A0A077Z077_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z077, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 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	38.5	Very low	32.2	Very low	245 Å²	245	149.5 Å²	149.5	100%	1.207	83%	0.831	S	S	*	*				0	140.9	0	-76.5	177.6	-176.5	0	0	107.8	S3	M1-S3 PolarHBondContact O-N 3.37Å
2	V	35.7	Very low	32.1	Very low	135 Å²	135	142.3 Å²	142.3	82%	0.818	82%	0.815	S	S	*	*			trans	-40.1	124.1	-166.2	178.1	0	0	0	0	114.3	I4	V2-I4 PolarHBondContact O-N 2.7Å
3	S	27.9	Very low	31.9	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	81%	0.813	S	S	*	*			trans	-62.9	120.5	165.3	-69.1	0	0	0	0	110.2	M1	M1-S3 PolarHBondContact O-N 3.37Å
4	I	35.1	Very low	31.8	Very low	152 Å²	152	141.6 Å²	141.6	78%	0.779	81%	0.811	S	S	*	*			trans	-102.7	91.3	166	-59.4	174.1	0	0	0	106	V2 T6	V2-I4 PolarHBondContact O-N 2.7Å; I4-T6 PolarHBondContact O-N 2.9Å
5	A	33	Very low	31.7	Very low	81 Å²	81	143.7 Å²	143.7	67%	0.669	81%	0.808	S	S	*	*			trans	-76	107.5	169.4	0	0	0	0	0	108.1	F7	A5-F7 PolarHBondContact O-N 3.33Å
6	T	30.7	Very low	31.6	Very low	123 Å²	123	146.1 Å²	146.1	76%	0.755	81%	0.807	S	S	*	*			trans	-59.7	113.2	170.8	28.7	0	0	0	0	110.3	I4 T8	I4-T6 PolarHBondContact O-N 2.9Å; T6-T8 PolarHBondContact O-N 3.1Å
7	F	28	Very low	31.3	Very low	198 Å²	198	145.3 Å²	145.3	87%	0.868	80%	0.801	S	S	*	*			trans	-78.9	102.6	168.4	-93.1	-92.3	0	0	0	109.5	A5 L9	A5-F7 PolarHBondContact O-N 3.33Å; F7-L9 PolarHBondContact O-N 3.44Å
8	T	29.4	Very low	30.9	Very low	117 Å²	117	150.5 Å²	150.5	72%	0.718	81%	0.807	S	S	*	*			trans	-78.1	106.5	168.3	-32.7	0	0	0	0	108.3	T6 H10	T6-T8 PolarHBondContact O-N 3.1Å; T8-H10 PolarHBondContact O-N 3.23Å; T8-H10 VanDerWaalsContact O-N 3.1Å
9	L	29.2	Very low	30.8	Very low	160 Å²	160	148.6 Å²	148.6	84%	0.838	80%	0.802	S	S	*	*			trans	-72.5	97.4	173.2	-82.6	154.6	0	0	0	109.4	F7 T11	F7-L9 PolarHBondContact O-N 3.44Å; L9-T11 PolarHBondContact O-N 2.85Å
10	H	31	Very low	30.8	Very low	179 Å²	179	144.3 Å²	144.3	83%	0.829	79%	0.793	S	S	*	*			trans	-72.4	102.8	160.1	-91.2	4.3	0	0	0	108.8	T8 G12	T8-H10 PolarHBondContact O-N 3.23Å; T8-H10 VanDerWaalsContact O-N 3.1Å; H10-G12 PolarHBondContact O-N 3.14Å
11	T	35.7	Very low	30.7	Very low	138 Å²	138	146.4 Å²	146.4	85%	0.847	80%	0.797	S	S	*	*			trans	-74.1	80.8	164.6	53.2	0	0	0	0	108.4	L9	L9-T11 PolarHBondContact O-N 2.85Å
12	G	30.4	Very low	30.6	Very low	62 Å²	62	140.7 Å²	140.7	64%	0.639	78%	0.776	S	S	*	*			trans	-74.5	135.9	166	0	0	0	0	0	110.5	H10 T14	H10-G12 PolarHBondContact O-N 3.14Å; G12-T14 PolarHBondContact O-N 2.69Å
13	D	30.4	Very low	30.5	Very low	146 Å²	146	143.3 Å²	143.3	78%	0.781	78%	0.777	S	S	*	*			trans	-46	118.2	-179.9	-69	-65	0	0	0	114.9
