-H467 VanDerWaalsContact OE1-CD2 3.31Å; E223-H467 IonicContact OE1-CE1 3.65Å; E223-H467 PolarHBondContact OE1-CE1 3.41Å; E223-H467 VanDerWaalsContact OE1-CE1 3.24Å; E223-H467 IonicContact OE1-CG 3.78Å; E223-H467 IonicContact OE1-ND1 3.01Å; E223-H467 IonicContact OE1-NE2 3.4Å; E223-H467 PolarHBondContact OE1-NE2 2.85Å; E223-A468 HydrophobicContact CG-CB 4.26Å; E223-A468 WeakPolarHBondContact OE1-CA 3.34Å; E223-A468 VanDerWaalsContact OE1-CB 3.3Å; E223-A468 WeakPolarHBondContact OE1-CB 3.41Å; E223-A468 PolarHBondContact OE1-N 3.03Å; E223-I471 HydrophobicContact CB-CD1 3.94Å; E223-I471 HydrophobicContact CB-CG1 4.48Å; E223-I471 HydrophobicContact CG-CD1 3.85Å; E223-I471 HydrophobicContact CG-CG1 4.34Å
224	S	98.7	Very high	98.7	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.014	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-118.6	177.7	-167.1	0	0	0	0	111.5	G226 A227 A228 Q249 W257 H467	S224-G226 PolarHBondContact O-N 3.22Å; S224-A227 WeakPolarHBondContact O-CA 3.5Å; S224-A227 WeakPolarHBondContact O-CB 3.48Å; S224-A227 PolarHBondContact O-N 2.91Å; S224-A228 PolarHBondContact O-N 3.39Å; S224-Q249 PolarHBondContact N-O 3.11Å; S224-W257 VanDerWaalsContact C-CH2 3.42Å; S224-W257 WeakPolarHBondContact O-CH2 3.22Å; S224-H467 VanDerWaalsContact CB-NE2 3.3Å; S224-H467 WeakPolarHBondContact CB-NE2 3.41Å; S224-H467 PolarHBondContact OG-NE2 3.24Å; S224-H467 VanDerWaalsContact OG-NE2 3.08Å
225	A	98.8	Very high	98.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-50.6	-37.3	172.2	0	0	0	0	0	113.6	F145 E223 A228 S229 W257	F145-A225 HydrophobicContact CD1-CB 3.87Å; F145-A225 HydrophobicContact CD2-CB 3.87Å; F145-A225 HydrophobicContact CE1-CB 3.7Å; F145-A225 HydrophobicContact CE2-CB 3.69Å; F145-A225 HydrophobicContact CG-CB 3.96Å; F145-A225 HydrophobicContact CZ-CB 3.6Å; F145-A225 WeakPolarHBondContact CZ-O 3.39Å; E223-A225 PolarHBondContact O-N 3.12Å; E223-A225 VanDerWaalsContact O-N 3.14Å; A225-A228 WeakPolarHBondContact O-CB 3.41Å; A225-A228 PolarHBondContact O-N 2.71Å; A225-S229 WeakPolarHBondContact O-CB 3.47Å; A225-S229 PolarHBondContact O-N 3.38Å; A225-S229 PolarHBondContact O-OG 3.13Å; A225-W257 HydrophobicContact CB-CZ3 4.38Å
226	G	98.8	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.7	-35.6	174.3	0	0	0	0	0	113.4	L140 Y141 E223 S224 S229 I230	L140-G226 WeakPolarHBondContact O-CA 3.32Å; Y141-G226 WeakPolarHBondContact O-CA 3.46Å; Y141-G226 PolarHBondContact O-N 2.9Å; E223-G226 WeakPolarHBondContact O-CA 3.21Å; E223-G226 PolarHBondContact O-N 3.48Å; S224-G226 PolarHBondContact O-N 3.22Å; G226-S229 VanDerWaalsContact O-CB 3.31Å; G226-S229 WeakPolarHBondContact O-CB 3.42Å; G226-S229 PolarHBondContact O-N 3.1Å; G226-I230 WeakPolarHBondContact O-CG1 3.38Å; G226-I230 PolarHBondContact O-N 3.48Å; G226-I230 VanDerWaalsContact O-N 3.15Å
227	A	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-67.9	-40.8	172.3	0	0	0	0	0	111.5	G222 E223 S224 S229 I230 V231 L248 G251	G222-A227 WeakPolarHBondContact O-CB 3.08Å; E223-A227 PolarHBondContact O-N 3.25Å; S224-A227 WeakPolarHBondContact O-CA 3.5Å; S224-A227 WeakPolarHBondContact O-CB 3.48Å; S224-A227 PolarHBondContact O-N 2.91Å; A227-S229 VanDerWaalsContact C-N 3.32Å; A227-S229 PolarHBondContact O-N 3.05Å; A227-I230 WeakPolarHBondContact O-CB 3.37Å; A227-I230 PolarHBondContact O-N 2.95Å; A227-V231 PolarHBondContact O-N 2.97Å; A227-L248 HydrophobicContact CB-CB 4.11Å; A227-G251 WeakPolarHBondContact CB-O 3.3Å
228	A	98.9	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.6	-40	172.8	0	0	0	0	0	111.9	F145 S224 A225 I230 V231 A232 S252 W257 A258	F145-A228 HydrophobicContact CZ-CB 4.16Å; S224-A228 PolarHBondContact O-N 3.39Å; A225-A228 WeakPolarHBondContact O-CB 3.41Å; A225-A228 PolarHBondContact O-N 2.71Å; A228-I230 VanDerWaalsContact C-N 3.32Å; A228-I230 PolarHBondContact O-N 3.46Å; A228-V231 PolarHBondContact O-N 2.96Å; A228-V231 VanDerWaalsContact O-N 3.16Å; A228-A232 PolarHBondContact O-N 3.24Å; A228-S252 VanDerWaalsContact CB-O 3.31Å; A228-S252 WeakPolarHBondContact CB-O 3.18Å; A228-W257 HydrophobicContact CB-CH2 4.2Å; A228-W257 HydrophobicContact CB-CZ3 4.16Å; A228-A258 HydrophobicContact CB-CB 3.86Å
229	S	98.9	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.7	-39.1	172	-87.3	0	0	0	0	113.2	L194 Q197 A225 G226 A227 V231 A232 H233	L194-S229 WeakPolarHBondContact CD2-OG 3.44Å; Q197-S229 PolarHBondContact NE2-OG 3.44Å; Q197-S229 VanDerWaalsContact NE2-OG 3.07Å; Q197-S229 PolarHBondContact OE1-OG 3.33Å; A225-S229 WeakPolarHBondContact O-CB 3.47Å; A225-S229 PolarHBondContact O-N 3.38Å; A225-S229 PolarHBondContact O-OG 3.13Å; G226-S229 VanDerWaalsContact O-CB 3.31Å; G226-S229 WeakPolarHBondContact O-CB 3.42Å; G226-S229 PolarHBondContact O-N 3.1Å; A227-S229 VanDerWaalsContact C-N 3.32Å; A227-S229 PolarHBondContact O-N 3.05Å; S229-V231 VanDerWaalsContact C-N 3.32Å; S229-V231 PolarHBondContact O-N 3.48Å; S229-A232 WeakPolarHBondContact O-CB 3.22Å; S229-A232 PolarHBondContact O-N 2.74Å; S229-H233 PolarHBondContact O-CD2 2.86Å; S229-H233 PolarHBondContact O-N 3.08Å
230	I	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.9	-45.1	175.2	-64.9	171.3	0	0	0	110.5	L140 L220 G226 A227 A228 A232 H233 M234 I247 L248	L140-I230 HydrophobicContact CD1-CG1 4.05Å; L220-I230 HydrophobicContact CB-CD1 3.9Å; L220-I230 HydrophobicContact CB-CG1 3.8Å; L220-I230 HydrophobicContact CB-CG2 4.4Å; L220-I230 HydrophobicContact CD1-CG1 4.31Å; G226-I230 WeakPolarHBondContact O-CG1 3.38Å; G226-I230 PolarHBondContact O-N 3.48Å; G226-I230 VanDerWaalsContact O-N 3.15Å; A227-I230 WeakPolarHBondContact O-CB 3.37Å; A227-I230 PolarHBondContact O-N 2.95Å; A228-I230 VanDerWaalsContact C-N 3.32Å; A228-I230 PolarHBondContact O-N 3.46Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 3.17Å; I230-H233 CarbonylContact O-C 3.53Å; I230-H233 PolarHBondContact O-N 2.93Å; I230-M234 WeakPolarHBondContact O-CG 3.47Å; I230-M234 PolarHBondContact O-N 3.2Å; I230-I247 WeakPolarHBondContact CD1-O 3.34Å; I230-L248 HydrophobicContact CG2-CD1 4.04Å
231	V	98.7	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-38.5	176.9	-179.3	0	0	0	0	111.1	A227 A228 S229 H233 M234 I235 L248 L253 L333 F433	A227-V231 PolarHBondContact O-N 2.97Å; A228-V231 PolarHBondContact O-N 2.96Å; A228-V231 VanDerWaalsContact O-N 3.16Å; S229-V231 VanDerWaalsContact C-N 3.32Å; S229-V231 PolarHBondContact O-N 3.48Å; V231-H233 VanDerWaalsContact C-N 3.35Å; V231-H233 PolarHBondContact O-N 2.79Å; V231-M234 WeakPolarHBondContact O-CB 3.3Å; V231-M234 PolarHBondContact O-N 3.24Å; V231-M234 VanDerWaalsContact O-N 3.12Å; V231-I235 PolarHBondContact O-N 2.92Å; V231-I235 VanDerWaalsContact O-N 3.13Å; V231-L248 HydrophobicContact CG2-CD2 3.49Å; V231-L248 VanDerWaalsContact CG2-CD2 3.49Å; V231-L248 HydrophobicContact CG2-CG 4.42Å; V231-L253 HydrophobicContact CB-CB 3.8Å; V231-L253 HydrophobicContact CG1-CB 3.55Å; V231-L253 HydrophobicContact CG1-CD2 4.38Å; V231-L333 HydrophobicContact CG1-CD1 3.81Å; V231-F433 HydrophobicContact CB-CE1 4.47Å; V231-F433 HydrophobicContact CB-CZ 4.31Å; V231-F433 HydrophobicContact CG1-CD2 4.31Å; V231-F433 HydrophobicContact CG1-CE1 4.21Å; V231-F433 HydrophobicContact CG1-CE2 3.73Å; V231-F433 HydrophobicContact CG1-CZ 3.66Å; V231-F433 HydrophobicContact CG2-CD1 3.97Å; V231-F433 HydrophobicContact CG2-CE1 3.54Å; V231-F433 HydrophobicContact CG2-CZ 3.86Å
232	A	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-42.9	172.2	0	0	0	0	0	112	L194 A228 S229 I230 M234 I235 A236 L253 I316 F324 F325	L194-A232 HydrophobicContact CD1-CB 4.04Å; L194-A232 HydrophobicContact CD2-CB 4.05Å; A228-A232 PolarHBondContact O-N 3.24Å; S229-A232 WeakPolarHBondContact O-CB 3.22Å; S229-A232 PolarHBondContact O-N 2.74Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 3.17Å; A232-M234 VanDerWaalsContact C-N 3.29Å; A232-M234 PolarHBondContact O-N 3.2Å; A232-I235 PolarHBondContact O-N 2.8Å; A232-I235 VanDerWaalsContact O-N 3.11Å; A232-A236 PolarHBondContact O-N 3.09Å; A232-L253 HydrophobicContact CB-CD1 4.39Å; A232-L253 HydrophobicContact CB-CD2 4.29Å; A232-I316 HydrophobicContact CB-CD1 4.27Å; A232-F324 HydrophobicContact CB-CE1 4.09Å; A232-F324 HydrophobicContact CB-CZ 4.42Å; A232-F325 HydrophobicContact CB-CE1 4.12Å; A232-F325 HydrophobicContact CB-CZ 3.83Å
233	H	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67	-25.7	173.8	-74.6	-63.3	0	0	0	113.5	Q197 L220 S229 I230 V231 S239 F243 F324	Q197-H233 WeakPolarHBondContact CB-NE2 3.37Å; Q197-H233 PolarHBondContact OE1-NE2 3.27Å; L220-H233 HydrophobicContact CD1-CB 4.36Å; S229-H233 PolarHBondContact O-CD2 2.86Å; S229-H233 PolarHBondContact O-N 3.08Å; I230-H233 CarbonylContact O-C 3.53Å; I230-H233 PolarHBondContact O-N 2.93Å; V231-H233 VanDerWaalsContact C-N 3.35Å; V231-H233 PolarHBondContact O-N 2.79Å; H233-S239 WeakPolarHBondContact ND1-CB 3.04Å; H233-S239 PolarHBondContact ND1-OG 3.41Å; H233-S239 WeakPolarHBondContact O-CB 3.45Å; H233-F243 HydrophobicContact CB-CE1 3.88Å; H233-F243 HydrophobicContact CB-CZ 4.25Å; H233-F324 AromaticContact CE1-CE2 3.74Å; H233-F324 AromaticContact CE1-CZ 3.87Å; H233-F324 AromaticContact ND1-CE2 3.81Å; H233-F324 AromaticContact ND1-CZ 3.68Å
234	M	98.2	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.4	-35	169.9	-68.3	174.1	54.7	0	0	111.8	I230 V231 A232 R240 F243 Y338 K339 V342 L344 F433 L437	I230-M234 WeakPolarHBondContact O-CG 3.47Å; I230-M234 PolarHBondContact O-N 3.2Å; V231-M234 WeakPolarHBondContact O-CB 3.3Å; V231-M234 PolarHBondContact O-N 3.24Å; V231-M234 VanDerWaalsContact O-N 3.12Å; A232-M234 VanDerWaalsContact C-N 3.29Å; A232-M234 PolarHBondContact O-N 3.2Å; M234-R240 PolarHBondContact O-NE 3.17Å; M234-F243 HydrophobicContact CB-CZ 4.47Å; M234-F243 HydrophobicContact CG-CE2 4.01Å; M234-F243 HydrophobicContact CG-CZ 3.66Å; M234-Y338 HydrophobicContact CE-CD2 4.03Å; M234-Y338 WeakPolarHBondContact O-CA 3.5Å; M234-K339 HydrophobicContact CB-CB 4.12Å; M234-K339 VanDerWaalsContact CE-O 3.26Å; M234-K339 WeakPolarHBondContact CE-O 3.33Å; M234-K339 HydrophobicContact CG-CB 4.41Å; M234-K339 PolarHBondContact O-N 2.89Å; M234-V342 HydrophobicContact CE-CG1 3.55Å; M234-V342 HydrophobicContact SD-CG1 4.17Å; M234-L344 HydrophobicContact CE-CD1 4.31Å; M234-L344 HydrophobicContact SD-CD1 4.07Å; M234-L344 HydrophobicContact SD-CD2 4.2Å; M234-F433 HydrophobicContact CE-CE1 4.23Å; M234-F433 HydrophobicContact CE-CZ 3.58Å; M234-F433 HydrophobicContact SD-CE1 4.1Å; M234-F433 HydrophobicContact SD-CZ 3.82Å; M234-L437 HydrophobicContact CE-CD1 4.3Å; M234-L437 HydrophobicContact CE-CD2 4.45Å
235	I	98.4	Very high	98.4	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.036	10%	0.102	C	C	.	.	H	α-helix	trans	-74	-49	177.5	-65.4	167.3	0	0	0	110.4	V231 A232 N237 R240 L253 F325 A329 L333	V231-I235 PolarHBondContact O-N 2.92Å; V231-I235 VanDerWaalsContact O-N 3.13Å; A232-I235 PolarHBondContact O-N 2.8Å; A232-I235 VanDerWaalsContact O-N 3.11Å; I235-N237 PolarHBondContact O-N 2.87Å; I235-R240 PolarHBondContact O-NE 2.85Å; I235-R240 PolarHBondContact O-NH2 3.16Å; I235-L253 HydrophobicContact CD1-CD2 3.45Å; I235-L253 VanDerWaalsContact CD1-CD2 3.45Å; I235-F325 HydrophobicContact CB-CD1 4.28Å; I235-F325 HydrophobicContact CB-CE1 4.01Å; I235-F325 HydrophobicContact CG2-CD1 3.75Å; I235-F325 HydrophobicContact CG2-CE1 3.94Å; I235-A329 HydrophobicContact CD1-CB 4.14Å; I235-A329 HydrophobicContact CG2-CB 4.29Å; I235-L333 HydrophobicContact CD1-CB 4.12Å; I235-L333 HydrophobicContact CD1-CD1 4.42Å
236	A	98.4	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-62.6	117	-176.4	0	0	0	0	0	112.7	A232 D238 S239 R240 F324 F325	A232-A236 PolarHBondContact O-N 3.09Å; A236-D238 VanDerWaalsContact C-N 3.32Å; A236-D238 PolarHBondContact O-N 3.39Å; A236-S239 WeakPolarHBondContact O-CB 3.35Å; A236-S239 PolarHBondContact O-N 2.93Å; A236-R240 WeakPolarHBondContact O-CG 3.26Å; A236-R240 PolarHBondContact O-N 3Å; A236-F324 HydrophobicContact CB-CD1 4.02Å; A236-F324 HydrophobicContact CB-CE1 3.59Å; A236-F324 HydrophobicContact CB-CE2 4.15Å; A236-F324 HydrophobicContact CB-CG 4.45Å; A236-F324 HydrophobicContact CB-CZ 3.68Å; A236-F324 WeakPolarHBondContact CB-O 3.34Å; A236-F325 HydrophobicContact CB-CD1 4.47Å
237	N	97.5	Very high	98.4	Very high	71 Å²	71	19.7 Å²	19.7	38%	0.38	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-43.9	-173.2	-74	-15.8	0	0	0	112.8	I235 S239 R240 P241 N326	I235-N237 PolarHBondContact O-N 2.87Å; N237-S239 PolarHBondContact O-N 2.71Å; N237-R240 PolarHBondContact O-N 3.02Å; N237-R240 PolarHBondContact OD1-NH1 3.32Å; N237-R240 PolarHBondContact OD1-NH2 3.34Å; N237-P241 WeakPolarHBondContact O-CD 3.18Å; N237-N326 VanDerWaalsContact CB-OD1 3.3Å; N237-N326 WeakPolarHBondContact CB-OD1 3.38Å; N237-N326 PolarHBondContact ND2-OD1 3.39Å
238	D	97.5	Very high	98.4	Very high	93 Å²	93	19.7 Å²	19.7	50%	0.497	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.4	-176.5	-63.2	-23.7	0	0	0	112.9	A236	A236-D238 VanDerWaalsContact C-N 3.32Å; A236-D238 PolarHBondContact O-N 3.39Å
239	S	98.5	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-28.1	174.3	-60.1	0	0	0	0	113.1	Q198 H233 A236 N237 L242 F243	Q198-S239 PolarHBondContact NE2-OG 3.27Å; H233-S239 WeakPolarHBondContact ND1-CB 3.04Å; H233-S239 PolarHBondContact ND1-OG 3.41Å; H233-S239 WeakPolarHBondContact O-CB 3.45Å; A236-S239 WeakPolarHBondContact O-CB 3.35Å; A236-S239 PolarHBondContact O-N 2.93Å; N237-S239 PolarHBondContact O-N 2.71Å; S239-L242 WeakPolarHBondContact O-CB 3.17Å; S239-L242 PolarHBondContact O-N 3.47Å; S239-F243 WeakPolarHBondContact O-CD1 3.36Å; S239-F243 WeakPolarHBondContact O-CE1 3.35Å
240	R	97.6	Very high	98.3	Very high	69 Å²	69	19.7 Å²	19.7	26%	0.26	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-53.4	-38.2	-175.9	-58.8	-172.3	-178.7	162.5	5.3	115.7	M234 I235 A236 N237 L242 N337 K339	M234-R240 PolarHBondContact O-NE 3.17Å; I235-R240 PolarHBondContact O-NE 2.85Å; I235-R240 PolarHBondContact O-NH2 3.16Å; A236-R240 WeakPolarHBondContact O-CG 3.26Å; A236-R240 PolarHBondContact O-N 3Å; N237-R240 PolarHBondContact O-N 3.02Å; N237-R240 PolarHBondContact OD1-NH1 3.32Å; N237-R240 PolarHBondContact OD1-NH2 3.34Å; R240-L242 VanDerWaalsContact C-N 3.28Å; R240-N337 PolarHBondContact NH2-O 3.46Å; R240-N337 VanDerWaalsContact NH2-O 3.12Å; R240-K339 HydrophobicContact CB-CB 4.49Å; R240-K339 HydrophobicContact CB-CD 4.22Å; R240-K339 HydrophobicContact CB-CG 4.49Å; R240-K339 HydrophobicContact CG-CB 4.04Å
241	P	97.6	Very high	98.3	Very high	78 Å²	78	19.7 Å²	19.7	51%	0.506	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-81.5	-4.3	178.6	32.3	-35.4	0	0	0	113.5	N237	N237-P241 WeakPolarHBondContact O-CD 3.18Å
242	L	98.6	Very high	98.2	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.073	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-86.8	-11.1	-173.9	-55.6	177.9	0	0	0	113.5	Q198 L201 Q202 R205 V218 S239 R240	Q198-L242 HydrophobicContact CG-CD1 4.32Å; L201-L242 HydrophobicContact CB-CB 4.08Å; L201-L242 HydrophobicContact CB-CD1 3.62Å; L201-L242 HydrophobicContact CB-CG 4.43Å; L201-L242 HydrophobicContact CD1-CD1 4.48Å; Q202-L242 HydrophobicContact CG-CD1 3.91Å; Q202-L242 HydrophobicContact CG-CD2 4.38Å; R205-L242 HydrophobicContact CB-CD2 4.04Å; R205-L242 HydrophobicContact CG-CD2 4.08Å; V218-L242 WeakPolarHBondContact CB-O 3.35Å; V218-L242 WeakPolarHBondContact CG1-O 3.24Å; S239-L242 WeakPolarHBondContact O-CB 3.17Å; S239-L242 PolarHBondContact O-N 3.47Å; R240-L242 VanDerWaalsContact C-N 3.28Å
243	F	98.6	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.			trans	-152.1	157.3	-179.4	70.2	-77.3	0	0	0	112.5	V218 L220 H233 M234 S239 K339 V342	V218-F243 HydrophobicContact CB-CB 4.47Å; V218-F243 HydrophobicContact CG1-CB 4.17Å; L220-F243 HydrophobicContact CD1-CB 4.17Å; L220-F243 HydrophobicContact CD1-CD1 3.76Å; L220-F243 HydrophobicContact CD1-CD2 3.95Å; L220-F243 HydrophobicContact CD1-CE1 4.09Å; L220-F243 HydrophobicContact CD1-CE2 4.25Å; L220-F243 HydrophobicContact CD1-CG 3.68Å; L220-F243 HydrophobicContact CD1-CZ 4.32Å; L220-F243 HydrophobicContact CD2-CB 4.05Å; L220-F243 HydrophobicContact CD2-CG 4.48Å; L220-F243 HydrophobicContact CG-CB 3.71Å; L220-F243 HydrophobicContact CG-CD1 4.26Å; L220-F243 HydrophobicContact CG-CD2 3.92Å; L220-F243 HydrophobicContact CG-CG 3.7Å; H233-F243 HydrophobicContact CB-CE1 3.88Å; H233-F243 HydrophobicContact CB-CZ 4.25Å; M234-F243 HydrophobicContact CB-CZ 4.47Å; M234-F243 HydrophobicContact CG-CE2 4.01Å; M234-F243 HydrophobicContact CG-CZ 3.66Å; S239-F243 WeakPolarHBondContact O-CD1 3.36Å; S239-F243 WeakPolarHBondContact O-CE1 3.35Å; F243-K339 HydrophobicContact CE2-CD 4.42Å; F243-K339 HydrophobicContact CZ-CD 4.21Å; F243-K339 WeakPolarHBondContact O-CE 3.41Å; F243-V342 HydrophobicContact CD2-CG2 4.4Å; F243-V342 HydrophobicContact CE2-CG2 4.03Å
244	H	96.8	Very high	98.1	Very high	71 Å²	71	19.9 Å²	19.9	33%	0.329	10%	0.103	S	C	.	.	S	Bend	trans	-120.9	-28.2	-173	-68.8	76.1	0	0	0	113.6	E216 V218 V342	E216-H244 PolarHBondContact O-CE1 2.91Å; E216-H244 PolarHBondContact O-ND1 2.74Å; E216-H244 IonicContact OE2-CE1 3.8Å; V218-H244 PolarHBondContact O-N 3.45Å; H244-V342 WeakPolarHBondContact O-CG2 3.49Å
245	N	98.3	Very high	98.1	Very high	11 Å²	11	19.9 Å²	19.9	6%	0.059	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.2	178.3	-64.2	-43.1	0	0	0	109.7	C219 L220 N343 F503 A504	C219-N245 CarbonylContact C-O 3.56Å; C219-N245 VanDerWaalsContact CA-O 3.29Å; C219-N245 WeakPolarHBondContact CA-O 3.47Å; C219-N245 HydrophobicContact CB-CB 4.07Å; C219-N245 PolarHBondContact SG-O 2.73Å; L220-N245 PolarHBondContact N-O 3.31Å; N245-N343 WeakPolarHBondContact CA-O 3.35Å; N245-N343 WeakPolarHBondContact OD1-CB 3.18Å; N245-N343 PolarHBondContact OD1-ND2 2.91Å; N245-F503 HydrophobicContact CB-CE1 3.89Å; N245-F503 HydrophobicContact CB-CZ 4.23Å; N245-F503 PolarHBondContact ND2-O 3.38Å; N245-A504 PolarHBondContact ND2-O 3.33Å
246	G	98.7	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.2	178.5	0	0	0	0	0	112.2	L220 N343 L344 I345 F503	L220-G246 CarbonylContact O-C 3.6Å; L220-G246 VanDerWaalsContact O-CA 3.22Å; L220-G246 WeakPolarHBondContact O-CA 3.32Å; G246-N343 PolarHBondContact N-O 3.33Å; G246-L344 CarbonylContact O-C 3.44Å; G246-L344 VanDerWaalsContact O-CA 3.25Å; G246-L344 WeakPolarHBondContact O-CA 3.41Å; G246-I345 PolarHBondContact O-N 3.45Å; G246-F503 VanDerWaalsContact O-CE1 3.26Å; G246-F503 WeakPolarHBondContact O-CE1 3.25Å; G246-F503 WeakPolarHBondContact O-CZ 3.3Å
247	I	98.9	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	110.2	170.9	-53.3	175	0	0	0	108.1	L220 F221 G222 I230 Q249 I345 W500 F503	L220-I247 PolarHBondContact O-N 2.72Å; F221-I247 WeakPolarHBondContact CA-O 3.34Å; F221-I247 HydrophobicContact CB-CB 3.73Å; F221-I247 HydrophobicContact CB-CD1 4.21Å; F221-I247 HydrophobicContact CB-CG1 4.27Å; G222-I247 PolarHBondContact N-O 3.36Å; G222-I247 VanDerWaalsContact N-O 3.08Å; I230-I247 WeakPolarHBondContact CD1-O 3.34Å; I247-Q249 HydrophobicContact CG2-CG 4.03Å; I247-I345 WeakPolarHBondContact CA-O 3.41Å; I247-I345 HydrophobicContact CB-CB 4.28Å; I247-I345 HydrophobicContact CD1-CD1 4.21Å; I247-I345 HydrophobicContact CG1-CB 4.11Å; I247-I345 HydrophobicContact CG1-CD1 4.18Å; I247-I345 HydrophobicContact CG1-CG1 4.42Å; I247-I345 HydrophobicContact CG2-CB 3.9Å; I247-I345 HydrophobicContact CG2-CG2 3.93Å; I247-W500 HydrophobicContact CD1-CB 4.08Å; I247-W500 VanDerWaalsContact CD1-CD1 3.4Å; I247-W500 HydrophobicContact CD1-CD2 4.16Å; I247-W500 HydrophobicContact CD1-CG 3.62Å; I247-W500 HydrophobicContact CG2-CZ2 4.02Å; I247-F503 HydrophobicContact CD1-CD1 3.79Å; I247-F503 HydrophobicContact CD1-CE1 4.3Å; I247-F503 HydrophobicContact CG1-CD1 3.57Å; I247-F503 HydrophobicContact CG1-CE1 3.57Å
248	L	98.9	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	108	-177.2	-70.1	67.8	0	0	0	107.8	A227 I230 V231 L344 I345 V346 G347 F433	A227-L248 HydrophobicContact CB-CB 4.11Å; I230-L248 HydrophobicContact CG2-CD1 4.04Å; V231-L248 HydrophobicContact CG2-CD2 3.49Å; V231-L248 VanDerWaalsContact CG2-CD2 3.49Å; V231-L248 HydrophobicContact CG2-CG 4.42Å; L248-L344 HydrophobicContact CD1-CB 4.45Å; L248-L344 HydrophobicContact CD1-CD1 3.98Å; L248-L344 HydrophobicContact CD1-CD2 3.64Å; L248-L344 HydrophobicContact CD1-CG 4.25Å; L248-L344 HydrophobicContact CD2-CD1 4.47Å; L248-I345 PolarHBondContact N-O 3.27Å; L248-V346 HydrophobicContact CB-CG2 4.46Å; L248-V346 HydrophobicContact CD2-CG2 4.39Å; L248-V346 CarbonylContact O-C 3.54Å; L248-G347 WeakPolarHBondContact O-CA 3.2Å; L248-G347 PolarHBondContact O-N 3.34Å; L248-F433 HydrophobicContact CD2-CD1 3.85Å; L248-F433 HydrophobicContact CD2-CE1 3.88Å
249	Q	98.8	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	112.7	179.8	-54.8	-179.2	-157.6	0	0	109.2	G222 E223 S224 I247 G251 Y448 E470 W500	G222-Q249 WeakPolarHBondContact O-CB 3.4Å; G222-Q249 PolarHBondContact O-N 2.87Å; E223-Q249 CarbonylContact C-O 3.55Å; E223-Q249 VanDerWaalsContact CA-O 3.23Å; E223-Q249 WeakPolarHBondContact CA-O 3.43Å; E223-Q249 HydrophobicContact CB-CB 3.9Å; E223-Q249 HydrophobicContact CG-CB 3.96Å; S224-Q249 PolarHBondContact N-O 3.11Å; I247-Q249 HydrophobicContact CG2-CG 4.03Å; Q249-G251 VanDerWaalsContact C-N 3.29Å; Q249-G251 PolarHBondContact O-N 3.12Å; Q249-G251 VanDerWaalsContact O-N 3.15Å; Q249-Y448 WeakPolarHBondContact CG-OH 3.39Å; Q249-E470 WeakPolarHBondContact CB-OE1 3.21Å; Q249-E470 PolarHBondContact NE2-OE1 3.01Å; Q249-W500 HydrophobicContact CG-CZ2 4.45Å
250	S	98.5	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	54.1	38.4	174.7	-58.2	0	0	0	0	114.7	G347 E352 F426 H467	S250-G347 WeakPolarHBondContact CA-O 3.31Å; S250-G347 PolarHBondContact N-O 3.36Å; S250-E352 VanDerWaalsContact CB-OE1 3.25Å; S250-E352 WeakPolarHBondContact CB-OE1 3.36Å; S250-E352 VanDerWaalsContact OG-CD 3.32Å; S250-E352 PolarHBondContact OG-OE1 3.35Å; S250-E352 PolarHBondContact OG-OE2 2.88Å; S250-F426 WeakPolarHBondContact O-CD1 3.47Å; S250-H467 VanDerWaalsContact CB-CE1 3.44Å; S250-H467 WeakPolarHBondContact CB-CE1 3.34Å; S250-H467 WeakPolarHBondContact CB-ND1 3.44Å; S250-H467 PolarHBondContact O-CE1 3.44Å
251	G	98.2	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.			trans	-174.7	158.8	177.3	0	0	0	0	0	115.4	A227 Q249	A227-G251 WeakPolarHBondContact CB-O 3.3Å; Q249-G251 VanDerWaalsContact C-N 3.29Å; Q249-G251 PolarHBondContact O-N 3.12Å; Q249-G251 VanDerWaalsContact O-N 3.15Å
252	S	97.4	Very high	97.9	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.007	5%	0.051	C	C	.	.			trans	-152.3	172.8	175	78.4	0	0	0	0	109.2	A228 D254 N255	A228-S252 VanDerWaalsContact CB-O 3.31Å; A228-S252 WeakPolarHBondContact CB-O 3.18Å; S252-D254 PolarHBondContact OG-N 2.99Å; S252-N255 VanDerWaalsContact CA-OD1 3.29Å; S252-N255 WeakPolarHBondContact CA-OD1 3.12Å; S252-N255 WeakPolarHBondContact CB-OD1 3.26Å; S252-N255 PolarHBondContact N-OD1 3.14Å; S252-N255 PolarHBondContact O-OD1 3.1Å; S252-N255 PolarHBondContact OG-OD1 3.27Å
253	L	98.3	Very high	97.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.6	-179.9	-169.4	63.4	0	0	0	113.9	V231 A232 I235 N255 M259 I316 A329 L333	V231-L253 HydrophobicContact CB-CB 3.8Å; V231-L253 HydrophobicContact CG1-CB 3.55Å; V231-L253 HydrophobicContact CG1-CD2 4.38Å; A232-L253 HydrophobicContact CB-CD1 4.39Å; A232-L253 HydrophobicContact CB-CD2 4.29Å; I235-L253 HydrophobicContact CD1-CD2 3.45Å; I235-L253 VanDerWaalsContact CD1-CD2 3.45Å; L253-N255 VanDerWaalsContact C-N 3.29Å; L253-M259 HydrophobicContact CD1-CB 3.92Å; L253-M259 HydrophobicContact CD1-SD 4.21Å; L253-M259 HydrophobicContact CD2-CE 4.18Å; L253-M259 HydrophobicContact CD2-SD 3.93Å; L253-M259 HydrophobicContact CG-CB 4.28Å; L253-M259 HydrophobicContact CG-CE 3.91Å; L253-M259 HydrophobicContact CG-SD 3.94Å; L253-I316 HydrophobicContact CD1-CB 4.48Å; L253-I316 HydrophobicContact CD1-CD1 3.53Å; L253-I316 HydrophobicContact CD1-CG2 4.34Å; L253-A329 HydrophobicContact CD2-CB 4.45Å; L253-L333 HydrophobicContact CB-CD2 4.02Å; L253-L333 HydrophobicContact CG-CD2 4.4Å
254	D	97.3	Very high	97.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.4	-178.9	-152.3	45.8	0	0	0	113.3	S252 F330 L333 H334 D429 W432 R551 R554	S252-D254 PolarHBondContact OG-N 2.99Å; D254-F330 WeakPolarHBondContact OD1-CE2 3.39Å; D254-L333 HydrophobicContact CB-CD2 3.65Å; D254-H334 VanDerWaalsContact CG-NE2 3.33Å; D254-H334 IonicContact OD1-CD2 2.62Å; D254-H334 IonicContact OD1-CE1 3.13Å; D254-H334 IonicContact OD1-NE2 3.43Å; D254-H334 PolarHBondContact OD1-NE2 3.18Å; D254-H334 IonicContact OD2-CE1 2.91Å; D254-H334 IonicContact OD2-NE2 2.75Å; D254-H334 PolarHBondContact OD2-NE2 3.05Å; D254-D429 HydrophobicContact CB-CB 4.42Å; D254-W432 HydrophobicContact CB-CE3 4.2Å; D254-W432 HydrophobicContact CB-CZ3 3.79Å; D254-R551 IonicContact OD2-CZ 3.02Å; D254-R551 IonicContact OD2-NH1 2.91Å; D254-R551 PolarHBondContact OD2-NH1 3.25Å; D254-R551 IonicContact OD2-NH2 3.82Å; D254-R551 PolarHBondContact OD2-NH2 3.36Å; D254-R554 PolarHBondContact O-NE 3.44Å; D254-R554 PolarHBondContact O-NH2 2.9Å; D254-R554 IonicContact OD1-NH2 2.61Å
255	N	97.4	Very high	97.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.083	C	C	.	.	S	Bend	trans	-58	137.2	174.6	-67.7	94.8	0	0	0	109.8	S252 L253 W257 A258 F425 F426 D429	S252-N255 VanDerWaalsContact CA-OD1 3.29Å; S252-N255 WeakPolarHBondContact CA-OD1 3.12Å; S252-N255 WeakPolarHBondContact CB-OD1 3.26Å; S252-N255 PolarHBondContact N-OD1 3.14Å; S252-N255 PolarHBondContact O-OD1 3.1Å; S252-N255 PolarHBondContact OG-OD1 3.27Å; L253-N255 VanDerWaalsContact C-N 3.29Å; N255-W257 HydrophobicContact CB-CD2 4.15Å; N255-W257 HydrophobicContact CB-CG 4.49Å; N255-W257 HydrophobicContact CB-CH2 4.4Å; N255-W257 HydrophobicContact CB-CZ2 3.72Å; N255-W257 PolarHBondContact O-N 2.83Å; N255-A258 HydrophobicContact CB-CB 4.18Å; N255-A258 WeakPolarHBondContact O-CB 3.39Å; N255-A258 PolarHBondContact O-N 3.21Å; N255-F425 PolarHBondContact ND2-O 3.18Å; N255-F426 VanDerWaalsContact ND2-CA 3.34Å; N255-F426 WeakPolarHBondContact ND2-CA 3.5Å; N255-F426 PolarHBondContact ND2-O 3.19Å; N255-D429 WeakPolarHBondContact CA-OD2 3.43Å
256	P	95.1	Very high	97.7	Very high	26 Å²	26	18.2 Å²	18.2	17%	0.169	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.6	-172.4	-26.6	33.7	0	0	0	115.2	Y424 F425	P256-Y424 HydrophobicContact CG-CE1 3.83Å; P256-Y424 WeakPolarHBondContact CG-OH 3.49Å; P256-F425 HydrophobicContact CB-CD1 4.48Å; P256-F425 HydrophobicContact CB-CE1 4.47Å; P256-F425 HydrophobicContact CG-CD1 4.36Å
257	W	96.7	Very high	97.7	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.011	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.4	178.8	54.8	-104.1	0	0	0	113.6	F145 S224 A225 A228 N255 L310 F312 V315 F425 F426	F145-W257 HydrophobicContact CE2-CE3 4.43Å; F145-W257 HydrophobicContact CE2-CZ3 4.16Å; S224-W257 VanDerWaalsContact C-CH2 3.42Å; S224-W257 WeakPolarHBondContact O-CH2 3.22Å; A225-W257 HydrophobicContact CB-CZ3 4.38Å; A228-W257 HydrophobicContact CB-CH2 4.2Å; A228-W257 HydrophobicContact CB-CZ3 4.16Å; N255-W257 HydrophobicContact CB-CD2 4.15Å; N255-W257 HydrophobicContact CB-CG 4.49Å; N255-W257 HydrophobicContact CB-CH2 4.4Å; N255-W257 HydrophobicContact CB-CZ2 3.72Å; N255-W257 PolarHBondContact O-N 2.83Å; W257-L310 HydrophobicContact CB-CD2 3.97Å; W257-L310 WeakPolarHBondContact CB-O 3.46Å; W257-L310 HydrophobicContact CG-CD2 3.88Å; W257-F312 HydrophobicContact CB-CD2 3.88Å; W257-F312 HydrophobicContact CB-CE2 3.77Å; W257-F312 HydrophobicContact CD2-CE2 4.31Å; W257-F312 HydrophobicContact CE3-CE2 4.29Å; W257-F312 HydrophobicContact CG-CE2 4.11Å; W257-V315 WeakPolarHBondContact O-CG1 3Å; W257-F425 PolarHBondContact NE1-O 3.2Å; W257-F426 AromaticContact CE2-CE1 3.65Å; W257-F426 AromaticContact CZ2-CD1 3.92Å; W257-F426 HydrophobicContact CZ2-CD1 3.92Å; W257-F426 AromaticContact CZ2-CE1 3.69Å; W257-F426 HydrophobicContact CZ2-CE1 3.69Å; W257-F426 AromaticContact NE1-CD1 3.81Å; W257-F426 AromaticContact NE1-CE1 3.34Å; W257-F426 VanDerWaalsContact NE1-CE1 3.34Å; W257-F426 AromaticContact NE1-CZ 3.66Å
258	A	98.5	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-37.7	-168.9	0	0	0	0	0	113.6	A228 N255 I316	A228-A258 HydrophobicContact CB-CB 3.86Å; N255-A258 HydrophobicContact CB-CB 4.18Å; N255-A258 WeakPolarHBondContact O-CB 3.39Å; N255-A258 PolarHBondContact O-N 3.21Å; A258-I316 WeakPolarHBondContact O-CB 3.46Å; A258-I316 PolarHBondContact O-N 3.12Å
259	M	98.2	Very high	97.6	Very high	22 Å²	22	22.1 Å²	22.1	11%	0.108	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.8	-171.5	-178.9	172.9	56.6	0	0	112.7	L253 I316 A329 F330 L333	L253-M259 HydrophobicContact CD1-CB 3.92Å; L253-M259 HydrophobicContact CD1-SD 4.21Å; L253-M259 HydrophobicContact CD2-CE 4.18Å; L253-M259 HydrophobicContact CD2-SD 3.93Å; L253-M259 HydrophobicContact CG-CB 4.28Å; L253-M259 HydrophobicContact CG-CE 3.91Å; L253-M259 HydrophobicContact CG-SD 3.94Å; M259-I316 CarbonylContact C-O 3.16Å; M259-I316 VanDerWaalsContact CA-O 3.24Å; M259-I316 WeakPolarHBondContact CA-O 3.3Å; M259-I316 HydrophobicContact CB-CB 4.41Å; M259-I316 HydrophobicContact CG-CG2 4.23Å; M259-A329 HydrophobicContact SD-CB 3.76Å; M259-F330 HydrophobicContact CE-CB 3.63Å; M259-F330 HydrophobicContact CE-CD2 3.94Å; M259-F330 HydrophobicContact CE-CG 4.04Å; M259-F330 HydrophobicContact SD-CB 4.36Å; M259-L333 HydrophobicContact CE-CD2 4.49Å
260	E	97.4	Very high	97.6	Very high	11 Å²	11	26.5 Å²	26.5	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154.7	177.3	-67	-167.8	148.2	0	0	112.7	K264 A265 K268 V315 I316 V317 S318	E260-K264 HydrophobicContact CB-CB 4.38Å; E260-K264 HydrophobicContact CB-CD 4.34Å; E260-K264 HydrophobicContact CG-CD 3.98Å; E260-K264 HydrophobicContact CG-CG 4.48Å; E260-K264 WeakPolarHBondContact OE1-CD 3.45Å; E260-K264 WeakPolarHBondContact OE1-CE 3.21Å; E260-K264 IonicContact OE1-NZ 2.81Å; E260-K264 PolarHBondContact OE1-NZ 3.29Å; E260-A265 HydrophobicContact CB-CB 4.48Å; E260-K268 WeakPolarHBondContact OE1-CE 3.38Å; E260-K268 IonicContact OE1-NZ 3.27Å; E260-K268 PolarHBondContact OE1-NZ 3.27Å; E260-K268 IonicContact OE2-NZ 2.73Å; E260-V315 HydrophobicContact CB-CG2 4.37Å; E260-V315 HydrophobicContact CG-CG2 3.6Å; E260-I316 PolarHBondContact N-O 2.88Å; E260-V317 CarbonylContact O-C 3.53Å; E260-V317 WeakPolarHBondContact O-CA 3.34Å; E260-S318 PolarHBondContact O-N 2.78Å
261	T	97	Very high	97.6	Very high	29 Å²	29	27.8 Å²	27.8	18%	0.178	14%	0.14	C	C	.	.			trans	-71.7	155.2	170.2	67.3	0	0	0	0	110.2	E263 K264 A265 F330 Y561	T261-E263 PolarHBondContact O-N 2.92Å; T261-K264 PolarHBondContact O-N 2.9Å; T261-K264 VanDerWaalsContact O-N 3.12Å; T261-K264 PolarHBondContact OG1-N 3.13Å; T261-A265 PolarHBondContact O-N 3.15Å; T261-F330 HydrophobicContact CG2-CD1 4.49Å; T261-Y561 HydrophobicContact CG2-CD2 3.37Å; T261-Y561 HydrophobicContact CG2-CE2 3.4Å; T261-Y561 VanDerWaalsContact CG2-CE2 3.4Å; T261-Y561 HydrophobicContact CG2-CG 4.01Å
262	P	97.4	Very high	97.6	Very high	12 Å²	12	27.8 Å²	27.8	8%	0.078	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-35.8	177.5	-28.7	37	0	0	0	113.6	F182 L266 V317 S318 R319	F182-P262 HydrophobicContact CE1-CB 3.76Å; F182-P262 WeakPolarHBondContact CE1-O 3.25Å; F182-P262 HydrophobicContact CZ-CB 3.9Å; P262-L266 WeakPolarHBondContact O-CB 3.38Å; P262-L266 PolarHBondContact O-N 3.19Å; P262-V317 HydrophobicContact CB-CG2 4.26Å; P262-V317 HydrophobicContact CG-CG2 4.06Å; P262-S318 WeakPolarHBondContact CD-OG 3.39Å; P262-R319 HydrophobicContact CG-CB 3.85Å
263	E	96.7	Very high	97.7	Very high	144 Å²	144	27.9 Å²	27.9	67%	0.673	14%	0.14	S	C	*	.	H	α-helix	trans	-62.7	-47.8	177.1	-178.8	-179.4	-179.8	0	0	111.6	T261 L266 N267	T261-E263 PolarHBondContact O-N 2.92Å; E263-L266 PolarHBondContact O-N 3.11Å; E263-N267 WeakPolarHBondContact O-CB 3.45Å; E263-N267 PolarHBondContact O-N 3.47Å
264	K	96.7	Very high	97.7	Very high	74 Å²	74	33.8 Å²	33.8	32%	0.322	16%	0.163	S	C	.	.	H	α-helix	trans	-66.4	-45.9	-179.8	-172.4	178.6	-179.2	-152.3	0	111.3	E260 T261 L266 N267 K268 E311	E260-K264 HydrophobicContact CB-CB 4.38Å; E260-K264 HydrophobicContact CB-CD 4.34Å; E260-K264 HydrophobicContact CG-CD 3.98Å; E260-K264 HydrophobicContact CG-CG 4.48Å; E260-K264 WeakPolarHBondContact OE1-CD 3.45Å; E260-K264 WeakPolarHBondContact OE1-CE 3.21Å; E260-K264 IonicContact OE1-NZ 2.81Å; E260-K264 PolarHBondContact OE1-NZ 3.29Å; T261-K264 PolarHBondContact O-N 2.9Å; T261-K264 VanDerWaalsContact O-N 3.12Å; T261-K264 PolarHBondContact OG1-N 3.13Å; K264-L266 PolarHBondContact O-N 2.88Å; K264-N267 WeakPolarHBondContact O-CB 3.38Å; K264-N267 PolarHBondContact O-N 2.87Å; K264-K268 PolarHBondContact O-N 3.05Å; K264-E311 WeakPolarHBondContact CE-OE1 3.38Å; K264-E311 IonicContact NZ-OE1 2.71Å; K264-E311 PolarHBondContact NZ-OE1 2.86Å
265	A	98.3	Very high	97.7	Very high	9 Å²	9	36 Å²	36	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-43.9	177.3	0	0	0	0	0	111.7	F182 E260 T261 N267 K268 A269 V317	F182-A265 HydrophobicContact CB-CB 4.06Å; F182-A265 HydrophobicContact CD1-CB 3.89Å; F182-A265 HydrophobicContact CG-CB 4.26Å; E260-A265 HydrophobicContact CB-CB 4.48Å; T261-A265 PolarHBondContact O-N 3.15Å; A265-N267 PolarHBondContact O-N 3.26Å; A265-K268 PolarHBondContact O-N 3.41Å; A265-A269 WeakPolarHBondContact O-CB 3.47Å; A265-A269 PolarHBondContact O-N 3.19Å; A265-V317 HydrophobicContact CB-CB 4.23Å; A265-V317 HydrophobicContact CB-CG2 3.95Å
266	L	97.9	Very high	97.8	Very high	49 Å²	49	36.9 Å²	36.9	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-65.9	-38.4	177.6	-174.1	63.4	0	0	0	111.8	F182 L183 P262 E263 K264 A269 Q270	F182-L266 HydrophobicContact CD1-CB 4.11Å; F182-L266 HydrophobicContact CE1-CB 4.19Å; L183-L266 HydrophobicContact CD2-CD1 4.43Å; P262-L266 WeakPolarHBondContact O-CB 3.38Å; P262-L266 PolarHBondContact O-N 3.19Å; E263-L266 PolarHBondContact O-N 3.11Å; K264-L266 PolarHBondContact O-N 2.88Å; L266-A269 PolarHBondContact O-N 2.9Å; L266-Q270 VanDerWaalsContact O-CG 3.3Å; L266-Q270 WeakPolarHBondContact O-CG 3.29Å; L266-Q270 PolarHBondContact O-N 3.34Å
267	N	98	Very high	97.9	Very high	76 Å²	76	44.3 Å²	44.3	41%	0.406	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-43.9	176.3	-176.3	-92.1	0	0	0	111.9	E263 K264 A265 Q270 Q271	E263-N267 WeakPolarHBondContact O-CB 3.45Å; E263-N267 PolarHBondContact O-N 3.47Å; K264-N267 WeakPolarHBondContact O-CB 3.38Å; K264-N267 PolarHBondContact O-N 2.87Å; A265-N267 PolarHBondContact O-N 3.26Å; N267-Q270 PolarHBondContact O-N 3.4Å; N267-Q271 WeakPolarHBondContact O-CG 3.25Å; N267-Q271 PolarHBondContact O-N 3.39Å; N267-Q271 VanDerWaalsContact O-N 3.09Å; N267-Q271 PolarHBondContact OD1-NE2 2.81Å