14	T	30.8	Very low	30.7	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	78%	0.775	S	S	*	*			trans	-104.4	79.4	151.5	51.3	0	0	0	0	108.9	G12 F16	G12-T14 PolarHBondContact O-N 2.69Å; T14-F16 PolarHBondContact O-N 3.15Å
15	K	29.5	Very low	30.8	Very low	174 Å²	174	142.9 Å²	142.9	76%	0.757	78%	0.778	S	S	*	*			trans	-68	106.8	157.7	-77.7	-179.5	179.4	172.7	0	107.3	N17	K15-N17 VanDerWaalsContact C-N 3.3Å; K15-N17 PolarHBondContact O-N 3.45Å
16	F	30.8	Very low	30.7	Very low	181 Å²	181	148 Å²	148	79%	0.794	79%	0.785	S	S	*	*			trans	-63.2	91.5	171.4	-112	-100.3	0	0	0	108.9	T14 W18	T14-F16 PolarHBondContact O-N 3.15Å; F16-W18 PolarHBondContact O-N 3.23Å
17	N	26.3	Very low	31	Very low	133 Å²	133	146.6 Å²	146.6	71%	0.711	79%	0.786	S	S	*	*			trans	-71.7	107.8	169.2	-83.7	-17.7	0	0	0	108.4	K15 T19	K15-N17 VanDerWaalsContact C-N 3.3Å; K15-N17 PolarHBondContact O-N 3.45Å; N17-T19 VanDerWaalsContact C-N 3.29Å; N17-T19 PolarHBondContact O-N 3.22Å
18	W	24.7	Very low	31.4	Very low	239 Å²	239	143.2 Å²	143.2	91%	0.905	78%	0.781	S	S	*	*			trans	-69.2	87.1	164.8	-79.4	79.2	0	0	0	109.1	F16	F16-W18 PolarHBondContact O-N 3.23Å
19	T	27.3	Very low	31.6	Very low	115 Å²	115	146.2 Å²	146.2	71%	0.706	79%	0.787	S	S	*	*			trans	-120.5	54.2	163.5	51.4	0	0	0	0	109.8	N17 H21	N17-T19 VanDerWaalsContact C-N 3.29Å; N17-T19 PolarHBondContact O-N 3.22Å; T19-H21 PolarHBondContact O-N 2.75Å
20	G	32.5	Very low	32.2	Very low	62 Å²	62	143.2 Å²	143.2	64%	0.639	78%	0.775	S	S	*	*			trans	-76.7	95.6	164.4	0	0	0	0	0	109.5	T22	G20-T22 PolarHBondContact O-N 3.19Å
21	H	28.9	Very low	32.8	Very low	188 Å²	188	140.6 Å²	140.6	87%	0.87	77%	0.772	S	S	*	*			trans	-64.4	79.9	163.9	-77.9	-68.5	0	0	0	110	T19 K23	T19-H21 PolarHBondContact O-N 2.75Å; H21-K23 PolarHBondContact O-N 2.86Å
22	T	36.2	Very low	33.3	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	76%	0.759	S	S	*	*			trans	-80.4	106.1	163.8	51.6	0	0	0	0	107.8	G20	G20-T22 PolarHBondContact O-N 3.19Å
23	K	32.7	Very low	34.4	Very low	191 Å²	191	141.6 Å²	141.6	83%	0.83	75%	0.75	S	S	*	*			trans	-49.6	129.8	163.7	-74	-178	177	178.7	0	107.6	H21 V25	H21-K23 PolarHBondContact O-N 2.86Å; K23-V25 PolarHBondContact O-N 3.18Å
24	P	32.7	Very low	35.8	Very low	120 Å²	120	141.3 Å²	141.3	78%	0.779	75%	0.748	S	S	*	*			trans	-63.1	111.5	179.8	24.4	-30.4	0	0	0	107.9	K26	P24-K26 PolarHBondContact O-N 3.44Å
25	V	35.6	Very low	37.9	Very low	140 Å²	140	141 Å²	141	85%	0.848	73%	0.732	S	S	*	*			trans	-59	107.8	162.4	176.8	0	0	0	0	104.6	K23 A27	K23-V25 PolarHBondContact O-N 3.18Å; V25-A27 PolarHBondContact O-N 3.21Å
26	K	30.9	Very low	40.6	Very low	189 Å²	189	138.4 Å²	138.4	82%	0.822	73%	0.727	S	S	*	*			trans	-53.9	115.2	172.3	-79.9	-177.1	174.2	-178.8	0	106.2	P24 V28	P24-K26 PolarHBondContact O-N 3.44Å; K26-V28 PolarHBondContact O-N 3.11Å
27	A	37.4	Very low	43.7	Very low	92 Å²	92	130 Å²	130	76%	0.76	69%	0.69	S	S	*	*			trans	-54.3	111.8	170.6	0	0	0	0	0	106.6	V25 H29	V25-A27 PolarHBondContact O-N 3.21Å; A27-H29 PolarHBondContact O-N 3.49Å
28	V	36.4	Very low	47.1	Very low	127 Å²	127	124.1 Å²	124.1	77%	0.77	66%	0.659	S	S	*	*			trans	-58.5	117.4	166.4	177.1	0	0	0	0	104.4	K26 V30	K26-V28 PolarHBondContact O-N 3.11Å; V28-V30 PolarHBondContact O-N 3.18Å
29	H	35.2	Very low	50.6	Low	181 Å²	181	112.7 Å²	112.7	84%	0.838	62%	0.616	S	S	*	*			trans	-57.6	96.2	171.1	-100.6	-54.9	0	0	0	107	A27 T31	A27-H29 PolarHBondContact O-N 3.49Å; H29-T31 VanDerWaalsContact C-N 3.31Å; H29-T31 PolarHBondContact O-N 2.85Å
30	V	41.4	Very low	54	Low	97 Å²	97	107.2 Å²	107.2	59%	0.588	58%	0.582	S	S	*	*			trans	-66.1	103.7	161.1	-178.7	0	0	0	0	103.7	V28 K32	V28-V30 PolarHBondContact O-N 3.18Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.46Å
31	T	43	Very low	57.1	Low	124 Å²	124	104.4 Å²	104.4	76%	0.761	55%	0.552	S	S	*	*			trans	-55	102.5	169.1	-0.4	0	0	0	0	106	H29 I33	H29-T31 VanDerWaalsContact C-N 3.31Å; H29-T31 PolarHBondContact O-N 2.85Å; T31-I33 PolarHBondContact O-N 3.22Å
32	K	46.4	Very low	60.4	Low	133 Å²	133	96.4 Å²	96.4	58%	0.578	52%	0.515	S	S	*	.			trans	-55.7	106.3	174.4	-80.4	-174.6	174.2	-174.1	0	106.8	V30 N34	V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.46Å; K32-N34 PolarHBondContact O-N 3.11Å
33	I	52.8	Low	63.4	Low	88 Å²	88	91.3 Å²	91.3	45%	0.451	48%	0.483	S	S	.	.			trans	-65.9	120.4	170.2	-59.9	176.9	0	0	0	105	T31 R35 K329	T31-I33 PolarHBondContact O-N 3.22Å; I33-R35 HydrophobicContact CG2-CB 4.29Å; I33-R35 PolarHBondContact O-N 3.3Å; I33-K329 HydrophobicContact CD1-CB 4.07Å
34	N	60.3	Low	66.4	Low	139 Å²	139	84 Å²	84	74%	0.743	46%	0.456	S	S	*	.			trans	-71.2	74.6	175.3	-168.7	11.5	0	0	0	109.2	K32 N62	K32-N34 PolarHBondContact O-N 3.11Å; N34-N62 PolarHBondContact OD1-ND2 3.35Å
35	R	75.1	Confident	69.5	Low	122 Å²	122	79.1 Å²	79.1	46%	0.46	42%	0.423	S	S	.	.			trans	-101.2	129.2	176.8	-176.5	177.8	179.5	165.6	1.8	108.1	I33 I37	I33-R35 HydrophobicContact CG2-CB 4.29Å; I33-R35 PolarHBondContact O-N 3.3Å; R35-I37 PolarHBondContact O-N 3.44Å
36	N	87.3	Confident	72.3	Confident	120 Å²	120	77.3 Å²	77.3	64%	0.642	40%	0.403	S	S	*	.			trans	-68.3	115.9	168.1	-71.3	-12	0	0	0	108.6	N62	N36-N62 PolarHBondContact OD1-ND2 3.13Å