268	K	98.4	Very high	98	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.022	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-44	173.3	-72.8	-173.4	176.8	171.7	0	111.8	E260 K264 A265 Q270 Q271 F272 V305 E311 F312 P313	E260-K268 WeakPolarHBondContact OE1-CE 3.38Å; E260-K268 IonicContact OE1-NZ 3.27Å; E260-K268 PolarHBondContact OE1-NZ 3.27Å; E260-K268 IonicContact OE2-NZ 2.73Å; K264-K268 PolarHBondContact O-N 3.05Å; A265-K268 PolarHBondContact O-N 3.41Å; K268-Q270 VanDerWaalsContact C-N 3.28Å; K268-Q270 PolarHBondContact O-N 2.71Å; K268-Q271 PolarHBondContact O-N 3.45Å; K268-Q271 VanDerWaalsContact O-N 3.16Å; K268-F272 WeakPolarHBondContact O-CB 3.47Å; K268-F272 PolarHBondContact O-N 3.38Å; K268-V305 WeakPolarHBondContact O-CG1 3.38Å; K268-E311 WeakPolarHBondContact CE-OE1 3.3Å; K268-E311 IonicContact NZ-OE1 3.41Å; K268-E311 PolarHBondContact NZ-OE1 2.92Å; K268-F312 PolarHBondContact NZ-O 2.94Å; K268-P313 VanDerWaalsContact CD-O 3.22Å; K268-P313 WeakPolarHBondContact CD-O 3.48Å
269	A	98.3	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-37.3	176.9	0	0	0	0	0	112.7	L181 F182 L183 A265 L266 F272 A273	L181-A269 HydrophobicContact CD1-CB 3.73Å; F182-A269 WeakPolarHBondContact O-CB 3.34Å; L183-A269 HydrophobicContact CD2-CB 3.79Å; A265-A269 WeakPolarHBondContact O-CB 3.47Å; A265-A269 PolarHBondContact O-N 3.19Å; L266-A269 PolarHBondContact O-N 2.9Å; A269-F272 PolarHBondContact O-N 3.16Å; A269-A273 WeakPolarHBondContact O-CB 3.37Å; A269-A273 PolarHBondContact O-N 3.15Å
270	Q	98.2	Very high	97.7	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-69.9	-39	175	-72.2	170.4	-12.3	0	0	113.1	L266 N267 K268 R274	L266-Q270 VanDerWaalsContact O-CG 3.3Å; L266-Q270 WeakPolarHBondContact O-CG 3.29Å; L266-Q270 PolarHBondContact O-N 3.34Å; N267-Q270 PolarHBondContact O-N 3.4Å; K268-Q270 VanDerWaalsContact C-N 3.28Å; K268-Q270 PolarHBondContact O-N 2.71Å; Q270-R274 WeakPolarHBondContact O-CB 3.47Å; Q270-R274 WeakPolarHBondContact O-CG 3.29Å; Q270-R274 PolarHBondContact O-N 2.87Å; Q270-R274 PolarHBondContact O-NE 3.37Å
271	Q	98.5	Very high	97.5	Very high	28 Å²	28	60.4 Å²	60.4	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-45.4	172.6	-68.8	176.8	59.8	0	0	110.9	N267 K268 R274 S275 V305 N306	N267-Q271 WeakPolarHBondContact O-CG 3.25Å; N267-Q271 PolarHBondContact O-N 3.39Å; N267-Q271 VanDerWaalsContact O-N 3.09Å; N267-Q271 PolarHBondContact OD1-NE2 2.81Å; K268-Q271 PolarHBondContact O-N 3.45Å; K268-Q271 VanDerWaalsContact O-N 3.16Å; Q271-R274 WeakPolarHBondContact O-CB 3.39Å; Q271-R274 PolarHBondContact O-N 3.38Å; Q271-S275 PolarHBondContact O-N 3.43Å; Q271-V305 HydrophobicContact CB-CB 4.44Å; Q271-V305 HydrophobicContact CB-CG1 4.09Å; Q271-N306 VanDerWaalsContact OE1-CG 3.24Å; Q271-N306 PolarHBondContact OE1-ND2 2.88Å
272	F	98.5	Very high	97.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-50.1	175.9	174.6	-103.4	0	0	0	112.1	V177 L181 K268 A269 R274 S275 L276 L290 L298 A301 I302 V305 F314	V177-F272 HydrophobicContact CB-CZ 4.21Å; V177-F272 HydrophobicContact CG2-CD1 4.37Å; V177-F272 HydrophobicContact CG2-CE1 3.53Å; V177-F272 HydrophobicContact CG2-CZ 3.62Å; L181-F272 HydrophobicContact CD1-CD1 4.39Å; K268-F272 WeakPolarHBondContact O-CB 3.47Å; K268-F272 PolarHBondContact O-N 3.38Å; A269-F272 PolarHBondContact O-N 3.16Å; F272-R274 VanDerWaalsContact C-N 3.31Å; F272-R274 PolarHBondContact O-N 3.47Å; F272-S275 WeakPolarHBondContact O-CB 3.39Å; F272-S275 PolarHBondContact O-N 3.41Å; F272-S275 VanDerWaalsContact O-N 3.1Å; F272-S275 PolarHBondContact O-OG 3.29Å; F272-L276 HydrophobicContact CD1-CD1 4.41Å; F272-L276 HydrophobicContact CE1-CD1 3.74Å; F272-L276 HydrophobicContact CE2-CD1 3.94Å; F272-L276 HydrophobicContact CZ-CD1 3.47Å; F272-L276 VanDerWaalsContact CZ-CD1 3.47Å; F272-L276 PolarHBondContact O-N 3.09Å; F272-L290 HydrophobicContact CD1-CD2 4.37Å; F272-L290 HydrophobicContact CE1-CD2 3.89Å; F272-L298 HydrophobicContact CE1-CD2 4.07Å; F272-L298 VanDerWaalsContact CE2-O 3.27Å; F272-L298 WeakPolarHBondContact CE2-O 3.48Å; F272-L298 HydrophobicContact CZ-CB 4.37Å; F272-L298 HydrophobicContact CZ-CD2 3.88Å; F272-L298 WeakPolarHBondContact CZ-O 3.31Å; F272-A301 HydrophobicContact CD2-CB 4.26Å; F272-A301 WeakPolarHBondContact CD2-O 3.33Å; F272-A301 HydrophobicContact CE2-CB 3.7Å; F272-I302 HydrophobicContact CE2-CG2 4.24Å; F272-V305 HydrophobicContact CB-CG1 3.9Å; F272-F314 HydrophobicContact CB-CZ 3.74Å; F272-F314 HydrophobicContact CD1-CZ 4Å; F272-F314 HydrophobicContact CD2-CE2 4.04Å; F272-F314 AromaticContact CD2-CZ 3.88Å; F272-F314 HydrophobicContact CD2-CZ 3.88Å; F272-F314 HydrophobicContact CE2-CE2 4.35Å; F272-F314 HydrophobicContact CE2-CZ 4.48Å; F272-F314 HydrophobicContact CG-CE2 4.23Å; F272-F314 AromaticContact CG-CZ 3.6Å; F272-F314 HydrophobicContact CG-CZ 3.6Å
273	A	98.5	Very high	97.5	Very high	2 Å²	2	67 Å²	67	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-58.4	-42.2	177.3	0	0	0	0	0	112	A269 S275 L276 K277 C278 T286	A269-A273 WeakPolarHBondContact O-CB 3.37Å; A269-A273 PolarHBondContact O-N 3.15Å; A273-S275 PolarHBondContact O-N 3.18Å; A273-L276 PolarHBondContact O-N 3.42Å; A273-K277 PolarHBondContact O-N 3.07Å; A273-C278 HydrophobicContact CB-CB 4.42Å; A273-C278 WeakPolarHBondContact O-CA 3.38Å; A273-C278 PolarHBondContact O-N 2.73Å; A273-T286 HydrophobicContact CB-CG2 3.93Å
274	R	98.3	Very high	97.5	Very high	126 Å²	126	63.8 Å²	63.8	48%	0.475	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-44.5	173.5	-82.3	-176.8	-74.1	-163.7	1.7	112.6	Q270 Q271 F272 L276 K277 D279	Q270-R274 WeakPolarHBondContact O-CB 3.47Å; Q270-R274 WeakPolarHBondContact O-CG 3.29Å; Q270-R274 PolarHBondContact O-N 2.87Å; Q270-R274 PolarHBondContact O-NE 3.37Å; Q271-R274 WeakPolarHBondContact O-CB 3.39Å; Q271-R274 PolarHBondContact O-N 3.38Å; F272-R274 VanDerWaalsContact C-N 3.31Å; F272-R274 PolarHBondContact O-N 3.47Å; R274-L276 PolarHBondContact O-N 3.47Å; R274-L276 VanDerWaalsContact O-N 3.13Å; R274-K277 PolarHBondContact O-N 3.1Å; R274-D279 HydrophobicContact CB-CB 4.24Å; R274-D279 HydrophobicContact CG-CB 3.34Å; R274-D279 WeakPolarHBondContact CG-OD2 3.28Å
275	S	98.3	Very high	97.5	Very high	48 Å²	48	62.5 Å²	62.5	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-26.9	-179.7	81.4	0	0	0	0	112.8	Q271 F272 A273	Q271-S275 PolarHBondContact O-N 3.43Å; F272-S275 WeakPolarHBondContact O-CB 3.39Å; F272-S275 PolarHBondContact O-N 3.41Å; F272-S275 VanDerWaalsContact O-N 3.1Å; F272-S275 PolarHBondContact O-OG 3.29Å; A273-S275 PolarHBondContact O-N 3.18Å
276	L	98.3	Very high	97.5	Very high	18 Å²	18	62.5 Å²	62.5	9%	0.094	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.9	178.7	-70.3	172.2	0	0	0	114.4	F272 A273 R274 C278 L290 K293 L298 A301	F272-L276 HydrophobicContact CD1-CD1 4.41Å; F272-L276 HydrophobicContact CE1-CD1 3.74Å; F272-L276 HydrophobicContact CE2-CD1 3.94Å; F272-L276 HydrophobicContact CZ-CD1 3.47Å; F272-L276 VanDerWaalsContact CZ-CD1 3.47Å; F272-L276 PolarHBondContact O-N 3.09Å; A273-L276 PolarHBondContact O-N 3.42Å; R274-L276 PolarHBondContact O-N 3.47Å; R274-L276 VanDerWaalsContact O-N 3.13Å; L276-C278 VanDerWaalsContact C-N 3.28Å; L276-L290 HydrophobicContact CD1-CD2 3.79Å; L276-K293 WeakPolarHBondContact O-CE 3.17Å; L276-K293 PolarHBondContact O-NZ 3.14Å; L276-L298 HydrophobicContact CD1-CD2 3.76Å; L276-A301 HydrophobicContact CD1-CB 4.15Å; L276-A301 HydrophobicContact CD2-CB 3.74Å; L276-A301 HydrophobicContact CG-CB 3.91Å
277	K	98.2	Very high	97.5	Very high	183 Å²	183	61.1 Å²	61.1	80%	0.796	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	39.5	-172.9	-52.5	175.3	-179.1	176.3	0	112.4	A273 R274	A273-K277 PolarHBondContact O-N 3.07Å; R274-K277 PolarHBondContact O-N 3.1Å
278	C	98.3	Very high	97.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.			trans	-113.6	10.6	177.9	-71.7	0	0	0	0	112.8	A273 L276 N280 T286 C289 L290	A273-C278 HydrophobicContact CB-CB 4.42Å; A273-C278 WeakPolarHBondContact O-CA 3.38Å; A273-C278 PolarHBondContact O-N 2.73Å; L276-C278 VanDerWaalsContact C-N 3.28Å; C278-N280 PolarHBondContact O-N 3.24Å; C278-N280 PolarHBondContact O-ND2 2.69Å; C278-T286 WeakPolarHBondContact O-CA 3.47Å; C278-T286 WeakPolarHBondContact O-CB 3.39Å; C278-T286 WeakPolarHBondContact O-CG2 3.35Å; C278-T286 PolarHBondContact O-OG1 2.96Å; C278-T286 VanDerWaalsContact O-OG1 3.06Å; C278-C289 WeakPolarHBondContact CA-SG 3.38Å; C278-C289 HydrophobicContact CB-CB 3.57Å; C278-C289 WeakPolarHBondContact CB-SG 3.34Å; C278-C289 WeakPolarHBondContact SG-CB 3.37Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.2Å; C278-L290 HydrophobicContact CB-CD2 3.84Å; C278-L290 HydrophobicContact CB-CG 4.07Å
279	D	95.2	Very high	97.5	Very high	92 Å²	92	64.5 Å²	64.5	49%	0.492	33%	0.33	S	S	.	.			trans	-76.2	86	177	59.6	-55	0	0	0	111.8	R274	R274-D279 HydrophobicContact CB-CB 4.24Å; R274-D279 HydrophobicContact CG-CB 3.34Å; R274-D279 WeakPolarHBondContact CG-OD2 3.28Å
280	N	96	Very high	97.5	Very high	78 Å²	78	64.6 Å²	64.6	42%	0.417	33%	0.33	S	S	.	.			trans	-98.9	157.6	177.5	-62.9	-92.1	0	0	0	110.7	C278 L282 T286	C278-N280 PolarHBondContact O-N 3.24Å; C278-N280 PolarHBondContact O-ND2 2.69Å; N280-L282 VanDerWaalsContact C-N 3.29Å; N280-L282 PolarHBondContact O-N 3Å; N280-T286 PolarHBondContact N-OG1 3.36Å; N280-T286 VanDerWaalsContact N-OG1 3.15Å; N280-T286 PolarHBondContact O-OG1 2.96Å
281	E	93.1	Very high	97.5	Very high	204 Å²	204	62.2 Å²	62.2	95%	0.953	32%	0.32	S	S	*	.	S	Bend	trans	-61.7	-38.5	174.3	-64.6	-174.6	168	0	0	112.1
282	L	96.5	Very high	97.4	Very high	112 Å²	112	66.3 Å²	66.3	59%	0.586	34%	0.342	S	S	*	.	S	Bend	trans	-92.3	128.9	176.9	-63.9	176.3	0	0	0	110.7	N280 S284 S285 T286	N280-L282 VanDerWaalsContact C-N 3.29Å; N280-L282 PolarHBondContact O-N 3Å; L282-S284 PolarHBondContact O-N 3.4Å; L282-S285 WeakPolarHBondContact O-CB 3.33Å; L282-S285 PolarHBondContact O-N 3.4Å; L282-T286 PolarHBondContact O-N 3.41Å; L282-T286 VanDerWaalsContact O-N 3.11Å
283	V	96.7	Very high	97.4	Very high	67 Å²	67	68.5 Å²	68.5	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-56.8	-39.5	176.1	178.5	0	0	0	0	111.3	L183 D185 S285 T286 I287	L183-V283 HydrophobicContact CB-CG1 4.09Å; D185-V283 HydrophobicContact CB-CG1 4.05Å; V283-S285 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 3.41Å; V283-T286 WeakPolarHBondContact O-CB 3.29Å; V283-T286 PolarHBondContact O-N 2.94Å; V283-T286 VanDerWaalsContact O-N 3.16Å; V283-I287 HydrophobicContact CG1-CD1 3.89Å; V283-I287 HydrophobicContact CG1-CG1 4.28Å; V283-I287 VanDerWaalsContact O-CG1 3.31Å; V283-I287 WeakPolarHBondContact O-CG1 3.49Å; V283-I287 PolarHBondContact O-N 3.06Å
284	S	96.9	Very high	97.3	Very high	76 Å²	76	70.9 Å²	70.9	53%	0.531	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-38.7	176.6	55.3	0	0	0	0	113.3	L282 I287 H288	L282-S284 PolarHBondContact O-N 3.4Å; S284-I287 PolarHBondContact O-N 3.47Å; S284-H288 WeakPolarHBondContact O-CB 3.43Å; S284-H288 PolarHBondContact O-N 3.2Å
285	S	98	Very high	97.3	Very high	47 Å²	47	65.4 Å²	65.4	33%	0.329	35%	0.35	S	S	.	.	H	α-helix	trans	-69.6	-38.9	175.4	-61.8	0	0	0	0	111.8	L282 V283 H288 C289	L282-S285 WeakPolarHBondContact O-CB 3.33Å; L282-S285 PolarHBondContact O-N 3.4Å; V283-S285 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 3.41Å; S285-H288 PolarHBondContact O-N 3.02Å; S285-C289 WeakPolarHBondContact O-CB 3.49Å; S285-C289 PolarHBondContact O-N 3.45Å
286	T	98.3	Very high	97.2	Very high	10 Å²	10	65.3 Å²	65.3	6%	0.061	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-47.8	172.4	-63.3	0	0	0	0	111	L183 A273 C278 N280 L282 V283 H288 C289 L290	L183-T286 HydrophobicContact CD1-CG2 4.24Å; A273-T286 HydrophobicContact CB-CG2 3.93Å; C278-T286 WeakPolarHBondContact O-CA 3.47Å; C278-T286 WeakPolarHBondContact O-CB 3.39Å; C278-T286 WeakPolarHBondContact O-CG2 3.35Å; C278-T286 PolarHBondContact O-OG1 2.96Å; C278-T286 VanDerWaalsContact O-OG1 3.06Å; N280-T286 PolarHBondContact N-OG1 3.36Å; N280-T286 VanDerWaalsContact N-OG1 3.15Å; N280-T286 PolarHBondContact O-OG1 2.96Å; L282-T286 PolarHBondContact O-N 3.41Å; L282-T286 VanDerWaalsContact O-N 3.11Å; V283-T286 WeakPolarHBondContact O-CB 3.29Å; V283-T286 PolarHBondContact O-N 2.94Å; V283-T286 VanDerWaalsContact O-N 3.16Å; T286-H288 PolarHBondContact O-N 2.74Å; T286-C289 PolarHBondContact O-N 2.79Å; T286-L290 HydrophobicContact CG2-CD1 4.11Å; T286-L290 WeakPolarHBondContact O-CG 3.39Å; T286-L290 PolarHBondContact O-N 2.75Å
287	I	97.9	Very high	97.2	Very high	20 Å²	20	68.6 Å²	68.6	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-58	-51.4	175.3	-66.1	168.2	0	0	0	110	L183 D185 V188 V283 S284 C289 L290 M291	L183-I287 HydrophobicContact CD1-CD1 4.48Å; L183-I287 HydrophobicContact CD1-CG1 3.62Å; D185-I287 HydrophobicContact CB-CD1 3.99Å; V188-I287 HydrophobicContact CB-CD1 4.46Å; V188-I287 HydrophobicContact CG2-CB 4.49Å; V188-I287 HydrophobicContact CG2-CD1 3.82Å; V188-I287 HydrophobicContact CG2-CG1 3.7Å; V188-I287 HydrophobicContact CG2-CG2 4.02Å; V283-I287 HydrophobicContact CG1-CD1 3.89Å; V283-I287 HydrophobicContact CG1-CG1 4.28Å; V283-I287 VanDerWaalsContact O-CG1 3.31Å; V283-I287 WeakPolarHBondContact O-CG1 3.49Å; V283-I287 PolarHBondContact O-N 3.06Å; S284-I287 PolarHBondContact O-N 3.47Å; I287-C289 VanDerWaalsContact C-N 3.3Å; I287-C289 PolarHBondContact O-N 3.21Å; I287-L290 PolarHBondContact O-N 2.78Å; I287-M291 HydrophobicContact CG2-CG 4.03Å; I287-M291 WeakPolarHBondContact O-CB 3.41Å; I287-M291 WeakPolarHBondContact O-CG 3.46Å; I287-M291 PolarHBondContact O-N 3.3Å
288	H	97.7	Very high	97.2	Very high	121 Å²	121	59.9 Å²	59.9	56%	0.56	33%	0.326	S	S	*	.	H	α-helix	trans	-58.7	-41.2	-179.6	-173.2	71	0	0	0	112.6	S284 S285 T286 M291 N292	S284-H288 WeakPolarHBondContact O-CB 3.43Å; S284-H288 PolarHBondContact O-N 3.2Å; S285-H288 PolarHBondContact O-N 3.02Å; T286-H288 PolarHBondContact O-N 2.74Å; H288-M291 PolarHBondContact O-N 2.96Å; H288-N292 PolarHBondContact CD2-ND2 2.97Å; H288-N292 PolarHBondContact NE2-ND2 3.35Å; H288-N292 VanDerWaalsContact NE2-ND2 3.13Å; H288-N292 PolarHBondContact O-N 3.39Å; H288-N292 PolarHBondContact O-ND2 3.36Å
289	C	98.4	Very high	97.1	Very high	31 Å²	31	60.1 Å²	60.1	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-48.1	176.1	-176.5	0	0	0	0	112.2	C278 S285 T286 I287 M291 N292 K293	C278-C289 WeakPolarHBondContact CA-SG 3.38Å; C278-C289 HydrophobicContact CB-CB 3.57Å; C278-C289 WeakPolarHBondContact CB-SG 3.34Å; C278-C289 WeakPolarHBondContact SG-CB 3.37Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.2Å; S285-C289 WeakPolarHBondContact O-CB 3.49Å; S285-C289 PolarHBondContact O-N 3.45Å; T286-C289 PolarHBondContact O-N 2.79Å; I287-C289 VanDerWaalsContact C-N 3.3Å; I287-C289 PolarHBondContact O-N 3.21Å; C289-M291 VanDerWaalsContact C-N 3.32Å; C289-M291 PolarHBondContact O-N 3.47Å; C289-N292 PolarHBondContact O-N 2.9Å; C289-K293 PolarHBondContact O-N 2.99Å
290	L	98.2	Very high	97.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-36.1	178.4	-67.3	175.6	0	0	0	112.2	F71 L181 L183 F272 L276 C278 T286 I287 N292 K293 L298	F71-L290 HydrophobicContact CE2-CB 4.11Å; L181-L290 HydrophobicContact CD2-CD1 3.97Å; L183-L290 HydrophobicContact CD1-CD1 4.3Å; F272-L290 HydrophobicContact CD1-CD2 4.37Å; F272-L290 HydrophobicContact CE1-CD2 3.89Å; L276-L290 HydrophobicContact CD1-CD2 3.79Å; C278-L290 HydrophobicContact CB-CD2 3.84Å; C278-L290 HydrophobicContact CB-CG 4.07Å; T286-L290 HydrophobicContact CG2-CD1 4.11Å; T286-L290 WeakPolarHBondContact O-CG 3.39Å; T286-L290 PolarHBondContact O-N 2.75Å; I287-L290 PolarHBondContact O-N 2.78Å; L290-N292 VanDerWaalsContact C-N 3.25Å; L290-N292 PolarHBondContact O-N 3.37Å; L290-K293 WeakPolarHBondContact O-CB 3.38Å; L290-K293 PolarHBondContact O-N 2.05Å; L290-L298 HydrophobicContact CB-CD2 4.4Å; L290-L298 HydrophobicContact CD2-CD2 3.97Å
291	M	97.2	Very high	97.3	Very high	43 Å²	43	56.8 Å²	56.8	21%	0.212	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-30.2	175.6	-70.6	-68.2	-70.3	0	0	112.8	G67 Q68 R70 F71 I287 H288 C289 K293	G67-M291 WeakPolarHBondContact O-CE 3.02Å; Q68-M291 VanDerWaalsContact CA-CE 3.4Å; R70-M291 HydrophobicContact CB-CE 4.27Å; R70-M291 HydrophobicContact CB-SD 3.93Å; R70-M291 PolarHBondContact NH1-O 3.15Å; F71-M291 HydrophobicContact CD2-CG 4.22Å; F71-M291 HydrophobicContact CD2-SD 3.36Å; F71-M291 WeakPolarHBondContact CD2-SD 3.39Å; F71-M291 HydrophobicContact CE2-CG 4.31Å; F71-M291 HydrophobicContact CE2-SD 3.68Å; F71-M291 HydrophobicContact CG-SD 4.35Å; I287-M291 HydrophobicContact CG2-CG 4.03Å; I287-M291 WeakPolarHBondContact O-CB 3.41Å; I287-M291 WeakPolarHBondContact O-CG 3.46Å; I287-M291 PolarHBondContact O-N 3.3Å; H288-M291 PolarHBondContact O-N 2.96Å; C289-M291 VanDerWaalsContact C-N 3.32Å; C289-M291 PolarHBondContact O-N 3.47Å; M291-K293 VanDerWaalsContact C-N 3.34Å
292	N	97.1	Very high	97.5	Very high	113 Å²	113	47.1 Å²	47.1	60%	0.604	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.4	177.8	-71.1	-23.1	0	0	0	113.8	H288 C289 L290	H288-N292 PolarHBondContact CD2-ND2 2.97Å; H288-N292 PolarHBondContact NE2-ND2 3.35Å; H288-N292 VanDerWaalsContact NE2-ND2 3.13Å; H288-N292 PolarHBondContact O-N 3.39Å; H288-N292 PolarHBondContact O-ND2 3.36Å; C289-N292 PolarHBondContact O-N 2.9Å; L290-N292 VanDerWaalsContact C-N 3.25Å; L290-N292 PolarHBondContact O-N 3.37Å
293	K	97.9	Very high	97.5	Very high	47 Å²	47	46.3 Å²	46.3	20%	0.204	26%	0.255	C	S	.	.	S	Bend	trans	-76.1	151.9	173.5	-62.2	-62.8	-175.8	169.2	0	111.1	R70 L276 C289 L290 M291 E297 L298	R70-K293 PolarHBondContact NH1-O 3.08Å; L276-K293 WeakPolarHBondContact O-CE 3.17Å; L276-K293 PolarHBondContact O-NZ 3.14Å; C289-K293 PolarHBondContact O-N 2.99Å; L290-K293 WeakPolarHBondContact O-CB 3.38Å; L290-K293 PolarHBondContact O-N 2.05Å; M291-K293 VanDerWaalsContact C-N 3.34Å; K293-E297 HydrophobicContact CB-CB 4.4Å; K293-L298 HydrophobicContact CB-CD1 4.27Å; K293-L298 HydrophobicContact CB-CD2 3.84Å; K293-L298 HydrophobicContact CB-CG 3.72Å; K293-L298 HydrophobicContact CG-CD2 4.2Å
294	S	97.5	Very high	97.5	Very high	52 Å²	52	47.6 Å²	47.6	36%	0.364	26%	0.259	S	S	.	.			trans	-69.7	159.2	168.8	65.7	0	0	0	0	111.4	S296 E297 L298	S294-S296 VanDerWaalsContact C-N 3.25Å; S294-S296 PolarHBondContact O-N 3.3Å; S294-E297 WeakPolarHBondContact CB-OE2 3.42Å; S294-E297 PolarHBondContact N-OE2 3.41Å; S294-E297 PolarHBondContact O-N 2.73Å; S294-E297 WeakPolarHBondContact OG-CB 3.44Å; S294-E297 VanDerWaalsContact OG-CG 3.24Å; S294-E297 WeakPolarHBondContact OG-CG 3.32Å; S294-E297 PolarHBondContact OG-N 2.78Å; S294-E297 PolarHBondContact OG-OE2 2.76Å; S294-L298 WeakPolarHBondContact O-CG 3.44Å; S294-L298 PolarHBondContact O-N 2.6Å; S294-L298 VanDerWaalsContact O-N 3.15Å
295	A	97.4	Very high	97.5	Very high	11 Å²	11	44.6 Å²	44.6	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-38.6	174.9	0	0	0	0	0	112	Y94 E118 F178 L298 N299	Y94-A295 HydrophobicContact CD1-CB 3.94Å; Y94-A295 HydrophobicContact CD2-CB 3.75Å; Y94-A295 HydrophobicContact CE1-CB 3.92Å; Y94-A295 WeakPolarHBondContact CE1-O 3.2Å; Y94-A295 HydrophobicContact CE2-CB 3.73Å; Y94-A295 HydrophobicContact CG-CB 3.85Å; E118-A295 HydrophobicContact CG-CB 4Å; F178-A295 HydrophobicContact CE1-CB 4.33Å; F178-A295 HydrophobicContact CZ-CB 3.85Å; A295-L298 PolarHBondContact O-N 2.62Å; A295-N299 WeakPolarHBondContact O-CB 3.23Å; A295-N299 PolarHBondContact O-N 2.99Å
296	S	96.9	Very high	97.4	Very high	46 Å²	46	48.3 Å²	48.3	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-53.4	176	-163.6	0	0	0	0	111.1	Y94 S294 L298 N299 D300	Y94-S296 VanDerWaalsContact OH-CA 3.24Å; Y94-S296 WeakPolarHBondContact OH-CA 3.46Å; Y94-S296 VanDerWaalsContact OH-CB 3.3Å; Y94-S296 WeakPolarHBondContact OH-CB 3.48Å; Y94-S296 PolarHBondContact OH-N 3.18Å; S294-S296 VanDerWaalsContact C-N 3.25Å; S294-S296 PolarHBondContact O-N 3.3Å; S296-L298 VanDerWaalsContact C-N 3.27Å; S296-L298 PolarHBondContact O-N 2.78Å; S296-N299 PolarHBondContact O-N 3.41Å; S296-N299 VanDerWaalsContact O-N 3.11Å; S296-D300 WeakPolarHBondContact O-CB 3.36Å; S296-D300 PolarHBondContact O-N 3.24Å; S296-D300 VanDerWaalsContact O-OD2 3.07Å; S296-D300 PolarHBondContact OG-OD2 3.31Å
297	E	97.7	Very high	97.3	Very high	86 Å²	86	50.5 Å²	50.5	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-57.1	-41.7	-179.3	-74.7	167.7	103.9	0	0	112.4	K293 S294 A301	K293-E297 HydrophobicContact CB-CB 4.4Å; S294-E297 WeakPolarHBondContact CB-OE2 3.42Å; S294-E297 PolarHBondContact N-OE2 3.41Å; S294-E297 PolarHBondContact O-N 2.73Å; S294-E297 WeakPolarHBondContact OG-CB 3.44Å; S294-E297 VanDerWaalsContact OG-CG 3.24Å; S294-E297 WeakPolarHBondContact OG-CG 3.32Å; S294-E297 PolarHBondContact OG-N 2.78Å; S294-E297 PolarHBondContact OG-OE2 2.76Å; E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.25Å; E297-A301 PolarHBondContact O-N 3.24Å
298	L	98.2	Very high	97.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-46.6	177.3	-69.8	170.8	0	0	0	111.5	R70 F71 V177 F178 F272 L276 L290 K293 S294 A295 S296 A301 I302	R70-L298 VanDerWaalsContact NH1-CD1 3.35Å; F71-L298 HydrophobicContact CZ-CD1 3.93Å; V177-L298 HydrophobicContact CG1-CB 4Å; F178-L298 HydrophobicContact CE1-CB 4.48Å; F178-L298 HydrophobicContact CE1-CD1 3.92Å; F178-L298 HydrophobicContact CZ-CB 4.2Å; F178-L298 HydrophobicContact CZ-CD1 4.41Å; F272-L298 HydrophobicContact CE1-CD2 4.07Å; F272-L298 VanDerWaalsContact CE2-O 3.27Å; F272-L298 WeakPolarHBondContact CE2-O 3.48Å; F272-L298 HydrophobicContact CZ-CB 4.37Å; F272-L298 HydrophobicContact CZ-CD2 3.88Å; F272-L298 WeakPolarHBondContact CZ-O 3.31Å; L276-L298 HydrophobicContact CD1-CD2 3.76Å; L290-L298 HydrophobicContact CB-CD2 4.4Å; L290-L298 HydrophobicContact CD2-CD2 3.97Å; K293-L298 HydrophobicContact CB-CD1 4.27Å; K293-L298 HydrophobicContact CB-CD2 3.84Å; K293-L298 HydrophobicContact CB-CG 3.72Å; K293-L298 HydrophobicContact CG-CD2 4.2Å; S294-L298 WeakPolarHBondContact O-CG 3.44Å; S294-L298 PolarHBondContact O-N 2.6Å; S294-L298 VanDerWaalsContact O-N 3.15Å; A295-L298 PolarHBondContact O-N 2.62Å; S296-L298 VanDerWaalsContact C-N 3.27Å; S296-L298 PolarHBondContact O-N 2.78Å; L298-A301 PolarHBondContact O-N 2.99Å; L298-I302 WeakPolarHBondContact O-CG2 3.25Å; L298-I302 PolarHBondContact O-N 2.79Å
299	N	97.1	Very high	97	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.027	25%	0.25	C	S	.	.	H	α-helix	trans	-70.3	-40.5	-176.2	-178.9	75.1	0	0	0	112.5	Y94 Q95 S96 F178 A295 S296 A301 I302	Y94-N299 HydrophobicContact CD1-CB 3.86Å; Y94-N299 HydrophobicContact CE1-CB 3.69Å; Q95-N299 WeakPolarHBondContact CA-OD1 3.31Å; S96-N299 PolarHBondContact N-ND2 3.47Å; S96-N299 VanDerWaalsContact N-ND2 3.2Å; S96-N299 PolarHBondContact N-OD1 3.05Å; S96-N299 PolarHBondContact OG-ND2 3.42Å; F178-N299 HydrophobicContact CE2-CB 4.21Å; A295-N299 WeakPolarHBondContact O-CB 3.23Å; A295-N299 PolarHBondContact O-N 2.99Å; S296-N299 PolarHBondContact O-N 3.41Å; S296-N299 VanDerWaalsContact O-N 3.11Å; N299-A301 PolarHBondContact O-N 2.97Å; N299-I302 VanDerWaalsContact O-CG1 3.3Å; N299-I302 WeakPolarHBondContact O-CG1 2.9Å; N299-I302 WeakPolarHBondContact O-CG2 3Å; N299-I302 PolarHBondContact O-N 2.7Å
300	D	96.2	Very high	96.8	Very high	97 Å²	97	45.2 Å²	45.2	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-29.6	178	-63.2	-27.1	0	0	0	111.2	S296	S296-D300 WeakPolarHBondContact O-CB 3.36Å; S296-D300 PolarHBondContact O-N 3.24Å; S296-D300 VanDerWaalsContact O-OD2 3.07Å; S296-D300 PolarHBondContact OG-OD2 3.31Å
301	A	97.7	Very high	96.7	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.7	179.9	0	0	0	0	0	114.6	F272 L276 E297 L298 N299 W303 N304	F272-A301 HydrophobicContact CD2-CB 4.26Å; F272-A301 WeakPolarHBondContact CD2-O 3.33Å; F272-A301 HydrophobicContact CE2-CB 3.7Å; L276-A301 HydrophobicContact CD1-CB 4.15Å; L276-A301 HydrophobicContact CD2-CB 3.74Å; L276-A301 HydrophobicContact CG-CB 3.91Å; E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.25Å; E297-A301 PolarHBondContact O-N 3.24Å; L298-A301 PolarHBondContact O-N 2.99Å; N299-A301 PolarHBondContact O-N 2.97Å; A301-W303 PolarHBondContact O-N 2.71Å; A301-W303 VanDerWaalsContact O-N 3.12Å; A301-N304 VanDerWaalsContact O-CB 3.31Å; A301-N304 WeakPolarHBondContact O-CB 3.08Å; A301-N304 PolarHBondContact O-N 3.21Å
302	I	97.4	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.7	-173.7	69.1	-177.7	0	0	0	112.5	W146 V177 F272 L298 N299 N304 P313 F314	W146-I302 HydrophobicContact CB-CD1 4.45Å; V177-I302 HydrophobicContact CB-CG2 4Å; V177-I302 HydrophobicContact CG1-CG2 3.99Å; F272-I302 HydrophobicContact CE2-CG2 4.24Å; L298-I302 WeakPolarHBondContact O-CG2 3.25Å; L298-I302 PolarHBondContact O-N 2.79Å; N299-I302 VanDerWaalsContact O-CG1 3.3Å; N299-I302 WeakPolarHBondContact O-CG1 2.9Å; N299-I302 WeakPolarHBondContact O-CG2 3Å; N299-I302 PolarHBondContact O-N 2.7Å; I302-N304 VanDerWaalsContact C-N 3.28Å; I302-N304 PolarHBondContact O-N 3.04Å; I302-P313 HydrophobicContact CB-CB 4.26Å; I302-P313 HydrophobicContact CB-CG 4.37Å; I302-P313 HydrophobicContact CG1-CG 4.22Å; I302-P313 VanDerWaalsContact O-CB 3.25Å; I302-P313 WeakPolarHBondContact O-CB 3.49Å; I302-F314 HydrophobicContact CB-CD2 4.19Å; I302-F314 HydrophobicContact CB-CE2 3.95Å; I302-F314 HydrophobicContact CG2-CD2 4.22Å; I302-F314 HydrophobicContact CG2-CE2 3.98Å
303	W	96.1	Very high	96.7	Very high	96 Å²	96	38.8 Å²	38.8	36%	0.364	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.7	-179.7	-58.1	105.2	0	0	0	113.6	W146 A301 V305 L307 P313	W146-W303 HydrophobicContact CD2-CH2 4.05Å; W146-W303 AromaticContact CD2-CZ2 3.59Å; W146-W303 HydrophobicContact CD2-CZ2 3.59Å; W146-W303 AromaticContact CE2-CH2 3.94Å; W146-W303 AromaticContact CE2-CZ2 3.77Å; W146-W303 AromaticContact CE3-CZ2 3.75Å; W146-W303 HydrophobicContact CE3-CZ2 3.75Å; W146-W303 HydrophobicContact CG-CH2 4.21Å; W146-W303 HydrophobicContact CG-CZ2 4.08Å; W146-W303 HydrophobicContact CH2-CZ2 4.3Å; W146-W303 HydrophobicContact CZ2-CH2 4.46Å; W146-W303 HydrophobicContact CZ2-CZ2 4.14Å; W146-W303 HydrophobicContact CZ3-CZ2 4.12Å; A301-W303 PolarHBondContact O-N 2.71Å; A301-W303 VanDerWaalsContact O-N 3.12Å; W303-V305 PolarHBondContact O-N 2.83Å; W303-L307 HydrophobicContact CE3-CD1 3.57Å; W303-L307 HydrophobicContact CZ3-CD1 3.81Å; W303-P313 HydrophobicContact CD2-CG 3.95Å; W303-P313 HydrophobicContact CE3-CG 3.54Å; W303-P313 HydrophobicContact CH2-CG 4.19Å; W303-P313 VanDerWaalsContact CZ3-CD 3.5Å; W303-P313 HydrophobicContact CZ3-CG 3.68Å
304	N	97.4	Very high	96.8	Very high	94 Å²	94	36.8 Å²	36.8	50%	0.503	20%	0.198	S	C	.	.			trans	-80.3	44.6	176.2	-62.9	-24.7	0	0	0	112	A301 I302	A301-N304 VanDerWaalsContact O-CB 3.31Å; A301-N304 WeakPolarHBondContact O-CB 3.08Å; A301-N304 PolarHBondContact O-N 3.21Å; I302-N304 VanDerWaalsContact C-N 3.28Å; I302-N304 PolarHBondContact O-N 3.04Å
305	V	97.5	Very high	96.8	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.073	18%	0.182	C	C	.	.	S	Bend	trans	-133.5	151.1	176.4	-58.5	0	0	0	0	108.7	K268 Q271 F272 W303 L307 P313	K268-V305 WeakPolarHBondContact O-CG1 3.38Å; Q271-V305 HydrophobicContact CB-CB 4.44Å; Q271-V305 HydrophobicContact CB-CG1 4.09Å; F272-V305 HydrophobicContact CB-CG1 3.9Å; W303-V305 PolarHBondContact O-N 2.83Å; V305-L307 HydrophobicContact CG2-CD1 4.25Å; V305-L307 HydrophobicContact CG2-CD2 3.86Å; V305-L307 HydrophobicContact CG2-CG 3.87Å; V305-L307 PolarHBondContact O-N 3.33Å; V305-P313 HydrophobicContact CG2-CB 4.1Å
306	N	95.6	Very high	96.9	Very high	126 Å²	126	34 Å²	34	67%	0.674	18%	0.178	S	C	*	.			trans	-66.9	119.8	175.4	-67.3	-22.5	0	0	0	109.7	Q271	Q271-N306 VanDerWaalsContact OE1-CG 3.24Å; Q271-N306 PolarHBondContact OE1-ND2 2.88Å
307	L	95.6	Very high	97	Very high	56 Å²	56	31.9 Å²	31.9	29%	0.293	16%	0.163	S	C	.	.			trans	-125.3	146.9	178.2	-63.6	172.4	0	0	0	110.2	W303 V305 E311 P313	W303-L307 HydrophobicContact CE3-CD1 3.57Å; W303-L307 HydrophobicContact CZ3-CD1 3.81Å; V305-L307 HydrophobicContact CG2-CD1 4.25Å; V305-L307 HydrophobicContact CG2-CD2 3.86Å; V305-L307 HydrophobicContact CG2-CG 3.87Å; V305-L307 PolarHBondContact O-N 3.33Å; L307-E311 HydrophobicContact CB-CB 4.42Å; L307-E311 HydrophobicContact CD2-CB 4.24Å; L307-E311 HydrophobicContact CD2-CG 3.9Å; L307-P313 HydrophobicContact CD1-CG 4Å
308	S	93.4	Very high	97	Very high	38 Å²	38	27.8 Å²	27.8	27%	0.266	14%	0.144	S	C	.	.			trans	-100.4	-179.1	171.9	-44.8	0	0	0	0	110.5	L310 E311 L388	S308-L310 PolarHBondContact O-N 2.75Å; S308-E311 VanDerWaalsContact CB-OE2 3.22Å; S308-E311 WeakPolarHBondContact CB-OE2 3.46Å; S308-E311 PolarHBondContact N-OE2 3.2Å; S308-E311 VanDerWaalsContact O-CB 3.3Å; S308-E311 WeakPolarHBondContact O-CB 3.41Å; S308-E311 PolarHBondContact O-N 3.24Å; S308-E311 PolarHBondContact OG-OE2 3.48Å; S308-L388 VanDerWaalsContact OG-CD1 3.32Å; S308-L388 WeakPolarHBondContact OG-CD1 3.47Å; S308-L388 VanDerWaalsContact OG-CD2 3.26Å; S308-L388 WeakPolarHBondContact OG-CD2 3.26Å; S308-L388 VanDerWaalsContact OG-CG 3.28Å; S308-L388 WeakPolarHBondContact OG-CG 3.19Å
309	F	95.8	Very high	97	Very high	21 Å²	21	32.5 Å²	32.5	9%	0.092	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	127.5	176.3	-172.1	-85.7	0	0	0	111.9	E311 Y360 L361 S385 I421 F425	F309-E311 PolarHBondContact O-N 3.13Å; F309-Y360 HydrophobicContact CD2-CD1 4.34Å; F309-Y360 HydrophobicContact CD2-CG 4.29Å; F309-Y360 HydrophobicContact CE2-CG 4.11Å; F309-Y360 HydrophobicContact CZ-CG 4.37Å; F309-L361 HydrophobicContact CD2-CD2 4.38Å; F309-L361 HydrophobicContact CE2-CD1 4.32Å; F309-L361 HydrophobicContact CE2-CD2 3.76Å; F309-L361 HydrophobicContact CE2-CG 3.77Å; F309-L361 HydrophobicContact CZ-CG 4.39Å; F309-S385 WeakPolarHBondContact CB-O 3Å; F309-S385 VanDerWaalsContact CG-CA 3.46Å; F309-I421 HydrophobicContact CE1-CD1 4.21Å; F309-I421 HydrophobicContact CE1-CG1 4.08Å; F309-I421 HydrophobicContact CE1-CG2 4.18Å; F309-I421 HydrophobicContact CZ-CD1 3.67Å; F309-I421 HydrophobicContact CZ-CG1 4.05Å; F309-F425 HydrophobicContact CD1-CE1 4.47Å; F309-F425 AromaticContact CD1-CE2 3.57Å; F309-F425 HydrophobicContact CD1-CE2 3.57Å; F309-F425 AromaticContact CD1-CZ 3.54Å; F309-F425 HydrophobicContact CD1-CZ 3.54Å; F309-F425 HydrophobicContact CE1-CD2 4.31Å; F309-F425 AromaticContact CE1-CE2 3.66Å; F309-F425 HydrophobicContact CE1-CE2 3.66Å; F309-F425 HydrophobicContact CE1-CZ 4.11Å
310	L	95.7	Very high	97	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	38.5	179.4	-144.9	163.9	0	0	0	112.5	W257 S308 F312 W356 Y360 I421 F425 F426	W257-L310 HydrophobicContact CB-CD2 3.97Å; W257-L310 WeakPolarHBondContact CB-O 3.46Å; W257-L310 HydrophobicContact CG-CD2 3.88Å; S308-L310 PolarHBondContact O-N 2.75Å; L310-F312 HydrophobicContact CD2-CE2 4.16Å; L310-F312 HydrophobicContact CD2-CZ 4.01Å; L310-W356 HydrophobicContact CD1-CB 3.79Å; L310-W356 HydrophobicContact CD1-CD2 3.78Å; L310-W356 HydrophobicContact CD1-CE3 4.25Å; L310-W356 HydrophobicContact CD1-CG 3.56Å; L310-W356 HydrophobicContact CG-CD2 4.23Å; L310-W356 HydrophobicContact CG-CE3 4.21Å; L310-W356 HydrophobicContact CG-CG 4.44Å; L310-Y360 HydrophobicContact CB-CE2 4.47Å; L310-Y360 HydrophobicContact CG-CE2 4.26Å; L310-I421 HydrophobicContact CD1-CG2 4.23Å; L310-F425 HydrophobicContact CB-CD1 4.08Å; L310-F425 HydrophobicContact CB-CE1 3.91Å; L310-F425 HydrophobicContact CB-CG 4.47Å; L310-F425 HydrophobicContact CB-CZ 4.17Å; L310-F425 HydrophobicContact CD1-CB 4.05Å; L310-F425 HydrophobicContact CD1-CD1 4.21Å; L310-F425 HydrophobicContact CD1-CD2 4.08Å; L310-F425 HydrophobicContact CD1-CG 3.86Å; L310-F425 HydrophobicContact CD2-CD1 4.31Å; L310-F425 HydrophobicContact CG-CD1 4.44Å; L310-F426 HydrophobicContact CD1-CE2 3.95Å; L310-F426 HydrophobicContact CD1-CZ 4.18Å; L310-F426 HydrophobicContact CD2-CZ 4.25Å
311	E	95.9	Very high	96.9	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.07	16%	0.162	C	C	.	.			trans	-107.3	135.7	172.7	-168.6	176.9	-178.7	0	0	109.6	K264 K268 L307 S308 F309	K264-E311 WeakPolarHBondContact CE-OE1 3.38Å; K264-E311 IonicContact NZ-OE1 2.71Å; K264-E311 PolarHBondContact NZ-OE1 2.86Å; K268-E311 WeakPolarHBondContact CE-OE1 3.3Å; K268-E311 IonicContact NZ-OE1 3.41Å; K268-E311 PolarHBondContact NZ-OE1 2.92Å; L307-E311 HydrophobicContact CB-CB 4.42Å; L307-E311 HydrophobicContact CD2-CB 4.24Å; L307-E311 HydrophobicContact CD2-CG 3.9Å; S308-E311 VanDerWaalsContact CB-OE2 3.22Å; S308-E311 WeakPolarHBondContact CB-OE2 3.46Å; S308-E311 PolarHBondContact N-OE2 3.2Å; S308-E311 VanDerWaalsContact O-CB 3.3Å; S308-E311 WeakPolarHBondContact O-CB 3.41Å; S308-E311 PolarHBondContact O-N 3.24Å; S308-E311 PolarHBondContact OG-OE2 3.48Å; F309-E311 PolarHBondContact O-N 3.13Å
312	F	97.2	Very high	96.8	Very high	4 Å²	4	36 Å²	36	2%	0.018	18%	0.178	C	C	.	.			trans	-102.3	152	178.5	-55.4	-60.7	0	0	0	111.5	G144 W146 W257 K268 L310 V315 W356	G144-F312 VanDerWaalsContact CA-CE2 3.47Å; G144-F312 WeakPolarHBondContact O-CB 3.4Å; G144-F312 WeakPolarHBondContact O-CD2 3.15Å; G144-F312 WeakPolarHBondContact O-CG 3.24Å; W146-F312 AromaticContact CD1-CD1 3.58Å; W146-F312 AromaticContact NE1-CD1 3.73Å; W146-F312 AromaticContact NE1-CE1 3.76Å; W257-F312 HydrophobicContact CB-CD2 3.88Å; W257-F312 HydrophobicContact CB-CE2 3.77Å; W257-F312 HydrophobicContact CD2-CE2 4.31Å; W257-F312 HydrophobicContact CE3-CE2 4.29Å; W257-F312 HydrophobicContact CG-CE2 4.11Å; K268-F312 PolarHBondContact NZ-O 2.94Å; L310-F312 HydrophobicContact CD2-CE2 4.16Å; L310-F312 HydrophobicContact CD2-CZ 4.01Å; F312-V315 HydrophobicContact CB-CG1 3.63Å; F312-V315 HydrophobicContact CD2-CG1 4.4Å; F312-W356 HydrophobicContact CE1-CZ3 4.47Å; F312-W356 HydrophobicContact CZ-CH2 4.1Å; F312-W356 HydrophobicContact CZ-CZ3 4.06Å
313	P	97.2	Very high	96.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	20%	0.196	C	C	.	.	S	Bend	trans	-61	-46.8	-175.5	-24.7	31.2	0	0	0	115.4	K268 I302 W303 V305 L307	K268-P313 VanDerWaalsContact CD-O 3.22Å; K268-P313 WeakPolarHBondContact CD-O 3.48Å; I302-P313 HydrophobicContact CB-CB 4.26Å; I302-P313 HydrophobicContact CB-CG 4.37Å; I302-P313 HydrophobicContact CG1-CG 4.22Å; I302-P313 VanDerWaalsContact O-CB 3.25Å; I302-P313 WeakPolarHBondContact O-CB 3.49Å; W303-P313 HydrophobicContact CD2-CG 3.95Å; W303-P313 HydrophobicContact CE3-CG 3.54Å; W303-P313 HydrophobicContact CH2-CG 4.19Å; W303-P313 VanDerWaalsContact CZ3-CD 3.5Å; W303-P313 HydrophobicContact CZ3-CG 3.68Å; V305-P313 HydrophobicContact CG2-CB 4.1Å; L307-P313 HydrophobicContact CD1-CG 4Å
314	F	98.4	Very high	96.7	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.026	18%	0.179	C	C	.	.	S	Bend	trans	-139	113.4	-173.9	-61.5	-73.6	0	0	0	108.5	V177 F180 L181 F272 I302	V177-F314 HydrophobicContact CB-CD2 4.18Å; V177-F314 HydrophobicContact CB-CE2 4.07Å; V177-F314 HydrophobicContact CG2-CE2 4.46Å; F180-F314 HydrophobicContact CB-CB 3.75Å; L181-F314 HydrophobicContact CD1-CD1 4.48Å; L181-F314 HydrophobicContact CD1-CE1 3.8Å; L181-F314 HydrophobicContact CD1-CZ 4.3Å; F272-F314 HydrophobicContact CB-CZ 3.74Å; F272-F314 HydrophobicContact CD1-CZ 4Å; F272-F314 HydrophobicContact CD2-CE2 4.04Å; F272-F314 AromaticContact CD2-CZ 3.88Å; F272-F314 HydrophobicContact CD2-CZ 3.88Å; F272-F314 HydrophobicContact CE2-CE2 4.35Å; F272-F314 HydrophobicContact CE2-CZ 4.48Å; F272-F314 HydrophobicContact CG-CE2 4.23Å; F272-F314 AromaticContact CG-CZ 3.6Å; F272-F314 HydrophobicContact CG-CZ 3.6Å; I302-F314 HydrophobicContact CB-CD2 4.19Å; I302-F314 HydrophobicContact CB-CE2 3.95Å; I302-F314 HydrophobicContact CG2-CD2 4.22Å; I302-F314 HydrophobicContact CG2-CE2 3.98Å
315	V	98.7	Very high	96.8	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.03	16%	0.157	C	C	.	.			trans	-133.2	-174.3	-176.8	-56.1	0	0	0	0	109.3	F145 F180 W257 E260 F312 V317	F145-V315 HydrophobicContact CB-CG1 4.41Å; F145-V315 HydrophobicContact CD2-CB 3.92Å; F145-V315 HydrophobicContact CD2-CG1 3.92Å; F180-V315 WeakPolarHBondContact CD1-O 3.18Å; W257-V315 WeakPolarHBondContact O-CG1 3Å; E260-V315 HydrophobicContact CB-CG2 4.37Å; E260-V315 HydrophobicContact CG-CG2 3.6Å; F312-V315 HydrophobicContact CB-CG1 3.63Å; F312-V315 HydrophobicContact CD2-CG1 4.4Å; V315-V317 PolarHBondContact O-N 2.96Å
316	I	98.8	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129.7	179.9	-59.6	171.4	0	0	0	109.7	F145 F180 N191 L194 A232 L253 A258 M259 E260 F325	F145-I316 HydrophobicContact CE1-CD1 3.95Å; F145-I316 HydrophobicContact CE1-CG1 4.05Å; F145-I316 HydrophobicContact CE2-CD1 4.23Å; F145-I316 HydrophobicContact CE2-CG1 4.28Å; F145-I316 HydrophobicContact CZ-CD1 3.5Å; F145-I316 VanDerWaalsContact CZ-CD1 3.5Å; F145-I316 HydrophobicContact CZ-CG1 3.83Å; F180-I316 HydrophobicContact CD1-CG1 4.49Å; F180-I316 HydrophobicContact CE1-CG1 3.87Å; N191-I316 WeakPolarHBondContact OD1-CA 3.46Å; L194-I316 HydrophobicContact CD1-CB 4.31Å; L194-I316 HydrophobicContact CD1-CD1 3.9Å; L194-I316 HydrophobicContact CD1-CG1 3.74Å; L194-I316 HydrophobicContact CD1-CG2 3.71Å; L194-I316 HydrophobicContact CD2-CD1 4.07Å; L194-I316 HydrophobicContact CD2-CG1 4.41Å; L194-I316 HydrophobicContact CG-CD1 4.34Å; L194-I316 HydrophobicContact CG-CG1 4.19Å; A232-I316 HydrophobicContact CB-CD1 4.27Å; L253-I316 HydrophobicContact CD1-CB 4.48Å; L253-I316 HydrophobicContact CD1-CD1 3.53Å; L253-I316 HydrophobicContact CD1-CG2 4.34Å; A258-I316 WeakPolarHBondContact O-CB 3.46Å; A258-I316 PolarHBondContact O-N 3.12Å; M259-I316 CarbonylContact C-O 3.16Å; M259-I316 VanDerWaalsContact CA-O 3.24Å; M259-I316 WeakPolarHBondContact CA-O 3.3Å; M259-I316 HydrophobicContact CB-CB 4.41Å; M259-I316 HydrophobicContact CG-CG2 4.23Å; E260-I316 PolarHBondContact N-O 2.88Å; I316-F325 HydrophobicContact CG2-CE2 3.68Å; I316-F325 HydrophobicContact CG2-CZ 4.03Å
317	V	98.7	Very high	96.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.7	167.3	61.6	0	0	0	0	108.8	F182 N191 E260 P262 A265 V315 R319 D320	F182-V317 HydrophobicContact CB-CG1 4.46Å; F182-V317 HydrophobicContact CD1-CG2 4.29Å; F182-V317 HydrophobicContact CD2-CB 4.47Å; F182-V317 HydrophobicContact CD2-CG1 3.87Å; F182-V317 HydrophobicContact CD2-CG2 4.21Å; F182-V317 HydrophobicContact CE1-CG2 4.46Å; F182-V317 HydrophobicContact CE2-CG1 4.42Å; F182-V317 HydrophobicContact CE2-CG2 4.38Å; F182-V317 HydrophobicContact CG-CB 4.45Å; F182-V317 HydrophobicContact CG-CG1 4.27Å; F182-V317 HydrophobicContact CG-CG2 4.16Å; F182-V317 HydrophobicContact CZ-CG2 4.5Å; N191-V317 PolarHBondContact ND2-O 3.04Å; N191-V317 PolarHBondContact OD1-N 3.12Å; E260-V317 CarbonylContact O-C 3.53Å; E260-V317 WeakPolarHBondContact O-CA 3.34Å; P262-V317 HydrophobicContact CB-CG2 4.26Å; P262-V317 HydrophobicContact CG-CG2 4.06Å; A265-V317 HydrophobicContact CB-CB 4.23Å; A265-V317 HydrophobicContact CB-CG2 3.95Å; V315-V317 PolarHBondContact O-N 2.96Å; V317-R319 PolarHBondContact O-N 3.35Å; V317-R319 VanDerWaalsContact O-N 3.1Å; V317-D320 HydrophobicContact CG1-CB 4.18Å
318	S	98.2	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-63.4	-21.1	-175.2	67.9	0	0	0	0	113.3	E260 P262 D328 A329	E260-S318 PolarHBondContact O-N 2.78Å; P262-S318 WeakPolarHBondContact CD-OG 3.39Å; S318-D328 WeakPolarHBondContact CB-OD2 3.41Å; S318-D328 CarbonylContact O-C 3.56Å; S318-D328 WeakPolarHBondContact O-CA 3.31Å; S318-D328 PolarHBondContact OG-OD2 2.73Å; S318-A329 WeakPolarHBondContact O-CB 3.37Å; S318-A329 PolarHBondContact O-N 2.78Å
319	R	97.4	Very high	96.9	Very high	99 Å²	99	27.8 Å²	27.8	37%	0.374	14%	0.142	S	C	.	.	S	Bend	trans	-141.7	112.4	175.8	-174.6	-178	70.7	-156.3	3.6	110.3	P262 V317	P262-R319 HydrophobicContact CG-CB 3.85Å; V317-R319 PolarHBondContact O-N 3.35Å; V317-R319 VanDerWaalsContact O-N 3.1Å
320	D	97.3	Very high	97	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	14%	0.142	C	C	.	.			trans	-99.7	168.8	173.9	61.9	91.2	0	0	0	112.5	P189 N191 M195 V317 G322 G323 F324 F325	P189-D320 VanDerWaalsContact O-CA 3.24Å; P189-D320 WeakPolarHBondContact O-CA 3.33Å; P189-D320 WeakPolarHBondContact O-CB 3.37Å; N191-D320 HydrophobicContact CB-CB 4.1Å; N191-D320 PolarHBondContact ND2-OD2 3.24Å; M195-D320 HydrophobicContact CE-CB 4.39Å; M195-D320 WeakPolarHBondContact CE-OD1 3.38Å; V317-D320 HydrophobicContact CG1-CB 4.18Å; D320-G322 WeakPolarHBondContact OD1-CA 3.38Å; D320-G322 PolarHBondContact OD1-N 3.42Å; D320-G323 PolarHBondContact OD1-N 2.92Å; D320-F324 PolarHBondContact OD1-N 3.3Å; D320-F325 WeakPolarHBondContact OD2-CD2 3.34Å; D320-F325 PolarHBondContact OD2-N 2.86Å; D320-F325 VanDerWaalsContact OD2-N 3.15Å
321	R	94.7	Very high	97.1	Very high	133 Å²	133	28 Å²	28	50%	0.502	14%	0.144	S	C	.	.	S	Bend	trans	-100.7	5.5	171.4	-68.2	-159.4	178.2	-166.6	7.8	114.1	D184 P189	D184-R321 WeakPolarHBondContact O-CD 3.01Å; D184-R321 PolarHBondContact O-NE 2.77Å; D184-R321 PolarHBondContact O-NH1 3.48Å; D184-R321 PolarHBondContact O-NH2 3.46Å; D184-R321 IonicContact OD1-CZ 2.74Å; D184-R321 IonicContact OD1-NE 3.89Å; D184-R321 PolarHBondContact OD1-NE 2.94Å; D184-R321 IonicContact OD1-NH2 2.62Å; D184-R321 PolarHBondContact OD1-NH2 2.64Å; D184-R321 IonicContact OD2-CZ 2.91Å; D184-R321 IonicContact OD2-NE 3.31Å; D184-R321 IonicContact OD2-NH2 2.73Å; D184-R321 PolarHBondContact OD2-NH2 2.69Å; P189-R321 VanDerWaalsContact CB-C 3.47Å; P189-R321 HydrophobicContact CB-CB 3.89Å; P189-R321 PolarHBondContact O-N 2.84Å; P189-R321 VanDerWaalsContact O-N 3.1Å
322	G	94.9	Very high	97.2	Very high	34 Å²	34	27.4 Å²	27.4	35%	0.351	14%	0.142	S	C	.	.	S	Bend	trans	-94.7	-8.5	-178.3	0	0	0	0	0	112.5	D320	D320-G322 WeakPolarHBondContact OD1-CA 3.38Å; D320-G322 PolarHBondContact OD1-N 3.42Å
323	G	94.6	Very high	97.2	Very high	37 Å²	37	27.3 Å²	27.3	38%	0.381	14%	0.141	S	C	.	.	S	Bend	trans	86.2	14.7	176.1	0	0	0	0	0	113.6	D320	D320-G323 PolarHBondContact OD1-N 2.92Å
324	F	98.5	Very high	97.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	14%	0.144	C	C	.	.	S	Bend	trans	-64.5	-48.9	174	-178	-89.2	0	0	0	110	L194 M195 Q198 A232 H233 A236 D320	L194-F324 HydrophobicContact CB-CD1 4.14Å; L194-F324 HydrophobicContact CB-CD2 3.84Å; L194-F324 HydrophobicContact CB-CE1 3.98Å; L194-F324 HydrophobicContact CB-CE2 3.65Å; L194-F324 HydrophobicContact CB-CG 4.08Å; L194-F324 HydrophobicContact CB-CZ 3.73Å; L194-F324 HydrophobicContact CD1-CD1 3.88Å; L194-F324 HydrophobicContact CD1-CE1 3.61Å; L194-F324 HydrophobicContact CD1-CZ 4.09Å; L194-F324 HydrophobicContact CD2-CZ 4.32Å; L194-F324 HydrophobicContact CG-CE1 4.29Å; L194-F324 HydrophobicContact CG-CZ 4.28Å; L194-F324 WeakPolarHBondContact O-CE2 3.09Å; M195-F324 HydrophobicContact CE-CB 3.82Å; M195-F324 HydrophobicContact CG-CB 3.98Å; M195-F324 HydrophobicContact CG-CD2 4.18Å; M195-F324 HydrophobicContact CG-CG 4.49Å; Q198-F324 HydrophobicContact CB-CD2 4.45Å; Q198-F324 HydrophobicContact CB-CE2 4.08Å; A232-F324 HydrophobicContact CB-CE1 4.09Å; A232-F324 HydrophobicContact CB-CZ 4.42Å; H233-F324 AromaticContact CE1-CE2 3.74Å; H233-F324 AromaticContact CE1-CZ 3.87Å; H233-F324 AromaticContact ND1-CE2 3.81Å; H233-F324 AromaticContact ND1-CZ 3.68Å; A236-F324 HydrophobicContact CB-CD1 4.02Å; A236-F324 HydrophobicContact CB-CE1 3.59Å; A236-F324 HydrophobicContact CB-CE2 4.15Å; A236-F324 HydrophobicContact CB-CG 4.45Å; A236-F324 HydrophobicContact CB-CZ 3.68Å; A236-F324 WeakPolarHBondContact CB-O 3.34Å; D320-F324 PolarHBondContact OD1-N 3.3Å
325	F	98.4	Very high	96.9	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.035	16%	0.161	C	C	.	.			trans	-99.3	122.3	168.8	-60.8	-58.4	0	0	0	111.7	N191 L194 A232 I235 A236 I316 D320 Q327 A329	N191-F325 WeakPolarHBondContact ND2-CD2 3.36Å; N191-F325 WeakPolarHBondContact ND2-CE2 3.25Å; L194-F325 HydrophobicContact CD1-CE2 4.17Å; L194-F325 HydrophobicContact CD1-CZ 4.08Å; A232-F325 HydrophobicContact CB-CE1 4.12Å; A232-F325 HydrophobicContact CB-CZ 3.83Å; I235-F325 HydrophobicContact CB-CD1 4.28Å; I235-F325 HydrophobicContact CB-CE1 4.01Å; I235-F325 HydrophobicContact CG2-CD1 3.75Å; I235-F325 HydrophobicContact CG2-CE1 3.94Å; A236-F325 HydrophobicContact CB-CD1 4.47Å; I316-F325 HydrophobicContact CG2-CE2 3.68Å; I316-F325 HydrophobicContact CG2-CZ 4.03Å; D320-F325 WeakPolarHBondContact OD2-CD2 3.34Å; D320-F325 PolarHBondContact OD2-N 2.86Å; D320-F325 VanDerWaalsContact OD2-N 3.15Å; F325-Q327 VanDerWaalsContact C-N 3.29Å; F325-Q327 VanDerWaalsContact CB-O 3.32Å; F325-Q327 WeakPolarHBondContact CB-O 3.36Å; F325-A329 HydrophobicContact CD1-CB 3.78Å; F325-A329 HydrophobicContact CD2-CB 3.81Å; F325-A329 HydrophobicContact CE1-CB 3.65Å; F325-A329 HydrophobicContact CE2-CB 3.68Å; F325-A329 HydrophobicContact CG-CB 3.85Å; F325-A329 HydrophobicContact CZ-CB 3.59Å
326	N	95.3	Very high	96.8	Very high	89 Å²	89	31.9 Å²	31.9	48%	0.476	17%	0.165	S	C	.	.	S	Bend	trans	-75.4	-19.4	174.6	-53.4	93.8	0	0	0	113.2	N237	N237-N326 VanDerWaalsContact CB-OD1 3.3Å; N237-N326 WeakPolarHBondContact CB-OD1 3.38Å; N237-N326 PolarHBondContact ND2-OD1 3.39Å
327	Q	94.4	Very high	96.6	Very high	113 Å²	113	34.9 Å²	34.9	53%	0.528	18%	0.181	S	C	.	.	S	Bend	trans	-140.4	165.7	178.6	-63.1	-177.1	22.1	0	0	108.3	F325 A329	F325-Q327 VanDerWaalsContact C-N 3.29Å; F325-Q327 VanDerWaalsContact CB-O 3.32Å; F325-Q327 WeakPolarHBondContact CB-O 3.36Å; Q327-A329 PolarHBondContact O-N 3.44Å; Q327-A329 VanDerWaalsContact O-N 3.15Å
328	D	97.4	Very high	96.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.183	C	C	.	.			trans	-59.2	122.8	175.9	-173.5	-84.7	0	0	0	110.9	S318 F330 V331 S332 Y561 Y565	S318-D328 WeakPolarHBondContact CB-OD2 3.41Å; S318-D328 CarbonylContact O-C 3.56Å; S318-D328 WeakPolarHBondContact O-CA 3.31Å; S318-D328 PolarHBondContact OG-OD2 2.73Å; D328-F330 WeakPolarHBondContact OD1-CA 3.35Å; D328-F330 VanDerWaalsContact OD1-CB 3.31Å; D328-F330 WeakPolarHBondContact OD1-CB 3.34Å; D328-F330 PolarHBondContact OD1-N 3.2Å; D328-V331 HydrophobicContact CB-CB 4.2Å; D328-V331 HydrophobicContact CB-CG2 4.09Å; D328-V331 PolarHBondContact O-N 2.83Å; D328-V331 PolarHBondContact OD1-N 3.15Å; D328-S332 VanDerWaalsContact O-CB 3.3Å; D328-S332 WeakPolarHBondContact O-CB 3.35Å; D328-S332 PolarHBondContact O-N 2.82Å; D328-S332 PolarHBondContact O-OG 3.28Å; D328-Y561 PolarHBondContact OD2-OH 3.15Å; D328-Y565 HydrophobicContact CB-CE2 4.19Å
329	A	98.3	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.2	-30.7	-175	0	0	0	0	0	112.7	I235 L253 M259 S318 F325 Q327 S332 L333	I235-A329 HydrophobicContact CD1-CB 4.14Å; I235-A329 HydrophobicContact CG2-CB 4.29Å; L253-A329 HydrophobicContact CD2-CB 4.45Å; M259-A329 HydrophobicContact SD-CB 3.76Å; S318-A329 WeakPolarHBondContact O-CB 3.37Å; S318-A329 PolarHBondContact O-N 2.78Å; F325-A329 HydrophobicContact CD1-CB 3.78Å; F325-A329 HydrophobicContact CD2-CB 3.81Å; F325-A329 HydrophobicContact CE1-CB 3.65Å; F325-A329 HydrophobicContact CE2-CB 3.68Å; F325-A329 HydrophobicContact CG-CB 3.85Å; F325-A329 HydrophobicContact CZ-CB 3.59Å; Q327-A329 PolarHBondContact O-N 3.44Å; Q327-A329 VanDerWaalsContact O-N 3.15Å; A329-S332 PolarHBondContact O-N 3.09Å; A329-L333 WeakPolarHBondContact O-CB 3.3Å; A329-L333 PolarHBondContact O-N 2.8Å
330	F	97.8	Very high	96.3	Very high	17 Å²	17	35.4 Å²	35.4	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-69.1	-42.3	176.9	-170.4	-160.8	0	0	0	110.5	D254 M259 T261 D328 H334 Y558 Y561	D254-F330 WeakPolarHBondContact OD1-CE2 3.39Å; M259-F330 HydrophobicContact CE-CB 3.63Å; M259-F330 HydrophobicContact CE-CD2 3.94Å; M259-F330 HydrophobicContact CE-CG 4.04Å; M259-F330 HydrophobicContact SD-CB 4.36Å; T261-F330 HydrophobicContact CG2-CD1 4.49Å; D328-F330 WeakPolarHBondContact OD1-CA 3.35Å; D328-F330 VanDerWaalsContact OD1-CB 3.31Å; D328-F330 WeakPolarHBondContact OD1-CB 3.34Å; D328-F330 PolarHBondContact OD1-N 3.2Å; F330-H334 AromaticContact CD2-CD2 3.66Å; F330-H334 AromaticContact CD2-NE2 3.87Å; F330-H334 AromaticContact CE2-CD2 3.62Å; F330-H334 AromaticContact CE2-NE2 3.38Å; F330-H334 WeakPolarHBondContact CE2-NE2 3.38Å; F330-H334 PolarHBondContact O-CD2 3.01Å; F330-H334 PolarHBondContact O-N 3.32Å; F330-Y558 HydrophobicContact CD2-CD2 4.39Å; F330-Y558 HydrophobicContact CE2-CD2 4.23Å; F330-Y558 HydrophobicContact CZ-CD2 4.37Å; F330-Y561 HydrophobicContact CB-CD1 4.44Å; F330-Y561 HydrophobicContact CB-CE1 4.22Å; F330-Y561 AromaticContact CD1-CD1 3.33Å; F330-Y561 HydrophobicContact CD1-CD1 3.33Å; F330-Y561 AromaticContact CD1-CE1 3.87Å; F330-Y561 HydrophobicContact CD1-CE1 3.87Å; F330-Y561 AromaticContact CD1-CG 3.84Å; F330-Y561 HydrophobicContact CD1-CG 3.84Å; F330-Y561 AromaticContact CE1-CD1 3.91Å; F330-Y561 HydrophobicContact CE1-CD1 3.91Å; F330-Y561 HydrophobicContact CE1-CG 4.04Å; F330-Y561 HydrophobicContact CG-CD1 4.21Å; F330-Y561 HydrophobicContact CG-CE1 4.48Å
331	V	97.6	Very high	96.1	Very high	9 Å²	9	40 Å²	40	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-48.3	170.5	179.6	0	0	0	0	111	D328 L333 H334 E335 Y561 Y565	D328-V331 HydrophobicContact CB-CB 4.2Å; D328-V331 HydrophobicContact CB-CG2 4.09Å; D328-V331 PolarHBondContact O-N 2.83Å; D328-V331 PolarHBondContact OD1-N 3.15Å; V331-L333 VanDerWaalsContact C-N 3.28Å; V331-L333 PolarHBondContact O-N 3.35Å; V331-H334 PolarHBondContact O-N 2.98Å; V331-E335 HydrophobicContact CG1-CG 4.05Å; V331-E335 WeakPolarHBondContact CG1-OE1 3.48Å; V331-E335 WeakPolarHBondContact O-CB 3.21Å; V331-E335 WeakPolarHBondContact O-CG 3.44Å; V331-E335 PolarHBondContact O-N 3.26Å; V331-Y561 HydrophobicContact CG2-CE1 4.06Å; V331-Y565 HydrophobicContact CG2-CD1 3.82Å; V331-Y565 HydrophobicContact CG2-CE1 4.07Å; V331-Y565 HydrophobicContact CG2-CG 4.35Å
332	S	97.3	Very high	96.2	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-38.1	-177.6	-61	0	0	0	0	112.5	D328 A329 G336 N337	D328-S332 VanDerWaalsContact O-CB 3.3Å; D328-S332 WeakPolarHBondContact O-CB 3.35Å; D328-S332 PolarHBondContact O-N 2.82Å; D328-S332 PolarHBondContact O-OG 3.28Å; A329-S332 PolarHBondContact O-N 3.09Å; S332-G336 PolarHBondContact O-N 2.65Å; S332-G336 VanDerWaalsContact O-N 3.1Å; S332-N337 PolarHBondContact O-N 3.49Å
333	L	97	Very high	96.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-44.1	177.3	-175.1	60.8	0	0	0	112.3	V231 I235 L253 D254 M259 A329 V331 Y338 W432 F433	V231-L333 HydrophobicContact CG1-CD1 3.81Å; I235-L333 HydrophobicContact CD1-CB 4.12Å; I235-L333 HydrophobicContact CD1-CD1 4.42Å; L253-L333 HydrophobicContact CB-CD2 4.02Å; L253-L333 HydrophobicContact CG-CD2 4.4Å; D254-L333 HydrophobicContact CB-CD2 3.65Å; M259-L333 HydrophobicContact CE-CD2 4.49Å; A329-L333 WeakPolarHBondContact O-CB 3.3Å; A329-L333 PolarHBondContact O-N 2.8Å; V331-L333 VanDerWaalsContact C-N 3.28Å; V331-L333 PolarHBondContact O-N 3.35Å; L333-Y338 HydrophobicContact CD1-CD1 4.44Å; L333-Y338 HydrophobicContact CD1-CE1 4.34Å; L333-Y338 WeakPolarHBondContact O-CE1 3.32Å; L333-W432 HydrophobicContact CD1-CZ3 4.49Å; L333-W432 HydrophobicContact CD2-CZ3 4.35Å; L333-W432 HydrophobicContact CG-CH2 4.17Å; L333-W432 HydrophobicContact CG-CZ3 4.11Å; L333-F433 HydrophobicContact CD1-CD2 3.7Å; L333-F433 HydrophobicContact CD1-CE2 3.64Å
334	H	96.1	Very high	96.5	Very high	14 Å²	14	32 Å²	32	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-81.9	-18.6	-178.5	-79.4	-101.7	0	0	0	114	D254 F330 V331 W432 Y558	D254-H334 VanDerWaalsContact CG-NE2 3.33Å; D254-H334 IonicContact OD1-CD2 2.62Å; D254-H334 IonicContact OD1-CE1 3.13Å; D254-H334 IonicContact OD1-NE2 3.43Å; D254-H334 PolarHBondContact OD1-NE2 3.18Å; D254-H334 IonicContact OD2-CE1 2.91Å; D254-H334 IonicContact OD2-NE2 2.75Å; D254-H334 PolarHBondContact OD2-NE2 3.05Å; F330-H334 AromaticContact CD2-CD2 3.66Å; F330-H334 AromaticContact CD2-NE2 3.87Å; F330-H334 AromaticContact CE2-CD2 3.62Å; F330-H334 AromaticContact CE2-NE2 3.38Å; F330-H334 WeakPolarHBondContact CE2-NE2 3.38Å; F330-H334 PolarHBondContact O-CD2 3.01Å; F330-H334 PolarHBondContact O-N 3.32Å; V331-H334 PolarHBondContact O-N 2.98Å; H334-W432 AromaticContact CE1-CH2 3.77Å; H334-W432 AromaticContact CE1-CZ2 3.85Å; H334-W432 AromaticContact ND1-CH2 3.94Å; H334-W432 AromaticContact ND1-CZ2 3.81Å; H334-W432 AromaticContact NE2-CH2 3.82Å; H334-Y558 HydrophobicContact CB-CD1 4.06Å; H334-Y558 HydrophobicContact CB-CD2 3.62Å; H334-Y558 HydrophobicContact CB-CE1 3.84Å; H334-Y558 HydrophobicContact CB-CE2 3.39Å; H334-Y558 HydrophobicContact CB-CG 3.94Å; H334-Y558 VanDerWaalsContact CB-CZ 3.5Å; H334-Y558 AromaticContact CD2-CD2 3.79Å; H334-Y558 AromaticContact CE1-CG 3.98Å; H334-Y558 AromaticContact CG-CD1 3.95Å; H334-Y558 AromaticContact CG-CD2 3.5Å; H334-Y558 AromaticContact CG-CE2 3.86Å; H334-Y558 AromaticContact CG-CG 3.55Å; H334-Y558 AromaticContact ND1-CD1 3.71Å; H334-Y558 AromaticContact ND1-CG 3.53Å
335	E	94.9	Very high	96.5	Very high	84 Å²	84	31.9 Å²	31.9	39%	0.393	16%	0.16	S	C	.	.	H	α-helix	trans	-99.3	-2.9	177.9	-65.2	-174.2	177.7	0	0	113.4	V331 Y558 R566	V331-E335 HydrophobicContact CG1-CG 4.05Å; V331-E335 WeakPolarHBondContact CG1-OE1 3.48Å; V331-E335 WeakPolarHBondContact O-CB 3.21Å; V331-E335 WeakPolarHBondContact O-CG 3.44Å; V331-E335 PolarHBondContact O-N 3.26Å; E335-Y558 PolarHBondContact OE1-OH 2.74Å; E335-R566 IonicContact OE1-CZ 2.66Å; E335-R566 IonicContact OE1-NH2 3.6Å; E335-R566 PolarHBondContact OE1-NH2 2.68Å
336	G	94.6	Very high	96.5	Very high	12 Å²	12	31.5 Å²	31.5	12%	0.124	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	25.6	177	0	0	0	0	0	114.5	S332 Y338 K340	S332-G336 PolarHBondContact O-N 2.65Å; S332-G336 VanDerWaalsContact O-N 3.1Å; G336-Y338 VanDerWaalsContact C-N 3.32Å; G336-Y338 VanDerWaalsContact CA-CE1 3.49Å; G336-Y338 PolarHBondContact O-N 3.3Å; G336-K340 WeakPolarHBondContact O-CE 3.5Å; G336-K340 PolarHBondContact O-NZ 2.73Å
337	N	95.5	Very high	96.6	Very high	62 Å²	62	27.3 Å²	27.3	33%	0.332	14%	0.136	S	C	.	.			trans	-91.5	55.7	179.9	-62.1	-32.1	0	0	0	111.8	R240 S332	R240-N337 PolarHBondContact NH2-O 3.46Å; R240-N337 VanDerWaalsContact NH2-O 3.12Å; S332-N337 PolarHBondContact O-N 3.49Å
338	Y	96.3	Very high	96.8	Very high	12 Å²	12	22 Å²	22	5%	0.047	11%	0.112	C	C	.	.	S	Bend	trans	-136	171.7	177.8	46.8	-102.7	0	0	0	111.5	M234 L333 G336 K340 F433 Q436 L437	M234-Y338 HydrophobicContact CE-CD2 4.03Å; M234-Y338 WeakPolarHBondContact O-CA 3.5Å; L333-Y338 HydrophobicContact CD1-CD1 4.44Å; L333-Y338 HydrophobicContact CD1-CE1 4.34Å; L333-Y338 WeakPolarHBondContact O-CE1 3.32Å; G336-Y338 VanDerWaalsContact C-N 3.32Å; G336-Y338 VanDerWaalsContact CA-CE1 3.49Å; G336-Y338 PolarHBondContact O-N 3.3Å; Y338-K340 PolarHBondContact O-N 2.87Å; Y338-F433 HydrophobicContact CE1-CE2 4.32Å; Y338-F433 HydrophobicContact CE2-CE2 4.39Å; Y338-Q436 WeakPolarHBondContact OH-CB 3.4Å; Y338-L437 HydrophobicContact CD2-CD1 4.5Å; Y338-L437 HydrophobicContact CE2-CD1 3.95Å
339	K	95.9	Very high	96.9	Very high	12 Å²	12	22 Å²	22	5%	0.052	11%	0.111	C	C	.	.			trans	-54.2	120.9	174.1	-171.9	177.6	172.9	56.7	0	110.5	M234 R240 F243 D341 V342	M234-K339 HydrophobicContact CB-CB 4.12Å; M234-K339 VanDerWaalsContact CE-O 3.26Å; M234-K339 WeakPolarHBondContact CE-O 3.33Å; M234-K339 HydrophobicContact CG-CB 4.41Å; M234-K339 PolarHBondContact O-N 2.89Å; R240-K339 HydrophobicContact CB-CB 4.49Å; R240-K339 HydrophobicContact CB-CD 4.22Å; R240-K339 HydrophobicContact CB-CG 4.49Å; R240-K339 HydrophobicContact CG-CB 4.04Å; F243-K339 HydrophobicContact CE2-CD 4.42Å; F243-K339 HydrophobicContact CZ-CD 4.21Å; F243-K339 WeakPolarHBondContact O-CE 3.41Å; K339-D341 VanDerWaalsContact CE-O 3.24Å; K339-D341 WeakPolarHBondContact CE-O 3.47Å; K339-D341 WeakPolarHBondContact CG-OD1 3.19Å; K339-D341 PolarHBondContact NZ-O 2.83Å; K339-D341 VanDerWaalsContact NZ-O 3.17Å; K339-D341 IonicContact NZ-OD1 3.91Å; K339-D341 PolarHBondContact NZ-OD1 3.27Å; K339-D341 IonicContact NZ-OD2 2.68Å; K339-D341 PolarHBondContact NZ-OD2 2.84Å; K339-V342 HydrophobicContact CD-CB 4.07Å; K339-V342 HydrophobicContact CG-CB 4.24Å; K339-V342 HydrophobicContact CG-CG1 4.37Å
340	K	95	Very high	96.8	Very high	87 Å²	87	25 Å²	25	38%	0.378	13%	0.126	S	C	.	.			trans	-104	-25.3	-178.7	-71.6	166.8	178.8	178.7	0	112.8	G336 Y338 V342 A440 A442	G336-K340 WeakPolarHBondContact O-CE 3.5Å; G336-K340 PolarHBondContact O-NZ 2.73Å; Y338-K340 PolarHBondContact O-N 2.87Å; K340-V342 PolarHBondContact O-N 2.67Å; K340-V342 VanDerWaalsContact O-N 3.15Å; K340-A440 HydrophobicContact CB-CB 4.3Å; K340-A440 HydrophobicContact CD-CB 3.72Å; K340-A440 HydrophobicContact CG-CB 3.82Å; K340-A442 HydrophobicContact CB-CB 4.07Å; K340-A442 CarbonylContact O-C 3.15Å; K340-A442 WeakPolarHBondContact O-CB 3.42Å
341	D	93.9	Very high	96.9	Very high	108 Å²	108	26 Å²	26	58%	0.578	13%	0.132	S	C	*	.	S	Bend	trans	-86.1	58.5	177.2	64.5	-38.4	0	0	0	110.6	K339	K339-D341 VanDerWaalsContact CE-O 3.24Å; K339-D341 WeakPolarHBondContact CE-O 3.47Å; K339-D341 WeakPolarHBondContact CG-OD1 3.19Å; K339-D341 PolarHBondContact NZ-O 2.83Å; K339-D341 VanDerWaalsContact NZ-O 3.17Å; K339-D341 IonicContact NZ-OD1 3.91Å; K339-D341 PolarHBondContact NZ-OD1 3.27Å; K339-D341 IonicContact NZ-OD2 2.68Å; K339-D341 PolarHBondContact NZ-OD2 2.84Å
342	V	95.9	Very high	96.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	13%	0.13	C	C	.	.			trans	-140.3	136.3	179.3	62.3	0	0	0	0	109.1	M234 F243 H244 K339 K340 L344 L437 A443	M234-V342 HydrophobicContact CE-CG1 3.55Å; M234-V342 HydrophobicContact SD-CG1 4.17Å; F243-V342 HydrophobicContact CD2-CG2 4.4Å; F243-V342 HydrophobicContact CE2-CG2 4.03Å; H244-V342 WeakPolarHBondContact O-CG2 3.49Å; K339-V342 HydrophobicContact CD-CB 4.07Å; K339-V342 HydrophobicContact CG-CB 4.24Å; K339-V342 HydrophobicContact CG-CG1 4.37Å; K340-V342 PolarHBondContact O-N 2.67Å; K340-V342 VanDerWaalsContact O-N 3.15Å; V342-L344 HydrophobicContact CG1-CD2 4.4Å; V342-L344 HydrophobicContact CG1-CG 4.45Å; V342-L344 HydrophobicContact CG2-CD2 3.94Å; V342-L437 HydrophobicContact CG1-CD1 4.49Å; V342-L437 HydrophobicContact CG1-CD2 4.29Å; V342-A443 WeakPolarHBondContact O-CB 3.07Å
343	N	97.7	Very high	96.9	Very high	35 Å²	35	25.5 Å²	25.5	19%	0.187	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.2	169.6	-48.3	-69.1	0	0	0	109.1	N245 G246 K444 F503	N245-N343 WeakPolarHBondContact CA-O 3.35Å; N245-N343 WeakPolarHBondContact OD1-CB 3.18Å; N245-N343 PolarHBondContact OD1-ND2 2.91Å; G246-N343 PolarHBondContact N-O 3.33Å; N343-K444 CarbonylContact C-O 3.42Å; N343-K444 VanDerWaalsContact CA-O 3.23Å; N343-K444 WeakPolarHBondContact CA-O 3.37Å; N343-K444 HydrophobicContact CB-CB 4.31Å; N343-K444 WeakPolarHBondContact OD1-CB 3.24Å; N343-K444 PolarHBondContact OD1-N 3.11Å; N343-F503 HydrophobicContact CB-CE2 3.94Å; N343-F503 HydrophobicContact CB-CZ 4.03Å; N343-F503 WeakPolarHBondContact O-CZ 3.18Å
344	L	98.4	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.1	178.8	-63.3	-172.5	0	0	0	112.8	M234 G246 L248 V342 V346 F433 L437 K444 V445 Y446 F503	M234-L344 HydrophobicContact CE-CD1 4.31Å; M234-L344 HydrophobicContact SD-CD1 4.07Å; M234-L344 HydrophobicContact SD-CD2 4.2Å; G246-L344 CarbonylContact O-C 3.44Å; G246-L344 VanDerWaalsContact O-CA 3.25Å; G246-L344 WeakPolarHBondContact O-CA 3.41Å; L248-L344 HydrophobicContact CD1-CB 4.45Å; L248-L344 HydrophobicContact CD1-CD1 3.98Å; L248-L344 HydrophobicContact CD1-CD2 3.64Å; L248-L344 HydrophobicContact CD1-CG 4.25Å; L248-L344 HydrophobicContact CD2-CD1 4.47Å; V342-L344 HydrophobicContact CG1-CD2 4.4Å; V342-L344 HydrophobicContact CG1-CG 4.45Å; V342-L344 HydrophobicContact CG2-CD2 3.94Å; L344-V346 HydrophobicContact CB-CG2 4.47Å; L344-F433 HydrophobicContact CD1-CD1 4.34Å; L344-F433 HydrophobicContact CD1-CE1 3.6Å; L344-F433 HydrophobicContact CD1-CZ 4.43Å; L344-L437 HydrophobicContact CB-CD2 4.36Å; L344-L437 HydrophobicContact CD1-CD2 3.4Å; L344-L437 HydrophobicContact CG-CD2 3.68Å; L344-K444 PolarHBondContact N-O 3.4Å; L344-V445 CarbonylContact O-C 3.59Å; L344-V445 WeakPolarHBondContact O-CA 3.4Å; L344-Y446 PolarHBondContact O-N 3.22Å; L344-F503 VanDerWaalsContact C-CZ 3.42Å
345	I	98.7	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.9	149.9	-67.6	176.8	0	0	0	107.2	G246 I247 L248 Y446 Y448 F503 P509 W518	G246-I345 PolarHBondContact O-N 3.45Å; I247-I345 WeakPolarHBondContact CA-O 3.41Å; I247-I345 HydrophobicContact CB-CB 4.28Å; I247-I345 HydrophobicContact CD1-CD1 4.21Å; I247-I345 HydrophobicContact CG1-CB 4.11Å; I247-I345 HydrophobicContact CG1-CD1 4.18Å; I247-I345 HydrophobicContact CG1-CG1 4.42Å; I247-I345 HydrophobicContact CG2-CB 3.9Å; I247-I345 HydrophobicContact CG2-CG2 3.93Å; L248-I345 PolarHBondContact N-O 3.27Å; I345-Y446 CarbonylContact C-O 3.56Å; I345-Y446 VanDerWaalsContact CA-O 3.27Å; I345-Y446 WeakPolarHBondContact CA-O 3.27Å; I345-Y448 HydrophobicContact CG2-CD1 3.44Å; I345-Y448 VanDerWaalsContact CG2-CD1 3.44Å; I345-Y448 HydrophobicContact CG2-CE1 3.72Å; I345-F503 HydrophobicContact CB-CE1 4.44Å; I345-F503 HydrophobicContact CB-CZ 4.46Å; I345-F503 HydrophobicContact CD1-CB 3.69Å; I345-F503 HydrophobicContact CD1-CD1 3.66Å; I345-F503 HydrophobicContact CD1-CD2 3.85Å; I345-F503 HydrophobicContact CD1-CE1 4.24Å; I345-F503 HydrophobicContact CD1-CE2 4.41Å; I345-F503 HydrophobicContact CD1-CG 3.42Å; I345-F503 VanDerWaalsContact CD1-CG 3.42Å; I345-F503 HydrophobicContact CG1-CB 4.45Å; I345-F503 HydrophobicContact CG1-CD1 3.84Å; I345-F503 HydrophobicContact CG1-CD2 3.65Å; I345-F503 HydrophobicContact CG1-CE1 3.92Å; I345-F503 HydrophobicContact CG1-CE2 3.74Å; I345-F503 HydrophobicContact CG1-CG 3.69Å; I345-F503 HydrophobicContact CG1-CZ 3.86Å; I345-P509 HydrophobicContact CD1-CG 4.05Å; I345-P509 HydrophobicContact CG1-CG 4.47Å; I345-W518 HydrophobicContact CD1-CH2 4.45Å; I345-W518 HydrophobicContact CG2-CZ2 4.47Å
346	V	98.6	Very high	97.1	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.5	169.1	179	0	0	0	0	109.2	L248 L344 A434 Y446 V447 Y448	L248-V346 HydrophobicContact CB-CG2 4.46Å; L248-V346 HydrophobicContact CD2-CG2 4.39Å; L248-V346 CarbonylContact O-C 3.54Å; L344-V346 HydrophobicContact CB-CG2 4.47Å; V346-A434 HydrophobicContact CB-CB 4.43Å; V346-A434 HydrophobicContact CG2-CB 4.02Å; V346-Y446 PolarHBondContact N-O 3.48Å; V346-V447 HydrophobicContact CB-CG2 4.39Å; V346-V447 CarbonylContact O-C 3.57Å; V346-V447 VanDerWaalsContact O-CA 3.25Å; V346-V447 WeakPolarHBondContact O-CA 3.33Å; V346-Y448 PolarHBondContact O-N 3.2Å
347	G	98.5	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.5	-168	0	0	0	0	0	113.4	L248 S250	L248-G347 WeakPolarHBondContact O-CA 3.2Å; L248-G347 PolarHBondContact O-N 3.34Å; S250-G347 WeakPolarHBondContact CA-O 3.31Å; S250-G347 PolarHBondContact N-O 3.36Å
348	L	98.4	Very high	97.3	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.4	178.6	-55.1	170.4	0	0	0	109.3	E352 T427 L431 Y448 H449 F450 I542	L348-E352 WeakPolarHBondContact CA-OE1 3.2Å; L348-T427 HydrophobicContact CD1-CG2 3.7Å; L348-T427 HydrophobicContact CD2-CG2 3.84Å; L348-T427 HydrophobicContact CG-CG2 4.33Å; L348-L431 HydrophobicContact CD1-CD1 4.18Å; L348-L431 HydrophobicContact CD1-CD2 3.93Å; L348-L431 HydrophobicContact CD1-CG 4.02Å; L348-Y448 PolarHBondContact N-O 3.23Å; L348-H449 CarbonylContact O-C 3.44Å; L348-H449 WeakPolarHBondContact O-CA 3.16Å; L348-F450 PolarHBondContact O-N 3.22Å; L348-I542 HydrophobicContact CD1-CD1 3.6Å
349	N	98.3	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.8	167.6	-67.1	-6.9	0	0	0	110.4	N351 E352 F450 V465 M466 E470	N349-N351 PolarHBondContact O-N 3.4Å; N349-E352 PolarHBondContact N-OE1 2.67Å; N349-E352 WeakPolarHBondContact O-CG 3.24Å; N349-F450 WeakPolarHBondContact OD1-CB 3.18Å; N349-V465 HydrophobicContact CB-CG1 4.26Å; N349-M466 PolarHBondContact ND2-O 3.49Å; N349-E470 PolarHBondContact ND2-OE2 2.79Å; N349-E470 PolarHBondContact OD1-OE2 3.48Å
350	E	97.5	Very high	97.3	Very high	65 Å²	65	22.1 Å²	22.1	30%	0.304	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.5	-177.4	-179.9	71.7	-141.1	0	0	112.9	H449 F450 K451 V465	E350-H449 WeakPolarHBondContact CA-NE2 3.35Å; E350-H449 IonicContact OE2-CE1 2.83Å; E350-H449 PolarHBondContact OE2-CE1 3.08Å; E350-H449 IonicContact OE2-ND1 3.89Å; E350-H449 IonicContact OE2-NE2 3.01Å; E350-H449 PolarHBondContact OE2-NE2 3.24Å; E350-F450 PolarHBondContact N-O 2.86Å; E350-K451 HydrophobicContact CB-CG 4.41Å; E350-K451 WeakPolarHBondContact OE2-CE 3.03Å; E350-V465 HydrophobicContact CB-CB 4.02Å; E350-V465 HydrophobicContact CB-CG2 4.25Å
351	N	98.1	Very high	97.4	Very high	38 Å²	38	18 Å²	18	20%	0.203	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-122.4	49.6	-172.5	-52	109.2	0	0	0	112.2	N349 G353 S354 A463 G464 V465	N349-N351 PolarHBondContact O-N 3.4Å; N351-G353 PolarHBondContact O-N 3.35Å; N351-S354 PolarHBondContact O-N 2.86Å; N351-S354 VanDerWaalsContact O-N 3.12Å; N351-S354 PolarHBondContact O-OG 3.25Å; N351-A463 WeakPolarHBondContact CB-O 3.21Å; N351-G464 WeakPolarHBondContact OD1-CA 3.46Å; N351-V465 CarbonylContact C-O 3.54Å; N351-V465 WeakPolarHBondContact CA-O 3.19Å; N351-V465 WeakPolarHBondContact CB-O 3.05Å; N351-V465 PolarHBondContact N-O 2.83Å; N351-V465 PolarHBondContact OD1-N 3.44Å
352	E	98.3	Very high	97.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-40	178.2	-66.9	-65.4	-178.9	0	0	114	S250 L348 N349 W356 F426 H467	S250-E352 VanDerWaalsContact CB-OE1 3.25Å; S250-E352 WeakPolarHBondContact CB-OE1 3.36Å; S250-E352 VanDerWaalsContact OG-CD 3.32Å; S250-E352 PolarHBondContact OG-OE1 3.35Å; S250-E352 PolarHBondContact OG-OE2 2.88Å; L348-E352 WeakPolarHBondContact CA-OE1 3.2Å; N349-E352 PolarHBondContact N-OE1 2.67Å; N349-E352 WeakPolarHBondContact O-CG 3.24Å; E352-W356 PolarHBondContact O-NE1 2.81Å; E352-F426 HydrophobicContact CB-CB 4.09Å; E352-F426 HydrophobicContact CB-CD2 4.1Å; E352-F426 HydrophobicContact CB-CG 4.28Å; E352-F426 HydrophobicContact CG-CB 3.96Å; E352-H467 IonicContact OE2-CE1 3.23Å; E352-H467 IonicContact OE2-CG 3.72Å; E352-H467 IonicContact OE2-ND1 2.62Å; E352-H467 PolarHBondContact OE2-ND1 2.74Å
353	G	98	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-20.8	-173.6	0	0	0	0	0	115.6	N351 F355 W356 T357 N418	N351-G353 PolarHBondContact O-N 3.35Å; G353-F355 VanDerWaalsContact C-N 3.3Å; G353-F355 PolarHBondContact O-N 2.02Å; G353-W356 PolarHBondContact O-N 3.22Å; G353-W356 VanDerWaalsContact O-N 3.14Å; G353-T357 PolarHBondContact O-N 2.86Å; G353-N418 WeakPolarHBondContact CA-O 3.46Å
354	S	97.6	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-25.7	-168.2	60.5	0	0	0	0	113.6	N351 T357 F358 A463 M466	N351-S354 PolarHBondContact O-N 2.86Å; N351-S354 VanDerWaalsContact O-N 3.12Å; N351-S354 PolarHBondContact O-OG 3.25Å; S354-T357 PolarHBondContact O-OG1 2.63Å; S354-F358 WeakPolarHBondContact O-CD2 3.05Å; S354-F358 VanDerWaalsContact O-CE2 3.26Å; S354-F358 WeakPolarHBondContact O-CE2 3.32Å; S354-A463 WeakPolarHBondContact CB-O 3.25Å; S354-A463 PolarHBondContact OG-O 3.21Å; S354-M466 WeakPolarHBondContact OG-CG 3.1Å
355	F	96.4	Very high	97.3	Very high	10 Å²	10	23 Å²	23	4%	0.044	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-47.3	172.2	-176.1	-93.8	0	0	0	110.6	G353 T357 F358 Y359 W459 M466 H467	G353-F355 VanDerWaalsContact C-N 3.3Å; G353-F355 PolarHBondContact O-N 2.02Å; F355-T357 PolarHBondContact O-N 3.34Å; F355-F358 PolarHBondContact O-N 2.94Å; F355-Y359 HydrophobicContact CD1-CD2 4.28Å; F355-Y359 HydrophobicContact CD1-CE2 4.22Å; F355-Y359 AromaticContact CE1-CD2 3.95Å; F355-Y359 HydrophobicContact CE1-CD2 3.95Å; F355-Y359 AromaticContact CE1-CE2 3.59Å; F355-Y359 HydrophobicContact CE1-CE2 3.59Å; F355-Y359 HydrophobicContact CE2-CE2 4Å; F355-Y359 HydrophobicContact CZ-CD2 4.28Å; F355-Y359 AromaticContact CZ-CE2 3.46Å; F355-Y359 HydrophobicContact CZ-CE2 3.46Å; F355-Y359 VanDerWaalsContact CZ-CE2 3.46Å; F355-Y359 AromaticContact CZ-CZ 3.96Å; F355-Y359 WeakPolarHBondContact O-CD2 3.43Å; F355-W459 HydrophobicContact CD2-CH2 4.46Å; F355-W459 AromaticContact CD2-CZ2 3.87Å; F355-W459 HydrophobicContact CD2-CZ2 3.87Å; F355-W459 HydrophobicContact CE2-CH2 4.32Å; F355-W459 AromaticContact CE2-CZ2 3.62Å; F355-W459 HydrophobicContact CE2-CZ2 3.62Å; F355-M466 HydrophobicContact CB-CE 3.78Å; F355-M466 HydrophobicContact CD2-CE 3.99Å; F355-M466 HydrophobicContact CG-CE 4.36Å; F355-H467 HydrophobicContact CB-CB 4.27Å
356	W	96.9	Very high	97.1	Very high	16 Å²	16	29.1 Å²	29.1	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-74.6	-27.3	-171.1	-51.8	104.4	0	0	0	113.5	L310 F312 E352 G353 F358 Y359 Y360 I421 F426 H467	L310-W356 HydrophobicContact CD1-CB 3.79Å; L310-W356 HydrophobicContact CD1-CD2 3.78Å; L310-W356 HydrophobicContact CD1-CE3 4.25Å; L310-W356 HydrophobicContact CD1-CG 3.56Å; L310-W356 HydrophobicContact CG-CD2 4.23Å; L310-W356 HydrophobicContact CG-CE3 4.21Å; L310-W356 HydrophobicContact CG-CG 4.44Å; F312-W356 HydrophobicContact CE1-CZ3 4.47Å; F312-W356 HydrophobicContact CZ-CH2 4.1Å; F312-W356 HydrophobicContact CZ-CZ3 4.06Å; E352-W356 PolarHBondContact O-NE1 2.81Å; G353-W356 PolarHBondContact O-N 3.22Å; G353-W356 VanDerWaalsContact O-N 3.14Å; W356-F358 VanDerWaalsContact C-N 3.27Å; W356-F358 PolarHBondContact O-N 3.43Å; W356-Y359 PolarHBondContact O-N 3.28Å; W356-Y360 HydrophobicContact CB-CD2 4.45Å; W356-Y360 HydrophobicContact CE3-CD2 4.44Å; W356-Y360 AromaticContact CE3-CE2 3.97Å; W356-Y360 HydrophobicContact CE3-CE2 3.97Å; W356-Y360 PolarHBondContact O-N 3.17Å; W356-I421 HydrophobicContact CB-CG2 4.18Å; W356-F426 AromaticContact CD1-CE2 3.47Å; W356-F426 VanDerWaalsContact CD1-CE2 3.47Å; W356-F426 AromaticContact CD1-CZ 3.89Å; W356-F426 HydrophobicContact CD2-CZ 4.33Å; W356-F426 AromaticContact CE2-CE2 3.85Å; W356-F426 AromaticContact CE2-CZ 3.38Å; W356-F426 HydrophobicContact CG-CE2 4.34Å; W356-F426 HydrophobicContact CZ2-CE1 4.19Å; W356-F426 HydrophobicContact CZ2-CE2 4.48Å; W356-F426 AromaticContact CZ2-CZ 3.6Å; W356-F426 HydrophobicContact CZ2-CZ 3.6Å; W356-F426 AromaticContact NE1-CE2 3.11Å; W356-F426 AromaticContact NE1-CZ 3.09Å; W356-H467 AromaticContact CE2-CD2 3.96Å; W356-H467 AromaticContact CZ2-CD2 3.43Å; W356-H467 VanDerWaalsContact CZ2-CD2 3.43Å; W356-H467 WeakPolarHBondContact CZ2-CD2 3.32Å; W356-H467 AromaticContact CZ2-NE2 3.62Å; W356-H467 AromaticContact NE1-CD2 3.94Å; W356-H467 AromaticContact NE1-CG 3.9Å
357	T	97.6	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-36.2	176.7	49.7	0	0	0	0	112.6	G353 S354 F355 Y359 L361 F365 V417 N418 I421	G353-T357 PolarHBondContact O-N 2.86Å; S354-T357 PolarHBondContact O-OG1 2.63Å; F355-T357 PolarHBondContact O-N 3.34Å; T357-Y359 VanDerWaalsContact C-N 3.33Å; T357-Y359 PolarHBondContact O-N 3.03Å; T357-L361 HydrophobicContact CG2-CD1 4.21Å; T357-L361 CarbonylContact O-C 3.44Å; T357-L361 WeakPolarHBondContact O-CA 3.31Å; T357-L361 WeakPolarHBondContact O-CB 3.37Å; T357-L361 PolarHBondContact O-N 3.33Å; T357-F365 HydrophobicContact CG2-CD1 4.48Å; T357-F365 HydrophobicContact CG2-CD2 4.33Å; T357-F365 HydrophobicContact CG2-CE1 4.15Å; T357-F365 HydrophobicContact CG2-CE2 4.04Å; T357-F365 HydrophobicContact CG2-CZ 3.93Å; T357-V417 HydrophobicContact CG2-CG1 3.95Å; T357-N418 WeakPolarHBondContact CG2-OD1 3.39Å; T357-N418 PolarHBondContact OG1-OD1 2.58Å; T357-I421 HydrophobicContact CG2-CD1 3.42Å; T357-I421 VanDerWaalsContact CG2-CD1 3.42Å
358	F	96.8	Very high	96.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-37.9	176.7	-66.5	-73.6	0	0	0	112.6	F101 S354 F355 W356 F365 I367 W459 P460 W462 A463 M466	F101-F358 HydrophobicContact CE2-CB 4.19Å; F101-F358 HydrophobicContact CZ-CB 3.87Å; S354-F358 WeakPolarHBondContact O-CD2 3.05Å; S354-F358 VanDerWaalsContact O-CE2 3.26Å; S354-F358 WeakPolarHBondContact O-CE2 3.32Å; F355-F358 PolarHBondContact O-N 2.94Å; W356-F358 VanDerWaalsContact C-N 3.27Å; W356-F358 PolarHBondContact O-N 3.43Å; F358-F365 HydrophobicContact CD1-CB 4.23Å; F358-I367 HydrophobicContact CD1-CG1 3.92Å; F358-I367 HydrophobicContact CE1-CG1 4.08Å; F358-W459 HydrophobicContact CB-CH2 4.47Å; F358-W459 HydrophobicContact CB-CZ3 3.94Å; F358-W459 HydrophobicContact CD1-CZ3 4.2Å; F358-W459 AromaticContact CD2-CE3 3.55Å; F358-W459 HydrophobicContact CD2-CE3 3.55Å; F358-W459 HydrophobicContact CD2-CH2 4.23Å; F358-W459 AromaticContact CD2-CZ3 3.29Å; F358-W459 HydrophobicContact CD2-CZ3 3.29Å; F358-W459 HydrophobicContact CE1-CE3 4.49Å; F358-W459 HydrophobicContact CE2-CD2 4.44Å; F358-W459 AromaticContact CE2-CE3 3.44Å; F358-W459 HydrophobicContact CE2-CE3 3.44Å; F358-W459 VanDerWaalsContact CE2-CE3 3.44Å; F358-W459 AromaticContact CE2-CZ3 3.72Å; F358-W459 HydrophobicContact CE2-CZ3 3.72Å; F358-W459 HydrophobicContact CG-CE3 4.15Å; F358-W459 HydrophobicContact CG-CH2 4.5Å; F358-W459 AromaticContact CG-CZ3 3.56Å; F358-W459 HydrophobicContact CG-CZ3 3.56Å; F358-W459 AromaticContact CZ-CE3 3.93Å; F358-W459 HydrophobicContact CZ-CE3 3.93Å; F358-W459 HydrophobicContact CZ-CZ3 4.31Å; F358-P460 HydrophobicContact CE1-CG 4.25Å; F358-P460 HydrophobicContact CZ-CG 3.91Å; F358-W462 AromaticContact CE1-CH2 3.62Å; F358-W462 HydrophobicContact CE1-CH2 3.62Å; F358-W462 AromaticContact CE1-CZ2 3.46Å; F358-W462 HydrophobicContact CE1-CZ2 3.46Å; F358-W462 VanDerWaalsContact CE1-CZ2 3.46Å; F358-W462 AromaticContact CE2-CH2 3.73Å; F358-W462 HydrophobicContact CE2-CH2 3.73Å; F358-W462 HydrophobicContact CE2-CZ2 4.22Å; F358-W462 HydrophobicContact CE2-CZ3 4.42Å; F358-W462 AromaticContact CZ-CH2 3.14Å; F358-W462 HydrophobicContact CZ-CH2 3.14Å; F358-W462 AromaticContact CZ-CZ2 3.21Å; F358-W462 HydrophobicContact CZ-CZ2 3.21Å; F358-W462 HydrophobicContact CZ-CZ3 4.13Å; F358-A463 HydrophobicContact CE2-CB 4.13Å; F358-A463 HydrophobicContact CZ-CB 4.41Å; F358-M466 HydrophobicContact CD2-CE 4.37Å; F358-M466 HydrophobicContact CE2-CE 4.1Å
359	Y	95.8	Very high	96	Very high	46 Å²	46	42.4 Å²	42.4	18%	0.18	19%	0.194	C	C	.	.	H	α-helix	trans	-82	-41.6	-177.1	-75.2	-93.8	0	0	0	112.9	D98 T100 F101 A107 F355 W356 T357 W459	D98-Y359 VanDerWaalsContact OD2-CE1 3.26Å; D98-Y359 WeakPolarHBondContact OD2-CE1 3.32Å; D98-Y359 PolarHBondContact OD2-OH 2.9Å; T100-Y359 HydrophobicContact CG2-CD1 3.98Å; T100-Y359 HydrophobicContact CG2-CE1 4.08Å; F101-Y359 HydrophobicContact CD2-CE1 4.09Å; F101-Y359 HydrophobicContact CD2-CE2 4.18Å; F101-Y359 AromaticContact CD2-CZ 3.76Å; F101-Y359 HydrophobicContact CE2-CD1 4.11Å; F101-Y359 AromaticContact CE2-CD2 3.98Å; F101-Y359 HydrophobicContact CE2-CD2 3.98Å; F101-Y359 AromaticContact CE2-CE1 3.83Å; F101-Y359 HydrophobicContact CE2-CE1 3.83Å; F101-Y359 AromaticContact CE2-CE2 3.68Å; F101-Y359 HydrophobicContact CE2-CE2 3.68Å; F101-Y359 HydrophobicContact CE2-CG 4.19Å; F101-Y359 AromaticContact CE2-CZ 3.61Å; A107-Y359 WeakPolarHBondContact CB-OH 3.34Å; F355-Y359 HydrophobicContact CD1-CD2 4.28Å; F355-Y359 HydrophobicContact CD1-CE2 4.22Å; F355-Y359 AromaticContact CE1-CD2 3.95Å; F355-Y359 HydrophobicContact CE1-CD2 3.95Å; F355-Y359 AromaticContact CE1-CE2 3.59Å; F355-Y359 HydrophobicContact CE1-CE2 3.59Å; F355-Y359 HydrophobicContact CE2-CE2 4Å; F355-Y359 HydrophobicContact CZ-CD2 4.28Å; F355-Y359 AromaticContact CZ-CE2 3.46Å; F355-Y359 HydrophobicContact CZ-CE2 3.46Å; F355-Y359 VanDerWaalsContact CZ-CE2 3.46Å; F355-Y359 AromaticContact CZ-CZ 3.96Å; F355-Y359 WeakPolarHBondContact O-CD2 3.43Å; W356-Y359 PolarHBondContact O-N 3.28Å; T357-Y359 VanDerWaalsContact C-N 3.33Å; T357-Y359 PolarHBondContact O-N 3.03Å; Y359-W459 AromaticContact CE2-CH2 3.98Å; Y359-W459 HydrophobicContact CE2-CH2 3.98Å
360	Y	96.4	Very high	95.7	Very high	53 Å²	53	47.5 Å²	47.5	21%	0.208	22%	0.221	C	C	.	.	H	α-helix	trans	-104.1	-13.6	-170.4	-70.7	-91.2	0	0	0	114.3	F309 L310 W356	F309-Y360 HydrophobicContact CD2-CD1 4.34Å; F309-Y360 HydrophobicContact CD2-CG 4.29Å; F309-Y360 HydrophobicContact CE2-CG 4.11Å; F309-Y360 HydrophobicContact CZ-CG 4.37Å; L310-Y360 HydrophobicContact CB-CE2 4.47Å; L310-Y360 HydrophobicContact CG-CE2 4.26Å; W356-Y360 HydrophobicContact CB-CD2 4.45Å; W356-Y360 HydrophobicContact CE3-CD2 4.44Å; W356-Y360 AromaticContact CE3-CE2 3.97Å; W356-Y360 HydrophobicContact CE3-CE2 3.97Å; W356-Y360 PolarHBondContact O-N 3.17Å
361	L	97.1	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.			trans	-125	48.7	175.1	-57.2	174.2	0	0	0	112	F309 T357 K363 H364 F365 C381 E384 V417 I421	F309-L361 HydrophobicContact CD2-CD2 4.38Å; F309-L361 HydrophobicContact CE2-CD1 4.32Å; F309-L361 HydrophobicContact CE2-CD2 3.76Å; F309-L361 HydrophobicContact CE2-CG 3.77Å; F309-L361 HydrophobicContact CZ-CG 4.39Å; T357-L361 HydrophobicContact CG2-CD1 4.21Å; T357-L361 CarbonylContact O-C 3.44Å; T357-L361 WeakPolarHBondContact O-CA 3.31Å; T357-L361 WeakPolarHBondContact O-CB 3.37Å; T357-L361 PolarHBondContact O-N 3.33Å; L361-K363 PolarHBondContact O-N 3.49Å; L361-H364 PolarHBondContact O-N 3.05Å; L361-F365 HydrophobicContact CB-CD2 3.66Å; L361-F365 HydrophobicContact CB-CE2 4.11Å; L361-F365 HydrophobicContact CD1-CD2 4.23Å; L361-F365 HydrophobicContact CD1-CE2 3.84Å; L361-F365 PolarHBondContact O-N 3.08Å; L361-C381 HydrophobicContact CD1-CB 3.87Å; L361-E384 HydrophobicContact CD2-CB 4.07Å; L361-E384 HydrophobicContact CD2-CG 3.86Å; L361-E384 VanDerWaalsContact CD2-OE2 3.25Å; L361-E384 WeakPolarHBondContact CD2-OE2 3.5Å; L361-V417 HydrophobicContact CD1-CG1 3.71Å; L361-I421 HydrophobicContact CD1-CD1 3.98Å
362	P	95.7	Very high	95.4	Very high	74 Å²	74	47 Å²	47	48%	0.481	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.8	-172.5	29.5	-37.8	0	0	0	113.9	H364	P362-H364 PolarHBondContact O-N 2.78Å
363	K	95.4	Very high	95.3	Very high	141 Å²	141	47.2 Å²	47.2	61%	0.613	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-34	170.3	-177.4	-179.7	172.9	-167	0	111.7	L361 D380	L361-K363 PolarHBondContact O-N 3.49Å; K363-D380 IonicContact NZ-OD1 4Å; K363-D380 IonicContact NZ-OD2 3.17Å; K363-D380 PolarHBondContact NZ-OD2 2.94Å
364	H	96.6	Very high	95.1	Very high	31 Å²	31	50 Å²	50	14%	0.144	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-29.4	-170.1	-62	-60.4	0	0	0	113	L361 P362 L373 D380 C381	L361-H364 PolarHBondContact O-N 3.05Å; P362-H364 PolarHBondContact O-N 2.78Å; H364-L373 HydrophobicContact CB-CD2 3.79Å; H364-D380 IonicContact CE1-OD2 2.61Å; H364-D380 PolarHBondContact CE1-OD2 3.42Å; H364-D380 VanDerWaalsContact CE1-OD2 3.3Å; H364-D380 IonicContact NE2-OD2 3.85Å; H364-D380 PolarHBondContact NE2-OD2 3.4Å; H364-C381 PolarHBondContact CD2-SG 3.12Å
365	F	96.8	Very high	94.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	26%	0.26	C	S	.	.			trans	-117.5	123.6	-175.4	-64.4	-94.9	0	0	0	111.6	T357 F358 L361 S371 L373 R414 V417 W462	T357-F365 HydrophobicContact CG2-CD1 4.48Å; T357-F365 HydrophobicContact CG2-CD2 4.33Å; T357-F365 HydrophobicContact CG2-CE1 4.15Å; T357-F365 HydrophobicContact CG2-CE2 4.04Å; T357-F365 HydrophobicContact CG2-CZ 3.93Å; F358-F365 HydrophobicContact CD1-CB 4.23Å; L361-F365 HydrophobicContact CB-CD2 3.66Å; L361-F365 HydrophobicContact CB-CE2 4.11Å; L361-F365 HydrophobicContact CD1-CD2 4.23Å; L361-F365 HydrophobicContact CD1-CE2 3.84Å; L361-F365 PolarHBondContact O-N 3.08Å; F365-S371 WeakPolarHBondContact CA-OG 3.36Å; F365-L373 HydrophobicContact CE2-CD1 4.11Å; F365-L373 HydrophobicContact CZ-CD1 3.8Å; F365-R414 HydrophobicContact CD1-CG 4.45Å; F365-R414 HydrophobicContact CE1-CG 3.63Å; F365-R414 HydrophobicContact CZ-CG 4.37Å; F365-V417 HydrophobicContact CE2-CG1 3.99Å; F365-V417 HydrophobicContact CZ-CB 3.97Å; F365-V417 HydrophobicContact CZ-CG1 3.83Å; F365-W462 AromaticContact CD1-CH2 3.61Å; F365-W462 HydrophobicContact CD1-CH2 3.61Å; F365-W462 HydrophobicContact CD1-CZ2 4.31Å; F365-W462 HydrophobicContact CD1-CZ3 4.18Å; F365-W462 HydrophobicContact CE1-CH2 4.2Å; F365-W462 HydrophobicContact CE1-CZ3 4.32Å
366	R	94.7	Very high	94.9	Very high	129 Å²	129	59.9 Å²	59.9	49%	0.487	29%	0.291	S	S	.	.			trans	-137.2	143.3	179.6	-62.2	-171.7	-177.2	-169.1	1.2	110.3	E368 H369 S371	R366-E368 PolarHBondContact O-N 2.82Å; R366-H369 PolarHBondContact O-N 3.37Å; R366-H369 VanDerWaalsContact O-O 3.08Å; R366-S371 PolarHBondContact N-OG 2.96Å; R366-S371 PolarHBondContact O-OG 2.93Å
367	I	93.6	Very high	94.8	Very high	29 Å²	29	59.9 Å²	59.9	15%	0.149	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.2	-177.4	-63.2	175.8	0	0	0	110.6	F101 F104 F358 H369 W459 P460	F101-I367 HydrophobicContact CB-CD1 4.09Å; F101-I367 HydrophobicContact CD1-CD1 3.36Å; F101-I367 HydrophobicContact CD1-CG1 4.28Å; F101-I367 HydrophobicContact CD2-CD1 4.05Å; F101-I367 HydrophobicContact CE1-CD1 3.7Å; F101-I367 HydrophobicContact CE1-CG1 4.17Å; F101-I367 HydrophobicContact CE2-CD1 4.33Å; F101-I367 HydrophobicContact CG-CD1 3.55Å; F101-I367 HydrophobicContact CZ-CD1 4.18Å; F104-I367 HydrophobicContact CD1-CD1 3.68Å; F104-I367 HydrophobicContact CD2-CG2 4.35Å; F104-I367 HydrophobicContact CE1-CD1 3.82Å; F104-I367 HydrophobicContact CE2-CG2 3.96Å; F104-I367 HydrophobicContact CG-CD1 4.08Å; F104-I367 HydrophobicContact CZ-CD1 4.34Å; F104-I367 HydrophobicContact CZ-CG2 4.1Å; F358-I367 HydrophobicContact CD1-CG1 3.92Å; F358-I367 HydrophobicContact CE1-CG1 4.08Å; I367-H369 VanDerWaalsContact C-N 3.28Å; I367-H369 PolarHBondContact O-N 2.84Å; I367-W459 HydrophobicContact CD1-CE3 4.31Å; I367-W459 HydrophobicContact CD1-CH2 4.29Å; I367-W459 HydrophobicContact CD1-CZ3 3.73Å; I367-W459 HydrophobicContact CG1-CE3 4.19Å; I367-W459 HydrophobicContact CG1-CZ3 3.84Å; I367-P460 HydrophobicContact CG2-CG 4.39Å; I367-P460 VanDerWaalsContact O-CG 3.26Å; I367-P460 WeakPolarHBondContact O-CG 3.45Å
368	E	91	Very high	94.8	Very high	143 Å²	143	59.9 Å²	59.9	67%	0.668	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-9	-175.8	-53.6	76.6	-164.9	0	0	113.6	R366	R366-E368 PolarHBondContact O-N 2.82Å
369	H	88.5	Confident	94.7	Very high	111 Å²	111	62.5 Å²	62.5	51%	0.514	31%	0.307	S	S	.	.	S	Bend	trans	-129.8	158.6	-171.6	-57.5	144.9	0	0	0	112.9	R366 I367 S371 W462	R366-H369 PolarHBondContact O-N 3.37Å; R366-H369 VanDerWaalsContact O-O 3.08Å; I367-H369 VanDerWaalsContact C-N 3.28Å; I367-H369 PolarHBondContact O-N 2.84Å; H369-S371 PolarHBondContact O-N 2.97Å; H369-S371 VanDerWaalsContact O-N 3.08Å; H369-S371 PolarHBondContact O-OG 3.09Å; H369-W462 PolarHBondContact O-NE1 3.31Å
370	D	91.3	Very high	94.8	Very high	107 Å²	107	63 Å²	63	57%	0.572	31%	0.312	S	S	*	.			trans	-66.5	-8.8	173.8	-70.1	-37.6	0	0	0	114.1	L372 R414 W462	D370-L372 HydrophobicContact CB-CD2 4.18Å; D370-L372 HydrophobicContact CB-CG 3.99Å; D370-L372 PolarHBondContact O-N 3.43Å; D370-R414 WeakPolarHBondContact O-CD 3.43Å; D370-R414 PolarHBondContact O-NH1 3.4Å; D370-R414 VanDerWaalsContact O-NH1 3.14Å; D370-W462 PolarHBondContact O-NE1 3.5Å
371	S	92.9	Very high	94.9	Very high	8 Å²	8	60.4 Å²	60.4	6%	0.056	30%	0.302	C	S	.	.			trans	52.8	41.5	175.4	-56.3	0	0	0	0	112.7	F365 R366 H369 R414	F365-S371 WeakPolarHBondContact CA-OG 3.36Å; R366-S371 PolarHBondContact N-OG 2.96Å; R366-S371 PolarHBondContact O-OG 2.93Å; H369-S371 PolarHBondContact O-N 2.97Å; H369-S371 VanDerWaalsContact O-N 3.08Å; H369-S371 PolarHBondContact O-OG 3.09Å; S371-R414 WeakPolarHBondContact O-CG 3.31Å
372	L	95.5	Very high	94.9	Very high	84 Å²	84	60.4 Å²	60.4	44%	0.44	30%	0.302	S	S	.	.			trans	-66.9	132.5	179	-61.7	-176.5	0	0	0	110.8	D370 P410 E411	D370-L372 HydrophobicContact CB-CD2 4.18Å; D370-L372 HydrophobicContact CB-CG 3.99Å; D370-L372 PolarHBondContact O-N 3.43Å; L372-P410 HydrophobicContact CB-CB 3.76Å; L372-P410 HydrophobicContact CD1-CB 4.46Å; L372-P410 HydrophobicContact CD2-CB 4.35Å; L372-P410 HydrophobicContact CG-CB 4.41Å; L372-E411 HydrophobicContact CD2-CB 4.49Å; L372-E411 HydrophobicContact CD2-CG 3.7Å
373	L	95.7	Very high	94.9	Very high	5 Å²	5	60 Å²	60	3%	0.026	29%	0.294	C	S	.	.			trans	-110.6	139.1	-173.8	-57.6	-171.5	0	0	0	112.5	H364 F365 A377 P410 Y413 R414 V417	H364-L373 HydrophobicContact CB-CD2 3.79Å; F365-L373 HydrophobicContact CE2-CD1 4.11Å; F365-L373 HydrophobicContact CZ-CD1 3.8Å; L373-A377 HydrophobicContact CB-CB 4.2Å; L373-A377 HydrophobicContact CD2-CB 4.23Å; L373-P410 PolarHBondContact N-O 3.37Å; L373-P410 WeakPolarHBondContact O-CA 3.5Å; L373-Y413 WeakPolarHBondContact O-CD2 3.25Å; L373-R414 HydrophobicContact CD1-CB 4.5Å; L373-R414 HydrophobicContact CG-CB 4.16Å; L373-V417 HydrophobicContact CD1-CB 4.5Å; L373-V417 HydrophobicContact CD1-CG2 3.75Å
374	S	95	Very high	94.9	Very high	59 Å²	59	57.2 Å²	57.2	41%	0.413	28%	0.283	S	S	.	.			trans	-74.5	166.6	160.7	70.9	0	0	0	0	110.4	D376 A377 F378	S374-D376 PolarHBondContact O-N 2.79Å; S374-D376 PolarHBondContact OG-N 3.47Å; S374-A377 PolarHBondContact O-N 3.31Å; S374-A377 PolarHBondContact OG-N 2.98Å; S374-F378 PolarHBondContact O-N 3.39Å
375	K	93.7	Very high	94.9	Very high	88 Å²	88	56 Å²	56	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-56.9	-38.4	171	-177.5	174.8	176.4	177.3	0	112.4	F378 M379 L402 Y413	K375-F378 WeakPolarHBondContact O-CB 3.41Å; K375-F378 PolarHBondContact O-N 3.03Å; K375-M379 WeakPolarHBondContact O-CG 3.01Å; K375-M379 PolarHBondContact O-N 3.45Å; K375-L402 HydrophobicContact CD-CD1 4.44Å; K375-L402 HydrophobicContact CG-CD1 4.23Å; K375-Y413 HydrophobicContact CB-CE1 4.4Å; K375-Y413 HydrophobicContact CB-CE2 4.18Å; K375-Y413 HydrophobicContact CG-CE1 4.46Å
376	D	94.9	Very high	94.8	Very high	130 Å²	130	56 Å²	56	70%	0.695	28%	0.279	S	S	*	.	H	α-helix	trans	-69.2	-39.3	178.2	-64.5	-26.6	0	0	0	111.6	S374 F378 M379 D380	S374-D376 PolarHBondContact O-N 2.79Å; S374-D376 PolarHBondContact OG-N 3.47Å; D376-F378 VanDerWaalsContact C-N 3.35Å; D376-M379 PolarHBondContact O-N 3.27Å; D376-D380 WeakPolarHBondContact O-CB 3.4Å; D376-D380 PolarHBondContact O-N 3.21Å
377	A	96.4	Very high	94.7	Very high	15 Å²	15	53 Å²	53	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-38.3	173.9	0	0	0	0	0	111.9	L373 S374 D380 C381	L373-A377 HydrophobicContact CB-CB 4.2Å; L373-A377 HydrophobicContact CD2-CB 4.23Å; S374-A377 PolarHBondContact O-N 3.31Å; S374-A377 PolarHBondContact OG-N 2.98Å; A377-D380 WeakPolarHBondContact O-CB 3.01Å; A377-D380 PolarHBondContact O-N 3.32Å; A377-C381 PolarHBondContact O-N 3.3Å; A377-C381 PolarHBondContact O-SG 3.2Å
378	F	96.2	Very high	94.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-49.1	170.3	167.7	-93.1	0	0	0	111.3	S374 K375 D376 D380 C381 V382 A398 L402 Y413 A416 V417	S374-F378 PolarHBondContact O-N 3.39Å; K375-F378 WeakPolarHBondContact O-CB 3.41Å; K375-F378 PolarHBondContact O-N 3.03Å; D376-F378 VanDerWaalsContact C-N 3.35Å; F378-D380 VanDerWaalsContact C-N 3.32Å; F378-D380 PolarHBondContact O-N 3.43Å; F378-C381 WeakPolarHBondContact O-CB 3.49Å; F378-C381 PolarHBondContact O-N 3.47Å; F378-V382 HydrophobicContact CD1-CG2 4.39Å; F378-V382 HydrophobicContact CE1-CG2 3.92Å; F378-V382 HydrophobicContact CE2-CG2 4.28Å; F378-V382 HydrophobicContact CZ-CG2 3.85Å; F378-V382 WeakPolarHBondContact O-CG2 3.37Å; F378-V382 PolarHBondContact O-N 3.11Å; F378-A398 HydrophobicContact CE1-CB 4.34Å; F378-L402 HydrophobicContact CD1-CD1 3.9Å; F378-L402 HydrophobicContact CE1-CD1 3.76Å; F378-Y413 HydrophobicContact CB-CD1 3.99Å; F378-Y413 HydrophobicContact CB-CG 4.24Å; F378-Y413 HydrophobicContact CD1-CD1 4.5Å; F378-Y413 HydrophobicContact CD2-CD1 4.26Å; F378-Y413 AromaticContact CG-CD1 4Å; F378-Y413 HydrophobicContact CG-CD1 4Å; F378-A416 HydrophobicContact CD2-CB 4.2Å; F378-A416 HydrophobicContact CE2-CB 3.73Å; F378-V417 HydrophobicContact CD2-CG2 3.66Å; F378-V417 HydrophobicContact CE2-CG2 4.19Å
379	M	96	Very high	94.3	Very high	57 Å²	57	51.7 Å²	51.7	28%	0.281	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-41	178.1	-70.7	-54.4	-62.8	0	0	111.9	K375 D376 C381 V382 E383 A398	K375-M379 WeakPolarHBondContact O-CG 3.01Å; K375-M379 PolarHBondContact O-N 3.45Å; D376-M379 PolarHBondContact O-N 3.27Å; M379-C381 VanDerWaalsContact C-N 3.32Å; M379-C381 PolarHBondContact O-N 2.93Å; M379-V382 PolarHBondContact O-N 3.12Å; M379-V382 VanDerWaalsContact O-N 3.15Å; M379-E383 WeakPolarHBondContact O-CG 3.47Å; M379-E383 PolarHBondContact O-N 3.21Å; M379-A398 HydrophobicContact CE-CB 3.72Å; M379-A398 HydrophobicContact SD-CB 3.72Å
380	D	97.2	Very high	94.3	Very high	56 Å²	56	50.2 Å²	50.2	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-58.1	-44	174.6	-163.9	43.7	0	0	0	111.3	K363 H364 D376 A377 F378 V382 E383 E384	K363-D380 IonicContact NZ-OD1 4Å; K363-D380 IonicContact NZ-OD2 3.17Å; K363-D380 PolarHBondContact NZ-OD2 2.94Å; H364-D380 IonicContact CE1-OD2 2.61Å; H364-D380 PolarHBondContact CE1-OD2 3.42Å; H364-D380 VanDerWaalsContact CE1-OD2 3.3Å; H364-D380 IonicContact NE2-OD2 3.85Å; H364-D380 PolarHBondContact NE2-OD2 3.4Å; D376-D380 WeakPolarHBondContact O-CB 3.4Å; D376-D380 PolarHBondContact O-N 3.21Å; A377-D380 WeakPolarHBondContact O-CB 3.01Å; A377-D380 PolarHBondContact O-N 3.32Å; F378-D380 VanDerWaalsContact C-N 3.32Å; F378-D380 PolarHBondContact O-N 3.43Å; D380-V382 VanDerWaalsContact C-N 3.34Å; D380-V382 PolarHBondContact O-N 3.22Å; D380-E383 PolarHBondContact O-N 3.46Å; D380-E384 WeakPolarHBondContact O-CB 3.49Å; D380-E384 PolarHBondContact O-N 2.88Å
381	C	97.8	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-38.9	174.9	-63.6	0	0	0	0	112.6	L361 H364 A377 F378 M379 S385 V417	L361-C381 HydrophobicContact CD1-CB 3.87Å; H364-C381 PolarHBondContact CD2-SG 3.12Å; A377-C381 PolarHBondContact O-N 3.3Å; A377-C381 PolarHBondContact O-SG 3.2Å; F378-C381 WeakPolarHBondContact O-CB 3.49Å; F378-C381 PolarHBondContact O-N 3.47Å; M379-C381 VanDerWaalsContact C-N 3.32Å; M379-C381 PolarHBondContact O-N 2.93Å; C381-S385 VanDerWaalsContact O-CB 3.25Å; C381-S385 WeakPolarHBondContact O-CB 3.37Å; C381-S385 PolarHBondContact O-N 2.74Å; C381-S385 PolarHBondContact O-OG 3.27Å; C381-V417 HydrophobicContact CB-CG1 3.98Å; C381-V417 HydrophobicContact CB-CG2 3.71Å
382	V	97.1	Very high	94.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-44.4	175.9	-179.4	0	0	0	0	111	F378 M379 D380 E384 L386 R394 A398 M420	F378-V382 HydrophobicContact CD1-CG2 4.39Å; F378-V382 HydrophobicContact CE1-CG2 3.92Å; F378-V382 HydrophobicContact CE2-CG2 4.28Å; F378-V382 HydrophobicContact CZ-CG2 3.85Å; F378-V382 WeakPolarHBondContact O-CG2 3.37Å; F378-V382 PolarHBondContact O-N 3.11Å; M379-V382 PolarHBondContact O-N 3.12Å; M379-V382 VanDerWaalsContact O-N 3.15Å; D380-V382 VanDerWaalsContact C-N 3.34Å; D380-V382 PolarHBondContact O-N 3.22Å; V382-E384 VanDerWaalsContact C-N 3.34Å; V382-E384 PolarHBondContact O-N 3.24Å; V382-L386 HydrophobicContact CG1-CD1 3.95Å; V382-L386 WeakPolarHBondContact O-CB 3.45Å; V382-L386 PolarHBondContact O-N 3.46Å; V382-L386 VanDerWaalsContact O-N 3.16Å; V382-R394 HydrophobicContact CG1-CB 4.48Å; V382-R394 WeakPolarHBondContact CG1-O 3.26Å; V382-A398 HydrophobicContact CG1-CB 4.17Å; V382-A398 HydrophobicContact CG2-CB 4.3Å; V382-M420 HydrophobicContact CB-SD 4.47Å; V382-M420 HydrophobicContact CG1-SD 4.28Å; V382-M420 HydrophobicContact CG2-CE 4.06Å; V382-M420 HydrophobicContact CG2-SD 3.84Å
383	E	96.5	Very high	93.9	Very high	65 Å²	65	50.3 Å²	50.3	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-40.3	-179.8	-68.2	-65.6	153.3	0	0	111.8	M379 D380 A387 R394	M379-E383 WeakPolarHBondContact O-CG 3.47Å; M379-E383 PolarHBondContact O-N 3.21Å; D380-E383 PolarHBondContact O-N 3.46Å; E383-A387 WeakPolarHBondContact O-CA 3.09Å; E383-A387 PolarHBondContact O-N 2.97Å; E383-R394 IonicContact OE2-CZ 3.54Å; E383-R394 IonicContact OE2-NE 3.81Å; E383-R394 IonicContact OE2-NH1 3.24Å; E383-R394 PolarHBondContact OE2-NH1 2.97Å; E383-R394 IonicContact OE2-NH2 3.05Å
384	E	96.1	Very high	93.8	Very high	83 Å²	83	52.3 Å²	52.3	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-71.3	-50.1	177.6	-174.7	169.1	-169.5	0	0	112.2	L361 D380 V382 L386 A387	L361-E384 HydrophobicContact CD2-CB 4.07Å; L361-E384 HydrophobicContact CD2-CG 3.86Å; L361-E384 VanDerWaalsContact CD2-OE2 3.25Å; L361-E384 WeakPolarHBondContact CD2-OE2 3.5Å; D380-E384 WeakPolarHBondContact O-CB 3.49Å; D380-E384 PolarHBondContact O-N 2.88Å; V382-E384 VanDerWaalsContact C-N 3.34Å; V382-E384 PolarHBondContact O-N 3.24Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.36Å; E384-A387 PolarHBondContact O-N 3.04Å
385	S	96.3	Very high	93.6	Very high	5 Å²	5	57.6 Å²	57.6	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-24.1	-174.4	59.3	0	0	0	0	114.7	F309 C381 M420	F309-S385 WeakPolarHBondContact CB-O 3Å; F309-S385 VanDerWaalsContact CG-CA 3.46Å; C381-S385 VanDerWaalsContact O-CB 3.25Å; C381-S385 WeakPolarHBondContact O-CB 3.37Å; C381-S385 PolarHBondContact O-N 2.74Å; C381-S385 PolarHBondContact O-OG 3.27Å; S385-M420 WeakPolarHBondContact OG-CE 3.44Å
386	L	94.3	Very high	93.5	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	24.7	-177.9	-58.3	176.6	0	0	0	112.1	V382 E384 L388 Y389 R394 A397 M420 Y424 W550	V382-L386 HydrophobicContact CG1-CD1 3.95Å; V382-L386 WeakPolarHBondContact O-CB 3.45Å; V382-L386 PolarHBondContact O-N 3.46Å; V382-L386 VanDerWaalsContact O-N 3.16Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.36Å; L386-L388 PolarHBondContact O-N 3Å; L386-L388 VanDerWaalsContact O-N 3.09Å; L386-Y389 HydrophobicContact CB-CD2 4.17Å; L386-Y389 HydrophobicContact CD2-CD2 4.18Å; L386-Y389 WeakPolarHBondContact O-CB 3.38Å; L386-Y389 PolarHBondContact O-N 3.43Å; L386-R394 HydrophobicContact CB-CG 3.8Å; L386-R394 WeakPolarHBondContact O-CD 3.37Å; L386-A397 HydrophobicContact CD1-CB 3.52Å; L386-M420 HydrophobicContact CD1-SD 4.14Å; L386-Y424 HydrophobicContact CD2-CD1 4.13Å; L386-Y424 HydrophobicContact CD2-CE1 4.42Å; L386-W550 HydrophobicContact CD1-CH2 3.74Å; L386-W550 HydrophobicContact CD1-CZ3 4.44Å; L386-W550 HydrophobicContact CD2-CH2 4.05Å; L386-W550 HydrophobicContact CD2-CZ3 4.35Å
387	A	92.9	Very high	93.4	Very high	64 Å²	64	49.5 Å²	49.5	53%	0.529	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.8	-175	0	0	0	0	0	114.3	E383 E384 Y389	E383-A387 WeakPolarHBondContact O-CA 3.09Å; E383-A387 PolarHBondContact O-N 2.97Å; E384-A387 PolarHBondContact O-N 3.04Å; A387-Y389 PolarHBondContact O-N 2.94Å
388	L	87.1	Confident	93.3	Very high	111 Å²	111	49 Å²	49	58%	0.581	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.1	174.9	-73.7	-179.2	0	0	0	113.8	S308 L386	S308-L388 VanDerWaalsContact OG-CD1 3.32Å; S308-L388 WeakPolarHBondContact OG-CD1 3.47Å; S308-L388 VanDerWaalsContact OG-CD2 3.26Å; S308-L388 WeakPolarHBondContact OG-CD2 3.26Å; S308-L388 VanDerWaalsContact OG-CG 3.28Å; S308-L388 WeakPolarHBondContact OG-CG 3.19Å; L386-L388 PolarHBondContact O-N 3Å; L386-L388 VanDerWaalsContact O-N 3.09Å
389	Y	88.1	Confident	93.1	Very high	34 Å²	34	57.2 Å²	57.2	13%	0.133	30%	0.301	C	S	.	.	S	Bend	trans	-97.8	145.5	-173.2	-68.1	-79	0	0	0	112.7	L386 A387 V393 R394 Y424 E557	L386-Y389 HydrophobicContact CB-CD2 4.17Å; L386-Y389 HydrophobicContact CD2-CD2 4.18Å; L386-Y389 WeakPolarHBondContact O-CB 3.38Å; L386-Y389 PolarHBondContact O-N 3.43Å; A387-Y389 PolarHBondContact O-N 2.94Å; Y389-V393 HydrophobicContact CD1-CG1 4.1Å; Y389-V393 HydrophobicContact CG-CG1 4.05Å; Y389-R394 PolarHBondContact O-NE 3.11Å; Y389-Y424 HydrophobicContact CE2-CE1 4.04Å; Y389-Y424 AromaticContact CE2-CZ 3.99Å; Y389-Y424 AromaticContact CZ-CZ 3.89Å; Y389-Y424 PolarHBondContact OH-OH 3.08Å; Y389-E557 WeakPolarHBondContact CE1-OE1 3.35Å; Y389-E557 PolarHBondContact OH-OE1 3.36Å
390	P	89.6	Confident	92.9	Very high	81 Å²	81	57.7 Å²	57.7	53%	0.526	30%	0.302	S	S	.	.			trans	-53.8	148.7	171.9	-26	35	0	0	0	111.9	V392 V393 R394	P390-V392 HydrophobicContact CB-CG1 4.09Å; P390-V392 PolarHBondContact O-N 2.97Å; P390-V393 WeakPolarHBondContact O-CB 3.38Å; P390-V393 PolarHBondContact O-N 2.62Å; P390-R394 PolarHBondContact O-N 3.14Å
391	T	92.6	Very high	92.8	Very high	60 Å²	60	55.3 Å²	55.3	37%	0.368	29%	0.289	S	S	.	.	H	α-helix	trans	-51.3	-31.4	-179.7	-52.8	0	0	0	0	113.6	R394 R395	T391-R394 PolarHBondContact O-N 3.05Å; T391-R394 PolarHBondContact OG1-NH2 3.44Å; T391-R395 HydrophobicContact CG2-CG 4.26Å; T391-R395 WeakPolarHBondContact O-CB 3.34Å; T391-R395 VanDerWaalsContact O-CG 3.3Å; T391-R395 WeakPolarHBondContact O-CG 3.38Å; T391-R395 PolarHBondContact O-N 3.1Å
392	V	89.2	Confident	92.5	Very high	106 Å²	106	56.5 Å²	56.5	64%	0.642	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-40.8	176.3	63.4	0	0	0	0	112.6	P390 A396	P390-V392 HydrophobicContact CB-CG1 4.09Å; P390-V392 PolarHBondContact O-N 2.97Å; V392-A396 WeakPolarHBondContact O-CB 3.3Å; V392-A396 PolarHBondContact O-N 2.81Å
393	V	88.6	Confident	91.7	Very high	35 Å²	35	57 Å²	57	21%	0.212	30%	0.298	C	S	.	.	H	α-helix	trans	-69.5	-44.5	177.7	177.5	0	0	0	0	109.8	Y389 P390 R395 A396 A397 W550	Y389-V393 HydrophobicContact CD1-CG1 4.1Å; Y389-V393 HydrophobicContact CG-CG1 4.05Å; P390-V393 WeakPolarHBondContact O-CB 3.38Å; P390-V393 PolarHBondContact O-N 2.62Å; V393-R395 PolarHBondContact O-N 2.93Å; V393-A396 PolarHBondContact O-N 3.44Å; V393-A397 WeakPolarHBondContact O-CB 3.43Å; V393-A397 PolarHBondContact O-N 3.12Å; V393-W550 HydrophobicContact CG1-CZ3 4.35Å
394	R	93.3	Very high	90.9	Very high	47 Å²	47	62.4 Å²	62.4	18%	0.177	32%	0.323	C	S	.	.	H	α-helix	trans	-58.4	-45.7	177	-64.4	-172.5	-82.7	163.4	14.1	112	V382 E383 L386 Y389 P390 T391 A397 A398	V382-R394 HydrophobicContact CG1-CB 4.48Å; V382-R394 WeakPolarHBondContact CG1-O 3.26Å; E383-R394 IonicContact OE2-CZ 3.54Å; E383-R394 IonicContact OE2-NE 3.81Å; E383-R394 IonicContact OE2-NH1 3.24Å; E383-R394 PolarHBondContact OE2-NH1 2.97Å; E383-R394 IonicContact OE2-NH2 3.05Å; L386-R394 HydrophobicContact CB-CG 3.8Å; L386-R394 WeakPolarHBondContact O-CD 3.37Å; Y389-R394 PolarHBondContact O-NE 3.11Å; P390-R394 PolarHBondContact O-N 3.14Å; T391-R394 PolarHBondContact O-N 3.05Å; T391-R394 PolarHBondContact OG1-NH2 3.44Å; R394-A397 PolarHBondContact O-N 3.46Å; R394-A398 WeakPolarHBondContact O-CB 3.39Å; R394-A398 PolarHBondContact O-N 3.1Å
395	R	92.5	Very high	90.2	Very high	170 Å²	170	64.5 Å²	64.5	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-67	-38.3	176.1	-72.9	-179.7	179.6	-174.9	0.7	113	T391 V393 A398 F399	T391-R395 HydrophobicContact CG2-CG 4.26Å; T391-R395 WeakPolarHBondContact O-CB 3.34Å; T391-R395 VanDerWaalsContact O-CG 3.3Å; T391-R395 WeakPolarHBondContact O-CG 3.38Å; T391-R395 PolarHBondContact O-N 3.1Å; V393-R395 PolarHBondContact O-N 2.93Å; R395-A398 PolarHBondContact O-N 3.14Å; R395-F399 WeakPolarHBondContact O-CB 3.43Å; R395-F399 PolarHBondContact O-N 3.26Å
396	A	90.3	Very high	89.2	Confident	44 Å²	44	68.5 Å²	68.5	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-43.3	175.9	0	0	0	0	0	111.3	V392 V393 F399 H400	V392-A396 WeakPolarHBondContact O-CB 3.3Å; V392-A396 PolarHBondContact O-N 2.81Å; V393-A396 PolarHBondContact O-N 3.44Å; A396-F399 PolarHBondContact O-N 2.96Å; A396-H400 WeakPolarHBondContact O-CB 3.39Å; A396-H400 PolarHBondContact O-N 3.44Å
397	A	93.2	Very high	88.6	Confident	3 Å²	3	74.1 Å²	74.1	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-61.2	-51.3	173.6	0	0	0	0	0	111.1	L386 V393 R394 F399 H400 Y401 M420 W550	L386-A397 HydrophobicContact CD1-CB 3.52Å; V393-A397 WeakPolarHBondContact O-CB 3.43Å; V393-A397 PolarHBondContact O-N 3.12Å; R394-A397 PolarHBondContact O-N 3.46Å; A397-F399 VanDerWaalsContact C-N 3.31Å; A397-F399 PolarHBondContact O-N 2.79Å; A397-H400 PolarHBondContact O-N 2.89Å; A397-H400 VanDerWaalsContact O-N 3.09Å; A397-Y401 VanDerWaalsContact O-CD2 3.27Å; A397-Y401 WeakPolarHBondContact O-CD2 3.45Å; A397-Y401 PolarHBondContact O-N 3.19Å; A397-Y401 VanDerWaalsContact O-N 3.08Å; A397-M420 HydrophobicContact CB-SD 4.39Å; A397-W550 HydrophobicContact CB-CH2 3.45Å; A397-W550 VanDerWaalsContact CB-CH2 3.45Å; A397-W550 HydrophobicContact CB-CZ2 3.87Å; A397-W550 HydrophobicContact CB-CZ3 4.39Å
398	A	93.7	Very high	88.2	Confident	5 Å²	5	77 Å²	77	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-52.8	-49.4	176	0	0	0	0	0	111.6	F378 M379 V382 R394 R395 H400 Y401 L402	F378-A398 HydrophobicContact CE1-CB 4.34Å; M379-A398 HydrophobicContact CE-CB 3.72Å; M379-A398 HydrophobicContact SD-CB 3.72Å; V382-A398 HydrophobicContact CG1-CB 4.17Å; V382-A398 HydrophobicContact CG2-CB 4.3Å; R394-A398 WeakPolarHBondContact O-CB 3.39Å; R394-A398 PolarHBondContact O-N 3.1Å; R395-A398 PolarHBondContact O-N 3.14Å; A398-H400 VanDerWaalsContact C-N 3.33Å; A398-H400 PolarHBondContact O-N 3.27Å; A398-Y401 PolarHBondContact O-N 2.87Å; A398-L402 VanDerWaalsContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CB 3.28Å; A398-L402 PolarHBondContact O-N 2.81Å
399	F	92.1	Very high	88.4	Confident	173 Å²	173	74.6 Å²	74.6	76%	0.759	37%	0.373	S	S	*	.	H	α-helix	trans	-60	-40.7	178.7	179.2	-97.6	0	0	0	112.8	R395 A396 A397	R395-F399 WeakPolarHBondContact O-CB 3.43Å; R395-F399 PolarHBondContact O-N 3.26Å; A396-F399 PolarHBondContact O-N 2.96Å; A397-F399 VanDerWaalsContact C-N 3.31Å; A397-F399 PolarHBondContact O-N 2.79Å
400	H	92.3	Very high	88.8	Confident	66 Å²	66	74.8 Å²	74.8	31%	0.306	38%	0.379	S	S	.	.	H	α-helix	trans	-66	-38.1	-179.6	-173.2	78.6	0	0	0	113.1	A396 A397 A398 T546	A396-H400 WeakPolarHBondContact O-CB 3.39Å; A396-H400 PolarHBondContact O-N 3.44Å; A397-H400 PolarHBondContact O-N 2.89Å; A397-H400 VanDerWaalsContact O-N 3.09Å; A398-H400 VanDerWaalsContact C-N 3.33Å; A398-H400 PolarHBondContact O-N 3.27Å; H400-T546 WeakPolarHBondContact NE2-CB 3.24Å; H400-T546 WeakPolarHBondContact NE2-CG2 3.24Å; H400-T546 PolarHBondContact NE2-OG1 3.32Å
401	Y	94.4	Very high	89.1	Confident	6 Å²	6	75.6 Å²	75.6	2%	0.024	38%	0.376	C	S	.	.	H	α-helix	trans	-96.4	-13.6	-176.4	-71	-78.4	0	0	0	114.4	A397 A398 Y412 A416 R419 M420 D423 T546 W550	A397-Y401 VanDerWaalsContact O-CD2 3.27Å; A397-Y401 WeakPolarHBondContact O-CD2 3.45Å; A397-Y401 PolarHBondContact O-N 3.19Å; A397-Y401 VanDerWaalsContact O-N 3.08Å; A398-Y401 PolarHBondContact O-N 2.87Å; Y401-Y412 WeakPolarHBondContact O-CE1 3.26Å; Y401-Y412 PolarHBondContact O-OH 3.14Å; Y401-A416 WeakPolarHBondContact O-CB 3.41Å; Y401-R419 HydrophobicContact CD1-CB 4.25Å; Y401-R419 HydrophobicContact CE1-CB 3.97Å; Y401-M420 HydrophobicContact CD1-CB 4.08Å; Y401-M420 HydrophobicContact CD2-CB 3.72Å; Y401-M420 HydrophobicContact CD2-CG 3.72Å; Y401-M420 HydrophobicContact CD2-SD 4.32Å; Y401-M420 HydrophobicContact CE1-CB 4.08Å; Y401-M420 HydrophobicContact CE2-CB 3.75Å; Y401-M420 HydrophobicContact CE2-CG 3.66Å; Y401-M420 HydrophobicContact CG-CB 3.91Å; Y401-M420 HydrophobicContact CG-CG 4.4Å; Y401-M420 VanDerWaalsContact CZ-CA 3.46Å; Y401-D423 WeakPolarHBondContact CE1-OD2 3.41Å; Y401-D423 WeakPolarHBondContact OH-CB 3.38Å; Y401-D423 VanDerWaalsContact OH-CG 3.26Å; Y401-D423 PolarHBondContact OH-OD2 2.91Å; Y401-T546 HydrophobicContact CE1-CG2 4.47Å; Y401-T546 WeakPolarHBondContact OH-CG2 3.33Å; Y401-W550 AromaticContact CE2-CZ2 3.82Å; Y401-W550 HydrophobicContact CE2-CZ2 3.82Å; Y401-W550 AromaticContact CE2-NE1 3.86Å; Y401-W550 AromaticContact CZ-NE1 3.91Å; Y401-W550 PolarHBondContact OH-NE1 2.96Å
402	L	91.7	Very high	89.2	Confident	26 Å²	26	75.4 Å²	75.4	14%	0.136	37%	0.369	C	S	.	.	S	Bend	trans	-59.3	156.4	176.6	-159.6	73.6	0	0	0	111.4	K375 F378 A398 Q404 Y412 Y413	K375-L402 HydrophobicContact CD-CD1 4.44Å; K375-L402 HydrophobicContact CG-CD1 4.23Å; F378-L402 HydrophobicContact CD1-CD1 3.9Å; F378-L402 HydrophobicContact CE1-CD1 3.76Å; A398-L402 VanDerWaalsContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CB 3.28Å; A398-L402 PolarHBondContact O-N 2.81Å; L402-Q404 PolarHBondContact O-N 2.96Å; L402-Q404 VanDerWaalsContact O-N 3.14Å; L402-Y412 PolarHBondContact O-OH 2.62Å; L402-Y413 HydrophobicContact CD1-CE1 3.89Å
403	D	80.5	Confident	89.5	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.048	34%	0.338	C	S	.	.			trans	-62.4	117.7	168.4	179.6	11.6	0	0	0	109.2	Q405 C406 R407 Y412 Y413	D403-Q405 PolarHBondContact O-N 3.24Å; D403-Q405 PolarHBondContact OD1-N 2.83Å; D403-C406 WeakPolarHBondContact O-CA 3.49Å; D403-C406 PolarHBondContact O-N 3.04Å; D403-R407 WeakPolarHBondContact OD2-CA 3.21Å; D403-R407 WeakPolarHBondContact OD2-CB 3.4Å; D403-R407 PolarHBondContact OD2-N 2.87Å; D403-R407 IonicContact OD2-NE 3.75Å; D403-Y412 VanDerWaalsContact CA-CE1 3.45Å; D403-Y412 HydrophobicContact CB-CD1 3.9Å; D403-Y412 HydrophobicContact CB-CE1 3.8Å; D403-Y412 VanDerWaalsContact N-CE1 3.26Å; D403-Y413 HydrophobicContact CB-CE1 4.48Å
404	Q	79.2	Confident	89.9	Confident	180 Å²	180	69.8 Å²	69.8	84%	0.841	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.2	177.8	-65.2	-175.9	-13.2	0	0	112.5	L402 C406	L402-Q404 PolarHBondContact O-N 2.96Å; L402-Q404 VanDerWaalsContact O-N 3.14Å; Q404-C406 VanDerWaalsContact C-N 3.31Å
405	Q	82.9	Confident	90.1	Very high	127 Å²	127	70.2 Å²	70.2	59%	0.593	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.3	175.2	-58.1	-169.1	14.7	0	0	112.6	D403 R407	D403-Q405 PolarHBondContact O-N 3.24Å; D403-Q405 PolarHBondContact OD1-N 2.83Å; Q405-R407 HydrophobicContact CB-CG 3.93Å; Q405-R407 VanDerWaalsContact CD-NH2 3.34Å; Q405-R407 PolarHBondContact O-N 3.49Å
406	C	74.6	Confident	90.3	Very high	88 Å²	88	62.1 Å²	62.1	60%	0.595	31%	0.307	S	S	*	.			trans	49.8	29.7	-177.6	-69.7	0	0	0	0	113.7	D403 Q404	D403-C406 WeakPolarHBondContact O-CA 3.49Å; D403-C406 PolarHBondContact O-N 3.04Å; Q404-C406 VanDerWaalsContact C-N 3.31Å
407	R	82	Confident	90.6	Very high	122 Å²	122	60 Å²	60	46%	0.46	29%	0.29	S	S	.	.			trans	-79.5	148.1	175.5	-59.8	-179.7	-70.6	-173.8	-5.5	108.8	D403 Q405 Q409 Y413	D403-R407 WeakPolarHBondContact OD2-CA 3.21Å; D403-R407 WeakPolarHBondContact OD2-CB 3.4Å; D403-R407 PolarHBondContact OD2-N 2.87Å; D403-R407 IonicContact OD2-NE 3.75Å; Q405-R407 HydrophobicContact CB-CG 3.93Å; Q405-R407 VanDerWaalsContact CD-NH2 3.34Å; Q405-R407 PolarHBondContact O-N 3.49Å; R407-Q409 HydrophobicContact CB-CG 4.09Å; R407-Q409 VanDerWaalsContact CZ-NE2 3.27Å; R407-Q409 VanDerWaalsContact NE-NE2 3.19Å; R407-Q409 PolarHBondContact O-N 3.33Å; R407-Y413 PolarHBondContact O-OH 3.03Å
408	N	85	Confident	90.8	Very high	124 Å²	124	60 Å²	60	66%	0.663	29%	0.289	S	S	*	.			trans	-80.2	88.2	175.1	-168.2	29.8	0	0	0	109.1
409	Q	91.6	Very high	91	Very high	60 Å²	60	64 Å²	64	28%	0.28	30%	0.303	S	S	.	.			trans	-116.2	96.6	-179	-68.5	-170.3	9.3	0	0	110.7	R407 E411 Y412 Y413	R407-Q409 HydrophobicContact CB-CG 4.09Å; R407-Q409 VanDerWaalsContact CZ-NE2 3.27Å; R407-Q409 VanDerWaalsContact NE-NE2 3.19Å; R407-Q409 PolarHBondContact O-N 3.33Å; Q409-E411 VanDerWaalsContact C-N 3.33Å; Q409-E411 PolarHBondContact O-N 3.12Å; Q409-Y412 WeakPolarHBondContact O-CB 3.22Å; Q409-Y412 PolarHBondContact O-N 3.35Å; Q409-Y412 VanDerWaalsContact O-N 3.17Å; Q409-Y413 WeakPolarHBondContact O-CD2 3.26Å; Q409-Y413 PolarHBondContact O-N 3.23Å; Q409-Y413 VanDerWaalsContact O-N 3.16Å
410	P	95.1	Very high	91.3	Very high	39 Å²	39	55.8 Å²	55.8	25%	0.253	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-35	-173	-25.2	35.3	0	0	0	115.5	L372 L373 R414	L372-P410 HydrophobicContact CB-CB 3.76Å; L372-P410 HydrophobicContact CD1-CB 4.46Å; L372-P410 HydrophobicContact CD2-CB 4.35Å; L372-P410 HydrophobicContact CG-CB 4.41Å; L373-P410 PolarHBondContact N-O 3.37Å; L373-P410 WeakPolarHBondContact O-CA 3.5Å; P410-R414 PolarHBondContact O-N 2.8Å
411	E	95.5	Very high	91.5	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-43.3	175.1	-62.2	81.9	172.6	0	0	111.3	L372 Q409 Y413 R414 D415	L372-E411 HydrophobicContact CD2-CB 4.49Å; L372-E411 HydrophobicContact CD2-CG 3.7Å; Q409-E411 VanDerWaalsContact C-N 3.33Å; Q409-E411 PolarHBondContact O-N 3.12Å; E411-Y413 VanDerWaalsContact C-N 3.29Å; E411-Y413 PolarHBondContact O-N 3.29Å; E411-R414 WeakPolarHBondContact O-CB 3.35Å; E411-R414 PolarHBondContact O-N 2.8Å; E411-D415 WeakPolarHBondContact O-CB 3.49Å; E411-D415 VanDerWaalsContact O-CG 3.23Å; E411-D415 PolarHBondContact O-N 2.9Å
412	Y	95.4	Very high	91.7	Very high	56 Å²	56	52.5 Å²	52.5	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-42.8	178.6	178.7	-85	0	0	0	110.9	Y401 L402 D403 Q409 D415 A416 R419	Y401-Y412 WeakPolarHBondContact O-CE1 3.26Å; Y401-Y412 PolarHBondContact O-OH 3.14Å; L402-Y412 PolarHBondContact O-OH 2.62Å; D403-Y412 VanDerWaalsContact CA-CE1 3.45Å; D403-Y412 HydrophobicContact CB-CD1 3.9Å; D403-Y412 HydrophobicContact CB-CE1 3.8Å; D403-Y412 VanDerWaalsContact N-CE1 3.26Å; Q409-Y412 WeakPolarHBondContact O-CB 3.22Å; Q409-Y412 PolarHBondContact O-N 3.35Å; Q409-Y412 VanDerWaalsContact O-N 3.17Å; Y412-D415 PolarHBondContact O-N 3.19Å; Y412-A416 HydrophobicContact CD1-CB 4.43Å; Y412-A416 HydrophobicContact CE1-CB 4.13Å; Y412-A416 WeakPolarHBondContact O-CB 3.46Å; Y412-A416 PolarHBondContact O-N 3.49Å; Y412-R419 PolarHBondContact OH-NH2 2.93Å
413	Y	96.4	Very high	92	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-44.1	179	-70.3	-52.7	0	0	0	112.3	L373 K375 F378 L402 D403 R407 Q409 E411 D415 A416 V417	L373-Y413 WeakPolarHBondContact O-CD2 3.25Å; K375-Y413 HydrophobicContact CB-CE1 4.4Å; K375-Y413 HydrophobicContact CB-CE2 4.18Å; K375-Y413 HydrophobicContact CG-CE1 4.46Å; F378-Y413 HydrophobicContact CB-CD1 3.99Å; F378-Y413 HydrophobicContact CB-CG 4.24Å; F378-Y413 HydrophobicContact CD1-CD1 4.5Å; F378-Y413 HydrophobicContact CD2-CD1 4.26Å; F378-Y413 AromaticContact CG-CD1 4Å; F378-Y413 HydrophobicContact CG-CD1 4Å; L402-Y413 HydrophobicContact CD1-CE1 3.89Å; D403-Y413 HydrophobicContact CB-CE1 4.48Å; R407-Y413 PolarHBondContact O-OH 3.03Å; Q409-Y413 WeakPolarHBondContact O-CD2 3.26Å; Q409-Y413 PolarHBondContact O-N 3.23Å; Q409-Y413 VanDerWaalsContact O-N 3.16Å; E411-Y413 VanDerWaalsContact C-N 3.29Å; E411-Y413 PolarHBondContact O-N 3.29Å; Y413-D415 PolarHBondContact O-N 2.9Å; Y413-A416 PolarHBondContact O-N 3.01Å; Y413-V417 WeakPolarHBondContact O-CG2 3.24Å; Y413-V417 PolarHBondContact O-N 3.16Å; Y413-V417 VanDerWaalsContact O-N 3.13Å
414	R	96.4	Very high	92.7	Very high	20 Å²	20	51.1 Å²	51.1	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-51.1	172.1	179	-161.6	66.7	-147	-10.5	111.2	F365 D370 S371 L373 P410 E411 A416 V417 N418 W462	F365-R414 HydrophobicContact CD1-CG 4.45Å; F365-R414 HydrophobicContact CE1-CG 3.63Å; F365-R414 HydrophobicContact CZ-CG 4.37Å; D370-R414 WeakPolarHBondContact O-CD 3.43Å; D370-R414 PolarHBondContact O-NH1 3.4Å; D370-R414 VanDerWaalsContact O-NH1 3.14Å; S371-R414 WeakPolarHBondContact O-CG 3.31Å; L373-R414 HydrophobicContact CD1-CB 4.5Å; L373-R414 HydrophobicContact CG-CB 4.16Å; P410-R414 PolarHBondContact O-N 2.8Å; E411-R414 WeakPolarHBondContact O-CB 3.35Å; E411-R414 PolarHBondContact O-N 2.8Å; R414-A416 VanDerWaalsContact C-N 3.3Å; R414-A416 PolarHBondContact O-N 3.04Å; R414-V417 PolarHBondContact O-N 3.39Å; R414-N418 PolarHBondContact O-N 2.9Å; R414-N418 PolarHBondContact O-ND2 3.24Å; R414-W462 HydrophobicContact CG-CE3 4.27Å; R414-W462 HydrophobicContact CG-CZ3 4.38Å
415	D	97.1	Very high	93.5	Very high	55 Å²	55	43 Å²	43	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-71.9	-26.4	-176.4	-61.7	-16.7	0	0	0	112	E411 Y412 Y413 R419	E411-D415 WeakPolarHBondContact O-CB 3.49Å; E411-D415 VanDerWaalsContact O-CG 3.23Å; E411-D415 PolarHBondContact O-N 2.9Å; Y412-D415 PolarHBondContact O-N 3.19Å; Y413-D415 PolarHBondContact O-N 2.9Å; D415-R419 WeakPolarHBondContact O-CB 3.2Å; D415-R419 VanDerWaalsContact O-CG 3.28Å; D415-R419 WeakPolarHBondContact O-CG 3.24Å; D415-R419 PolarHBondContact O-N 3.02Å; D415-R419 PolarHBondContact O-NE 3.48Å
416	A	96.5	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-40.7	172.2	0	0	0	0	0	112.1	F378 Y401 Y412 Y413 R414 R419 M420	F378-A416 HydrophobicContact CD2-CB 4.2Å; F378-A416 HydrophobicContact CE2-CB 3.73Å; Y401-A416 WeakPolarHBondContact O-CB 3.41Å; Y412-A416 HydrophobicContact CD1-CB 4.43Å; Y412-A416 HydrophobicContact CE1-CB 4.13Å; Y412-A416 WeakPolarHBondContact O-CB 3.46Å; Y412-A416 PolarHBondContact O-N 3.49Å; Y413-A416 PolarHBondContact O-N 3.01Å; R414-A416 VanDerWaalsContact C-N 3.3Å; R414-A416 PolarHBondContact O-N 3.04Å; A416-R419 PolarHBondContact O-N 2.89Å; A416-M420 WeakPolarHBondContact O-CB 3.41Å; A416-M420 PolarHBondContact O-N 3.01Å
417	V	97.7	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-46.8	172.9	175.1	0	0	0	0	110.6	T357 L361 F365 L373 F378 C381 Y413 R414 R419 M420 I421	T357-V417 HydrophobicContact CG2-CG1 3.95Å; L361-V417 HydrophobicContact CD1-CG1 3.71Å; F365-V417 HydrophobicContact CE2-CG1 3.99Å; F365-V417 HydrophobicContact CZ-CB 3.97Å; F365-V417 HydrophobicContact CZ-CG1 3.83Å; L373-V417 HydrophobicContact CD1-CB 4.5Å; L373-V417 HydrophobicContact CD1-CG2 3.75Å; F378-V417 HydrophobicContact CD2-CG2 3.66Å; F378-V417 HydrophobicContact CE2-CG2 4.19Å; C381-V417 HydrophobicContact CB-CG1 3.98Å; C381-V417 HydrophobicContact CB-CG2 3.71Å; Y413-V417 WeakPolarHBondContact O-CG2 3.24Å; Y413-V417 PolarHBondContact O-N 3.16Å; Y413-V417 VanDerWaalsContact O-N 3.13Å; R414-V417 PolarHBondContact O-N 3.39Å; V417-R419 VanDerWaalsContact C-N 3.33Å; V417-R419 PolarHBondContact O-N 2.73Å; V417-M420 PolarHBondContact O-N 3.12Å; V417-I421 HydrophobicContact CG1-CD1 3.67Å; V417-I421 PolarHBondContact O-N 3.29Å
418	N	97.5	Very high	96.1	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-44.8	176.9	-67.7	-27.3	0	0	0	112	G353 T357 R414 G422	G353-N418 WeakPolarHBondContact CA-O 3.46Å; T357-N418 WeakPolarHBondContact CG2-OD1 3.39Å; T357-N418 PolarHBondContact OG1-OD1 2.58Å; R414-N418 PolarHBondContact O-N 2.9Å; R414-N418 PolarHBondContact O-ND2 3.24Å; N418-G422 PolarHBondContact O-N 3.15Å
419	R	97.3	Very high	96.7	Very high	89 Å²	89	21.1 Å²	21.1	34%	0.336	10%	0.097	S	C	.	.	H	α-helix	trans	-63.1	-46.8	175.6	-75.2	-179.7	-66.9	156.1	0.8	111.2	Y401 Y412 D415 A416 V417 I421 G422 D423	Y401-R419 HydrophobicContact CD1-CB 4.25Å; Y401-R419 HydrophobicContact CE1-CB 3.97Å; Y412-R419 PolarHBondContact OH-NH2 2.93Å; D415-R419 WeakPolarHBondContact O-CB 3.2Å; D415-R419 VanDerWaalsContact O-CG 3.28Å; D415-R419 WeakPolarHBondContact O-CG 3.24Å; D415-R419 PolarHBondContact O-N 3.02Å; D415-R419 PolarHBondContact O-NE 3.48Å; A416-R419 PolarHBondContact O-N 2.89Å; V417-R419 VanDerWaalsContact C-N 3.33Å; V417-R419 PolarHBondContact O-N 2.73Å; R419-I421 PolarHBondContact O-N 3.08Å; R419-G422 PolarHBondContact O-N 3.28Å; R419-D423 WeakPolarHBondContact O-CB 3.33Å; R419-D423 PolarHBondContact O-N 3.1Å
420	M	97.4	Very high	97.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-57.3	-49.7	179.9	-178.7	-173.5	66.9	0	0	112.5	V382 S385 L386 A397 Y401 A416 V417 D423 Y424 W550	V382-M420 HydrophobicContact CB-SD 4.47Å; V382-M420 HydrophobicContact CG1-SD 4.28Å; V382-M420 HydrophobicContact CG2-CE 4.06Å; V382-M420 HydrophobicContact CG2-SD 3.84Å; S385-M420 WeakPolarHBondContact OG-CE 3.44Å; L386-M420 HydrophobicContact CD1-SD 4.14Å; A397-M420 HydrophobicContact CB-SD 4.39Å; Y401-M420 HydrophobicContact CD1-CB 4.08Å; Y401-M420 HydrophobicContact CD2-CB 3.72Å; Y401-M420 HydrophobicContact CD2-CG 3.72Å; Y401-M420 HydrophobicContact CD2-SD 4.32Å; Y401-M420 HydrophobicContact CE1-CB 4.08Å; Y401-M420 HydrophobicContact CE2-CB 3.75Å; Y401-M420 HydrophobicContact CE2-CG 3.66Å; Y401-M420 HydrophobicContact CG-CB 3.91Å; Y401-M420 HydrophobicContact CG-CG 4.4Å; Y401-M420 VanDerWaalsContact CZ-CA 3.46Å; A416-M420 WeakPolarHBondContact O-CB 3.41Å; A416-M420 PolarHBondContact O-N 3.01Å; V417-M420 PolarHBondContact O-N 3.12Å; M420-D423 PolarHBondContact O-N 3.27Å; M420-Y424 WeakPolarHBondContact O-CB 3.39Å; M420-Y424 PolarHBondContact O-N 3.09Å; M420-W550 HydrophobicContact CG-CZ2 4.03Å
421	I	97.7	Very high	97.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-64.2	-47.5	178.9	-68.8	162.2	0	0	0	110.1	F309 L310 W356 T357 L361 V417 R419 D423 Y424 F425	F309-I421 HydrophobicContact CE1-CD1 4.21Å; F309-I421 HydrophobicContact CE1-CG1 4.08Å; F309-I421 HydrophobicContact CE1-CG2 4.18Å; F309-I421 HydrophobicContact CZ-CD1 3.67Å; F309-I421 HydrophobicContact CZ-CG1 4.05Å; L310-I421 HydrophobicContact CD1-CG2 4.23Å; W356-I421 HydrophobicContact CB-CG2 4.18Å; T357-I421 HydrophobicContact CG2-CD1 3.42Å; T357-I421 VanDerWaalsContact CG2-CD1 3.42Å; L361-I421 HydrophobicContact CD1-CD1 3.98Å; V417-I421 HydrophobicContact CG1-CD1 3.67Å; V417-I421 PolarHBondContact O-N 3.29Å; R419-I421 PolarHBondContact O-N 3.08Å; I421-D423 VanDerWaalsContact C-N 3.31Å; I421-D423 PolarHBondContact O-N 3.4Å; I421-Y424 PolarHBondContact O-N 3.35Å; I421-F425 HydrophobicContact CB-CD2 4.46Å; I421-F425 HydrophobicContact CG2-CD2 3.93Å; I421-F425 WeakPolarHBondContact O-CB 3.24Å; I421-F425 WeakPolarHBondContact O-CD2 3.33Å; I421-F425 PolarHBondContact O-N 2.88Å
422	G	98	Very high	97.3	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-63	-36.2	-179.9	0	0	0	0	0	113.9	N418 R419 F426 T427	N418-G422 PolarHBondContact O-N 3.15Å; R419-G422 PolarHBondContact O-N 3.28Å; G422-F426 WeakPolarHBondContact O-CB 3.44Å; G422-F426 PolarHBondContact O-N 2.98Å; G422-T427 PolarHBondContact O-N 3.2Å; G422-T427 PolarHBondContact O-OG1 3.14Å
423	D	97.4	Very high	97.3	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.027	5%	0.046	C	C	.	.	I	π-helix	trans	-70.7	-49.8	179.9	-68.8	-9.3	0	0	0	111	Y401 R419 M420 I421 T427 C428 K543 T546	Y401-D423 WeakPolarHBondContact CE1-OD2 3.41Å; Y401-D423 WeakPolarHBondContact OH-CB 3.38Å; Y401-D423 VanDerWaalsContact OH-CG 3.26Å; Y401-D423 PolarHBondContact OH-OD2 2.91Å; R419-D423 WeakPolarHBondContact O-CB 3.33Å; R419-D423 PolarHBondContact O-N 3.1Å; M420-D423 PolarHBondContact O-N 3.27Å; I421-D423 VanDerWaalsContact C-N 3.31Å; I421-D423 PolarHBondContact O-N 3.4Å; D423-T427 PolarHBondContact O-N 2.88Å; D423-C428 VanDerWaalsContact O-CB 3.32Å; D423-C428 WeakPolarHBondContact O-CB 3.34Å; D423-C428 PolarHBondContact O-N 3.27Å; D423-C428 PolarHBondContact O-SG 3.13Å; D423-C428 VanDerWaalsContact O-SG 3.34Å; D423-K543 WeakPolarHBondContact OD1-CD 3.39Å; D423-K543 VanDerWaalsContact OD1-CE 3.25Å; D423-K543 WeakPolarHBondContact OD1-CE 3.36Å; D423-K543 IonicContact OD1-NZ 3.91Å; D423-K543 PolarHBondContact OD1-NZ 2.86Å; D423-T546 HydrophobicContact CB-CG2 4.14Å; D423-T546 WeakPolarHBondContact OD2-CG2 3.36Å
424	Y	95.6	Very high	97.3	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.046	C	C	.	.	I	π-helix	trans	-72.4	-49.5	-175.2	-178.6	-116	0	0	0	112.4	P256 L386 Y389 M420 I421 W550 R554	P256-Y424 HydrophobicContact CG-CE1 3.83Å; P256-Y424 WeakPolarHBondContact CG-OH 3.49Å; L386-Y424 HydrophobicContact CD2-CD1 4.13Å; L386-Y424 HydrophobicContact CD2-CE1 4.42Å; Y389-Y424 HydrophobicContact CE2-CE1 4.04Å; Y389-Y424 AromaticContact CE2-CZ 3.99Å; Y389-Y424 AromaticContact CZ-CZ 3.89Å; Y389-Y424 PolarHBondContact OH-OH 3.08Å; M420-Y424 WeakPolarHBondContact O-CB 3.39Å; M420-Y424 PolarHBondContact O-N 3.09Å; I421-Y424 PolarHBondContact O-N 3.35Å; Y424-W550 HydrophobicContact CD2-CB 4.18Å; Y424-W550 AromaticContact CD2-CD2 3.48Å; Y424-W550 HydrophobicContact CD2-CD2 3.48Å; Y424-W550 VanDerWaalsContact CD2-CD2 3.48Å; Y424-W550 AromaticContact CD2-CE3 3.22Å; Y424-W550 HydrophobicContact CD2-CE3 3.22Å; Y424-W550 AromaticContact CD2-CG 3.92Å; Y424-W550 HydrophobicContact CD2-CG 3.92Å; Y424-W550 HydrophobicContact CD2-CH2 4.36Å; Y424-W550 AromaticContact CD2-CZ3 3.72Å; Y424-W550 HydrophobicContact CD2-CZ3 3.72Å; Y424-W550 HydrophobicContact CE2-CD2 4.36Å; Y424-W550 AromaticContact CE2-CE3 3.73Å; Y424-W550 HydrophobicContact CE2-CE3 3.73Å; Y424-W550 HydrophobicContact CE2-CZ3 4.18Å; Y424-W550 HydrophobicContact CG-CD2 4.14Å; Y424-W550 AromaticContact CG-CE3 4Å; Y424-W550 HydrophobicContact CG-CE3 4Å; Y424-W550 HydrophobicContact CG-CH2 4.37Å; Y424-W550 HydrophobicContact CG-CZ3 4.13Å; Y424-R554 HydrophobicContact CE2-CG 4.39Å; Y424-R554 WeakPolarHBondContact OH-CD 3.41Å
425	F	96.8	Very high	97.3	Very high	11 Å²	11	11.6 Å²	11.6	5%	0.048	5%	0.051	C	C	.	.	I	π-helix	trans	-84.3	-13.4	-172.4	-70.2	-80.3	0	0	0	113.9	N255 P256 W257 F309 L310 I421	N255-F425 PolarHBondContact ND2-O 3.18Å; P256-F425 HydrophobicContact CB-CD1 4.48Å; P256-F425 HydrophobicContact CB-CE1 4.47Å; P256-F425 HydrophobicContact CG-CD1 4.36Å; W257-F425 PolarHBondContact NE1-O 3.2Å; F309-F425 HydrophobicContact CD1-CE1 4.47Å; F309-F425 AromaticContact CD1-CE2 3.57Å; F309-F425 HydrophobicContact CD1-CE2 3.57Å; F309-F425 AromaticContact CD1-CZ 3.54Å; F309-F425 HydrophobicContact CD1-CZ 3.54Å; F309-F425 HydrophobicContact CE1-CD2 4.31Å; F309-F425 AromaticContact CE1-CE2 3.66Å; F309-F425 HydrophobicContact CE1-CE2 3.66Å; F309-F425 HydrophobicContact CE1-CZ 4.11Å; L310-F425 HydrophobicContact CB-CD1 4.08Å; L310-F425 HydrophobicContact CB-CE1 3.91Å; L310-F425 HydrophobicContact CB-CG 4.47Å; L310-F425 HydrophobicContact CB-CZ 4.17Å; L310-F425 HydrophobicContact CD1-CB 4.05Å; L310-F425 HydrophobicContact CD1-CD1 4.21Å; L310-F425 HydrophobicContact CD1-CD2 4.08Å; L310-F425 HydrophobicContact CD1-CG 3.86Å; L310-F425 HydrophobicContact CD2-CD1 4.31Å; L310-F425 HydrophobicContact CG-CD1 4.44Å; I421-F425 HydrophobicContact CB-CD2 4.46Å; I421-F425 HydrophobicContact CG2-CD2 3.93Å; I421-F425 WeakPolarHBondContact O-CB 3.24Å; I421-F425 WeakPolarHBondContact O-CD2 3.33Å; I421-F425 PolarHBondContact O-N 2.88Å
426	F	98.2	Very high	97.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-136.9	-60.3	-174.7	-58.6	-81.2	0	0	0	113.1	S250 N255 W257 L310 E352 W356 G422 S430 H467	S250-F426 WeakPolarHBondContact O-CD1 3.47Å; N255-F426 VanDerWaalsContact ND2-CA 3.34Å; N255-F426 WeakPolarHBondContact ND2-CA 3.5Å; N255-F426 PolarHBondContact ND2-O 3.19Å; W257-F426 AromaticContact CE2-CE1 3.65Å; W257-F426 AromaticContact CZ2-CD1 3.92Å; W257-F426 HydrophobicContact CZ2-CD1 3.92Å; W257-F426 AromaticContact CZ2-CE1 3.69Å; W257-F426 HydrophobicContact CZ2-CE1 3.69Å; W257-F426 AromaticContact NE1-CD1 3.81Å; W257-F426 AromaticContact NE1-CE1 3.34Å; W257-F426 VanDerWaalsContact NE1-CE1 3.34Å; W257-F426 AromaticContact NE1-CZ 3.66Å; L310-F426 HydrophobicContact CD1-CE2 3.95Å; L310-F426 HydrophobicContact CD1-CZ 4.18Å; L310-F426 HydrophobicContact CD2-CZ 4.25Å; E352-F426 HydrophobicContact CB-CB 4.09Å; E352-F426 HydrophobicContact CB-CD2 4.1Å; E352-F426 HydrophobicContact CB-CG 4.28Å; E352-F426 HydrophobicContact CG-CB 3.96Å; W356-F426 AromaticContact CD1-CE2 3.47Å; W356-F426 VanDerWaalsContact CD1-CE2 3.47Å; W356-F426 AromaticContact CD1-CZ 3.89Å; W356-F426 HydrophobicContact CD2-CZ 4.33Å; W356-F426 AromaticContact CE2-CE2 3.85Å; W356-F426 AromaticContact CE2-CZ 3.38Å; W356-F426 HydrophobicContact CG-CE2 4.34Å; W356-F426 HydrophobicContact CZ2-CE1 4.19Å; W356-F426 HydrophobicContact CZ2-CE2 4.48Å; W356-F426 AromaticContact CZ2-CZ 3.6Å; W356-F426 HydrophobicContact CZ2-CZ 3.6Å; W356-F426 AromaticContact NE1-CE2 3.11Å; W356-F426 AromaticContact NE1-CZ 3.09Å; G422-F426 WeakPolarHBondContact O-CB 3.44Å; G422-F426 PolarHBondContact O-N 2.98Å; F426-S430 WeakPolarHBondContact O-CB 3.35Å; F426-S430 PolarHBondContact O-N 3.41Å; F426-S430 PolarHBondContact O-OG 2.78Å; F426-H467 AromaticContact CD1-CE1 3.38Å; F426-H467 WeakPolarHBondContact CD1-CE1 3.46Å; F426-H467 AromaticContact CD1-ND1 3.84Å; F426-H467 AromaticContact CE1-CE1 3.26Å; F426-H467 WeakPolarHBondContact CE1-CE1 3.48Å; F426-H467 AromaticContact CE1-ND1 3.9Å; F426-H467 AromaticContact CE1-NE2 3.58Å
427	T	98.2	Very high	97.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-66.9	-51.5	-163.6	-53.3	0	0	0	0	113	L348 G422 D423 D429 S430 L431 K543	L348-T427 HydrophobicContact CD1-CG2 3.7Å; L348-T427 HydrophobicContact CD2-CG2 3.84Å; L348-T427 HydrophobicContact CG-CG2 4.33Å; G422-T427 PolarHBondContact O-N 3.2Å; G422-T427 PolarHBondContact O-OG1 3.14Å; D423-T427 PolarHBondContact O-N 2.88Å; T427-D429 PolarHBondContact O-N 3.26Å; T427-S430 PolarHBondContact O-N 3.32Å; T427-L431 HydrophobicContact CG2-CD1 3.93Å; T427-L431 HydrophobicContact CG2-CG 4.45Å; T427-L431 WeakPolarHBondContact O-CG 3.42Å; T427-L431 PolarHBondContact O-N 3.32Å; T427-K543 HydrophobicContact CG2-CD 3.89Å; T427-K543 PolarHBondContact OG1-NZ 2.94Å
428	C	98	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.4	-33.9	-167.1	-69.9	0	0	0	0	113.5	D423 W432 C547 W550	D423-C428 VanDerWaalsContact O-CB 3.32Å; D423-C428 WeakPolarHBondContact O-CB 3.34Å; D423-C428 PolarHBondContact O-N 3.27Å; D423-C428 PolarHBondContact O-SG 3.13Å; D423-C428 VanDerWaalsContact O-SG 3.34Å; C428-W432 VanDerWaalsContact O-CB 3.29Å; C428-W432 WeakPolarHBondContact O-CB 3.4Å; C428-W432 PolarHBondContact O-N 3.19Å; C428-C547 WeakPolarHBondContact CA-SG 3.44Å; C428-C547 HydrophobicContact CB-CB 3.58Å; C428-C547 WeakPolarHBondContact CB-SG 2.99Å; C428-C547 WeakPolarHBondContact SG-CA 3.45Å; C428-C547 WeakPolarHBondContact SG-CB 3.41Å; C428-C547 CovalentContact SG-SG 2.05Å; C428-C547 PolarHBondContact SG-SG 3.12Å; C428-W550 HydrophobicContact CB-CB 4.33Å
429	D	97.9	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-76	-34.1	178.8	-65.8	-12.3	0	0	0	111.5	D254 N255 T427 W432 F433 R551 R554	D254-D429 HydrophobicContact CB-CB 4.42Å; N255-D429 WeakPolarHBondContact CA-OD2 3.43Å; T427-D429 PolarHBondContact O-N 3.26Å; D429-W432 PolarHBondContact O-N 3.35Å; D429-F433 WeakPolarHBondContact O-CB 3.22Å; D429-F433 PolarHBondContact O-N 3.46Å; D429-R551 WeakPolarHBondContact OD1-CD 3.39Å; D429-R551 IonicContact OD1-CZ 3.04Å; D429-R551 IonicContact OD1-NE 2.86Å; D429-R551 IonicContact OD1-NH1 2.71Å; D429-R551 PolarHBondContact OD1-NH1 3.15Å; D429-R551 IonicContact OD2-NH1 3.39Å; D429-R554 IonicContact OD2-NE 3.52Å
430	S	98.1	Very high	95.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-47	172.7	-56.5	0	0	0	0	111.7	F426 T427 F433 A434	F426-S430 WeakPolarHBondContact O-CB 3.35Å; F426-S430 PolarHBondContact O-N 3.41Å; F426-S430 PolarHBondContact O-OG 2.78Å; T427-S430 PolarHBondContact O-N 3.32Å; S430-F433 PolarHBondContact O-N 2.92Å; S430-A434 PolarHBondContact O-N 3.46Å; S430-A434 VanDerWaalsContact O-N 3.13Å
431	L	97.9	Very high	94.9	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-41.2	175.5	-71.6	176.4	0	0	0	112.1	L348 T427 F433 A434 E435 V447 I542	L348-L431 HydrophobicContact CD1-CD1 4.18Å; L348-L431 HydrophobicContact CD1-CD2 3.93Å; L348-L431 HydrophobicContact CD1-CG 4.02Å; T427-L431 HydrophobicContact CG2-CD1 3.93Å; T427-L431 HydrophobicContact CG2-CG 4.45Å; T427-L431 WeakPolarHBondContact O-CG 3.42Å; T427-L431 PolarHBondContact O-N 3.32Å; L431-F433 VanDerWaalsContact C-N 3.33Å; L431-F433 PolarHBondContact O-N 3.25Å; L431-A434 WeakPolarHBondContact O-CB 3.38Å; L431-A434 PolarHBondContact O-N 2.91Å; L431-E435 WeakPolarHBondContact O-CG 3.43Å; L431-E435 PolarHBondContact O-N 3.14Å; L431-V447 HydrophobicContact CD2-CG1 4Å; L431-I542 HydrophobicContact CD1-CD1 4.38Å; L431-I542 HydrophobicContact CD1-CG1 4.11Å; L431-I542 HydrophobicContact CD2-CD1 4.38Å
432	W	96.9	Very high	94	Very high	27 Å²	27	28.2 Å²	28.2	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-45.4	175.7	169.7	79.8	0	0	0	111.5	D254 L333 H334 C428 D429 A434 E435 Q436 R551	D254-W432 HydrophobicContact CB-CE3 4.2Å; D254-W432 HydrophobicContact CB-CZ3 3.79Å; L333-W432 HydrophobicContact CD1-CZ3 4.49Å; L333-W432 HydrophobicContact CD2-CZ3 4.35Å; L333-W432 HydrophobicContact CG-CH2 4.17Å; L333-W432 HydrophobicContact CG-CZ3 4.11Å; H334-W432 AromaticContact CE1-CH2 3.77Å; H334-W432 AromaticContact CE1-CZ2 3.85Å; H334-W432 AromaticContact ND1-CH2 3.94Å; H334-W432 AromaticContact ND1-CZ2 3.81Å; H334-W432 AromaticContact NE2-CH2 3.82Å; C428-W432 VanDerWaalsContact O-CB 3.29Å; C428-W432 WeakPolarHBondContact O-CB 3.4Å; C428-W432 PolarHBondContact O-N 3.19Å; D429-W432 PolarHBondContact O-N 3.35Å; W432-A434 VanDerWaalsContact C-N 3.34Å; W432-A434 PolarHBondContact O-N 3.19Å; W432-E435 WeakPolarHBondContact O-CB 3.41Å; W432-E435 PolarHBondContact O-N 2.59Å; W432-E435 VanDerWaalsContact O-N 3.1Å; W432-Q436 HydrophobicContact CD2-CG 3.8Å; W432-Q436 HydrophobicContact CE3-CG 4.32Å; W432-Q436 HydrophobicContact CG-CG 4.33Å; W432-Q436 HydrophobicContact CH2-CG 4.03Å; W432-Q436 HydrophobicContact CZ2-CG 3.45Å; W432-Q436 VanDerWaalsContact CZ2-CG 3.45Å; W432-Q436 HydrophobicContact CZ3-CG 4.41Å; W432-Q436 WeakPolarHBondContact O-CG 3.41Å; W432-Q436 PolarHBondContact O-N 3.05Å; W432-R551 HydrophobicContact CB-CG 4.08Å; W432-R551 VanDerWaalsContact CD1-NE 3.33Å; W432-R551 VanDerWaalsContact CD2-CZ 3.47Å; W432-R551 HydrophobicContact CG-CG 4.33Å
433	F	97.1	Very high	93.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-41.9	179.1	-179.9	-111.4	0	0	0	112.3	V231 M234 L248 L333 Y338 L344 D429 S430 L431 E435 Q436 L437	V231-F433 HydrophobicContact CB-CE1 4.47Å; V231-F433 HydrophobicContact CB-CZ 4.31Å; V231-F433 HydrophobicContact CG1-CD2 4.31Å; V231-F433 HydrophobicContact CG1-CE1 4.21Å; V231-F433 HydrophobicContact CG1-CE2 3.73Å; V231-F433 HydrophobicContact CG1-CZ 3.66Å; V231-F433 HydrophobicContact CG2-CD1 3.97Å; V231-F433 HydrophobicContact CG2-CE1 3.54Å; V231-F433 HydrophobicContact CG2-CZ 3.86Å; M234-F433 HydrophobicContact CE-CE1 4.23Å; M234-F433 HydrophobicContact CE-CZ 3.58Å; M234-F433 HydrophobicContact SD-CE1 4.1Å; M234-F433 HydrophobicContact SD-CZ 3.82Å; L248-F433 HydrophobicContact CD2-CD1 3.85Å; L248-F433 HydrophobicContact CD2-CE1 3.88Å; L333-F433 HydrophobicContact CD1-CD2 3.7Å; L333-F433 HydrophobicContact CD1-CE2 3.64Å; Y338-F433 HydrophobicContact CE1-CE2 4.32Å; Y338-F433 HydrophobicContact CE2-CE2 4.39Å; L344-F433 HydrophobicContact CD1-CD1 4.34Å; L344-F433 HydrophobicContact CD1-CE1 3.6Å; L344-F433 HydrophobicContact CD1-CZ 4.43Å; D429-F433 WeakPolarHBondContact O-CB 3.22Å; D429-F433 PolarHBondContact O-N 3.46Å; S430-F433 PolarHBondContact O-N 2.92Å; L431-F433 VanDerWaalsContact C-N 3.33Å; L431-F433 PolarHBondContact O-N 3.25Å; F433-E435 VanDerWaalsContact C-N 3.29Å; F433-E435 PolarHBondContact O-N 3.28Å; F433-Q436 PolarHBondContact O-N 2.9Å; F433-L437 PolarHBondContact O-N 3.05Å
434	A	96.5	Very high	93.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.9	-44.3	171.7	0	0	0	0	0	112	V346 S430 L431 W432 L438 V445	V346-A434 HydrophobicContact CB-CB 4.43Å; V346-A434 HydrophobicContact CG2-CB 4.02Å; S430-A434 PolarHBondContact O-N 3.46Å; S430-A434 VanDerWaalsContact O-N 3.13Å; L431-A434 WeakPolarHBondContact O-CB 3.38Å; L431-A434 PolarHBondContact O-N 2.91Å; W432-A434 VanDerWaalsContact C-N 3.34Å; W432-A434 PolarHBondContact O-N 3.19Å; A434-L438 WeakPolarHBondContact O-CG 3.35Å; A434-L438 PolarHBondContact O-N 3.16Å; A434-V445 HydrophobicContact CB-CG1 3.9Å
435	E	95.7	Very high	93.5	Very high	42 Å²	42	32.5 Å²	32.5	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-42.7	177.9	-68.3	-179.8	-178.9	0	0	112.3	L431 W432 F433 L437 L438 E439 Y521 L523 K526	L431-E435 WeakPolarHBondContact O-CG 3.43Å; L431-E435 PolarHBondContact O-N 3.14Å; W432-E435 WeakPolarHBondContact O-CB 3.41Å; W432-E435 PolarHBondContact O-N 2.59Å; W432-E435 VanDerWaalsContact O-N 3.1Å; F433-E435 VanDerWaalsContact C-N 3.29Å; F433-E435 PolarHBondContact O-N 3.28Å; E435-L437 VanDerWaalsContact C-N 3.35Å; E435-L437 PolarHBondContact O-N 2.84Å; E435-L438 PolarHBondContact O-N 2.76Å; E435-E439 PolarHBondContact O-N 3.36Å; E435-Y521 HydrophobicContact CG-CE1 4.03Å; E435-Y521 PolarHBondContact OE1-OH 2.93Å; E435-L523 HydrophobicContact CB-CD2 3.73Å; E435-L523 HydrophobicContact CG-CD2 3.87Å; E435-K526 WeakPolarHBondContact OE1-CD 3.37Å; E435-K526 WeakPolarHBondContact OE1-CE 3.46Å; E435-K526 IonicContact OE1-NZ 2.98Å; E435-K526 PolarHBondContact OE1-NZ 3.38Å; E435-K526 IonicContact OE2-NZ 3.41Å; E435-K526 PolarHBondContact OE2-NZ 2.92Å
436	Q	94.2	Very high	93.6	Very high	35 Å²	35	32.3 Å²	32.3	16%	0.164	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-41	177.5	-65.3	-54.7	-85.9	0	0	112.5	Y338 W432 F433 L438 E439	Y338-Q436 WeakPolarHBondContact OH-CB 3.4Å; W432-Q436 HydrophobicContact CD2-CG 3.8Å; W432-Q436 HydrophobicContact CE3-CG 4.32Å; W432-Q436 HydrophobicContact CG-CG 4.33Å; W432-Q436 HydrophobicContact CH2-CG 4.03Å; W432-Q436 HydrophobicContact CZ2-CG 3.45Å; W432-Q436 VanDerWaalsContact CZ2-CG 3.45Å; W432-Q436 HydrophobicContact CZ3-CG 4.41Å; W432-Q436 WeakPolarHBondContact O-CG 3.41Å; W432-Q436 PolarHBondContact O-N 3.05Å; F433-Q436 PolarHBondContact O-N 2.9Å; Q436-L438 VanDerWaalsContact C-N 3.28Å; Q436-L438 PolarHBondContact O-N 3.38Å; Q436-E439 PolarHBondContact NE2-OE1 3.31Å; Q436-E439 VanDerWaalsContact NE2-OE1 3.15Å; Q436-E439 PolarHBondContact O-N 3.17Å
437	L	94.9	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-35.9	177.1	-178.9	62.3	0	0	0	111.9	M234 Y338 V342 L344 F433 E435 E439 A440 A443 V445	M234-L437 HydrophobicContact CE-CD1 4.3Å; M234-L437 HydrophobicContact CE-CD2 4.45Å; Y338-L437 HydrophobicContact CD2-CD1 4.5Å; Y338-L437 HydrophobicContact CE2-CD1 3.95Å; V342-L437 HydrophobicContact CG1-CD1 4.49Å; V342-L437 HydrophobicContact CG1-CD2 4.29Å; L344-L437 HydrophobicContact CB-CD2 4.36Å; L344-L437 HydrophobicContact CD1-CD2 3.4Å; L344-L437 HydrophobicContact CG-CD2 3.68Å; F433-L437 PolarHBondContact O-N 3.05Å; E435-L437 VanDerWaalsContact C-N 3.35Å; E435-L437 PolarHBondContact O-N 2.84Å; L437-E439 VanDerWaalsContact C-N 3.35Å; L437-E439 PolarHBondContact O-N 2.74Å; L437-A440 WeakPolarHBondContact O-CB 3.48Å; L437-A440 PolarHBondContact O-N 3.48Å; L437-A443 HydrophobicContact CD1-CB 3.94Å; L437-A443 HydrophobicContact CD2-CB 3.71Å; L437-A443 HydrophobicContact CG-CB 3.59Å; L437-V445 HydrophobicContact CD2-CG2 3.95Å; L437-V445 HydrophobicContact CG-CG2 4.39Å
438	L	94.8	Very high	93.6	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.099	16%	0.156	C	C	.	.	H	α-helix	trans	-70.7	-26.7	178.6	-73	173.2	0	0	0	113.7	A434 E435 Q436 A440 R441 V445 Y521 L523	A434-L438 WeakPolarHBondContact O-CG 3.35Å; A434-L438 PolarHBondContact O-N 3.16Å; E435-L438 PolarHBondContact O-N 2.76Å; Q436-L438 VanDerWaalsContact C-N 3.28Å; Q436-L438 PolarHBondContact O-N 3.38Å; L438-A440 PolarHBondContact O-N 2.95Å; L438-R441 PolarHBondContact O-N 3.31Å; L438-V445 HydrophobicContact CD1-CB 4.3Å; L438-V445 HydrophobicContact CD2-CB 3.98Å; L438-V445 HydrophobicContact CD2-CG2 3.74Å; L438-V445 HydrophobicContact CG-CB 4.14Å; L438-V445 HydrophobicContact CG-CG2 3.84Å; L438-Y521 HydrophobicContact CD1-CD1 3.63Å; L438-Y521 HydrophobicContact CD1-CE1 4.35Å; L438-Y521 WeakPolarHBondContact CD1-O 3.39Å; L438-L523 HydrophobicContact CB-CD2 4.25Å; L438-L523 HydrophobicContact CB-CG 4.13Å; L438-L523 HydrophobicContact CD1-CD2 4.43Å
439	E	90.8	Very high	93.6	Very high	119 Å²	119	32.7 Å²	32.7	56%	0.556	16%	0.158	S	C	*	.	H	α-helix	trans	-60.3	-29.2	174	-69.1	-179.4	-164.7	0	0	111.9	E435 Q436 L437 R441 L523	E435-E439 PolarHBondContact O-N 3.36Å; Q436-E439 PolarHBondContact NE2-OE1 3.31Å; Q436-E439 VanDerWaalsContact NE2-OE1 3.15Å; Q436-E439 PolarHBondContact O-N 3.17Å; L437-E439 VanDerWaalsContact C-N 3.35Å; L437-E439 PolarHBondContact O-N 2.74Å; E439-R441 VanDerWaalsContact C-N 3.31Å; E439-R441 PolarHBondContact O-N 3.22Å; E439-L523 HydrophobicContact CG-CD1 3.99Å
440	A	81.9	Confident	93.6	Very high	37 Å²	37	32.8 Å²	32.8	31%	0.306	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.1	176.3	0	0	0	0	0	114.7	K340 L437 L438 A442	K340-A440 HydrophobicContact CB-CB 4.3Å; K340-A440 HydrophobicContact CD-CB 3.72Å; K340-A440 HydrophobicContact CG-CB 3.82Å; L437-A440 WeakPolarHBondContact O-CB 3.48Å; L437-A440 PolarHBondContact O-N 3.48Å; L438-A440 PolarHBondContact O-N 2.95Å; A440-A442 PolarHBondContact O-N 2.91Å; A440-A442 VanDerWaalsContact O-N 3.08Å
441	R	76.4	Confident	93.5	Very high	233 Å²	233	35.1 Å²	35.1	88%	0.879	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	22.1	178.3	-56.3	-174.5	-179.2	-172.3	0.3	116.5	L438 E439	L438-R441 PolarHBondContact O-N 3.31Å; E439-R441 VanDerWaalsContact C-N 3.31Å; E439-R441 PolarHBondContact O-N 3.22Å
442	A	79.5	Confident	93.5	Very high	56 Å²	56	36.1 Å²	36.1	46%	0.463	17%	0.173	S	C	.	.	S	Bend	trans	-111.4	-2.8	-177.7	0	0	0	0	0	114.1	K340 A440	K340-A442 HydrophobicContact CB-CB 4.07Å; K340-A442 CarbonylContact O-C 3.15Å; K340-A442 WeakPolarHBondContact O-CB 3.42Å; A440-A442 PolarHBondContact O-N 2.91Å; A440-A442 VanDerWaalsContact O-N 3.08Å
443	A	85.7	Confident	93.4	Very high	10 Å²	10	37.5 Å²	37.5	8%	0.083	18%	0.178	C	C	.	.			trans	-125.6	146.5	-171.6	0	0	0	0	0	111.4	V342 L437	V342-A443 WeakPolarHBondContact O-CB 3.07Å; L437-A443 HydrophobicContact CD1-CB 3.94Å; L437-A443 HydrophobicContact CD2-CB 3.71Å; L437-A443 HydrophobicContact CG-CB 3.59Å
444	K	95.9	Very high	93.4	Very high	86 Å²	86	37.6 Å²	37.6	37%	0.374	18%	0.18	S	C	.	.			trans	-91.8	132.1	160.1	-60.8	174.4	-177.9	168	0	108.8	N343 L344 Y446	N343-K444 CarbonylContact C-O 3.42Å; N343-K444 VanDerWaalsContact CA-O 3.23Å; N343-K444 WeakPolarHBondContact CA-O 3.37Å; N343-K444 HydrophobicContact CB-CB 4.31Å; N343-K444 WeakPolarHBondContact OD1-CB 3.24Å; N343-K444 PolarHBondContact OD1-N 3.11Å; L344-K444 PolarHBondContact N-O 3.4Å; K444-Y446 HydrophobicContact CB-CE2 4.03Å
445	V	98	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137	176.5	-178.8	0	0	0	0	109	L344 A434 L437 L438 V447 Y521	L344-V445 CarbonylContact O-C 3.59Å; L344-V445 WeakPolarHBondContact O-CA 3.4Å; A434-V445 HydrophobicContact CB-CG1 3.9Å; L437-V445 HydrophobicContact CD2-CG2 3.95Å; L437-V445 HydrophobicContact CG-CG2 4.39Å; L438-V445 HydrophobicContact CD1-CB 4.3Å; L438-V445 HydrophobicContact CD2-CB 3.98Å; L438-V445 HydrophobicContact CD2-CG2 3.74Å; L438-V445 HydrophobicContact CG-CB 4.14Å; L438-V445 HydrophobicContact CG-CG2 3.84Å; V445-V447 HydrophobicContact CG1-CG2 4.42Å; V445-Y521 WeakPolarHBondContact O-CB 3.11Å; V445-Y521 PolarHBondContact O-N 2.96Å
446	Y	98.5	Very high	93.3	Very high	7 Å²	7	40 Å²	40	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.2	172.4	-65.5	-87	0	0	0	107.9	L344 I345 V346 K444 F503 G507 K508 P509 W518 P519 E520	L344-Y446 PolarHBondContact O-N 3.22Å; I345-Y446 CarbonylContact C-O 3.56Å; I345-Y446 VanDerWaalsContact CA-O 3.27Å; I345-Y446 WeakPolarHBondContact CA-O 3.27Å; V346-Y446 PolarHBondContact N-O 3.48Å; K444-Y446 HydrophobicContact CB-CE2 4.03Å; Y446-F503 HydrophobicContact CD2-CD2 4.22Å; Y446-F503 HydrophobicContact CD2-CE2 4.04Å; Y446-F503 HydrophobicContact CE2-CE2 4.5Å; Y446-G507 VanDerWaalsContact CE2-O 3.28Å; Y446-G507 WeakPolarHBondContact CE2-O 3.47Å; Y446-K508 WeakPolarHBondContact OH-CG 3.36Å; Y446-P509 HydrophobicContact CD1-CG 4.15Å; Y446-P509 HydrophobicContact CD2-CG 4.3Å; Y446-P509 HydrophobicContact CG-CG 4.01Å; Y446-W518 AromaticContact CD1-CD1 3.64Å; Y446-W518 HydrophobicContact CD1-CG 4.23Å; Y446-W518 AromaticContact CD1-NE1 3.91Å; Y446-P519 WeakPolarHBondContact CD1-O 3.31Å; Y446-E520 HydrophobicContact CE1-CB 4.13Å
447	V	98.5	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.2	176.6	179.3	0	0	0	0	109	V346 L431 V445 W518 Y521 S528 F529	V346-V447 HydrophobicContact CB-CG2 4.39Å; V346-V447 CarbonylContact O-C 3.57Å; V346-V447 VanDerWaalsContact O-CA 3.25Å; V346-V447 WeakPolarHBondContact O-CA 3.33Å; L431-V447 HydrophobicContact CD2-CG1 4Å; V445-V447 HydrophobicContact CG1-CG2 4.42Å; V447-W518 PolarHBondContact O-NE1 2.81Å; V447-Y521 HydrophobicContact CB-CD2 3.77Å; V447-Y521 HydrophobicContact CB-CE2 4.21Å; V447-Y521 HydrophobicContact CB-CG 4.35Å; V447-Y521 HydrophobicContact CG2-CD1 4.13Å; V447-Y521 HydrophobicContact CG2-CD2 3.38Å; V447-Y521 HydrophobicContact CG2-CE2 3.81Å; V447-Y521 HydrophobicContact CG2-CG 3.56Å; V447-S528 VanDerWaalsContact CG1-OG 3.29Å; V447-S528 WeakPolarHBondContact CG1-OG 3.32Å; V447-S528 WeakPolarHBondContact O-CA 3.4Å; V447-F529 PolarHBondContact O-N 2.88Å
448	Y	98.3	Very high	93.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.3	165.9	73	-98.5	0	0	0	111.6	Q249 I345 V346 L348 F450 W500 W518 F529 L531	Q249-Y448 WeakPolarHBondContact CG-OH 3.39Å; I345-Y448 HydrophobicContact CG2-CD1 3.44Å; I345-Y448 VanDerWaalsContact CG2-CD1 3.44Å; I345-Y448 HydrophobicContact CG2-CE1 3.72Å; V346-Y448 PolarHBondContact O-N 3.2Å; L348-Y448 PolarHBondContact N-O 3.23Å; Y448-F450 HydrophobicContact CD2-CB 3.95Å; Y448-F450 HydrophobicContact CE2-CB 3.86Å; Y448-W500 AromaticContact CD1-CH2 3.59Å; Y448-W500 HydrophobicContact CD1-CH2 3.59Å; Y448-W500 HydrophobicContact CD1-CZ2 4.23Å; Y448-W500 HydrophobicContact CD1-CZ3 4.41Å; Y448-W500 AromaticContact CE1-CH2 3.26Å; Y448-W500 HydrophobicContact CE1-CH2 3.26Å; Y448-W500 AromaticContact CE1-CZ2 3.46Å; Y448-W500 HydrophobicContact CE1-CZ2 3.46Å; Y448-W500 VanDerWaalsContact CE1-CZ2 3.46Å; Y448-W500 HydrophobicContact CE1-CZ3 4.41Å; Y448-W500 HydrophobicContact CE2-CH2 4.38Å; Y448-W500 HydrophobicContact CG-CH2 4.27Å; Y448-W500 AromaticContact CZ-CH2 3.7Å; Y448-W500 AromaticContact CZ-CZ2 3.79Å; Y448-W518 HydrophobicContact CD1-CH2 4.27Å; Y448-W518 HydrophobicContact CD1-CZ2 4.4Å; Y448-W518 HydrophobicContact CG-CH2 4.44Å; Y448-F529 VanDerWaalsContact CA-O 3.29Å; Y448-F529 WeakPolarHBondContact CA-O 3.5Å; Y448-L531 HydrophobicContact CD1-CD1 4.46Å; Y448-L531 HydrophobicContact CD2-CD1 3.83Å; Y448-L531 HydrophobicContact CG-CD1 3.71Å
449	H	98	Very high	93.5	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	108.5	168.2	-175.7	-155.5	0	0	0	108.1	L348 E350 F529 A530 L531 E539	L348-H449 CarbonylContact O-C 3.44Å; L348-H449 WeakPolarHBondContact O-CA 3.16Å; E350-H449 WeakPolarHBondContact CA-NE2 3.35Å; E350-H449 IonicContact OE2-CE1 2.83Å; E350-H449 PolarHBondContact OE2-CE1 3.08Å; E350-H449 IonicContact OE2-ND1 3.89Å; E350-H449 IonicContact OE2-NE2 3.01Å; E350-H449 PolarHBondContact OE2-NE2 3.24Å; H449-F529 PolarHBondContact N-O 2.95Å; H449-A530 CarbonylContact O-C 3.04Å; H449-A530 VanDerWaalsContact O-CA 3.3Å; H449-A530 WeakPolarHBondContact O-CA 3.22Å; H449-L531 PolarHBondContact O-N 3.31Å; H449-E539 WeakPolarHBondContact CB-OE2 3.41Å; H449-E539 IonicContact CE1-OE2 2.65Å; H449-E539 IonicContact CG-OE2 3.73Å; H449-E539 IonicContact ND1-OE1 3.42Å; H449-E539 IonicContact ND1-OE2 3.84Å; H449-E539 PolarHBondContact ND1-OE2 2.89Å
450	F	98	Very high	93.8	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.5	-174.8	-167.5	-102.4	0	0	0	110.1	L348 N349 E350 Y448 H452 V465 E470 F473 F492 I496 L531	L348-F450 PolarHBondContact O-N 3.22Å; N349-F450 WeakPolarHBondContact OD1-CB 3.18Å; E350-F450 PolarHBondContact N-O 2.86Å; Y448-F450 HydrophobicContact CD2-CB 3.95Å; Y448-F450 HydrophobicContact CE2-CB 3.86Å; F450-H452 HydrophobicContact CE1-CB 4.29Å; F450-H452 WeakPolarHBondContact CE1-O 3.43Å; F450-H452 HydrophobicContact CZ-CB 4.05Å; F450-V465 HydrophobicContact CD1-CG1 3.43Å; F450-V465 VanDerWaalsContact CD1-CG1 3.43Å; F450-V465 HydrophobicContact CE1-CG1 3.94Å; F450-V465 HydrophobicContact CG-CG1 4.5Å; F450-V465 WeakPolarHBondContact O-CG1 3.26Å; F450-E470 HydrophobicContact CB-CB 4.34Å; F450-E470 HydrophobicContact CD1-CB 3.4Å; F450-E470 VanDerWaalsContact CD1-CB 3.4Å; F450-E470 HydrophobicContact CD2-CB 3.81Å; F450-E470 HydrophobicContact CE1-CB 3.48Å; F450-E470 VanDerWaalsContact CE1-CB 3.48Å; F450-E470 HydrophobicContact CE2-CB 3.87Å; F450-E470 HydrophobicContact CG-CB 3.6Å; F450-E470 HydrophobicContact CZ-CB 3.73Å; F450-F473 HydrophobicContact CE1-CD2 4.28Å; F450-F473 HydrophobicContact CE1-CE2 4.37Å; F450-F473 HydrophobicContact CE2-CD2 4.4Å; F450-F473 AromaticContact CZ-CD2 3.52Å; F450-F473 HydrophobicContact CZ-CD2 3.52Å; F450-F473 AromaticContact CZ-CE2 3.86Å; F450-F473 HydrophobicContact CZ-CE2 3.86Å; F450-F473 HydrophobicContact CZ-CG 4.24Å; F450-F492 HydrophobicContact CD2-CZ 4.39Å; F450-F492 AromaticContact CE2-CE1 3.54Å; F450-F492 HydrophobicContact CE2-CE1 3.54Å; F450-F492 AromaticContact CE2-CZ 3.62Å; F450-F492 HydrophobicContact CE2-CZ 3.62Å; F450-F492 AromaticContact CZ-CE1 3.73Å; F450-F492 HydrophobicContact CZ-CE1 3.73Å; F450-F492 HydrophobicContact CZ-CZ 4.25Å; F450-I496 HydrophobicContact CE2-CD1 4.3Å; F450-L531 HydrophobicContact CD2-CB 3.9Å; F450-L531 HydrophobicContact CD2-CD1 4.32Å
451	K	97	Very high	94.5	Very high	50 Å²	50	37.9 Å²	37.9	22%	0.217	20%	0.203	C	C	.	.			trans	-129.3	21.5	-168.2	-61.3	176.7	79.8	172.1	0	112	E350 A530 L531 K532 E537 E539	E350-K451 HydrophobicContact CB-CG 4.41Å; E350-K451 WeakPolarHBondContact OE2-CE 3.03Å; K451-A530 HydrophobicContact CD-CB 3.74Å; K451-L531 PolarHBondContact N-O 3.37Å; K451-K532 HydrophobicContact CB-CB 4.18Å; K451-E537 IonicContact NZ-OE1 2.83Å; K451-E537 PolarHBondContact NZ-OE1 3.2Å; K451-E539 IonicContact NZ-OE1 3.98Å; K451-E539 PolarHBondContact NZ-OE1 3.34Å
452	H	96.8	Very high	95.4	Very high	26 Å²	26	28.3 Å²	28.3	12%	0.12	17%	0.167	C	C	.	.			trans	-113.3	124.3	177.7	-175.4	66	0	0	0	111.2	F450 V465 F473 E489 F492 F533	F450-H452 HydrophobicContact CE1-CB 4.29Å; F450-H452 WeakPolarHBondContact CE1-O 3.43Å; F450-H452 HydrophobicContact CZ-CB 4.05Å; H452-V465 WeakPolarHBondContact O-CG1 3.49Å; H452-F473 AromaticContact CD2-CE1 3.89Å; H452-F473 AromaticContact CD2-CE2 3.86Å; H452-F473 AromaticContact CD2-CZ 3.33Å; H452-F473 WeakPolarHBondContact CD2-CZ 3.47Å; H452-F473 AromaticContact NE2-CZ 3.7Å; H452-E489 IonicContact CE1-OE1 2.68Å; H452-E489 IonicContact NE2-OE1 3.19Å; H452-E489 PolarHBondContact NE2-OE1 3.04Å; H452-F492 HydrophobicContact CB-CD1 4.45Å; H452-F492 HydrophobicContact CB-CE1 3.64Å; H452-F492 HydrophobicContact CB-CZ 4.07Å; H452-F492 AromaticContact CD2-CD1 3.92Å; H452-F492 AromaticContact CD2-CE1 3.86Å; H452-F492 AromaticContact CG-CE1 3.85Å; H452-F533 VanDerWaalsContact ND1-CB 3.33Å; H452-F533 WeakPolarHBondContact ND1-CB 3.13Å
453	R	96.2	Very high	96.2	Very high	56 Å²	56	25.6 Å²	25.6	21%	0.211	15%	0.145	C	C	.	.			trans	-93.2	123.7	172.8	177.4	175.6	178.5	64.6	8	108.6	N457 W459 G464 V465	R453-N457 HydrophobicContact CG-CB 4.28Å; R453-N457 PolarHBondContact NH1-ND2 3.29Å; R453-N457 PolarHBondContact NH1-OD1 3.32Å; R453-N457 VanDerWaalsContact NH1-OD1 3.12Å; R453-N457 PolarHBondContact NH2-O 3.38Å; R453-N457 PolarHBondContact NH2-OD1 3.31Å; R453-W459 PolarHBondContact NH2-O 3.29Å; R453-G464 WeakPolarHBondContact CD-O 3.22Å; R453-G464 PolarHBondContact NH1-O 3.3Å; R453-V465 HydrophobicContact CB-CG2 4.26Å
454	A	95.6	Very high	96.7	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.033	15%	0.147	C	C	.	.			trans	-58.7	138.4	175.4	0	0	0	0	0	111.6	T456 N457 E472 F473 Y485 E489	A454-T456 PolarHBondContact O-N 3.49Å; A454-N457 HydrophobicContact CB-CB 4.36Å; A454-N457 WeakPolarHBondContact O-CB 3.31Å; A454-N457 PolarHBondContact O-N 3.49Å; A454-E472 WeakPolarHBondContact CB-OE2 3.26Å; A454-F473 HydrophobicContact CB-CE2 3.9Å; A454-F473 HydrophobicContact CB-CZ 3.77Å; A454-Y485 HydrophobicContact CB-CE1 4.5Å; A454-E489 WeakPolarHBondContact CA-OE1 3.47Å
455	S	95.9	Very high	96.8	Very high	70 Å²	70	22.1 Å²	22.1	49%	0.49	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.1	175	62.2	0	0	0	0	112.7	E489	S455-E489 WeakPolarHBondContact CB-OE2 3.26Å; S455-E489 PolarHBondContact N-OE1 3.22Å; S455-E489 PolarHBondContact OG-OE1 2.62Å; S455-E489 PolarHBondContact OG-OE2 2.61Å
456	T	95.2	Very high	96.8	Very high	22 Å²	22	22.1 Å²	22.1	14%	0.135	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.6	175.9	53	0	0	0	0	113.4	R105 A454 P458 E472 N484 Y485	R105-T456 PolarHBondContact NH2-O 3.35Å; A454-T456 PolarHBondContact O-N 3.49Å; T456-P458 VanDerWaalsContact O-CD 3.31Å; T456-P458 WeakPolarHBondContact O-CD 3.34Å; T456-P458 VanDerWaalsContact O-N 3.17Å; T456-E472 PolarHBondContact OG1-OE2 2.69Å; T456-E472 VanDerWaalsContact OG1-OE2 3.14Å; T456-N484 HydrophobicContact CG2-CB 4.26Å; T456-N484 WeakPolarHBondContact CG2-O 3.48Å; T456-Y485 HydrophobicContact CG2-CD1 3.76Å; T456-Y485 HydrophobicContact CG2-CD2 4.34Å; T456-Y485 HydrophobicContact CG2-CE1 3.61Å; T456-Y485 HydrophobicContact CG2-CE2 4.21Å; T456-Y485 HydrophobicContact CG2-CG 4.13Å; T456-Y485 WeakPolarHBondContact OG1-CE1 3.04Å
457	N	95.7	Very high	96.8	Very high	13 Å²	13	22.2 Å²	22.2	7%	0.07	13%	0.133	C	C	.	.			trans	-68.4	119.1	-172.4	-175.6	-40.5	0	0	0	110.4	R453 A454 W459 Y469	R453-N457 HydrophobicContact CG-CB 4.28Å; R453-N457 PolarHBondContact NH1-ND2 3.29Å; R453-N457 PolarHBondContact NH1-OD1 3.32Å; R453-N457 VanDerWaalsContact NH1-OD1 3.12Å; R453-N457 PolarHBondContact NH2-O 3.38Å; R453-N457 PolarHBondContact NH2-OD1 3.31Å; A454-N457 HydrophobicContact CB-CB 4.36Å; A454-N457 WeakPolarHBondContact O-CB 3.31Å; A454-N457 PolarHBondContact O-N 3.49Å; N457-W459 PolarHBondContact O-N 2.98Å; N457-W459 WeakPolarHBondContact OD1-CB 3.47Å; N457-W459 PolarHBondContact OD1-N 3.47Å; N457-Y469 HydrophobicContact CB-CD1 4.31Å; N457-Y469 HydrophobicContact CB-CE1 4.31Å; N457-Y469 WeakPolarHBondContact ND2-CD1 3.2Å; N457-Y469 WeakPolarHBondContact ND2-CE1 3.45Å; N457-Y469 VanDerWaalsContact ND2-CG 3.27Å
458	P	95.6	Very high	96.7	Very high	39 Å²	39	22.5 Å²	22.5	25%	0.253	14%	0.136	S	C	.	.			trans	-82.5	-9.2	-170.5	33.6	-36	0	0	0	114.4	F104 T456	F104-P458 HydrophobicContact CE2-CB 4.05Å; F104-P458 HydrophobicContact CE2-CG 4.49Å; F104-P458 HydrophobicContact CZ-CB 4.05Å; F104-P458 HydrophobicContact CZ-CG 4.08Å; F104-P458 WeakPolarHBondContact CZ-O 3.36Å; T456-P458 VanDerWaalsContact O-CD 3.31Å; T456-P458 WeakPolarHBondContact O-CD 3.34Å; T456-P458 VanDerWaalsContact O-N 3.17Å
459	W	97	Very high	96.6	Very high	8 Å²	8	22.8 Å²	22.8	3%	0.03	14%	0.137	C	C	.	.	S	Bend	trans	-68.2	161.6	178.8	-66.5	91.1	0	0	0	112	F101 F104 G106 F355 F358 Y359 I367 R453 N457 A461 A463 M466 Y469	F101-W459 HydrophobicContact CD2-CH2 4.25Å; F101-W459 HydrophobicContact CE2-CH2 4.21Å; F104-W459 HydrophobicContact CD1-CH2 4.47Å; F104-W459 HydrophobicContact CD1-CZ2 4.41Å; F104-W459 AromaticContact CE1-CD2 3.63Å; F104-W459 HydrophobicContact CE1-CD2 3.63Å; F104-W459 AromaticContact CE1-CE2 3.59Å; F104-W459 AromaticContact CE1-CE3 3.84Å; F104-W459 HydrophobicContact CE1-CE3 3.84Å; F104-W459 HydrophobicContact CE1-CG 4.2Å; F104-W459 AromaticContact CE1-CH2 3.98Å; F104-W459 HydrophobicContact CE1-CH2 3.98Å; F104-W459 AromaticContact CE1-CZ2 3.78Å; F104-W459 HydrophobicContact CE1-CZ2 3.78Å; F104-W459 AromaticContact CE1-CZ3 4Å; F104-W459 HydrophobicContact CE1-CZ3 4Å; F104-W459 AromaticContact CZ-CD2 3.96Å; F104-W459 HydrophobicContact CZ-CD2 3.96Å; F104-W459 HydrophobicContact CZ-CE3 4.22Å; F104-W459 HydrophobicContact CZ-CG 4.13Å; G106-W459 PolarHBondContact O-NE1 3.36Å; F355-W459 HydrophobicContact CD2-CH2 4.46Å; F355-W459 AromaticContact CD2-CZ2 3.87Å; F355-W459 HydrophobicContact CD2-CZ2 3.87Å; F355-W459 HydrophobicContact CE2-CH2 4.32Å; F355-W459 AromaticContact CE2-CZ2 3.62Å; F355-W459 HydrophobicContact CE2-CZ2 3.62Å; F358-W459 HydrophobicContact CB-CH2 4.47Å; F358-W459 HydrophobicContact CB-CZ3 3.94Å; F358-W459 HydrophobicContact CD1-CZ3 4.2Å; F358-W459 AromaticContact CD2-CE3 3.55Å; F358-W459 HydrophobicContact CD2-CE3 3.55Å; F358-W459 HydrophobicContact CD2-CH2 4.23Å; F358-W459 AromaticContact CD2-CZ3 3.29Å; F358-W459 HydrophobicContact CD2-CZ3 3.29Å; F358-W459 HydrophobicContact CE1-CE3 4.49Å; F358-W459 HydrophobicContact CE2-CD2 4.44Å; F358-W459 AromaticContact CE2-CE3 3.44Å; F358-W459 HydrophobicContact CE2-CE3 3.44Å; F358-W459 VanDerWaalsContact CE2-CE3 3.44Å; F358-W459 AromaticContact CE2-CZ3 3.72Å; F358-W459 HydrophobicContact CE2-CZ3 3.72Å; F358-W459 HydrophobicContact CG-CE3 4.15Å; F358-W459 HydrophobicContact CG-CH2 4.5Å; F358-W459 AromaticContact CG-CZ3 3.56Å; F358-W459 HydrophobicContact CG-CZ3 3.56Å; F358-W459 AromaticContact CZ-CE3 3.93Å; F358-W459 HydrophobicContact CZ-CE3 3.93Å; F358-W459 HydrophobicContact CZ-CZ3 4.31Å; Y359-W459 AromaticContact CE2-CH2 3.98Å; Y359-W459 HydrophobicContact CE2-CH2 3.98Å; I367-W459 HydrophobicContact CD1-CE3 4.31Å; I367-W459 HydrophobicContact CD1-CH2 4.29Å; I367-W459 HydrophobicContact CD1-CZ3 3.73Å; I367-W459 HydrophobicContact CG1-CE3 4.19Å; I367-W459 HydrophobicContact CG1-CZ3 3.84Å; R453-W459 PolarHBondContact NH2-O 3.29Å; N457-W459 PolarHBondContact O-N 2.98Å; N457-W459 WeakPolarHBondContact OD1-CB 3.47Å; N457-W459 PolarHBondContact OD1-N 3.47Å; W459-A461 PolarHBondContact O-N 3Å; W459-A463 HydrophobicContact CB-CB 4.29Å; W459-M466 HydrophobicContact CB-CE 4.23Å; W459-M466 HydrophobicContact CB-SD 3.4Å; W459-M466 WeakPolarHBondContact CB-SD 3.18Å; W459-M466 HydrophobicContact CD2-CE 3.65Å; W459-M466 HydrophobicContact CD2-SD 3.89Å; W459-M466 HydrophobicContact CE3-CE 4.02Å; W459-M466 HydrophobicContact CG-CE 3.76Å; W459-M466 HydrophobicContact CG-SD 3.3Å; W459-Y469 AromaticContact CD1-CE2 3.91Å; W459-Y469 AromaticContact CD1-CZ 3.62Å; W459-Y469 AromaticContact NE1-CE2 3.75Å; W459-Y469 AromaticContact NE1-CZ 3.56Å; W459-Y469 PolarHBondContact NE1-OH 3.36Å
460	P	96.7	Very high	96.6	Very high	21 Å²	21	22.4 Å²	22.4	14%	0.136	14%	0.135	C	C	.	.			trans	-53.1	141.6	175.3	-28.6	38	0	0	0	111.9	F358 I367 W462 A463	F358-P460 HydrophobicContact CE1-CG 4.25Å; F358-P460 HydrophobicContact CZ-CG 3.91Å; I367-P460 HydrophobicContact CG2-CG 4.39Å; I367-P460 VanDerWaalsContact O-CG 3.26Å; I367-P460 WeakPolarHBondContact O-CG 3.45Å; P460-W462 HydrophobicContact CB-CD2 4.35Å; P460-W462 HydrophobicContact CB-CG 4.23Å; P460-W462 HydrophobicContact CB-CZ2 4.37Å; P460-W462 VanDerWaalsContact CB-NE1 3.27Å; P460-W462 HydrophobicContact CG-CZ2 4.46Å; P460-W462 PolarHBondContact O-N 2.94Å; P460-W462 VanDerWaalsContact O-N 3.11Å; P460-A463 WeakPolarHBondContact O-CB 3.33Å; P460-A463 PolarHBondContact O-N 3.1Å
461	A	96	Very high	96.6	Very high	85 Å²	85	22.3 Å²	22.3	70%	0.702	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-57	-33.6	-174.7	0	0	0	0	0	113	W459 A463 G464	W459-A461 PolarHBondContact O-N 3Å; A461-A463 PolarHBondContact O-N 2.98Å; A461-G464 PolarHBondContact O-N 3.24Å
462	W	95.4	Very high	96.6	Very high	31 Å²	31	20 Å²	20	12%	0.117	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.9	177	65.6	-106.3	0	0	0	113.6	F358 F365 H369 D370 R414 P460 G464	F358-W462 AromaticContact CE1-CH2 3.62Å; F358-W462 HydrophobicContact CE1-CH2 3.62Å; F358-W462 AromaticContact CE1-CZ2 3.46Å; F358-W462 HydrophobicContact CE1-CZ2 3.46Å; F358-W462 VanDerWaalsContact CE1-CZ2 3.46Å; F358-W462 AromaticContact CE2-CH2 3.73Å; F358-W462 HydrophobicContact CE2-CH2 3.73Å; F358-W462 HydrophobicContact CE2-CZ2 4.22Å; F358-W462 HydrophobicContact CE2-CZ3 4.42Å; F358-W462 AromaticContact CZ-CH2 3.14Å; F358-W462 HydrophobicContact CZ-CH2 3.14Å; F358-W462 AromaticContact CZ-CZ2 3.21Å; F358-W462 HydrophobicContact CZ-CZ2 3.21Å; F358-W462 HydrophobicContact CZ-CZ3 4.13Å; F365-W462 AromaticContact CD1-CH2 3.61Å; F365-W462 HydrophobicContact CD1-CH2 3.61Å; F365-W462 HydrophobicContact CD1-CZ2 4.31Å; F365-W462 HydrophobicContact CD1-CZ3 4.18Å; F365-W462 HydrophobicContact CE1-CH2 4.2Å; F365-W462 HydrophobicContact CE1-CZ3 4.32Å; H369-W462 PolarHBondContact O-NE1 3.31Å; D370-W462 PolarHBondContact O-NE1 3.5Å; R414-W462 HydrophobicContact CG-CE3 4.27Å; R414-W462 HydrophobicContact CG-CZ3 4.38Å; P460-W462 HydrophobicContact CB-CD2 4.35Å; P460-W462 HydrophobicContact CB-CG 4.23Å; P460-W462 HydrophobicContact CB-CZ2 4.37Å; P460-W462 VanDerWaalsContact CB-NE1 3.27Å; P460-W462 HydrophobicContact CG-CZ2 4.46Å; P460-W462 PolarHBondContact O-N 2.94Å; P460-W462 VanDerWaalsContact O-N 3.11Å; W462-G464 PolarHBondContact O-N 3.44Å
463	A	97.2	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-68.4	-16.2	177.2	0	0	0	0	0	112.4	N351 S354 F358 W459 P460 A461 M466	N351-A463 WeakPolarHBondContact CB-O 3.21Å; S354-A463 WeakPolarHBondContact CB-O 3.25Å; S354-A463 PolarHBondContact OG-O 3.21Å; F358-A463 HydrophobicContact CE2-CB 4.13Å; F358-A463 HydrophobicContact CZ-CB 4.41Å; W459-A463 HydrophobicContact CB-CB 4.29Å; P460-A463 WeakPolarHBondContact O-CB 3.33Å; P460-A463 PolarHBondContact O-N 3.1Å; A461-A463 PolarHBondContact O-N 2.98Å; A463-M466 HydrophobicContact CB-CE 4.08Å; A463-M466 HydrophobicContact CB-CG 4.01Å; A463-M466 HydrophobicContact CB-SD 3.67Å; A463-M466 WeakPolarHBondContact O-CG 3.48Å
464	G	96.6	Very high	96.8	Very high	13 Å²	13	16.1 Å²	16.1	13%	0.134	11%	0.109	C	C	.	.			trans	64.6	-134	167.6	0	0	0	0	0	113.8	N351 R453 A461 W462 M466	N351-G464 WeakPolarHBondContact OD1-CA 3.46Å; R453-G464 WeakPolarHBondContact CD-O 3.22Å; R453-G464 PolarHBondContact NH1-O 3.3Å; A461-G464 PolarHBondContact O-N 3.24Å; W462-G464 PolarHBondContact O-N 3.44Å; G464-M466 PolarHBondContact O-N 2.86Å
465	V	97.2	Very high	96.9	Very high	10 Å²	10	16 Å²	16	6%	0.061	11%	0.107	C	C	.	.	S	Bend	trans	-98.4	87.2	-178.2	-168.5	0	0	0	0	108.8	N349 E350 N351 F450 H452 R453	N349-V465 HydrophobicContact CB-CG1 4.26Å; E350-V465 HydrophobicContact CB-CB 4.02Å; E350-V465 HydrophobicContact CB-CG2 4.25Å; N351-V465 CarbonylContact C-O 3.54Å; N351-V465 WeakPolarHBondContact CA-O 3.19Å; N351-V465 WeakPolarHBondContact CB-O 3.05Å; N351-V465 PolarHBondContact N-O 2.83Å; N351-V465 PolarHBondContact OD1-N 3.44Å; F450-V465 HydrophobicContact CD1-CG1 3.43Å; F450-V465 VanDerWaalsContact CD1-CG1 3.43Å; F450-V465 HydrophobicContact CE1-CG1 3.94Å; F450-V465 HydrophobicContact CG-CG1 4.5Å; F450-V465 WeakPolarHBondContact O-CG1 3.26Å; H452-V465 WeakPolarHBondContact O-CG1 3.49Å; R453-V465 HydrophobicContact CB-CG2 4.26Å
466	M	97.1	Very high	97	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-75.4	162.2	-169.4	-50.1	178.7	67.8	0	0	112.1	N349 S354 F355 F358 W459 A463 G464 Y469	N349-M466 PolarHBondContact ND2-O 3.49Å; S354-M466 WeakPolarHBondContact OG-CG 3.1Å; F355-M466 HydrophobicContact CB-CE 3.78Å; F355-M466 HydrophobicContact CD2-CE 3.99Å; F355-M466 HydrophobicContact CG-CE 4.36Å; F358-M466 HydrophobicContact CD2-CE 4.37Å; F358-M466 HydrophobicContact CE2-CE 4.1Å; W459-M466 HydrophobicContact CB-CE 4.23Å; W459-M466 HydrophobicContact CB-SD 3.4Å; W459-M466 WeakPolarHBondContact CB-SD 3.18Å; W459-M466 HydrophobicContact CD2-CE 3.65Å; W459-M466 HydrophobicContact CD2-SD 3.89Å; W459-M466 HydrophobicContact CE3-CE 4.02Å; W459-M466 HydrophobicContact CG-CE 3.76Å; W459-M466 HydrophobicContact CG-SD 3.3Å; A463-M466 HydrophobicContact CB-CE 4.08Å; A463-M466 HydrophobicContact CB-CG 4.01Å; A463-M466 HydrophobicContact CB-SD 3.67Å; A463-M466 WeakPolarHBondContact O-CG 3.48Å; G464-M466 PolarHBondContact O-N 2.86Å; M466-Y469 HydrophobicContact CB-CD2 3.72Å; M466-Y469 HydrophobicContact CB-CE2 4.28Å; M466-Y469 PolarHBondContact O-N 3.37Å; M466-Y469 HydrophobicContact SD-CE2 4.35Å
467	H	98.2	Very high	97.1	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.037	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	139.3	169	-166.7	68.5	0	0	0	112.3	E223 S224 S250 E352 F355 W356 F426 Y469	E223-H467 IonicContact OE1-CD2 2.74Å; E223-H467 PolarHBondContact OE1-CD2 2.94Å; E223-H467 VanDerWaalsContact OE1-CD2 3.31Å; E223-H467 IonicContact OE1-CE1 3.65Å; E223-H467 PolarHBondContact OE1-CE1 3.41Å; E223-H467 VanDerWaalsContact OE1-CE1 3.24Å; E223-H467 IonicContact OE1-CG 3.78Å; E223-H467 IonicContact OE1-ND1 3.01Å; E223-H467 IonicContact OE1-NE2 3.4Å; E223-H467 PolarHBondContact OE1-NE2 2.85Å; S224-H467 VanDerWaalsContact CB-NE2 3.3Å; S224-H467 WeakPolarHBondContact CB-NE2 3.41Å; S224-H467 PolarHBondContact OG-NE2 3.24Å; S224-H467 VanDerWaalsContact OG-NE2 3.08Å; S250-H467 VanDerWaalsContact CB-CE1 3.44Å; S250-H467 WeakPolarHBondContact CB-CE1 3.34Å; S250-H467 WeakPolarHBondContact CB-ND1 3.44Å; S250-H467 PolarHBondContact O-CE1 3.44Å; E352-H467 IonicContact OE2-CE1 3.23Å; E352-H467 IonicContact OE2-CG 3.72Å; E352-H467 IonicContact OE2-ND1 2.62Å; E352-H467 PolarHBondContact OE2-ND1 2.74Å; F355-H467 HydrophobicContact CB-CB 4.27Å; W356-H467 AromaticContact CE2-CD2 3.96Å; W356-H467 AromaticContact CZ2-CD2 3.43Å; W356-H467 VanDerWaalsContact CZ2-CD2 3.43Å; W356-H467 WeakPolarHBondContact CZ2-CD2 3.32Å; W356-H467 AromaticContact CZ2-NE2 3.62Å; W356-H467 AromaticContact NE1-CD2 3.94Å; W356-H467 AromaticContact NE1-CG 3.9Å; F426-H467 AromaticContact CD1-CE1 3.38Å; F426-H467 WeakPolarHBondContact CD1-CE1 3.46Å; F426-H467 AromaticContact CD1-ND1 3.84Å; F426-H467 AromaticContact CE1-CE1 3.26Å; F426-H467 WeakPolarHBondContact CE1-CE1 3.48Å; F426-H467 AromaticContact CE1-ND1 3.9Å; F426-H467 AromaticContact CE1-NE2 3.58Å; H467-Y469 WeakPolarHBondContact O-CD2 3.36Å; H467-Y469 PolarHBondContact O-N 3.47Å; H467-Y469 VanDerWaalsContact O-N 3.13Å
468	A	97.5	Very high	97.2	Very high	7 Å²	7	11.6 Å²	11.6	6%	0.058	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-5.3	-179.6	0	0	0	0	0	118.2	W110 E223 E470 I471	W110-A468 HydrophobicContact CH2-CB 3.74Å; W110-A468 HydrophobicContact CZ2-CB 4.04Å; W110-A468 HydrophobicContact CZ3-CB 4.39Å; E223-A468 HydrophobicContact CG-CB 4.26Å; E223-A468 WeakPolarHBondContact OE1-CA 3.34Å; E223-A468 VanDerWaalsContact OE1-CB 3.3Å; E223-A468 WeakPolarHBondContact OE1-CB 3.41Å; E223-A468 PolarHBondContact OE1-N 3.03Å; A468-E470 WeakPolarHBondContact CA-OE2 3.44Å; A468-E470 PolarHBondContact O-N 2.74Å; A468-I471 HydrophobicContact CB-CD1 3.87Å; A468-I471 VanDerWaalsContact O-CB 3.26Å; A468-I471 WeakPolarHBondContact O-CB 3.44Å; A468-I471 VanDerWaalsContact O-CD1 3.3Å; A468-I471 WeakPolarHBondContact O-CD1 3.36Å; A468-I471 WeakPolarHBondContact O-CG1 3.5Å; A468-I471 PolarHBondContact O-N 3.26Å
469	Y	96.2	Very high	97.2	Very high	5 Å²	5	11.1 Å²	11.1	2%	0.02	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.6	-172.4	-89.5	-87.4	0	0	0	115.5	G106 M109 W110 N457 W459 M466 H467 I471 E472	G106-Y469 PolarHBondContact O-OH 3.31Å; M109-Y469 HydrophobicContact CE-CE1 4.39Å; M109-Y469 HydrophobicContact SD-CE1 4.08Å; M109-Y469 PolarHBondContact SD-OH 3.09Å; M109-Y469 VanDerWaalsContact SD-OH 3.35Å; W110-Y469 HydrophobicContact CZ2-CD2 4.48Å; W110-Y469 HydrophobicContact CZ2-CE2 4.16Å; N457-Y469 HydrophobicContact CB-CD1 4.31Å; N457-Y469 HydrophobicContact CB-CE1 4.31Å; N457-Y469 WeakPolarHBondContact ND2-CD1 3.2Å; N457-Y469 WeakPolarHBondContact ND2-CE1 3.45Å; N457-Y469 VanDerWaalsContact ND2-CG 3.27Å; W459-Y469 AromaticContact CD1-CE2 3.91Å; W459-Y469 AromaticContact CD1-CZ 3.62Å; W459-Y469 AromaticContact NE1-CE2 3.75Å; W459-Y469 AromaticContact NE1-CZ 3.56Å; W459-Y469 PolarHBondContact NE1-OH 3.36Å; M466-Y469 HydrophobicContact CB-CD2 3.72Å; M466-Y469 HydrophobicContact CB-CE2 4.28Å; M466-Y469 PolarHBondContact O-N 3.37Å; M466-Y469 HydrophobicContact SD-CE2 4.35Å; H467-Y469 WeakPolarHBondContact O-CD2 3.36Å; H467-Y469 PolarHBondContact O-N 3.47Å; H467-Y469 VanDerWaalsContact O-N 3.13Å; Y469-I471 VanDerWaalsContact C-N 3.26Å; Y469-E472 WeakPolarHBondContact CD1-OE1 3.42Å; Y469-E472 WeakPolarHBondContact CE1-OE1 3.46Å
470	E	97.5	Very high	97.2	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.4	168.8	82.9	-68.8	178.7	0	0	112.4	Q249 N349 F450 A468 E472 F473 V474	Q249-E470 WeakPolarHBondContact CB-OE1 3.21Å; Q249-E470 PolarHBondContact NE2-OE1 3.01Å; N349-E470 PolarHBondContact ND2-OE2 2.79Å; N349-E470 PolarHBondContact OD1-OE2 3.48Å; F450-E470 HydrophobicContact CB-CB 4.34Å; F450-E470 HydrophobicContact CD1-CB 3.4Å; F450-E470 VanDerWaalsContact CD1-CB 3.4Å; F450-E470 HydrophobicContact CD2-CB 3.81Å; F450-E470 HydrophobicContact CE1-CB 3.48Å; F450-E470 VanDerWaalsContact CE1-CB 3.48Å; F450-E470 HydrophobicContact CE2-CB 3.87Å; F450-E470 HydrophobicContact CG-CB 3.6Å; F450-E470 HydrophobicContact CZ-CB 3.73Å; A468-E470 WeakPolarHBondContact CA-OE2 3.44Å; A468-E470 PolarHBondContact O-N 2.74Å; E470-E472 PolarHBondContact O-N 3.05Å; E470-F473 WeakPolarHBondContact O-CB 3.42Å; E470-F473 PolarHBondContact O-N 3.24Å; E470-V474 PolarHBondContact O-N 3.4Å
471	I	98.4	Very high	97.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.3	-37.8	-179.5	-63.7	175.4	0	0	0	111.5	W110 W139 I154 Y155 E223 A468 Y469 F473 V474 F475	W110-I471 HydrophobicContact CH2-CD1 4.27Å; W110-I471 HydrophobicContact CZ3-CD1 4.31Å; W139-I471 HydrophobicContact CH2-CD1 3.98Å; W139-I471 HydrophobicContact CH2-CG1 4.09Å; W139-I471 HydrophobicContact CZ2-CD1 3.96Å; W139-I471 HydrophobicContact CZ2-CG1 4.45Å; I154-I471 HydrophobicContact CD1-CB 4.13Å; I154-I471 HydrophobicContact CD1-CG2 3.87Å; I154-I471 HydrophobicContact CG1-CB 4.49Å; I154-I471 HydrophobicContact CG1-CG2 3.73Å; Y155-I471 HydrophobicContact CD1-CG2 3.97Å; Y155-I471 HydrophobicContact CE1-CD1 4.15Å; Y155-I471 HydrophobicContact CE1-CG2 3.68Å; E223-I471 HydrophobicContact CB-CD1 3.94Å; E223-I471 HydrophobicContact CB-CG1 4.48Å; E223-I471 HydrophobicContact CG-CD1 3.85Å; E223-I471 HydrophobicContact CG-CG1 4.34Å; A468-I471 HydrophobicContact CB-CD1 3.87Å; A468-I471 VanDerWaalsContact O-CB 3.26Å; A468-I471 WeakPolarHBondContact O-CB 3.44Å; A468-I471 VanDerWaalsContact O-CD1 3.3Å; A468-I471 WeakPolarHBondContact O-CD1 3.36Å; A468-I471 WeakPolarHBondContact O-CG1 3.5Å; A468-I471 PolarHBondContact O-N 3.26Å; Y469-I471 VanDerWaalsContact C-N 3.26Å; I471-F473 PolarHBondContact O-N 3.04Å; I471-F473 VanDerWaalsContact O-N 3.14Å; I471-V474 PolarHBondContact O-N 3.39Å; I471-F475 HydrophobicContact CG2-CD2 3.57Å; I471-F475 HydrophobicContact CG2-CE2 3.95Å; I471-F475 PolarHBondContact O-N 2.97Å
472	E	97	Very high	96.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-53.2	-37.4	178.2	-62.4	-175	-169.7	0	0	111.7	I154 A454 T456 Y469 E470 G476 L477 P478 Y485	I154-E472 HydrophobicContact CD1-CB 4.5Å; I154-E472 HydrophobicContact CD1-CG 3.57Å; I154-E472 HydrophobicContact CG1-CG 4.32Å; A454-E472 WeakPolarHBondContact CB-OE2 3.26Å; T456-E472 PolarHBondContact OG1-OE2 2.69Å; T456-E472 VanDerWaalsContact OG1-OE2 3.14Å; Y469-E472 WeakPolarHBondContact CD1-OE1 3.42Å; Y469-E472 WeakPolarHBondContact CE1-OE1 3.46Å; E470-E472 PolarHBondContact O-N 3.05Å; E472-G476 PolarHBondContact O-N 3.26Å; E472-L477 HydrophobicContact CB-CD1 4.23Å; E472-L477 HydrophobicContact CG-CD1 4.13Å; E472-L477 WeakPolarHBondContact O-CB 3.49Å; E472-L477 PolarHBondContact O-N 3.08Å; E472-P478 VanDerWaalsContact O-CD 3.32Å; E472-P478 WeakPolarHBondContact O-CD 3.21Å; E472-Y485 WeakPolarHBondContact OE2-CE1 3.42Å; E472-Y485 PolarHBondContact OE2-OH 3.12Å; E472-Y485 VanDerWaalsContact OE2-OH 3.12Å
473	F	98	Very high	96.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-83.6	-32	179.4	-59	-84.3	0	0	0	112.8	F450 H452 A454 E470 I471 P478 E489 F492 S493 I496	F450-F473 HydrophobicContact CE1-CD2 4.28Å; F450-F473 HydrophobicContact CE1-CE2 4.37Å; F450-F473 HydrophobicContact CE2-CD2 4.4Å; F450-F473 AromaticContact CZ-CD2 3.52Å; F450-F473 HydrophobicContact CZ-CD2 3.52Å; F450-F473 AromaticContact CZ-CE2 3.86Å; F450-F473 HydrophobicContact CZ-CE2 3.86Å; F450-F473 HydrophobicContact CZ-CG 4.24Å; H452-F473 AromaticContact CD2-CE1 3.89Å; H452-F473 AromaticContact CD2-CE2 3.86Å; H452-F473 AromaticContact CD2-CZ 3.33Å; H452-F473 WeakPolarHBondContact CD2-CZ 3.47Å; H452-F473 AromaticContact NE2-CZ 3.7Å; A454-F473 HydrophobicContact CB-CE2 3.9Å; A454-F473 HydrophobicContact CB-CZ 3.77Å; E470-F473 WeakPolarHBondContact O-CB 3.42Å; E470-F473 PolarHBondContact O-N 3.24Å; I471-F473 PolarHBondContact O-N 3.04Å; I471-F473 VanDerWaalsContact O-N 3.14Å; F473-P478 HydrophobicContact CD1-CG 4.09Å; F473-P478 HydrophobicContact CE1-CG 4.17Å; F473-E489 HydrophobicContact CE1-CB 3.93Å; F473-E489 HydrophobicContact CE1-CG 3.94Å; F473-E489 HydrophobicContact CZ-CG 4.35Å; F473-F492 AromaticContact CD1-CD1 3.64Å; F473-F492 HydrophobicContact CD1-CD1 3.64Å; F473-F492 HydrophobicContact CD1-CE1 4.23Å; F473-F492 AromaticContact CE1-CD1 3.82Å; F473-F492 HydrophobicContact CE1-CD1 3.82Å; F473-F492 HydrophobicContact CE1-CE1 4.45Å; F473-F492 HydrophobicContact CG-CD1 4.18Å; F473-F492 HydrophobicContact CG-CE1 4.33Å; F473-F492 HydrophobicContact CZ-CD1 4.48Å; F473-S493 PolarHBondContact O-OG 2.87Å; F473-I496 HydrophobicContact CB-CB 4.37Å; F473-I496 HydrophobicContact CB-CG1 4.16Å; F473-I496 HydrophobicContact CB-CG2 4.41Å
474	V	98.5	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-45.3	177.6	175.7	0	0	0	0	111.2	F221 E470 I471 G476 I496 I497 W500	F221-V474 HydrophobicContact CD2-CG1 4.25Å; F221-V474 HydrophobicContact CE2-CG1 4.03Å; E470-V474 PolarHBondContact O-N 3.4Å; I471-V474 PolarHBondContact O-N 3.39Å; V474-G476 VanDerWaalsContact C-N 3.33Å; V474-I496 HydrophobicContact CB-CG2 4.4Å; V474-I496 HydrophobicContact CG2-CG2 3.72Å; V474-I497 WeakPolarHBondContact O-CG1 3.49Å; V474-W500 HydrophobicContact CG1-CG 4.21Å; V474-W500 HydrophobicContact CG2-CD2 4.43Å; V474-W500 HydrophobicContact CG2-CZ2 3.98Å
475	F	98.5	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-81.3	-13	180	-83.6	-89.9	0	0	0	113.9	W139 I154 Y155 L160 F221 I471	W139-F475 HydrophobicContact CB-CZ 4.09Å; W139-F475 AromaticContact CD1-CZ 3.84Å; W139-F475 AromaticContact CD2-CE2 3.81Å; W139-F475 HydrophobicContact CD2-CE2 3.81Å; W139-F475 AromaticContact CD2-CZ 3.63Å; W139-F475 HydrophobicContact CD2-CZ 3.63Å; W139-F475 AromaticContact CE2-CE2 3.81Å; W139-F475 AromaticContact CE2-CZ 3.9Å; W139-F475 HydrophobicContact CE3-CE2 4.05Å; W139-F475 HydrophobicContact CE3-CZ 4.14Å; W139-F475 HydrophobicContact CG-CE2 4.28Å; W139-F475 AromaticContact CG-CZ 3.61Å; W139-F475 HydrophobicContact CG-CZ 3.61Å; W139-F475 HydrophobicContact CH2-CE2 4.23Å; W139-F475 HydrophobicContact CZ2-CE2 4.05Å; W139-F475 HydrophobicContact CZ3-CE2 4.23Å; W139-F475 AromaticContact NE1-CZ 3.97Å; I154-F475 WeakPolarHBondContact O-CB 3.5Å; I154-F475 VanDerWaalsContact O-CG 3.28Å; I154-F475 WeakPolarHBondContact O-CG 3.35Å; Y155-F475 HydrophobicContact CD1-CD2 4.1Å; Y155-F475 AromaticContact CD1-CE2 3.66Å; Y155-F475 HydrophobicContact CD1-CE2 3.66Å; Y155-F475 AromaticContact CD1-CZ 3.91Å; Y155-F475 HydrophobicContact CD1-CZ 3.91Å; Y155-F475 HydrophobicContact CE1-CE2 4.36Å; Y155-F475 HydrophobicContact CG-CZ 4.38Å; Y155-F475 WeakPolarHBondContact O-CE1 3.41Å; L160-F475 PolarHBondContact N-O 3.26Å; F221-F475 HydrophobicContact CE2-CE2 4.06Å; F221-F475 AromaticContact CE2-CZ 3.97Å; F221-F475 HydrophobicContact CE2-CZ 3.97Å; F221-F475 HydrophobicContact CZ-CE1 4.47Å; F221-F475 AromaticContact CZ-CZ 3.97Å; F221-F475 HydrophobicContact CZ-CZ 3.97Å; I471-F475 HydrophobicContact CG2-CD2 3.57Å; I471-F475 HydrophobicContact CG2-CE2 3.95Å; I471-F475 PolarHBondContact O-N 2.97Å
476	G	97.9	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	29.9	176.6	0	0	0	0	0	114.3	E472 V474 P478 L479 L480 S493	E472-G476 PolarHBondContact O-N 3.26Å; V474-G476 VanDerWaalsContact C-N 3.33Å; G476-P478 VanDerWaalsContact C-N 3.31Å; G476-L479 WeakPolarHBondContact O-CA 3.35Å; G476-L479 WeakPolarHBondContact O-CB 3.22Å; G476-L479 PolarHBondContact O-N 2.84Å; G476-L480 PolarHBondContact O-N 3.17Å; G476-S493 WeakPolarHBondContact CA-OG 3.46Å
477	L	97.1	Very high	96.5	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-56	-39.2	176.7	-67	-162.6	0	0	0	113.5	I154 E472 L479 L480 Y481 Y485	I154-L477 HydrophobicContact CB-CD1 4.21Å; I154-L477 HydrophobicContact CD1-CD1 4.47Å; I154-L477 HydrophobicContact CG1-CD1 3.83Å; I154-L477 HydrophobicContact CG1-CG 4.4Å; E472-L477 HydrophobicContact CB-CD1 4.23Å; E472-L477 HydrophobicContact CG-CD1 4.13Å; E472-L477 WeakPolarHBondContact O-CB 3.49Å; E472-L477 PolarHBondContact O-N 3.08Å; L477-L479 PolarHBondContact O-N 3.01Å; L477-L480 HydrophobicContact CD2-CD1 4.24Å; L477-L480 PolarHBondContact O-N 2.66Å; L477-Y481 HydrophobicContact CD2-CD2 4.3Å; L477-Y481 HydrophobicContact CD2-CE2 4.06Å; L477-Y481 PolarHBondContact O-N 3.33Å; L477-Y485 HydrophobicContact CB-CE2 4Å
478	P	96.9	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55.8	-33.6	171.3	-29.7	38.7	0	0	0	113.7	E472 F473 G476 P482 Y485 E489 E490	E472-P478 VanDerWaalsContact O-CD 3.32Å; E472-P478 WeakPolarHBondContact O-CD 3.21Å; F473-P478 HydrophobicContact CD1-CG 4.09Å; F473-P478 HydrophobicContact CE1-CG 4.17Å; G476-P478 VanDerWaalsContact C-N 3.31Å; P478-P482 VanDerWaalsContact O-CA 3.24Å; P478-P482 WeakPolarHBondContact O-CA 3.41Å; P478-Y485 HydrophobicContact CB-CD1 4.39Å; P478-Y485 HydrophobicContact CB-CD2 4.18Å; P478-Y485 HydrophobicContact CB-CG 3.95Å; P478-Y485 HydrophobicContact CG-CD1 3.79Å; P478-Y485 HydrophobicContact CG-CD2 4.17Å; P478-Y485 HydrophobicContact CG-CE1 4.06Å; P478-Y485 HydrophobicContact CG-CE2 4.44Å; P478-Y485 HydrophobicContact CG-CG 3.84Å; P478-E489 HydrophobicContact CG-CB 4.5Å; P478-E490 HydrophobicContact CB-CB 4.43Å; P478-E490 HydrophobicContact CB-CG 4.05Å
479	L	96.9	Very high	96.2	Very high	28 Å²	28	31.6 Å²	31.6	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-79.8	-30.1	179.4	-52.9	-178.8	0	0	0	113	A159 E163 G476 L477 E490 K494 I497	A159-L479 HydrophobicContact CB-CB 4.07Å; A159-L479 HydrophobicContact CB-CD1 4.46Å; E163-L479 HydrophobicContact CB-CD1 4.29Å; E163-L479 HydrophobicContact CG-CD1 4.26Å; G476-L479 WeakPolarHBondContact O-CA 3.35Å; G476-L479 WeakPolarHBondContact O-CB 3.22Å; G476-L479 PolarHBondContact O-N 2.84Å; L477-L479 PolarHBondContact O-N 3.01Å; L479-E490 HydrophobicContact CD2-CB 4.11Å; L479-K494 HydrophobicContact CD1-CG 3.95Å; L479-K494 HydrophobicContact CD2-CD 4.41Å; L479-K494 HydrophobicContact CD2-CG 3.86Å; L479-I497 HydrophobicContact CD1-CD1 3.72Å
480	L	95.8	Very high	96.2	Very high	34 Å²	34	33.5 Å²	33.5	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-79.2	-34.8	176.3	-65.2	177.4	0	0	0	112.2	V48 D156 R158 A159 G476 L477 P482	V48-L480 HydrophobicContact CG1-CD2 3.9Å; D156-L480 HydrophobicContact CB-CD1 3.86Å; R158-L480 HydrophobicContact CB-CD2 4.22Å; A159-L480 HydrophobicContact CB-CD1 4.24Å; A159-L480 HydrophobicContact CB-CD2 3.76Å; A159-L480 HydrophobicContact CB-CG 3.68Å; G476-L480 PolarHBondContact O-N 3.17Å; L477-L480 HydrophobicContact CD2-CD1 4.24Å; L477-L480 PolarHBondContact O-N 2.66Å; L480-P482 VanDerWaalsContact C-CD 3.44Å
481	Y	94.8	Very high	96.1	Very high	92 Å²	92	38.4 Å²	38.4	36%	0.361	22%	0.218	S	C	.	.			trans	-129.7	59.2	-174.3	-52.4	-74.8	0	0	0	111.7	L477 G483 N484 Y485	L477-Y481 HydrophobicContact CD2-CD2 4.3Å; L477-Y481 HydrophobicContact CD2-CE2 4.06Å; L477-Y481 PolarHBondContact O-N 3.33Å; Y481-G483 PolarHBondContact O-N 3.47Å; Y481-N484 PolarHBondContact O-N 3.39Å; Y481-Y485 WeakPolarHBondContact O-CD2 3.21Å
482	P	90.3	Very high	96	Very high	62 Å²	62	38.6 Å²	38.6	40%	0.403	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-57.8	-28.1	-173.3	23.2	-35.2	0	0	0	113.5	P478 L480 N484 Y485 E490	P478-P482 VanDerWaalsContact O-CA 3.24Å; P478-P482 WeakPolarHBondContact O-CA 3.41Å; L480-P482 VanDerWaalsContact C-CD 3.44Å; P482-N484 PolarHBondContact O-N 3.3Å; P482-Y485 PolarHBondContact O-N 3.22Å; P482-E490 HydrophobicContact CB-CG 4.47Å; P482-E490 WeakPolarHBondContact CB-OE1 3.49Å
483	G	92.7	Very high	96	Very high	78 Å²	78	38.5 Å²	38.5	80%	0.804	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-67.7	-16.4	176.1	0	0	0	0	0	115.4	Y481	Y481-G483 PolarHBondContact O-N 3.47Å
484	N	95.7	Very high	95.9	Very high	110 Å²	110	41.4 Å²	41.4	59%	0.588	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-94.6	-19.7	179.9	-69.2	-5.2	0	0	0	112.8	T456 Y481 P482	T456-N484 HydrophobicContact CG2-CB 4.26Å; T456-N484 WeakPolarHBondContact CG2-O 3.48Å; Y481-N484 PolarHBondContact O-N 3.39Å; P482-N484 PolarHBondContact O-N 3.3Å
485	Y	96.7	Very high	95.7	Very high	26 Å²	26	43.9 Å²	43.9	10%	0.102	24%	0.242	C	C	.	.	S	Bend	trans	-115.7	168.7	-175.3	-64.9	-92.5	0	0	0	110.3	A454 T456 E472 L477 P478 Y481 P482	A454-Y485 HydrophobicContact CB-CE1 4.5Å; T456-Y485 HydrophobicContact CG2-CD1 3.76Å; T456-Y485 HydrophobicContact CG2-CD2 4.34Å; T456-Y485 HydrophobicContact CG2-CE1 3.61Å; T456-Y485 HydrophobicContact CG2-CE2 4.21Å; T456-Y485 HydrophobicContact CG2-CG 4.13Å; T456-Y485 WeakPolarHBondContact OG1-CE1 3.04Å; E472-Y485 WeakPolarHBondContact OE2-CE1 3.42Å; E472-Y485 PolarHBondContact OE2-OH 3.12Å; E472-Y485 VanDerWaalsContact OE2-OH 3.12Å; L477-Y485 HydrophobicContact CB-CE2 4Å; P478-Y485 HydrophobicContact CB-CD1 4.39Å; P478-Y485 HydrophobicContact CB-CD2 4.18Å; P478-Y485 HydrophobicContact CB-CG 3.95Å; P478-Y485 HydrophobicContact CG-CD1 3.79Å; P478-Y485 HydrophobicContact CG-CD2 4.17Å; P478-Y485 HydrophobicContact CG-CE1 4.06Å; P478-Y485 HydrophobicContact CG-CE2 4.44Å; P478-Y485 HydrophobicContact CG-CG 3.84Å; Y481-Y485 WeakPolarHBondContact O-CD2 3.21Å; P482-Y485 PolarHBondContact O-N 3.22Å
486	T	96.2	Very high	95.7	Very high	50 Å²	50	43.9 Å²	43.9	31%	0.307	24%	0.242	S	C	.	.			trans	-78.7	149.5	172	61.1	0	0	0	0	110.5	Q488 E489 E490	T486-Q488 PolarHBondContact O-N 2.98Å; T486-E489 PolarHBondContact N-OE2 2.85Å; T486-E489 WeakPolarHBondContact O-CA 3.38Å; T486-E489 WeakPolarHBondContact O-CB 3.09Å; T486-E489 PolarHBondContact O-N 3.32Å; T486-E489 WeakPolarHBondContact OG1-CB 3.5Å; T486-E489 VanDerWaalsContact OG1-CD 3.32Å; T486-E489 VanDerWaalsContact OG1-CG 3.22Å; T486-E489 WeakPolarHBondContact OG1-CG 3.36Å; T486-E489 PolarHBondContact OG1-N 3.34Å; T486-E489 PolarHBondContact OG1-OE2 3.2Å; T486-E490 PolarHBondContact O-N 3.36Å; T486-E490 VanDerWaalsContact O-N 3.14Å
487	P	95.4	Very high	95.7	Very high	82 Å²	82	43.9 Å²	43.9	53%	0.532	24%	0.242	S	C	.	.	H	α-helix	trans	-55	-25.8	173.3	-27	34.6	0	0	0	113.2	E490 E491	P487-E490 WeakPolarHBondContact O-CB 2.92Å; P487-E491 PolarHBondContact O-N 3.34Å
488	Q	93.7	Very high	95.7	Very high	76 Å²	76	47.6 Å²	47.6	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-67.1	-41.7	173.9	-79.8	82.1	32.2	0	0	113.6	T486 E490 E491 F492 F533	T486-Q488 PolarHBondContact O-N 2.98Å; Q488-E490 VanDerWaalsContact C-N 3.34Å; Q488-E491 PolarHBondContact O-N 2.74Å; Q488-F492 PolarHBondContact O-N 2.68Å; Q488-F533 HydrophobicContact CB-CD2 4.31Å; Q488-F533 HydrophobicContact CB-CE1 4Å; Q488-F533 HydrophobicContact CB-CE2 3.36Å; Q488-F533 HydrophobicContact CB-CZ 3.18Å; Q488-F533 HydrophobicContact CG-CE1 4Å; Q488-F533 HydrophobicContact CG-CE2 3.89Å; Q488-F533 HydrophobicContact CG-CZ 3.22Å; Q488-F533 VanDerWaalsContact O-CE2 3.29Å; Q488-F533 WeakPolarHBondContact O-CE2 3.41Å
489	E	96.6	Very high	95.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.019	26%	0.259	C	S	.	.	H	α-helix	trans	-71.9	-29.6	175.6	-77.5	168.5	140	0	0	112.1	H452 A454 S455 F473 P478 T486 F492 S493	H452-E489 IonicContact CE1-OE1 2.68Å; H452-E489 IonicContact NE2-OE1 3.19Å; H452-E489 PolarHBondContact NE2-OE1 3.04Å; A454-E489 WeakPolarHBondContact CA-OE1 3.47Å; S455-E489 WeakPolarHBondContact CB-OE2 3.26Å; S455-E489 PolarHBondContact N-OE1 3.22Å; S455-E489 PolarHBondContact OG-OE1 2.62Å; S455-E489 PolarHBondContact OG-OE2 2.61Å; F473-E489 HydrophobicContact CE1-CB 3.93Å; F473-E489 HydrophobicContact CE1-CG 3.94Å; F473-E489 HydrophobicContact CZ-CG 4.35Å; P478-E489 HydrophobicContact CG-CB 4.5Å; T486-E489 PolarHBondContact N-OE2 2.85Å; T486-E489 WeakPolarHBondContact O-CA 3.38Å; T486-E489 WeakPolarHBondContact O-CB 3.09Å; T486-E489 PolarHBondContact O-N 3.32Å; T486-E489 WeakPolarHBondContact OG1-CB 3.5Å; T486-E489 VanDerWaalsContact OG1-CD 3.32Å; T486-E489 VanDerWaalsContact OG1-CG 3.22Å; T486-E489 WeakPolarHBondContact OG1-CG 3.36Å; T486-E489 PolarHBondContact OG1-N 3.34Å; T486-E489 PolarHBondContact OG1-OE2 3.2Å; E489-F492 PolarHBondContact O-N 3.4Å; E489-S493 WeakPolarHBondContact O-CB 3.22Å; E489-S493 PolarHBondContact O-N 2.73Å
490	E	96.1	Very high	95.8	Very high	45 Å²	45	46.5 Å²	46.5	21%	0.21	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-51.2	169.2	-63.3	178.9	-143.2	0	0	111.3	P478 L479 P482 T486 P487 Q488 F492 S493 K494	P478-E490 HydrophobicContact CB-CB 4.43Å; P478-E490 HydrophobicContact CB-CG 4.05Å; L479-E490 HydrophobicContact CD2-CB 4.11Å; P482-E490 HydrophobicContact CB-CG 4.47Å; P482-E490 WeakPolarHBondContact CB-OE1 3.49Å; T486-E490 PolarHBondContact O-N 3.36Å; T486-E490 VanDerWaalsContact O-N 3.14Å; P487-E490 WeakPolarHBondContact O-CB 2.92Å; Q488-E490 VanDerWaalsContact C-N 3.34Å; E490-F492 VanDerWaalsContact C-N 3.34Å; E490-F492 PolarHBondContact O-N 2.74Å; E490-S493 WeakPolarHBondContact O-CB 3.25Å; E490-S493 PolarHBondContact O-N 3.42Å; E490-K494 PolarHBondContact O-N 3.42Å; E490-K494 VanDerWaalsContact O-N 3.09Å
491	E	94.9	Very high	96	Very high	104 Å²	104	45 Å²	45	49%	0.486	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-39.3	176.9	-70	-59	126	0	0	112.3	P487 Q488 S493 K494 E495	P487-E491 PolarHBondContact O-N 3.34Å; Q488-E491 PolarHBondContact O-N 2.74Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 2.92Å; E491-K494 PolarHBondContact O-N 2.64Å; E491-K494 IonicContact OE1-NZ 2.69Å; E491-K494 PolarHBondContact OE1-NZ 3.28Å; E491-E495 PolarHBondContact O-N 2.89Å; E491-E495 VanDerWaalsContact O-N 3.11Å
492	F	95.9	Very high	96.1	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-39.5	175.3	-174.8	-127.3	0	0	0	111.9	F450 H452 F473 Q488 E489 E490 K494 E495 I496 L531 F533	F450-F492 HydrophobicContact CD2-CZ 4.39Å; F450-F492 AromaticContact CE2-CE1 3.54Å; F450-F492 HydrophobicContact CE2-CE1 3.54Å; F450-F492 AromaticContact CE2-CZ 3.62Å; F450-F492 HydrophobicContact CE2-CZ 3.62Å; F450-F492 AromaticContact CZ-CE1 3.73Å; F450-F492 HydrophobicContact CZ-CE1 3.73Å; F450-F492 HydrophobicContact CZ-CZ 4.25Å; H452-F492 HydrophobicContact CB-CD1 4.45Å; H452-F492 HydrophobicContact CB-CE1 3.64Å; H452-F492 HydrophobicContact CB-CZ 4.07Å; H452-F492 AromaticContact CD2-CD1 3.92Å; H452-F492 AromaticContact CD2-CE1 3.86Å; H452-F492 AromaticContact CG-CE1 3.85Å; F473-F492 AromaticContact CD1-CD1 3.64Å; F473-F492 HydrophobicContact CD1-CD1 3.64Å; F473-F492 HydrophobicContact CD1-CE1 4.23Å; F473-F492 AromaticContact CE1-CD1 3.82Å; F473-F492 HydrophobicContact CE1-CD1 3.82Å; F473-F492 HydrophobicContact CE1-CE1 4.45Å; F473-F492 HydrophobicContact CG-CD1 4.18Å; F473-F492 HydrophobicContact CG-CE1 4.33Å; F473-F492 HydrophobicContact CZ-CD1 4.48Å; Q488-F492 PolarHBondContact O-N 2.68Å; E489-F492 PolarHBondContact O-N 3.4Å; E490-F492 VanDerWaalsContact C-N 3.34Å; E490-F492 PolarHBondContact O-N 2.74Å; F492-K494 PolarHBondContact O-N 2.98Å; F492-E495 WeakPolarHBondContact O-CB 3.32Å; F492-E495 PolarHBondContact O-N 3.47Å; F492-I496 HydrophobicContact CD2-CG1 4.46Å; F492-I496 HydrophobicContact CE1-CG1 4.3Å; F492-I496 HydrophobicContact CE2-CD1 3.98Å; F492-I496 HydrophobicContact CE2-CG1 4.2Å; F492-I496 HydrophobicContact CZ-CD1 3.9Å; F492-I496 HydrophobicContact CZ-CG1 4.11Å; F492-I496 WeakPolarHBondContact O-CG1 3.43Å; F492-I496 PolarHBondContact O-N 3.43Å; F492-L531 HydrophobicContact CZ-CB 4.36Å; F492-F533 HydrophobicContact CB-CD2 4.18Å
493	S	97	Very high	96.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-40.9	175.7	-176.5	0	0	0	0	112.3	F473 G476 E489 E490 E491 E495 I496 I497	F473-S493 PolarHBondContact O-OG 2.87Å; G476-S493 WeakPolarHBondContact CA-OG 3.46Å; E489-S493 WeakPolarHBondContact O-CB 3.22Å; E489-S493 PolarHBondContact O-N 2.73Å; E490-S493 WeakPolarHBondContact O-CB 3.25Å; E490-S493 PolarHBondContact O-N 3.42Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 2.92Å; S493-E495 VanDerWaalsContact C-N 3.31Å; S493-E495 PolarHBondContact O-N 2.89Å; S493-I496 PolarHBondContact O-N 3.28Å; S493-I497 WeakPolarHBondContact O-CB 3.42Å; S493-I497 VanDerWaalsContact O-CG1 3.31Å; S493-I497 WeakPolarHBondContact O-CG1 3.3Å; S493-I497 PolarHBondContact O-N 3.19Å
494	K	96.2	Very high	96.8	Very high	61 Å²	61	34.5 Å²	34.5	27%	0.265	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-42.1	172.7	-65	177.2	-172.8	163	0	112.1	E163 L479 E490 E491 F492 I497 K498	E163-K494 HydrophobicContact CG-CG 4.3Å; L479-K494 HydrophobicContact CD1-CG 3.95Å; L479-K494 HydrophobicContact CD2-CD 4.41Å; L479-K494 HydrophobicContact CD2-CG 3.86Å; E490-K494 PolarHBondContact O-N 3.42Å; E490-K494 VanDerWaalsContact O-N 3.09Å; E491-K494 PolarHBondContact O-N 2.64Å; E491-K494 IonicContact OE1-NZ 2.69Å; E491-K494 PolarHBondContact OE1-NZ 3.28Å; F492-K494 PolarHBondContact O-N 2.98Å; K494-I497 PolarHBondContact O-N 3.21Å; K494-K498 VanDerWaalsContact O-CB 3.31Å; K494-K498 WeakPolarHBondContact O-CB 3.41Å; K494-K498 PolarHBondContact O-N 3.17Å
495	E	95.2	Very high	96.9	Very high	52 Å²	52	32.3 Å²	32.3	24%	0.243	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-46.8	175.8	-68.2	179.8	163.4	0	0	111.9	E491 F492 S493 K498 Y499 K536	E491-E495 PolarHBondContact O-N 2.89Å; E491-E495 VanDerWaalsContact O-N 3.11Å; F492-E495 WeakPolarHBondContact O-CB 3.32Å; F492-E495 PolarHBondContact O-N 3.47Å; S493-E495 VanDerWaalsContact C-N 3.31Å; S493-E495 PolarHBondContact O-N 2.89Å; E495-K498 WeakPolarHBondContact O-CB 3.33Å; E495-K498 PolarHBondContact O-N 3.39Å; E495-Y499 HydrophobicContact CB-CE2 4.12Å; E495-Y499 WeakPolarHBondContact O-CD2 3.3Å; E495-Y499 VanDerWaalsContact O-CG 3.25Å; E495-Y499 PolarHBondContact O-N 3.46Å; E495-K536 IonicContact OE1-NZ 3.65Å; E495-K536 PolarHBondContact OE1-NZ 3.45Å; E495-K536 WeakPolarHBondContact OE2-CE 3.43Å; E495-K536 IonicContact OE2-NZ 2.83Å; E495-K536 PolarHBondContact OE2-NZ 3.21Å
496	I	97.3	Very high	96.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-48	178	-63.4	-61	0	0	0	110.9	F450 F473 V474 F492 S493 K498 Y499 W500 L531	F450-I496 HydrophobicContact CE2-CD1 4.3Å; F473-I496 HydrophobicContact CB-CB 4.37Å; F473-I496 HydrophobicContact CB-CG1 4.16Å; F473-I496 HydrophobicContact CB-CG2 4.41Å; V474-I496 HydrophobicContact CB-CG2 4.4Å; V474-I496 HydrophobicContact CG2-CG2 3.72Å; F492-I496 HydrophobicContact CD2-CG1 4.46Å; F492-I496 HydrophobicContact CE1-CG1 4.3Å; F492-I496 HydrophobicContact CE2-CD1 3.98Å; F492-I496 HydrophobicContact CE2-CG1 4.2Å; F492-I496 HydrophobicContact CZ-CD1 3.9Å; F492-I496 HydrophobicContact CZ-CG1 4.11Å; F492-I496 WeakPolarHBondContact O-CG1 3.43Å; F492-I496 PolarHBondContact O-N 3.43Å; S493-I496 PolarHBondContact O-N 3.28Å; I496-K498 VanDerWaalsContact C-N 3.28Å; I496-K498 PolarHBondContact O-N 3.38Å; I496-Y499 HydrophobicContact CD1-CD2 4.21Å; I496-Y499 HydrophobicContact CD1-CE2 4.46Å; I496-Y499 PolarHBondContact O-N 2.92Å; I496-Y499 VanDerWaalsContact O-N 3.13Å; I496-W500 HydrophobicContact CG2-CD2 4.39Å; I496-W500 HydrophobicContact CG2-CE3 3.99Å; I496-W500 HydrophobicContact CG2-CH2 4.48Å; I496-W500 HydrophobicContact CG2-CZ3 4.05Å; I496-W500 PolarHBondContact O-N 2.88Å; I496-L531 HydrophobicContact CD1-CB 4.46Å; I496-L531 HydrophobicContact CD1-CD1 3.79Å; I496-L531 HydrophobicContact CD1-CD2 4.15Å; I496-L531 HydrophobicContact CD1-CG 4.38Å
497	I	98.3	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-45.2	175.4	-72.8	166.9	0	0	0	110.7	L160 E163 V474 L479 S493 K494 Y499 W500 T501	L160-I497 HydrophobicContact CD1-CB 4.29Å; L160-I497 HydrophobicContact CD1-CG1 4.03Å; L160-I497 HydrophobicContact CD1-CG2 3.78Å; E163-I497 HydrophobicContact CB-CD1 4.19Å; E163-I497 HydrophobicContact CB-CG2 3.88Å; E163-I497 HydrophobicContact CG-CB 4.31Å; E163-I497 HydrophobicContact CG-CD1 4.25Å; E163-I497 HydrophobicContact CG-CG2 3.78Å; V474-I497 WeakPolarHBondContact O-CG1 3.49Å; L479-I497 HydrophobicContact CD1-CD1 3.72Å; S493-I497 WeakPolarHBondContact O-CB 3.42Å; S493-I497 VanDerWaalsContact O-CG1 3.31Å; S493-I497 WeakPolarHBondContact O-CG1 3.3Å; S493-I497 PolarHBondContact O-N 3.19Å; K494-I497 PolarHBondContact O-N 3.21Å; I497-Y499 PolarHBondContact O-N 3.31Å; I497-W500 PolarHBondContact O-N 3.15Å; I497-T501 HydrophobicContact CG2-CG2 4.14Å; I497-T501 WeakPolarHBondContact O-CB 3.14Å; I497-T501 VanDerWaalsContact O-CG2 3.25Å; I497-T501 WeakPolarHBondContact O-CG2 3.49Å; I497-T501 PolarHBondContact O-N 3.05Å; I497-T501 PolarHBondContact O-OG1 2.67Å
498	K	97.2	Very high	97	Very high	92 Å²	92	33.2 Å²	33.2	40%	0.4	16%	0.163	S	C	.	.	H	α-helix	trans	-61.2	-43.1	177.9	-177.3	64.6	178.2	162	0	111.5	K494 E495 I496 T501 T502 E510	K494-K498 VanDerWaalsContact O-CB 3.31Å; K494-K498 WeakPolarHBondContact O-CB 3.41Å; K494-K498 PolarHBondContact O-N 3.17Å; E495-K498 WeakPolarHBondContact O-CB 3.33Å; E495-K498 PolarHBondContact O-N 3.39Å; I496-K498 VanDerWaalsContact C-N 3.28Å; I496-K498 PolarHBondContact O-N 3.38Å; K498-T501 PolarHBondContact O-OG1 3.33Å; K498-T502 HydrophobicContact CD-CG2 3.69Å; K498-T502 VanDerWaalsContact CE-CG2 3.49Å; K498-T502 HydrophobicContact CG-CG2 4.34Å; K498-T502 VanDerWaalsContact O-CB 3.31Å; K498-T502 WeakPolarHBondContact O-CB 3.26Å; K498-T502 WeakPolarHBondContact O-CG2 3.16Å; K498-T502 PolarHBondContact O-N 2.94Å; K498-T502 PolarHBondContact O-OG1 3.18Å; K498-E510 VanDerWaalsContact CE-OE2 3.32Å; K498-E510 WeakPolarHBondContact CE-OE2 3.38Å; K498-E510 IonicContact NZ-OE2 3.31Å; K498-E510 PolarHBondContact NZ-OE2 2.71Å
499	Y	97.7	Very high	97.2	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-47	176.6	-59.9	-34.8	0	0	0	112	E495 I496 I497 T502 F503 P509 E510 V511 W518 L531	E495-Y499 HydrophobicContact CB-CE2 4.12Å; E495-Y499 WeakPolarHBondContact O-CD2 3.3Å; E495-Y499 VanDerWaalsContact O-CG 3.25Å; E495-Y499 PolarHBondContact O-N 3.46Å; I496-Y499 HydrophobicContact CD1-CD2 4.21Å; I496-Y499 HydrophobicContact CD1-CE2 4.46Å; I496-Y499 PolarHBondContact O-N 2.92Å; I496-Y499 VanDerWaalsContact O-N 3.13Å; I497-Y499 PolarHBondContact O-N 3.31Å; Y499-T502 PolarHBondContact O-OG1 3.42Å; Y499-F503 WeakPolarHBondContact O-CB 3.44Å; Y499-F503 PolarHBondContact O-N 3.39Å; Y499-P509 HydrophobicContact CD1-CB 4.48Å; Y499-E510 VanDerWaalsContact CD1-O 3.25Å; Y499-E510 WeakPolarHBondContact CD1-O 3.49Å; Y499-E510 WeakPolarHBondContact CE1-O 3.44Å; Y499-V511 HydrophobicContact CD1-CG1 4.48Å; Y499-V511 HydrophobicContact CE1-CB 4.35Å; Y499-V511 HydrophobicContact CE1-CG1 3.78Å; Y499-W518 HydrophobicContact CD1-CE3 4.28Å; Y499-W518 HydrophobicContact CD1-CZ3 4.34Å; Y499-W518 HydrophobicContact CD2-CE3 4.34Å; Y499-W518 AromaticContact CD2-CZ3 3.78Å; Y499-W518 HydrophobicContact CD2-CZ3 3.78Å; Y499-W518 HydrophobicContact CG-CE3 4.1Å; Y499-W518 AromaticContact CG-CZ3 3.7Å; Y499-W518 HydrophobicContact CG-CZ3 3.7Å; Y499-L531 HydrophobicContact CD2-CD2 4.09Å; Y499-L531 HydrophobicContact CE2-CD2 3.78Å
500	W	98.6	Very high	97.1	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-47.6	-178.4	-95	-127.5	0	0	0	111.3	F221 I247 Q249 Y448 V474 I496 I497 A504 W518 L531	F221-W500 AromaticContact CD2-CD1 3.99Å; I247-W500 HydrophobicContact CD1-CB 4.08Å; I247-W500 VanDerWaalsContact CD1-CD1 3.4Å; I247-W500 HydrophobicContact CD1-CD2 4.16Å; I247-W500 HydrophobicContact CD1-CG 3.62Å; I247-W500 HydrophobicContact CG2-CZ2 4.02Å; Q249-W500 HydrophobicContact CG-CZ2 4.45Å; Y448-W500 AromaticContact CD1-CH2 3.59Å; Y448-W500 HydrophobicContact CD1-CH2 3.59Å; Y448-W500 HydrophobicContact CD1-CZ2 4.23Å; Y448-W500 HydrophobicContact CD1-CZ3 4.41Å; Y448-W500 AromaticContact CE1-CH2 3.26Å; Y448-W500 HydrophobicContact CE1-CH2 3.26Å; Y448-W500 AromaticContact CE1-CZ2 3.46Å; Y448-W500 HydrophobicContact CE1-CZ2 3.46Å; Y448-W500 VanDerWaalsContact CE1-CZ2 3.46Å; Y448-W500 HydrophobicContact CE1-CZ3 4.41Å; Y448-W500 HydrophobicContact CE2-CH2 4.38Å; Y448-W500 HydrophobicContact CG-CH2 4.27Å; Y448-W500 AromaticContact CZ-CH2 3.7Å; Y448-W500 AromaticContact CZ-CZ2 3.79Å; V474-W500 HydrophobicContact CG1-CG 4.21Å; V474-W500 HydrophobicContact CG2-CD2 4.43Å; V474-W500 HydrophobicContact CG2-CZ2 3.98Å; I496-W500 HydrophobicContact CG2-CD2 4.39Å; I496-W500 HydrophobicContact CG2-CE3 3.99Å; I496-W500 HydrophobicContact CG2-CH2 4.48Å; I496-W500 HydrophobicContact CG2-CZ3 4.05Å; I496-W500 PolarHBondContact O-N 2.88Å; I497-W500 PolarHBondContact O-N 3.15Å; W500-A504 VanDerWaalsContact O-CB 3.25Å; W500-A504 WeakPolarHBondContact O-CB 3.5Å; W500-A504 PolarHBondContact O-N 3.12Å; W500-W518 HydrophobicContact CZ3-CH2 4.28Å; W500-L531 HydrophobicContact CH2-CD1 4.32Å; W500-L531 HydrophobicContact CZ3-CD1 4.27Å
501	T	98.6	Very high	96.9	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-72	-36.9	-174.8	54.5	0	0	0	0	113.4	L137 L160 V166 I497 K498 A504 T505	L137-T501 HydrophobicContact CD2-CG2 4.39Å; L160-T501 HydrophobicContact CD1-CG2 3.79Å; V166-T501 HydrophobicContact CG1-CG2 4.04Å; V166-T501 HydrophobicContact CG2-CG2 3.7Å; I497-T501 HydrophobicContact CG2-CG2 4.14Å; I497-T501 WeakPolarHBondContact O-CB 3.14Å; I497-T501 VanDerWaalsContact O-CG2 3.25Å; I497-T501 WeakPolarHBondContact O-CG2 3.49Å; I497-T501 PolarHBondContact O-N 3.05Å; I497-T501 PolarHBondContact O-OG1 2.67Å; K498-T501 PolarHBondContact O-OG1 3.33Å; T501-A504 PolarHBondContact O-N 3.41Å; T501-T505 WeakPolarHBondContact O-CB 3.43Å; T501-T505 PolarHBondContact O-N 2.95Å; T501-T505 PolarHBondContact O-OG1 3.33Å
502	T	98.2	Very high	96.6	Very high	10 Å²	10	32.1 Å²	32.1	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-74.2	-36.8	177.3	56.1	0	0	0	0	112.2	K498 Y499 T505 S506 K508 E510	K498-T502 HydrophobicContact CD-CG2 3.69Å; K498-T502 VanDerWaalsContact CE-CG2 3.49Å; K498-T502 HydrophobicContact CG-CG2 4.34Å; K498-T502 VanDerWaalsContact O-CB 3.31Å; K498-T502 WeakPolarHBondContact O-CB 3.26Å; K498-T502 WeakPolarHBondContact O-CG2 3.16Å; K498-T502 PolarHBondContact O-N 2.94Å; K498-T502 PolarHBondContact O-OG1 3.18Å; Y499-T502 PolarHBondContact O-OG1 3.42Å; T502-T505 PolarHBondContact O-N 2.74Å; T502-S506 WeakPolarHBondContact O-CB 3.37Å; T502-S506 PolarHBondContact O-N 3.21Å; T502-S506 PolarHBondContact O-OG 2.95Å; T502-K508 CarbonylContact C-O 3.59Å; T502-E510 HydrophobicContact CG2-CB 3.89Å; T502-E510 HydrophobicContact CG2-CG 3.91Å; T502-E510 VanDerWaalsContact CG2-OE2 3.3Å; T502-E510 WeakPolarHBondContact CG2-OE2 3.3Å; T502-E510 PolarHBondContact OG1-N 3.19Å
503	F	98.6	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-49	168.4	172.9	-95.2	0	0	0	111.3	N245 G246 I247 N343 L344 I345 Y446 Y499 T505 S506 G507 K508 P509	N245-F503 HydrophobicContact CB-CE1 3.89Å; N245-F503 HydrophobicContact CB-CZ 4.23Å; N245-F503 PolarHBondContact ND2-O 3.38Å; G246-F503 VanDerWaalsContact O-CE1 3.26Å; G246-F503 WeakPolarHBondContact O-CE1 3.25Å; G246-F503 WeakPolarHBondContact O-CZ 3.3Å; I247-F503 HydrophobicContact CD1-CD1 3.79Å; I247-F503 HydrophobicContact CD1-CE1 4.3Å; I247-F503 HydrophobicContact CG1-CD1 3.57Å; I247-F503 HydrophobicContact CG1-CE1 3.57Å; N343-F503 HydrophobicContact CB-CE2 3.94Å; N343-F503 HydrophobicContact CB-CZ 4.03Å; N343-F503 WeakPolarHBondContact O-CZ 3.18Å; L344-F503 VanDerWaalsContact C-CZ 3.42Å; I345-F503 HydrophobicContact CB-CE1 4.44Å; I345-F503 HydrophobicContact CB-CZ 4.46Å; I345-F503 HydrophobicContact CD1-CB 3.69Å; I345-F503 HydrophobicContact CD1-CD1 3.66Å; I345-F503 HydrophobicContact CD1-CD2 3.85Å; I345-F503 HydrophobicContact CD1-CE1 4.24Å; I345-F503 HydrophobicContact CD1-CE2 4.41Å; I345-F503 HydrophobicContact CD1-CG 3.42Å; I345-F503 VanDerWaalsContact CD1-CG 3.42Å; I345-F503 HydrophobicContact CG1-CB 4.45Å; I345-F503 HydrophobicContact CG1-CD1 3.84Å; I345-F503 HydrophobicContact CG1-CD2 3.65Å; I345-F503 HydrophobicContact CG1-CE1 3.92Å; I345-F503 HydrophobicContact CG1-CE2 3.74Å; I345-F503 HydrophobicContact CG1-CG 3.69Å; I345-F503 HydrophobicContact CG1-CZ 3.86Å; Y446-F503 HydrophobicContact CD2-CD2 4.22Å; Y446-F503 HydrophobicContact CD2-CE2 4.04Å; Y446-F503 HydrophobicContact CE2-CE2 4.5Å; Y499-F503 WeakPolarHBondContact O-CB 3.44Å; Y499-F503 PolarHBondContact O-N 3.39Å; F503-T505 PolarHBondContact O-N 3.47Å; F503-T505 VanDerWaalsContact O-N 3.12Å; F503-S506 PolarHBondContact O-N 2.9Å; F503-G507 VanDerWaalsContact CD2-C 3.48Å; F503-G507 VanDerWaalsContact O-CA 3.28Å; F503-G507 WeakPolarHBondContact O-CA 3.46Å; F503-G507 PolarHBondContact O-N 2.91Å; F503-K508 PolarHBondContact N-O 3.2Å; F503-P509 HydrophobicContact CB-CG 4.22Å; F503-P509 HydrophobicContact CD2-CG 4.27Å
504	A	98.6	Very high	95.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-54.4	-36.5	177.8	0	0	0	0	0	112.2	T135 L137 C219 N245 W500 T501	T135-A504 HydrophobicContact CG2-CB 3.85Å; L137-A504 HydrophobicContact CD1-CB 3.41Å; L137-A504 VanDerWaalsContact CD1-CB 3.41Å; L137-A504 HydrophobicContact CD2-CB 4.29Å; L137-A504 HydrophobicContact CG-CB 3.8Å; C219-A504 HydrophobicContact CB-CB 3.42Å; C219-A504 VanDerWaalsContact CB-CB 3.42Å; N245-A504 PolarHBondContact ND2-O 3.33Å; W500-A504 VanDerWaalsContact O-CB 3.25Å; W500-A504 WeakPolarHBondContact O-CB 3.5Å; W500-A504 PolarHBondContact O-N 3.12Å; T501-A504 PolarHBondContact O-N 3.41Å
505	T	97.7	Very high	95.2	Very high	63 Å²	63	46.9 Å²	46.9	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-79.3	-40.2	-178.9	-59.2	0	0	0	0	113.8	T135 T501 T502 F503	T135-T505 WeakPolarHBondContact CB-OG1 3.41Å; T135-T505 WeakPolarHBondContact OG1-CB 3.38Å; T135-T505 WeakPolarHBondContact OG1-CG2 3.25Å; T135-T505 PolarHBondContact OG1-OG1 3.33Å; T501-T505 WeakPolarHBondContact O-CB 3.43Å; T501-T505 PolarHBondContact O-N 2.95Å; T501-T505 PolarHBondContact O-OG1 3.33Å; T502-T505 PolarHBondContact O-N 2.74Å; F503-T505 PolarHBondContact O-N 3.47Å; F503-T505 VanDerWaalsContact O-N 3.12Å
506	S	96.5	Very high	95	Very high	64 Å²	64	47.9 Å²	47.9	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-121.9	-9.2	-165.8	72.7	0	0	0	0	115.1	T502 F503 K508	T502-S506 WeakPolarHBondContact O-CB 3.37Å; T502-S506 PolarHBondContact O-N 3.21Å; T502-S506 PolarHBondContact O-OG 2.95Å; F503-S506 PolarHBondContact O-N 2.9Å; S506-K508 PolarHBondContact O-N 3.39Å; S506-K508 PolarHBondContact OG-N 3.04Å; S506-K508 PolarHBondContact OG-O 2.91Å
507	G	96.7	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	72.1	13	-169.1	0	0	0	0	0	114	Y446 F503	Y446-G507 VanDerWaalsContact CE2-O 3.28Å; Y446-G507 WeakPolarHBondContact CE2-O 3.47Å; F503-G507 VanDerWaalsContact CD2-C 3.48Å; F503-G507 VanDerWaalsContact O-CA 3.28Å; F503-G507 WeakPolarHBondContact O-CA 3.46Å; F503-G507 PolarHBondContact O-N 2.91Å
508	K	97	Very high	94.7	Very high	113 Å²	113	52.5 Å²	52.5	49%	0.491	30%	0.299	S	S	.	.	S	Bend	trans	-140.2	127.5	177.5	176	173.7	177.8	-177.2	0	111.1	Y446 T502 F503 S506 E510	Y446-K508 WeakPolarHBondContact OH-CG 3.36Å; T502-K508 CarbonylContact C-O 3.59Å; F503-K508 PolarHBondContact N-O 3.2Å; S506-K508 PolarHBondContact O-N 3.39Å; S506-K508 PolarHBondContact OG-N 3.04Å; S506-K508 PolarHBondContact OG-O 2.91Å; K508-E510 PolarHBondContact O-N 3.07Å
509	P	97.5	Very high	94.7	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.026	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-66.8	127.1	172.7	-14.8	29.1	0	0	0	110.8	I345 Y446 Y499 F503 W518	I345-P509 HydrophobicContact CD1-CG 4.05Å; I345-P509 HydrophobicContact CG1-CG 4.47Å; Y446-P509 HydrophobicContact CD1-CG 4.15Å; Y446-P509 HydrophobicContact CD2-CG 4.3Å; Y446-P509 HydrophobicContact CG-CG 4.01Å; Y499-P509 HydrophobicContact CD1-CB 4.48Å; F503-P509 HydrophobicContact CB-CG 4.22Å; F503-P509 HydrophobicContact CD2-CG 4.27Å; P509-W518 HydrophobicContact CB-CD2 4Å; P509-W518 HydrophobicContact CB-CE3 3.58Å; P509-W518 HydrophobicContact CB-CG 4.48Å; P509-W518 HydrophobicContact CB-CZ3 4.02Å; P509-W518 HydrophobicContact CG-CD2 3.89Å; P509-W518 HydrophobicContact CG-CE3 3.91Å; P509-W518 HydrophobicContact CG-CG 4.33Å; P509-W518 HydrophobicContact CG-CH2 4.5Å; P509-W518 HydrophobicContact CG-CZ2 4.49Å; P509-W518 HydrophobicContact CG-CZ3 4.24Å
510	E	95.5	Very high	94.7	Very high	98 Å²	98	53 Å²	53	46%	0.458	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-86.2	125.5	172.8	-70.2	-178.2	166.9	0	0	110.9	K498 Y499 T502 K508	K498-E510 VanDerWaalsContact CE-OE2 3.32Å; K498-E510 WeakPolarHBondContact CE-OE2 3.38Å; K498-E510 IonicContact NZ-OE2 3.31Å; K498-E510 PolarHBondContact NZ-OE2 2.71Å; Y499-E510 VanDerWaalsContact CD1-O 3.25Å; Y499-E510 WeakPolarHBondContact CD1-O 3.49Å; Y499-E510 WeakPolarHBondContact CE1-O 3.44Å; T502-E510 HydrophobicContact CG2-CB 3.89Å; T502-E510 HydrophobicContact CG2-CG 3.91Å; T502-E510 VanDerWaalsContact CG2-OE2 3.3Å; T502-E510 WeakPolarHBondContact CG2-OE2 3.3Å; T502-E510 PolarHBondContact OG1-N 3.19Å; K508-E510 PolarHBondContact O-N 3.07Å
511	V	92.8	Very high	94.6	Very high	38 Å²	38	53 Å²	53	23%	0.23	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-99.5	151.6	169.1	-58.5	0	0	0	0	110.9	Y499 W518 F529	Y499-V511 HydrophobicContact CD1-CG1 4.48Å; Y499-V511 HydrophobicContact CE1-CB 4.35Å; Y499-V511 HydrophobicContact CE1-CG1 3.78Å; V511-W518 HydrophobicContact CG1-CB 4.07Å; V511-F529 HydrophobicContact CG1-CZ 4.48Å
512	P	86.8	Confident	94.5	Very high	66 Å²	66	55 Å²	55	43%	0.429	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-54.9	145.6	173.2	-25	33.5	0	0	0	112.4	G514 T515	P512-G514 PolarHBondContact O-N 3.21Å; P512-T515 HydrophobicContact CB-CG2 3.92Å; P512-T515 HydrophobicContact CG-CG2 4.46Å; P512-T515 PolarHBondContact O-N 2.91Å; P512-T515 PolarHBondContact O-OG1 3.31Å
513	K	86.7	Confident	94.4	Very high	216 Å²	216	57.9 Å²	57.9	94%	0.939	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	136.6	178.4	-70.4	-176.9	179.6	177.9	0	110.6	T515	K513-T515 VanDerWaalsContact C-N 3.31Å
514	G	85.6	Confident	94.2	Very high	89 Å²	89	61.4 Å²	61.4	92%	0.918	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	2.8	179.3	0	0	0	0	0	114.9	P512	P512-G514 PolarHBondContact O-N 3.21Å
515	T	88	Confident	94.1	Very high	69 Å²	69	67.2 Å²	67.2	42%	0.423	39%	0.387	S	S	.	.	S	Bend	trans	-98.8	173.5	172.1	71.2	0	0	0	0	111.6	P512 K513 S517	P512-T515 HydrophobicContact CB-CG2 3.92Å; P512-T515 HydrophobicContact CG-CG2 4.46Å; P512-T515 PolarHBondContact O-N 2.91Å; P512-T515 PolarHBondContact O-OG1 3.31Å; K513-T515 VanDerWaalsContact C-N 3.31Å; T515-S517 PolarHBondContact O-N 3.27Å
516	L	91.6	Very high	94	Very high	74 Å²	74	65.3 Å²	65.3	39%	0.387	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-59.3	121.9	176.6	-173.3	66.1	0	0	0	110.2	F529 K536 I538	L516-F529 HydrophobicContact CB-CE2 4.32Å; L516-F529 HydrophobicContact CD2-CE2 3.94Å; L516-F529 HydrophobicContact CG-CE2 3.99Å; L516-K536 HydrophobicContact CD2-CB 4.17Å; L516-K536 VanDerWaalsContact CD2-O 3.29Å; L516-K536 WeakPolarHBondContact CD2-O 3.17Å; L516-I538 HydrophobicContact CD1-CD1 4.4Å; L516-I538 HydrophobicContact CD1-CG1 4.11Å; L516-I538 HydrophobicContact CD2-CD1 3.7Å; L516-I538 HydrophobicContact CD2-CG1 3.91Å; L516-I538 HydrophobicContact CG-CD1 3.96Å; L516-I538 HydrophobicContact CG-CG1 4.19Å
517	S	93.4	Very high	94.1	Very high	86 Å²	86	63.1 Å²	63.1	60%	0.601	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-66	137.3	176.2	-64.7	0	0	0	0	111.1	T515 P519	T515-S517 PolarHBondContact O-N 3.27Å; S517-P519 WeakPolarHBondContact O-CD 3.14Å
518	W	96.4	Very high	94.2	Very high	11 Å²	11	63.1 Å²	63.1	4%	0.042	36%	0.356	C	S	.	.			trans	-74.2	110.2	168.8	-165.8	-31.4	0	0	0	109.1	I345 Y446 V447 Y448 Y499 W500 P509 V511 F529 L531	I345-W518 HydrophobicContact CD1-CH2 4.45Å; I345-W518 HydrophobicContact CG2-CZ2 4.47Å; Y446-W518 AromaticContact CD1-CD1 3.64Å; Y446-W518 HydrophobicContact CD1-CG 4.23Å; Y446-W518 AromaticContact CD1-NE1 3.91Å; V447-W518 PolarHBondContact O-NE1 2.81Å; Y448-W518 HydrophobicContact CD1-CH2 4.27Å; Y448-W518 HydrophobicContact CD1-CZ2 4.4Å; Y448-W518 HydrophobicContact CG-CH2 4.44Å; Y499-W518 HydrophobicContact CD1-CE3 4.28Å; Y499-W518 HydrophobicContact CD1-CZ3 4.34Å; Y499-W518 HydrophobicContact CD2-CE3 4.34Å; Y499-W518 AromaticContact CD2-CZ3 3.78Å; Y499-W518 HydrophobicContact CD2-CZ3 3.78Å; Y499-W518 HydrophobicContact CG-CE3 4.1Å; Y499-W518 AromaticContact CG-CZ3 3.7Å; Y499-W518 HydrophobicContact CG-CZ3 3.7Å; W500-W518 HydrophobicContact CZ3-CH2 4.28Å; P509-W518 HydrophobicContact CB-CD2 4Å; P509-W518 HydrophobicContact CB-CE3 3.58Å; P509-W518 HydrophobicContact CB-CG 4.48Å; P509-W518 HydrophobicContact CB-CZ3 4.02Å; P509-W518 HydrophobicContact CG-CD2 3.89Å; P509-W518 HydrophobicContact CG-CE3 3.91Å; P509-W518 HydrophobicContact CG-CG 4.33Å; P509-W518 HydrophobicContact CG-CH2 4.5Å; P509-W518 HydrophobicContact CG-CZ2 4.49Å; P509-W518 HydrophobicContact CG-CZ3 4.24Å; V511-W518 HydrophobicContact CG1-CB 4.07Å; W518-F529 HydrophobicContact CB-CD2 4.08Å; W518-F529 HydrophobicContact CB-CE2 4.29Å; W518-F529 HydrophobicContact CB-CG 4.27Å; W518-F529 HydrophobicContact CD2-CB 3.81Å; W518-F529 AromaticContact CD2-CD1 3.87Å; W518-F529 HydrophobicContact CD2-CD1 3.87Å; W518-F529 AromaticContact CD2-CG 3.85Å; W518-F529 HydrophobicContact CD2-CG 3.85Å; W518-F529 AromaticContact CE3-CD1 3.82Å; W518-F529 HydrophobicContact CE3-CD1 3.82Å; W518-F529 HydrophobicContact CE3-CE1 4.25Å; W518-F529 HydrophobicContact CE3-CG 4.28Å; W518-F529 HydrophobicContact CG-CB 3.84Å; W518-F529 HydrophobicContact CG-CD1 4.24Å; W518-F529 HydrophobicContact CG-CD2 4.06Å; W518-F529 AromaticContact CG-CG 3.81Å; W518-F529 HydrophobicContact CG-CG 3.81Å; W518-F529 HydrophobicContact CZ2-CB 4.31Å; W518-F529 HydrophobicContact CZ3-CD1 4.32Å; W518-L531 HydrophobicContact CH2-CD1 4.29Å; W518-L531 HydrophobicContact CZ3-CD2 4.36Å
519	P	96.5	Very high	94.2	Very high	24 Å²	24	57.9 Å²	57.9	16%	0.156	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-73.5	145.9	-176.8	31.2	-34.4	0	0	0	110.9	Y446 S517 Y521 E527 I538	Y446-P519 WeakPolarHBondContact CD1-O 3.31Å; S517-P519 WeakPolarHBondContact O-CD 3.14Å; P519-Y521 PolarHBondContact O-N 3.47Å; P519-E527 HydrophobicContact CB-CB 4.16Å; P519-E527 HydrophobicContact CG-CB 3.74Å; P519-I538 VanDerWaalsContact CD-CD1 3.44Å; P519-I538 HydrophobicContact CG-CD1 3.8Å; P519-I538 HydrophobicContact CG-CG1 4.43Å; P519-I538 HydrophobicContact CG-CG2 4.19Å
520	E	96.8	Very high	94.1	Very high	81 Å²	81	57.7 Å²	57.7	38%	0.379	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-65.9	131.7	165	-169.4	177.4	127.4	0	0	109	Y446	Y446-E520 HydrophobicContact CE1-CB 4.13Å
521	Y	97.4	Very high	94.1	Very high	3 Å²	3	53 Å²	53	1%	0.012	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-69.6	130	176.1	-165.5	-96.8	0	0	0	109.1	E435 L438 V445 V447 P519 K526 E527	E435-Y521 HydrophobicContact CG-CE1 4.03Å; E435-Y521 PolarHBondContact OE1-OH 2.93Å; L438-Y521 HydrophobicContact CD1-CD1 3.63Å; L438-Y521 HydrophobicContact CD1-CE1 4.35Å; L438-Y521 WeakPolarHBondContact CD1-O 3.39Å; V445-Y521 WeakPolarHBondContact O-CB 3.11Å; V445-Y521 PolarHBondContact O-N 2.96Å; V447-Y521 HydrophobicContact CB-CD2 3.77Å; V447-Y521 HydrophobicContact CB-CE2 4.21Å; V447-Y521 HydrophobicContact CB-CG 4.35Å; V447-Y521 HydrophobicContact CG2-CD1 4.13Å; V447-Y521 HydrophobicContact CG2-CD2 3.38Å; V447-Y521 HydrophobicContact CG2-CE2 3.81Å; V447-Y521 HydrophobicContact CG2-CG 3.56Å; P519-Y521 PolarHBondContact O-N 3.47Å; Y521-K526 HydrophobicContact CE1-CG 4.44Å; Y521-K526 VanDerWaalsContact CE2-C 3.49Å; Y521-K526 HydrophobicContact CE2-CB 3.99Å; Y521-K526 WeakPolarHBondContact OH-CB 3.4Å; Y521-E527 WeakPolarHBondContact CD2-O 3.45Å
522	T	96.6	Very high	94	Very high	44 Å²	44	55.9 Å²	55.9	27%	0.27	32%	0.319	S	S	.	.			trans	-135.6	149.4	-179.5	61.1	0	0	0	0	110.1	A524 K525 K526	T522-A524 PolarHBondContact O-N 3.29Å; T522-A524 VanDerWaalsContact O-N 3.13Å; T522-K525 PolarHBondContact O-N 2.92Å; T522-K525 WeakPolarHBondContact OG1-CB 3.49Å; T522-K525 PolarHBondContact OG1-N 3.23Å; T522-K526 WeakPolarHBondContact O-CA 2.95Å; T522-K526 PolarHBondContact O-N 3.49Å
523	L	95.2	Very high	93.7	Very high	72 Å²	72	55.2 Å²	55.2	38%	0.377	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.5	177.2	-61.1	178	0	0	0	113	E435 L438 E439	E435-L523 HydrophobicContact CB-CD2 3.73Å; E435-L523 HydrophobicContact CG-CD2 3.87Å; L438-L523 HydrophobicContact CB-CD2 4.25Å; L438-L523 HydrophobicContact CB-CG 4.13Å; L438-L523 HydrophobicContact CD1-CD2 4.43Å; E439-L523 HydrophobicContact CG-CD1 3.99Å
524	A	95.4	Very high	93.3	Very high	74 Å²	74	53.4 Å²	53.4	61%	0.612	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-44.9	179.5	0	0	0	0	0	113.1	T522 R541	T522-A524 PolarHBondContact O-N 3.29Å; T522-A524 VanDerWaalsContact O-N 3.13Å; A524-R541 PolarHBondContact O-NH2 2.92Å
525	K	95.8	Very high	93.2	Very high	123 Å²	123	52.7 Å²	52.7	54%	0.535	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-33	-173.7	-58.8	-171.7	-177.7	177.3	0	113.8	T522 E527	T522-K525 PolarHBondContact O-N 2.92Å; T522-K525 WeakPolarHBondContact OG1-CB 3.49Å; T522-K525 PolarHBondContact OG1-N 3.23Å; K525-E527 VanDerWaalsContact C-N 3.26Å; K525-E527 HydrophobicContact CB-CB 4.49Å; K525-E527 HydrophobicContact CB-CG 3.9Å; K525-E527 WeakPolarHBondContact CD-OE2 3.32Å; K525-E527 PolarHBondContact O-N 3.45Å
526	K	97	Very high	93.2	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.096	27%	0.265	C	S	.	.			trans	45.5	50.7	-174.8	-59.8	-170.1	177.6	-166.5	0	111.9	E435 Y521 T522 R541 E544	E435-K526 WeakPolarHBondContact OE1-CD 3.37Å; E435-K526 WeakPolarHBondContact OE1-CE 3.46Å; E435-K526 IonicContact OE1-NZ 2.98Å; E435-K526 PolarHBondContact OE1-NZ 3.38Å; E435-K526 IonicContact OE2-NZ 3.41Å; E435-K526 PolarHBondContact OE2-NZ 2.92Å; Y521-K526 HydrophobicContact CE1-CG 4.44Å; Y521-K526 VanDerWaalsContact CE2-C 3.49Å; Y521-K526 HydrophobicContact CE2-CB 3.99Å; Y521-K526 WeakPolarHBondContact OH-CB 3.4Å; T522-K526 WeakPolarHBondContact O-CA 2.95Å; T522-K526 PolarHBondContact O-N 3.49Å; K526-R541 HydrophobicContact CB-CG 3.93Å; K526-R541 HydrophobicContact CD-CG 4.35Å; K526-R541 PolarHBondContact O-N 3.5Å; K526-E544 WeakPolarHBondContact CE-OE1 3.48Å; K526-E544 IonicContact NZ-OE1 2.79Å; K526-E544 PolarHBondContact NZ-OE1 3.22Å
527	E	97.9	Very high	93.3	Very high	19 Å²	19	52.5 Å²	52.5	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.2	-176.3	-81.1	177.1	148.7	0	0	110.8	P519 Y521 K525 I538 E539 R540	P519-E527 HydrophobicContact CB-CB 4.16Å; P519-E527 HydrophobicContact CG-CB 3.74Å; Y521-E527 WeakPolarHBondContact CD2-O 3.45Å; K525-E527 VanDerWaalsContact C-N 3.26Å; K525-E527 HydrophobicContact CB-CB 4.49Å; K525-E527 HydrophobicContact CB-CG 3.9Å; K525-E527 WeakPolarHBondContact CD-OE2 3.32Å; K525-E527 PolarHBondContact O-N 3.45Å; E527-I538 HydrophobicContact CB-CG2 3.68Å; E527-I538 HydrophobicContact CG-CG2 3.56Å; E527-E539 CarbonylContact C-O 3.51Å; E527-E539 WeakPolarHBondContact CA-O 3.27Å; E527-R540 HydrophobicContact CG-CG 3.74Å; E527-R540 IonicContact OE1-CZ 3.39Å; E527-R540 IonicContact OE1-NE 2.63Å; E527-R540 PolarHBondContact OE1-NE 2.97Å; E527-R540 IonicContact OE1-NH2 3Å; E527-R540 PolarHBondContact OE1-NH2 2.99Å
528	S	97.6	Very high	93.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.3	176.2	-56.2	0	0	0	0	110.5	V447 I538 E539 I542	V447-S528 VanDerWaalsContact CG1-OG 3.29Å; V447-S528 WeakPolarHBondContact CG1-OG 3.32Å; V447-S528 WeakPolarHBondContact O-CA 3.4Å; S528-I538 WeakPolarHBondContact O-CA 3.26Å; S528-E539 PolarHBondContact N-O 3.19Å; S528-E539 PolarHBondContact O-N 3.32Å; S528-I542 WeakPolarHBondContact OG-CD1 3.28Å
529	F	97.2	Very high	93.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.6	178.9	-160.5	-106.5	0	0	0	110.2	V447 Y448 H449 V511 L516 W518 L531 K536 I538	V447-F529 PolarHBondContact O-N 2.88Å; Y448-F529 VanDerWaalsContact CA-O 3.29Å; Y448-F529 WeakPolarHBondContact CA-O 3.5Å; H449-F529 PolarHBondContact N-O 2.95Å; V511-F529 HydrophobicContact CG1-CZ 4.48Å; L516-F529 HydrophobicContact CB-CE2 4.32Å; L516-F529 HydrophobicContact CD2-CE2 3.94Å; L516-F529 HydrophobicContact CG-CE2 3.99Å; W518-F529 HydrophobicContact CB-CD2 4.08Å; W518-F529 HydrophobicContact CB-CE2 4.29Å; W518-F529 HydrophobicContact CB-CG 4.27Å; W518-F529 HydrophobicContact CD2-CB 3.81Å; W518-F529 AromaticContact CD2-CD1 3.87Å; W518-F529 HydrophobicContact CD2-CD1 3.87Å; W518-F529 AromaticContact CD2-CG 3.85Å; W518-F529 HydrophobicContact CD2-CG 3.85Å; W518-F529 AromaticContact CE3-CD1 3.82Å; W518-F529 HydrophobicContact CE3-CD1 3.82Å; W518-F529 HydrophobicContact CE3-CE1 4.25Å; W518-F529 HydrophobicContact CE3-CG 4.28Å; W518-F529 HydrophobicContact CG-CB 3.84Å; W518-F529 HydrophobicContact CG-CD1 4.24Å; W518-F529 HydrophobicContact CG-CD2 4.06Å; W518-F529 AromaticContact CG-CG 3.81Å; W518-F529 HydrophobicContact CG-CG 3.81Å; W518-F529 HydrophobicContact CZ2-CB 4.31Å; W518-F529 HydrophobicContact CZ3-CD1 4.32Å; F529-L531 HydrophobicContact CD1-CD2 3.49Å; F529-L531 VanDerWaalsContact CD1-CD2 3.49Å; F529-L531 HydrophobicContact CD1-CG 4.2Å; F529-L531 HydrophobicContact CE1-CD2 3.72Å; F529-L531 PolarHBondContact O-N 2.88Å; F529-K536 HydrophobicContact CE1-CB 3.96Å; F529-K536 HydrophobicContact CE1-CG 3.7Å; F529-K536 HydrophobicContact CE2-CB 4.2Å; F529-K536 HydrophobicContact CZ-CB 3.58Å; F529-K536 HydrophobicContact CZ-CG 3.74Å; F529-I538 HydrophobicContact CD2-CD1 3.46Å; F529-I538 VanDerWaalsContact CD2-CD1 3.46Å; F529-I538 HydrophobicContact CE2-CD1 3.93Å
530	A	97.1	Very high	93.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	112.5	177.4	0	0	0	0	0	110.2	H449 K451 K532 E537 E539	H449-A530 CarbonylContact O-C 3.04Å; H449-A530 VanDerWaalsContact O-CA 3.3Å; H449-A530 WeakPolarHBondContact O-CA 3.22Å; K451-A530 HydrophobicContact CD-CB 3.74Å; A530-K532 PolarHBondContact O-N 3.16Å; A530-E537 HydrophobicContact CB-CG 3.42Å; A530-E537 VanDerWaalsContact CB-CG 3.42Å; A530-E537 PolarHBondContact N-O 3.37Å; A530-E539 HydrophobicContact CB-CG 3.98Å
531	L	95.4	Very high	93.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	92.5	179	-66.1	174.8	0	0	0	108.9	Y448 H449 F450 K451 F492 I496 Y499 W500 W518 F529	Y448-L531 HydrophobicContact CD1-CD1 4.46Å; Y448-L531 HydrophobicContact CD2-CD1 3.83Å; Y448-L531 HydrophobicContact CG-CD1 3.71Å; H449-L531 PolarHBondContact O-N 3.31Å; F450-L531 HydrophobicContact CD2-CB 3.9Å; F450-L531 HydrophobicContact CD2-CD1 4.32Å; K451-L531 PolarHBondContact N-O 3.37Å; F492-L531 HydrophobicContact CZ-CB 4.36Å; I496-L531 HydrophobicContact CD1-CB 4.46Å; I496-L531 HydrophobicContact CD1-CD1 3.79Å; I496-L531 HydrophobicContact CD1-CD2 4.15Å; I496-L531 HydrophobicContact CD1-CG 4.38Å; Y499-L531 HydrophobicContact CD2-CD2 4.09Å; Y499-L531 HydrophobicContact CE2-CD2 3.78Å; W500-L531 HydrophobicContact CH2-CD1 4.32Å; W500-L531 HydrophobicContact CZ3-CD1 4.27Å; W518-L531 HydrophobicContact CH2-CD1 4.29Å; W518-L531 HydrophobicContact CZ3-CD2 4.36Å; F529-L531 HydrophobicContact CD1-CD2 3.49Å; F529-L531 VanDerWaalsContact CD1-CD2 3.49Å; F529-L531 HydrophobicContact CD1-CG 4.2Å; F529-L531 HydrophobicContact CE1-CD2 3.72Å; F529-L531 PolarHBondContact O-N 2.88Å
532	K	89.1	Confident	93.4	Very high	99 Å²	99	61.4 Å²	61.4	43%	0.43	29%	0.286	S	S	.	.			trans	-122.8	148.7	172.7	-178	175.2	178.4	179.3	0	110.1	K451 A530 R534 T535	K451-K532 HydrophobicContact CB-CB 4.18Å; A530-K532 PolarHBondContact O-N 3.16Å; K532-R534 PolarHBondContact O-N 3.06Å; K532-T535 CarbonylContact C-O 3.57Å; K532-T535 WeakPolarHBondContact CB-O 3.39Å
533	F	80.9	Confident	93.3	Very high	51 Å²	51	61.6 Å²	61.6	22%	0.224	28%	0.283	C	S	.	.	S	Bend	trans	-53.7	130.6	173.8	176.9	-110.9	0	0	0	111.7	H452 Q488 F492 T535	H452-F533 VanDerWaalsContact ND1-CB 3.33Å; H452-F533 WeakPolarHBondContact ND1-CB 3.13Å; Q488-F533 HydrophobicContact CB-CD2 4.31Å; Q488-F533 HydrophobicContact CB-CE1 4Å; Q488-F533 HydrophobicContact CB-CE2 3.36Å; Q488-F533 HydrophobicContact CB-CZ 3.18Å; Q488-F533 HydrophobicContact CG-CE1 4Å; Q488-F533 HydrophobicContact CG-CE2 3.89Å; Q488-F533 HydrophobicContact CG-CZ 3.22Å; Q488-F533 VanDerWaalsContact O-CE2 3.29Å; Q488-F533 WeakPolarHBondContact O-CE2 3.41Å; F492-F533 HydrophobicContact CB-CD2 4.18Å; F533-T535 PolarHBondContact O-N 3.45Å
534	R	79.1	Confident	93.2	Very high	178 Å²	178	59.8 Å²	59.8	67%	0.672	27%	0.273	S	S	*	.	S	Bend	trans	60.9	-35.6	-174.8	-70.7	173	-178.7	170	7.6	117.3	K532	K532-R534 PolarHBondContact O-N 3.06Å
535	T	83.5	Confident	93.1	Very high	74 Å²	74	61.8 Å²	61.8	45%	0.454	27%	0.27	S	S	.	.			trans	-110.2	120.1	-175.6	55.5	0	0	0	0	109.7	K532 F533	K532-T535 CarbonylContact C-O 3.57Å; K532-T535 WeakPolarHBondContact CB-O 3.39Å; F533-T535 PolarHBondContact O-N 3.45Å
536	K	86.8	Confident	92.9	Very high	51 Å²	51	56.9 Å²	56.9	22%	0.222	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.8	167.4	-66.2	85.2	-176.9	-174.6	0	107.3	E495 L516 F529	E495-K536 IonicContact OE1-NZ 3.65Å; E495-K536 PolarHBondContact OE1-NZ 3.45Å; E495-K536 WeakPolarHBondContact OE2-CE 3.43Å; E495-K536 IonicContact OE2-NZ 2.83Å; E495-K536 PolarHBondContact OE2-NZ 3.21Å; L516-K536 HydrophobicContact CD2-CB 4.17Å; L516-K536 VanDerWaalsContact CD2-O 3.29Å; L516-K536 WeakPolarHBondContact CD2-O 3.17Å; F529-K536 HydrophobicContact CE1-CB 3.96Å; F529-K536 HydrophobicContact CE1-CG 3.7Å; F529-K536 HydrophobicContact CE2-CB 4.2Å; F529-K536 HydrophobicContact CZ-CB 3.58Å; F529-K536 HydrophobicContact CZ-CG 3.74Å
537	E	94.5	Very high	92.9	Very high	89 Å²	89	56.4 Å²	56.4	42%	0.416	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153	179.6	64.6	-172	176	0	0	109.8	K451 A530 E539	K451-E537 IonicContact NZ-OE1 2.83Å; K451-E537 PolarHBondContact NZ-OE1 3.2Å; A530-E537 HydrophobicContact CB-CG 3.42Å; A530-E537 VanDerWaalsContact CB-CG 3.42Å; A530-E537 PolarHBondContact N-O 3.37Å; E537-E539 HydrophobicContact CG-CG 4.26Å
538	I	96.7	Very high	92.7	Very high	49 Å²	49	60.3 Å²	60.3	25%	0.251	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.3	171.1	-55.5	-45.7	0	0	0	107.5	L516 P519 E527 S528 F529	L516-I538 HydrophobicContact CD1-CD1 4.4Å; L516-I538 HydrophobicContact CD1-CG1 4.11Å; L516-I538 HydrophobicContact CD2-CD1 3.7Å; L516-I538 HydrophobicContact CD2-CG1 3.91Å; L516-I538 HydrophobicContact CG-CD1 3.96Å; L516-I538 HydrophobicContact CG-CG1 4.19Å; P519-I538 VanDerWaalsContact CD-CD1 3.44Å; P519-I538 HydrophobicContact CG-CD1 3.8Å; P519-I538 HydrophobicContact CG-CG1 4.43Å; P519-I538 HydrophobicContact CG-CG2 4.19Å; E527-I538 HydrophobicContact CB-CG2 3.68Å; E527-I538 HydrophobicContact CG-CG2 3.56Å; S528-I538 WeakPolarHBondContact O-CA 3.26Å; F529-I538 HydrophobicContact CD2-CD1 3.46Å; F529-I538 VanDerWaalsContact CD2-CD1 3.46Å; F529-I538 HydrophobicContact CE2-CD1 3.93Å
539	E	96.9	Very high	92.3	Very high	32 Å²	32	63.4 Å²	63.4	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.3	171.6	-62.1	178.3	129.8	0	0	109	H449 K451 E527 S528 A530 E537 I542	H449-E539 WeakPolarHBondContact CB-OE2 3.41Å; H449-E539 IonicContact CE1-OE2 2.65Å; H449-E539 IonicContact CG-OE2 3.73Å; H449-E539 IonicContact ND1-OE1 3.42Å; H449-E539 IonicContact ND1-OE2 3.84Å; H449-E539 PolarHBondContact ND1-OE2 2.89Å; K451-E539 IonicContact NZ-OE1 3.98Å; K451-E539 PolarHBondContact NZ-OE1 3.34Å; E527-E539 CarbonylContact C-O 3.51Å; E527-E539 WeakPolarHBondContact CA-O 3.27Å; S528-E539 PolarHBondContact N-O 3.19Å; S528-E539 PolarHBondContact O-N 3.32Å; A530-E539 HydrophobicContact CB-CG 3.98Å; E537-E539 HydrophobicContact CG-CG 4.26Å; E539-I542 HydrophobicContact CB-CG2 3.49Å; E539-I542 VanDerWaalsContact CB-CG2 3.49Å; E539-I542 HydrophobicContact CG-CG2 4.41Å
540	R	97.3	Very high	92	Very high	174 Å²	174	63.7 Å²	63.7	66%	0.657	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.9	-179.4	-72.2	178.6	-178.7	133.3	4.9	109.7	E527 I542	E527-R540 HydrophobicContact CG-CG 3.74Å; E527-R540 IonicContact OE1-CZ 3.39Å; E527-R540 IonicContact OE1-NE 2.63Å; E527-R540 PolarHBondContact OE1-NE 2.97Å; E527-R540 IonicContact OE1-NH2 3Å; E527-R540 PolarHBondContact OE1-NH2 2.99Å; R540-I542 PolarHBondContact O-N 2.85Å
541	R	96.1	Very high	91.9	Very high	112 Å²	112	64.9 Å²	64.9	42%	0.423	29%	0.29	S	S	.	.	S	Bend	trans	55.8	41	170.3	-61.4	169.8	175	-83.2	-5.4	112.3	A524 K526 K543 E544	A524-R541 PolarHBondContact O-NH2 2.92Å; K526-R541 HydrophobicContact CB-CG 3.93Å; K526-R541 HydrophobicContact CD-CG 4.35Å; K526-R541 PolarHBondContact O-N 3.5Å; R541-K543 PolarHBondContact O-N 3.24Å; R541-E544 HydrophobicContact CB-CB 4.1Å; R541-E544 WeakPolarHBondContact CB-OE2 3.29Å; R541-E544 VanDerWaalsContact CD-OE2 3.22Å; R541-E544 WeakPolarHBondContact CD-OE2 3.32Å; R541-E544 VanDerWaalsContact CG-OE2 3.3Å; R541-E544 WeakPolarHBondContact CG-OE2 3.48Å; R541-E544 IonicContact CZ-OE2 3.71Å; R541-E544 IonicContact NE-OE2 3.27Å; R541-E544 IonicContact NH1-OE1 2.91Å; R541-E544 PolarHBondContact NH1-OE1 3.32Å; R541-E544 IonicContact NH1-OE2 2.73Å; R541-E544 PolarHBondContact NH1-OE2 3.46Å; R541-E544 WeakPolarHBondContact O-CB 3.48Å; R541-E544 PolarHBondContact O-N 3.05Å
542	I	95.7	Very high	91.7	Very high	24 Å²	24	68.4 Å²	68.4	12%	0.123	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.1	179.8	58.9	171.1	0	0	0	110.1	L348 L431 S528 E539 R540 E544	L348-I542 HydrophobicContact CD1-CD1 3.6Å; L431-I542 HydrophobicContact CD1-CD1 4.38Å; L431-I542 HydrophobicContact CD1-CG1 4.11Å; L431-I542 HydrophobicContact CD2-CD1 4.38Å; S528-I542 WeakPolarHBondContact OG-CD1 3.28Å; E539-I542 HydrophobicContact CB-CG2 3.49Å; E539-I542 VanDerWaalsContact CB-CG2 3.49Å; E539-I542 HydrophobicContact CG-CG2 4.41Å; R540-I542 PolarHBondContact O-N 2.85Å; I542-E544 PolarHBondContact O-N 2.93Å
543	K	93.5	Very high	91.6	Very high	49 Å²	49	64.5 Å²	64.5	21%	0.213	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	22.7	177.8	-46.6	-161.4	-171.1	170.6	0	115.5	D423 T427 R541 E545 T546 C547	D423-K543 WeakPolarHBondContact OD1-CD 3.39Å; D423-K543 VanDerWaalsContact OD1-CE 3.25Å; D423-K543 WeakPolarHBondContact OD1-CE 3.36Å; D423-K543 IonicContact OD1-NZ 3.91Å; D423-K543 PolarHBondContact OD1-NZ 2.86Å; T427-K543 HydrophobicContact CG2-CD 3.89Å; T427-K543 PolarHBondContact OG1-NZ 2.94Å; R541-K543 PolarHBondContact O-N 3.24Å; K543-E545 PolarHBondContact O-N 3.36Å; K543-T546 WeakPolarHBondContact O-CB 3.3Å; K543-T546 PolarHBondContact O-N 2.97Å; K543-C547 WeakPolarHBondContact O-CB 3.47Å; K543-C547 PolarHBondContact O-N 3.16Å; K543-C547 PolarHBondContact O-SG 2.81Å; K543-C547 VanDerWaalsContact O-SG 3.37Å
544	E	94.4	Very high	92	Very high	33 Å²	33	62.7 Å²	62.7	15%	0.154	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-49.5	-172.3	176.7	163.5	-141.4	0	0	113.2	K526 R541 I542 C547 K548	K526-E544 WeakPolarHBondContact CE-OE1 3.48Å; K526-E544 IonicContact NZ-OE1 2.79Å; K526-E544 PolarHBondContact NZ-OE1 3.22Å; R541-E544 HydrophobicContact CB-CB 4.1Å; R541-E544 WeakPolarHBondContact CB-OE2 3.29Å; R541-E544 VanDerWaalsContact CD-OE2 3.22Å; R541-E544 WeakPolarHBondContact CD-OE2 3.32Å; R541-E544 VanDerWaalsContact CG-OE2 3.3Å; R541-E544 WeakPolarHBondContact CG-OE2 3.48Å; R541-E544 IonicContact CZ-OE2 3.71Å; R541-E544 IonicContact NE-OE2 3.27Å; R541-E544 IonicContact NH1-OE1 2.91Å; R541-E544 PolarHBondContact NH1-OE1 3.32Å; R541-E544 IonicContact NH1-OE2 2.73Å; R541-E544 PolarHBondContact NH1-OE2 3.46Å; R541-E544 WeakPolarHBondContact O-CB 3.48Å; R541-E544 PolarHBondContact O-N 3.05Å; I542-E544 PolarHBondContact O-N 2.93Å; E544-C547 PolarHBondContact O-N 3.45Å; E544-K548 HydrophobicContact CG-CD 4.47Å; E544-K548 WeakPolarHBondContact O-CG 3.31Å; E544-K548 PolarHBondContact O-N 3.09Å
545	E	91.6	Very high	92.7	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-40.8	179.2	-64.2	-51.9	127.9	0	0	112.6	K543 C547 K548 T549	K543-E545 PolarHBondContact O-N 3.36Å; E545-C547 PolarHBondContact O-N 3.21Å; E545-K548 PolarHBondContact O-N 3.44Å; E545-K548 IonicContact OE1-NZ 2.92Å; E545-K548 PolarHBondContact OE1-NZ 3.47Å; E545-K548 IonicContact OE2-NZ 2.87Å; E545-T549 PolarHBondContact O-N 2.96Å
546	T	93.2	Very high	93.1	Very high	19 Å²	19	59.6 Å²	59.6	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-47.3	175.4	-54.2	0	0	0	0	111.3	H400 Y401 D423 K543 K548 T549 W550	H400-T546 WeakPolarHBondContact NE2-CB 3.24Å; H400-T546 WeakPolarHBondContact NE2-CG2 3.24Å; H400-T546 PolarHBondContact NE2-OG1 3.32Å; Y401-T546 HydrophobicContact CE1-CG2 4.47Å; Y401-T546 WeakPolarHBondContact OH-CG2 3.33Å; D423-T546 HydrophobicContact CB-CG2 4.14Å; D423-T546 WeakPolarHBondContact OD2-CG2 3.36Å; K543-T546 WeakPolarHBondContact O-CB 3.3Å; K543-T546 PolarHBondContact O-N 2.97Å; T546-K548 PolarHBondContact O-N 3.29Å; T546-T549 PolarHBondContact O-N 3.34Å; T546-W550 PolarHBondContact O-N 3.31Å
547	C	96.4	Very high	93.2	Very high	12 Å²	12	60 Å²	60	8%	0.081	28%	0.284	C	S	.	.	H	α-helix	trans	-71.9	-29.7	-177.5	-64.5	0	0	0	0	112.9	C428 K543 E544 E545 T549 W550 R551	C428-C547 WeakPolarHBondContact CA-SG 3.44Å; C428-C547 HydrophobicContact CB-CB 3.58Å; C428-C547 WeakPolarHBondContact CB-SG 2.99Å; C428-C547 WeakPolarHBondContact SG-CA 3.45Å; C428-C547 WeakPolarHBondContact SG-CB 3.41Å; C428-C547 CovalentContact SG-SG 2.05Å; C428-C547 PolarHBondContact SG-SG 3.12Å; K543-C547 WeakPolarHBondContact O-CB 3.47Å; K543-C547 PolarHBondContact O-N 3.16Å; K543-C547 PolarHBondContact O-SG 2.81Å; K543-C547 VanDerWaalsContact O-SG 3.37Å; E544-C547 PolarHBondContact O-N 3.45Å; E545-C547 PolarHBondContact O-N 3.21Å; C547-T549 VanDerWaalsContact C-N 3.28Å; C547-T549 PolarHBondContact O-N 3.45Å; C547-W550 PolarHBondContact O-N 2.93Å; C547-R551 VanDerWaalsContact O-CB 3.24Å; C547-R551 WeakPolarHBondContact O-CB 3.47Å; C547-R551 WeakPolarHBondContact O-CG 3.34Å; C547-R551 PolarHBondContact O-N 2.78Å
548	K	93.1	Very high	93.2	Very high	101 Å²	101	56.3 Å²	56.3	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-56.6	-42.6	170.4	-76.4	170.2	-175.2	168.8	0	112.3	E544 E545 T546 S552	E544-K548 HydrophobicContact CG-CD 4.47Å; E544-K548 WeakPolarHBondContact O-CG 3.31Å; E544-K548 PolarHBondContact O-N 3.09Å; E545-K548 PolarHBondContact O-N 3.44Å; E545-K548 IonicContact OE1-NZ 2.92Å; E545-K548 PolarHBondContact OE1-NZ 3.47Å; E545-K548 IonicContact OE2-NZ 2.87Å; T546-K548 PolarHBondContact O-N 3.29Å; K548-S552 PolarHBondContact O-N 3.2Å; K548-S552 VanDerWaalsContact O-N 3.14Å; K548-S552 PolarHBondContact O-OG 3.27Å
549	T	88.8	Confident	93.2	Very high	65 Å²	65	58.6 Å²	58.6	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-51.7	177.5	-58.7	0	0	0	0	111	E545 T546 C547 R551 S552 A553	E545-T549 PolarHBondContact O-N 2.96Å; T546-T549 PolarHBondContact O-N 3.34Å; C547-T549 VanDerWaalsContact C-N 3.28Å; C547-T549 PolarHBondContact O-N 3.45Å; T549-R551 PolarHBondContact O-N 3.11Å; T549-S552 WeakPolarHBondContact O-CB 3.43Å; T549-S552 PolarHBondContact O-N 2.71Å; T549-A553 PolarHBondContact O-N 3.49Å
550	W	92.7	Very high	93	Very high	8 Å²	8	61.9 Å²	61.9	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-40.3	-179.4	-70.4	129.8	0	0	0	113.4	L386 V393 A397 Y401 M420 Y424 C428 T546 C547 S552 A553 R554	L386-W550 HydrophobicContact CD1-CH2 3.74Å; L386-W550 HydrophobicContact CD1-CZ3 4.44Å; L386-W550 HydrophobicContact CD2-CH2 4.05Å; L386-W550 HydrophobicContact CD2-CZ3 4.35Å; V393-W550 HydrophobicContact CG1-CZ3 4.35Å; A397-W550 HydrophobicContact CB-CH2 3.45Å; A397-W550 VanDerWaalsContact CB-CH2 3.45Å; A397-W550 HydrophobicContact CB-CZ2 3.87Å; A397-W550 HydrophobicContact CB-CZ3 4.39Å; Y401-W550 AromaticContact CE2-CZ2 3.82Å; Y401-W550 HydrophobicContact CE2-CZ2 3.82Å; Y401-W550 AromaticContact CE2-NE1 3.86Å; Y401-W550 AromaticContact CZ-NE1 3.91Å; Y401-W550 PolarHBondContact OH-NE1 2.96Å; M420-W550 HydrophobicContact CG-CZ2 4.03Å; Y424-W550 HydrophobicContact CD2-CB 4.18Å; Y424-W550 AromaticContact CD2-CD2 3.48Å; Y424-W550 HydrophobicContact CD2-CD2 3.48Å; Y424-W550 VanDerWaalsContact CD2-CD2 3.48Å; Y424-W550 AromaticContact CD2-CE3 3.22Å; Y424-W550 HydrophobicContact CD2-CE3 3.22Å; Y424-W550 AromaticContact CD2-CG 3.92Å; Y424-W550 HydrophobicContact CD2-CG 3.92Å; Y424-W550 HydrophobicContact CD2-CH2 4.36Å; Y424-W550 AromaticContact CD2-CZ3 3.72Å; Y424-W550 HydrophobicContact CD2-CZ3 3.72Å; Y424-W550 HydrophobicContact CE2-CD2 4.36Å; Y424-W550 AromaticContact CE2-CE3 3.73Å; Y424-W550 HydrophobicContact CE2-CE3 3.73Å; Y424-W550 HydrophobicContact CE2-CZ3 4.18Å; Y424-W550 HydrophobicContact CG-CD2 4.14Å; Y424-W550 AromaticContact CG-CE3 4Å; Y424-W550 HydrophobicContact CG-CE3 4Å; Y424-W550 HydrophobicContact CG-CH2 4.37Å; Y424-W550 HydrophobicContact CG-CZ3 4.13Å; C428-W550 HydrophobicContact CB-CB 4.33Å; T546-W550 PolarHBondContact O-N 3.31Å; C547-W550 PolarHBondContact O-N 2.93Å; W550-S552 VanDerWaalsContact C-N 3.26Å; W550-S552 PolarHBondContact O-N 2.95Å; W550-A553 WeakPolarHBondContact O-CB 3.48Å; W550-A553 PolarHBondContact O-N 2.97Å; W550-A553 VanDerWaalsContact O-N 3.12Å; W550-R554 PolarHBondContact O-N 2.91Å
551	R	94.2	Very high	92.9	Very high	26 Å²	26	55 Å²	55	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-28.5	176.8	-68.5	-51.1	-56.6	158.9	-1.9	112.9	D254 D429 W432 C547 T549 A553 K555	D254-R551 IonicContact OD2-CZ 3.02Å; D254-R551 IonicContact OD2-NH1 2.91Å; D254-R551 PolarHBondContact OD2-NH1 3.25Å; D254-R551 IonicContact OD2-NH2 3.82Å; D254-R551 PolarHBondContact OD2-NH2 3.36Å; D429-R551 WeakPolarHBondContact OD1-CD 3.39Å; D429-R551 IonicContact OD1-CZ 3.04Å; D429-R551 IonicContact OD1-NE 2.86Å; D429-R551 IonicContact OD1-NH1 2.71Å; D429-R551 PolarHBondContact OD1-NH1 3.15Å; D429-R551 IonicContact OD2-NH1 3.39Å; W432-R551 HydrophobicContact CB-CG 4.08Å; W432-R551 VanDerWaalsContact CD1-NE 3.33Å; W432-R551 VanDerWaalsContact CD2-CZ 3.47Å; W432-R551 HydrophobicContact CG-CG 4.33Å; C547-R551 VanDerWaalsContact O-CB 3.24Å; C547-R551 WeakPolarHBondContact O-CB 3.47Å; C547-R551 WeakPolarHBondContact O-CG 3.34Å; C547-R551 PolarHBondContact O-N 2.78Å; T549-R551 PolarHBondContact O-N 3.11Å; R551-A553 VanDerWaalsContact C-N 3.35Å; R551-K555 VanDerWaalsContact O-CB 3.24Å; R551-K555 WeakPolarHBondContact O-CB 3.35Å; R551-K555 PolarHBondContact O-N 3.25Å
552	S	90.5	Very high	92.8	Very high	74 Å²	74	49.7 Å²	49.7	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-64.6	-40.8	172.1	-59.7	0	0	0	0	111.4	K548 T549 W550 K555 I556	K548-S552 PolarHBondContact O-N 3.2Å; K548-S552 VanDerWaalsContact O-N 3.14Å; K548-S552 PolarHBondContact O-OG 3.27Å; T549-S552 WeakPolarHBondContact O-CB 3.43Å; T549-S552 PolarHBondContact O-N 2.71Å; W550-S552 VanDerWaalsContact C-N 3.26Å; W550-S552 PolarHBondContact O-N 2.95Å; S552-K555 PolarHBondContact O-N 2.99Å; S552-I556 WeakPolarHBondContact O-CG1 3.43Å; S552-I556 PolarHBondContact O-N 3.45Å
553	A	86.9	Confident	92.7	Very high	16 Å²	16	51.6 Å²	51.6	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-49.4	174.9	0	0	0	0	0	111.7	T549 W550 R551 K555 I556 E557	T549-A553 PolarHBondContact O-N 3.49Å; W550-A553 WeakPolarHBondContact O-CB 3.48Å; W550-A553 PolarHBondContact O-N 2.97Å; W550-A553 VanDerWaalsContact O-N 3.12Å; R551-A553 VanDerWaalsContact C-N 3.35Å; A553-K555 VanDerWaalsContact C-N 3.29Å; A553-K555 PolarHBondContact O-N 2.71Å; A553-I556 WeakPolarHBondContact O-CB 3.39Å; A553-I556 PolarHBondContact O-N 3.07Å; A553-I556 VanDerWaalsContact O-N 3.14Å; A553-E557 PolarHBondContact O-N 3.11Å
554	R	91.1	Very high	92.5	Very high	14 Å²	14	54.6 Å²	54.6	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-37.4	177	-64.4	-64.5	-61.4	145.5	4.8	112.5	D254 Y424 D429 W550 I556 E557 Y558	D254-R554 PolarHBondContact O-NE 3.44Å; D254-R554 PolarHBondContact O-NH2 2.9Å; D254-R554 IonicContact OD1-NH2 2.61Å; Y424-R554 HydrophobicContact CE2-CG 4.39Å; Y424-R554 WeakPolarHBondContact OH-CD 3.41Å; D429-R554 IonicContact OD2-NE 3.52Å; W550-R554 PolarHBondContact O-N 2.91Å; R554-I556 VanDerWaalsContact C-N 3.33Å; R554-I556 PolarHBondContact O-N 3.45Å; R554-E557 IonicContact CZ-OE2 2.79Å; R554-E557 IonicContact NH1-OE1 3.24Å; R554-E557 PolarHBondContact NH1-OE1 2.99Å; R554-E557 IonicContact NH1-OE2 3.91Å; R554-E557 PolarHBondContact NH1-OE2 3.36Å; R554-E557 PolarHBondContact O-N 3.07Å; R554-Y558 PolarHBondContact O-N 3.45Å; R554-Y558 VanDerWaalsContact O-N 3.12Å
555	K	92.7	Very high	92.3	Very high	83 Å²	83	56.4 Å²	56.4	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-37.9	177	-168.8	69.5	179.9	-179.8	0	112.3	R551 S552 A553 Y558 L559	R551-K555 VanDerWaalsContact O-CB 3.24Å; R551-K555 WeakPolarHBondContact O-CB 3.35Å; R551-K555 PolarHBondContact O-N 3.25Å; S552-K555 PolarHBondContact O-N 2.99Å; A553-K555 VanDerWaalsContact C-N 3.29Å; A553-K555 PolarHBondContact O-N 2.71Å; K555-Y558 HydrophobicContact CD-CD1 4.24Å; K555-Y558 PolarHBondContact O-N 2.77Å; K555-L559 HydrophobicContact CG-CD1 4.19Å; K555-L559 HydrophobicContact CG-CG 4.44Å; K555-L559 WeakPolarHBondContact O-CB 3.42Å; K555-L559 VanDerWaalsContact O-CG 3.26Å; K555-L559 WeakPolarHBondContact O-CG 3.34Å; K555-L559 PolarHBondContact O-N 3.3Å
556	I	91.1	Very high	92.2	Very high	103 Å²	103	57 Å²	57	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-45.2	176.7	-68.8	165.2	0	0	0	110.3	S552 A553 R554 Y558 L559 L560	S552-I556 WeakPolarHBondContact O-CG1 3.43Å; S552-I556 PolarHBondContact O-N 3.45Å; A553-I556 WeakPolarHBondContact O-CB 3.39Å; A553-I556 PolarHBondContact O-N 3.07Å; A553-I556 VanDerWaalsContact O-N 3.14Å; R554-I556 VanDerWaalsContact C-N 3.33Å; R554-I556 PolarHBondContact O-N 3.45Å; I556-Y558 PolarHBondContact O-N 3.15Å; I556-L559 PolarHBondContact O-N 3.28Å; I556-L560 HydrophobicContact CG2-CD1 4.04Å; I556-L560 HydrophobicContact CG2-CG 4.4Å; I556-L560 WeakPolarHBondContact O-CG 3.45Å; I556-L560 PolarHBondContact O-N 2.86Å
557	E	90.3	Very high	91.9	Very high	61 Å²	61	58.8 Å²	58.8	29%	0.285	30%	0.302	S	S	.	.	H	α-helix	trans	-58.1	-47.8	177.1	-65.6	-177.9	-140.5	0	0	112	Y389 A553 R554 L559 L560 Y561	Y389-E557 WeakPolarHBondContact CE1-OE1 3.35Å; Y389-E557 PolarHBondContact OH-OE1 3.36Å; A553-E557 PolarHBondContact O-N 3.11Å; R554-E557 IonicContact CZ-OE2 2.79Å; R554-E557 IonicContact NH1-OE1 3.24Å; R554-E557 PolarHBondContact NH1-OE1 2.99Å; R554-E557 IonicContact NH1-OE2 3.91Å; R554-E557 PolarHBondContact NH1-OE2 3.36Å; R554-E557 PolarHBondContact O-N 3.07Å; E557-L559 PolarHBondContact O-N 3.06Å; E557-L560 PolarHBondContact O-N 3.16Å; E557-Y561 PolarHBondContact O-N 3.31Å
558	Y	94.9	Very high	91	Very high	11 Å²	11	60.4 Å²	60.4	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-47.8	174.8	162.4	-104.5	0	0	0	112	F330 H334 E335 R554 K555 I556 L560 Y561 A562	F330-Y558 HydrophobicContact CD2-CD2 4.39Å; F330-Y558 HydrophobicContact CE2-CD2 4.23Å; F330-Y558 HydrophobicContact CZ-CD2 4.37Å; H334-Y558 HydrophobicContact CB-CD1 4.06Å; H334-Y558 HydrophobicContact CB-CD2 3.62Å; H334-Y558 HydrophobicContact CB-CE1 3.84Å; H334-Y558 HydrophobicContact CB-CE2 3.39Å; H334-Y558 HydrophobicContact CB-CG 3.94Å; H334-Y558 VanDerWaalsContact CB-CZ 3.5Å; H334-Y558 AromaticContact CD2-CD2 3.79Å; H334-Y558 AromaticContact CE1-CG 3.98Å; H334-Y558 AromaticContact CG-CD1 3.95Å; H334-Y558 AromaticContact CG-CD2 3.5Å; H334-Y558 AromaticContact CG-CE2 3.86Å; H334-Y558 AromaticContact CG-CG 3.55Å; H334-Y558 AromaticContact ND1-CD1 3.71Å; H334-Y558 AromaticContact ND1-CG 3.53Å; E335-Y558 PolarHBondContact OE1-OH 2.74Å; R554-Y558 PolarHBondContact O-N 3.45Å; R554-Y558 VanDerWaalsContact O-N 3.12Å; K555-Y558 HydrophobicContact CD-CD1 4.24Å; K555-Y558 PolarHBondContact O-N 2.77Å; I556-Y558 PolarHBondContact O-N 3.15Å; Y558-L560 VanDerWaalsContact C-N 3.32Å; Y558-L560 PolarHBondContact O-N 3.47Å; Y558-Y561 PolarHBondContact O-N 2.91Å; Y558-A562 HydrophobicContact CD2-CB 4.34Å; Y558-A562 HydrophobicContact CE1-CB 4.45Å; Y558-A562 HydrophobicContact CE2-CB 3.82Å; Y558-A562 VanDerWaalsContact O-CB 3.25Å; Y558-A562 WeakPolarHBondContact O-CB 3.04Å; Y558-A562 PolarHBondContact O-N 3.13Å
559	L	95.5	Very high	89.6	Confident	96 Å²	96	57.3 Å²	57.3	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-38.3	-177.6	-72.4	173.6	0	0	0	112.2	K555 I556 E557 S563	K555-L559 HydrophobicContact CG-CD1 4.19Å; K555-L559 HydrophobicContact CG-CG 4.44Å; K555-L559 WeakPolarHBondContact O-CB 3.42Å; K555-L559 VanDerWaalsContact O-CG 3.26Å; K555-L559 WeakPolarHBondContact O-CG 3.34Å; K555-L559 PolarHBondContact O-N 3.3Å; I556-L559 PolarHBondContact O-N 3.28Å; E557-L559 PolarHBondContact O-N 3.06Å; L559-S563 WeakPolarHBondContact O-CB 3.48Å; L559-S563 PolarHBondContact O-N 2.77Å
560	L	93	Very high	88	Confident	102 Å²	102	58.7 Å²	58.7	53%	0.534	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-51	174.3	-71.3	172.5	0	0	0	110.6	I556 E557 Y558 S563 Q564	I556-L560 HydrophobicContact CG2-CD1 4.04Å; I556-L560 HydrophobicContact CG2-CG 4.4Å; I556-L560 WeakPolarHBondContact O-CG 3.45Å; I556-L560 PolarHBondContact O-N 2.86Å; E557-L560 PolarHBondContact O-N 3.16Å; Y558-L560 VanDerWaalsContact C-N 3.32Å; Y558-L560 PolarHBondContact O-N 3.47Å; L560-S563 PolarHBondContact O-N 3.09Å; L560-S563 PolarHBondContact O-OG 2.99Å; L560-Q564 PolarHBondContact O-N 3.36Å
561	Y	94.6	Very high	85.8	Confident	29 Å²	29	62.3 Å²	62.3	11%	0.114	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-50.3	178.2	175.2	-106.2	0	0	0	112.5	T261 D328 F330 V331 E557 Y558 S563 Q564 Y565	T261-Y561 HydrophobicContact CG2-CD2 3.37Å; T261-Y561 HydrophobicContact CG2-CE2 3.4Å; T261-Y561 VanDerWaalsContact CG2-CE2 3.4Å; T261-Y561 HydrophobicContact CG2-CG 4.01Å; D328-Y561 PolarHBondContact OD2-OH 3.15Å; F330-Y561 HydrophobicContact CB-CD1 4.44Å; F330-Y561 HydrophobicContact CB-CE1 4.22Å; F330-Y561 AromaticContact CD1-CD1 3.33Å; F330-Y561 HydrophobicContact CD1-CD1 3.33Å; F330-Y561 AromaticContact CD1-CE1 3.87Å; F330-Y561 HydrophobicContact CD1-CE1 3.87Å; F330-Y561 AromaticContact CD1-CG 3.84Å; F330-Y561 HydrophobicContact CD1-CG 3.84Å; F330-Y561 AromaticContact CE1-CD1 3.91Å; F330-Y561 HydrophobicContact CE1-CD1 3.91Å; F330-Y561 HydrophobicContact CE1-CG 4.04Å; F330-Y561 HydrophobicContact CG-CD1 4.21Å; F330-Y561 HydrophobicContact CG-CE1 4.48Å; V331-Y561 HydrophobicContact CG2-CE1 4.06Å; E557-Y561 PolarHBondContact O-N 3.31Å; Y558-Y561 PolarHBondContact O-N 2.91Å; Y561-S563 PolarHBondContact O-N 3.37Å; Y561-Q564 PolarHBondContact O-N 3.29Å; Y561-Q564 VanDerWaalsContact O-N 3.09Å; Y561-Y565 WeakPolarHBondContact O-CB 3.08Å; Y561-Y565 PolarHBondContact O-N 2.87Å
562	A	94.3	Very high	83.5	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.008	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-35.3	-179	0	0	0	0	0	112.1	Y558 R566	Y558-A562 HydrophobicContact CD2-CB 4.34Å; Y558-A562 HydrophobicContact CE1-CB 4.45Å; Y558-A562 HydrophobicContact CE2-CB 3.82Å; Y558-A562 VanDerWaalsContact O-CB 3.25Å; Y558-A562 WeakPolarHBondContact O-CB 3.04Å; Y558-A562 PolarHBondContact O-N 3.13Å; A562-R566 WeakPolarHBondContact O-CB 3.46Å; A562-R566 VanDerWaalsContact O-CG 3.22Å; A562-R566 WeakPolarHBondContact O-CG 3.42Å; A562-R566 PolarHBondContact O-N 3.49Å
563	S	93.5	Very high	80.9	Confident	63 Å²	63	68.8 Å²	68.8	44%	0.441	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-43	176.1	77.4	0	0	0	0	112.4	L559 L560 Y561 A567	L559-S563 WeakPolarHBondContact O-CB 3.48Å; L559-S563 PolarHBondContact O-N 2.77Å; L560-S563 PolarHBondContact O-N 3.09Å; L560-S563 PolarHBondContact O-OG 2.99Å; Y561-S563 PolarHBondContact O-N 3.37Å; S563-A567 WeakPolarHBondContact O-CB 3.34Å; S563-A567 PolarHBondContact O-N 3.04Å; S563-A567 VanDerWaalsContact O-N 3.1Å
564	Q	91	Very high	78.3	Confident	113 Å²	113	70.4 Å²	70.4	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-69.8	-44.7	177.6	-66	172.9	-2.7	0	0	111.2	L560 Y561 R566 A567 G568	L560-Q564 PolarHBondContact O-N 3.36Å; Y561-Q564 PolarHBondContact O-N 3.29Å; Y561-Q564 VanDerWaalsContact O-N 3.09Å; Q564-R566 PolarHBondContact O-N 3.5Å; Q564-A567 PolarHBondContact O-N 3.22Å; Q564-G568 PolarHBondContact O-N 3.21Å
565	Y	89.3	Confident	75.4	Confident	70 Å²	70	76.9 Å²	76.9	28%	0.275	45%	0.45	S	S	.	.	H	α-helix	trans	-56.4	-48.7	176.7	172.7	-105.5	0	0	0	111.7	D328 V331 Y561 G568 A569	D328-Y565 HydrophobicContact CB-CE2 4.19Å; V331-Y565 HydrophobicContact CG2-CD1 3.82Å; V331-Y565 HydrophobicContact CG2-CE1 4.07Å; V331-Y565 HydrophobicContact CG2-CG 4.35Å; Y561-Y565 WeakPolarHBondContact O-CB 3.08Å; Y561-Y565 PolarHBondContact O-N 2.87Å; Y565-G568 PolarHBondContact O-N 3.28Å; Y565-A569 PolarHBondContact O-N 3.48Å
566	R	88.8	Confident	72.5	Confident	129 Å²	129	79.5 Å²	79.5	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-65.1	-39.9	178.3	-71	172.5	-174.9	167.2	2.6	112	E335 A562 Q564 A569 T570	E335-R566 IonicContact OE1-CZ 2.66Å; E335-R566 IonicContact OE1-NH2 3.6Å; E335-R566 PolarHBondContact OE1-NH2 2.68Å; A562-R566 WeakPolarHBondContact O-CB 3.46Å; A562-R566 VanDerWaalsContact O-CG 3.22Å; A562-R566 WeakPolarHBondContact O-CG 3.42Å; A562-R566 PolarHBondContact O-N 3.49Å; Q564-R566 PolarHBondContact O-N 3.5Å; R566-A569 PolarHBondContact O-N 2.04Å; R566-T570 WeakPolarHBondContact O-CG2 3.38Å; R566-T570 PolarHBondContact O-N 3.33Å; R566-T570 PolarHBondContact O-OG1 2.82Å
567	A	87.1	Confident	69.8	Low	58 Å²	58	84.9 Å²	84.9	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-42.4	175	0	0	0	0	0	112.1	S563 Q564 T570 A571	S563-A567 WeakPolarHBondContact O-CB 3.34Å; S563-A567 PolarHBondContact O-N 3.04Å; S563-A567 VanDerWaalsContact O-N 3.1Å; Q564-A567 PolarHBondContact O-N 3.22Å; A567-T570 WeakPolarHBondContact CA-OG1 3.36Å; A567-T570 PolarHBondContact O-N 3.34Å; A567-T570 PolarHBondContact O-OG1 3.1Å; A567-A571 PolarHBondContact O-N 3.33Å; A567-A571 VanDerWaalsContact O-N 3.07Å
568	G	78.1	Confident	67.5	Low	45 Å²	45	85.8 Å²	85.8	46%	0.464	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.3	0	0	0	0	0	113.1	Q564 Y565 T570 A571 S572	Q564-G568 PolarHBondContact O-N 3.21Å; Y565-G568 PolarHBondContact O-N 3.28Å; G568-T570 VanDerWaalsContact C-N 3.33Å; G568-T570 PolarHBondContact O-N 2.68Å; G568-A571 PolarHBondContact O-N 2.98Å; G568-S572 PolarHBondContact O-N 3.13Å
569	A	63.4	Low	64.9	Low	36 Å²	36	94.7 Å²	94.7	30%	0.298	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-34	174.7	0	0	0	0	0	112.6	Y565 R566 S572 I573	Y565-A569 PolarHBondContact O-N 3.48Å; R566-A569 PolarHBondContact O-N 2.04Å; A569-S572 PolarHBondContact O-OG 3.48Å; A569-I573 PolarHBondContact O-N 3.06Å
570	T	54.7	Low	62.1	Low	95 Å²	95	101.7 Å²	101.7	58%	0.583	57%	0.565	S	S	*	*	H	α-helix	trans	-72.1	-28.3	173	55.1	0	0	0	0	113.1	R566 A567 G568 I573	R566-T570 WeakPolarHBondContact O-CG2 3.38Å; R566-T570 PolarHBondContact O-N 3.33Å; R566-T570 PolarHBondContact O-OG1 2.82Å; A567-T570 WeakPolarHBondContact CA-OG1 3.36Å; A567-T570 PolarHBondContact O-N 3.34Å; A567-T570 PolarHBondContact O-OG1 3.1Å; G568-T570 VanDerWaalsContact C-N 3.33Å; G568-T570 PolarHBondContact O-N 2.68Å; T570-I573 CarbonylContact O-C 3.03Å; T570-I573 PolarHBondContact O-N 2.93Å
571	A	48.1	Very low	59.5	Low	83 Å²	83	103.9 Å²	103.9	69%	0.686	58%	0.577	S	S	*	*	H	α-helix	trans	-73.8	-27.6	176.2	0	0	0	0	0	112.8	A567 G568	A567-A571 PolarHBondContact O-N 3.33Å; A567-A571 VanDerWaalsContact O-N 3.07Å; G568-A571 PolarHBondContact O-N 2.98Å
572	S	44.5	Very low	56.9	Low	97 Å²	97	104.9 Å²	104.9	68%	0.678	59%	0.591	S	S	*	*	H	α-helix	trans	-81.1	-20.4	174.3	65.1	0	0	0	0	113.5	G568 A569	G568-S572 PolarHBondContact O-N 3.13Å; A569-S572 PolarHBondContact O-OG 3.48Å
573	I	36.2	Very low	54.3	Low	140 Å²	140	109.2 Å²	109.2	72%	0.718	62%	0.618	S	S	*	*	S	Bend	trans	-109.4	73.9	177.3	-52.2	173.6	0	0	0	109.1	A569 T570	A569-I573 PolarHBondContact O-N 3.06Å; T570-I573 CarbonylContact O-C 3.03Å; T570-I573 PolarHBondContact O-N 2.93Å
574	G	31.3	Very low	52	Low	50 Å²	50	110.9 Å²	110.9	52%	0.515	63%	0.625	S	S	.	*			trans	82.5	119.7	160.3	0	0	0	0	0	116.4	T576	G574-T576 PolarHBondContact O-N 2.61Å
575	T	31	Very low	49.7	Very low	149 Å²	149	110.8 Å²	110.8	91%	0.914	63%	0.627	S	S	*	*			trans	-50.2	96.3	154.6	32.7	0	0	0	0	111
576	T	32.7	Very low	47.7	Very low	138 Å²	138	112.1 Å²	112.1	85%	0.847	65%	0.647	S	S	*	*			trans	-151.8	108.7	152.1	21.5	0	0	0	0	112.2	G574 A578	G574-T576 PolarHBondContact O-N 2.61Å; T576-A578 PolarHBondContact O-N 3.43Å
577	F	34	Very low	45.8	Very low	216 Å²	216	112.2 Å²	112.2	95%	0.947	66%	0.655	S	S	*	*			trans	-34.1	93.5	166.2	-149.3	-95.7	0	0	0	116
578	A	40.9	Very low	43.6	Very low	81 Å²	81	115 Å²	115	67%	0.669	66%	0.66	S	S	*	*			trans	-177.2	55.7	154.2	0	0	0	0	0	115.2	T576	T576-A578 PolarHBondContact O-N 3.43Å
579	Y	40.7	Very low	41.8	Very low	198 Å²	198	118.3 Å²	118.3	78%	0.776	67%	0.667	S	S	*	*			trans	-145.5	30.6	166.2	-103.8	-79.7	0	0	0	115.1	A582	Y579-A582 HydrophobicContact CD1-CB 3.92Å; Y579-A582 HydrophobicContact CE1-CB 3.73Å
580	R	37.8	Very low	40.9	Very low	242 Å²	242	121.4 Å²	121.4	91%	0.913	68%	0.684	S	S	*	*	S	Bend	trans	-87.6	9.2	169.4	-88.8	-168.5	179.5	-168	0.9	114.9
581	L	37.8	Very low	40.3	Very low	149 Å²	149	120.5 Å²	120.5	78%	0.78	69%	0.685	S	S	*	*	S	Bend	trans	-122.5	-12.6	-178	-126.5	86.4	0	0	0	116.9
582	A	39.9	Very low	40	Very low	49 Å²	49	122.5 Å²	122.5	41%	0.405	68%	0.684	S	S	.	*	S	Bend	trans	-92.9	-31.2	-172.5	0	0	0	0	0	114.5	Y579 T584	Y579-A582 HydrophobicContact CD1-CB 3.92Å; Y579-A582 HydrophobicContact CE1-CB 3.73Å; A582-T584 PolarHBondContact O-N 3.04Å
583	T	40.3	Very low	40	Very low	92 Å²	92	124.9 Å²	124.9	56%	0.564	69%	0.688	S	S	*	*	H	α-helix	trans	-79.4	-20.1	-170.2	9.2	0	0	0	0	114.4
584	T	44.7	Very low	40.3	Very low	98 Å²	98	129.6 Å²	129.6	60%	0.601	70%	0.697	S	S	*	*	H	α-helix	trans	-78	-21.5	178.4	-30.6	0	0	0	0	112.7	A582	A582-T584 PolarHBondContact O-N 3.04Å
585	I	42.8	Very low	41.2	Very low	112 Å²	112	136.3 Å²	136.3	57%	0.574	73%	0.728	S	S	*	*	H	α-helix	trans	-94.9	-34.1	-173.4	-61.5	176.7	0	0	0	112.3	I587	I585-I587 PolarHBondContact O-N 2.93Å
586	S	47.4	Very low	41.7	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	72%	0.718	S	S	*	*	H	α-helix	trans	-76.7	-22.2	-177.4	-68.3	0	0	0	0	115.1
587	I	48.9	Very low	42.2	Very low	131 Å²	131	135.6 Å²	135.6	67%	0.672	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-23.7	-177.6	-59	175.9	0	0	0	111.7	I585	I585-I587 PolarHBondContact O-N 2.93Å
588	M	39.7	Very low	42.7	Very low	118 Å²	118	131.1 Å²	131.1	58%	0.581	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-19.3	-175.8	-72.8	-110.4	-156.8	0	0	114.6	A591	M588-A591 PolarHBondContact O-N 3Å
589	L	40.9	Very low	42.8	Very low	114 Å²	114	134.1 Å²	134.1	60%	0.597	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-35.3	-171.8	-121.3	83.3	0	0	0	115.4	A591	L589-A591 VanDerWaalsContact C-N 3.35Å
590	P	45.5	Very low	42.9	Very low	101 Å²	101	130.1 Å²	130.1	66%	0.656	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-18	178.4	-16.1	31.1	0	0	0	114.1
591	A	42.1	Very low	43.2	Very low	75 Å²	75	122.6 Å²	122.6	62%	0.62	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-21.7	-177.6	0	0	0	0	0	113.4	M588 L589	M588-A591 PolarHBondContact O-N 3Å; L589-A591 VanDerWaalsContact C-N 3.35Å
592	L	41.7	Very low	43.6	Very low	126 Å²	126	120.7 Å²	120.7	66%	0.66	67%	0.674	S	S	*	*	S	Bend	trans	-95.6	-2.6	-175.9	-85.6	157.1	0	0	0	115.1
593	L	43.6	Very low	43.9	Very low	146 Å²	146	126.2 Å²	126.2	76%	0.764	70%	0.695	S	S	*	*	S	Bend	trans	-103.6	16.7	179.1	-83	161.4	0	0	0	114.2
594	R	42	Very low	44.2	Very low	240 Å²	240	129.1 Å²	129.1	91%	0.906	71%	0.706	S	S	*	*			trans	-124.9	14.6	172.8	-79.7	-167.9	178.5	-168.7	1.2	114.9
595	V	51.6	Low	44.2	Very low	191 Å²	191	131.9 Å²	131.9	100%	1.158	72%	0.715	S	S	*	*			trans	-110.3	0	159.9	-174.4	0	0	0	0	106.6

Retrieved 595 of 595 residues in 1597.8 ms (Link to these results)

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