37	I	94.4	Very high	75.4	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.7	-179.1	-67.4	172	0	0	0	108.7	R35 I39 N62 C63 R64 L324 Q325	R35-I37 PolarHBondContact O-N 3.44Å; I37-I39 HydrophobicContact CG2-CG1 4.31Å; I37-N62 PolarHBondContact N-O 2.9Å; I37-C63 HydrophobicContact CB-CB 4.42Å; I37-C63 VanDerWaalsContact CB-SG 3.57Å; I37-C63 VanDerWaalsContact CG2-SG 3.54Å; I37-C63 CarbonylContact O-C 3.48Å; I37-C63 VanDerWaalsContact O-CA 3.26Å; I37-C63 WeakPolarHBondContact O-CA 3.5Å; I37-R64 PolarHBondContact O-N 3.11Å; I37-L324 HydrophobicContact CD1-CB 3.9Å; I37-L324 HydrophobicContact CG2-CB 3.89Å; I37-L324 HydrophobicContact CG2-CD1 3.72Å; I37-L324 HydrophobicContact CG2-CG 4.46Å; I37-Q325 HydrophobicContact CD1-CB 4.07Å; I37-Q325 HydrophobicContact CD1-CG 3.43Å; I37-Q325 VanDerWaalsContact CD1-CG 3.43Å
38	T	97.2	Very high	78.2	Confident	10 Å²	10	70.4 Å²	70.4	6%	0.061	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.6	175	-61.8	0	0	0	0	109.5	R64 T66 S75 S76 A77	T38-R64 PolarHBondContact OG1-NH2 3.07Å; T38-T66 HydrophobicContact CG2-CG2 3.58Å; T38-S75 CarbonylContact O-C 3.58Å; T38-S75 WeakPolarHBondContact O-CA 3.41Å; T38-S76 PolarHBondContact O-N 3.16Å; T38-A77 PolarHBondContact O-N 3.12Å
39	I	98.4	Very high	81.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.7	172.5	-58.9	168.9	0	0	0	107.2	I37 R64 I65 T66 A77 V79 L320 C321 L324	I37-I39 HydrophobicContact CG2-CG1 4.31Å; I39-R64 PolarHBondContact N-O 2.79Å; I39-I65 HydrophobicContact CB-CD1 3.69Å; I39-I65 HydrophobicContact CD1-CD1 3.83Å; I39-I65 HydrophobicContact CG1-CD1 4.28Å; I39-I65 HydrophobicContact CG2-CD1 4.03Å; I39-I65 WeakPolarHBondContact O-CA 3.35Å; I39-T66 PolarHBondContact O-N 2.95Å; I39-A77 CarbonylContact C-O 3.55Å; I39-A77 WeakPolarHBondContact CA-O 3.39Å; I39-V79 HydrophobicContact CG2-CG2 3.63Å; I39-L320 HydrophobicContact CD1-CD2 4.01Å; I39-L320 HydrophobicContact CD1-CG 4.04Å; I39-L320 HydrophobicContact CG2-CD2 3.96Å; I39-C321 HydrophobicContact CD1-CB 4.3Å; I39-L324 HydrophobicContact CD1-CD1 4.03Å; I39-L324 HydrophobicContact CG1-CD1 3.75Å
40	L	98.5	Very high	84.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.3	177.3	172.7	59.8	0	0	0	110	W42 T66 N68 L72 A77 V78 V79	L40-W42 HydrophobicContact CD2-CE3 4.02Å; L40-W42 HydrophobicContact CD2-CZ3 4.31Å; L40-W42 PolarHBondContact O-N 3.39Å; L40-T66 WeakPolarHBondContact CA-O 3.39Å; L40-T66 HydrophobicContact CB-CG2 4.25Å; L40-T66 HydrophobicContact CD1-CG2 3.96Å; L40-N68 WeakPolarHBondContact CD1-O 3.48Å; L40-L72 HydrophobicContact CD2-CB 4.15Å; L40-L72 HydrophobicContact CD2-CD1 4.32Å; L40-A77 PolarHBondContact N-O 3.08Å; L40-V78 HydrophobicContact CB-CG2 4.43Å; L40-V78 HydrophobicContact CD2-CG1 4.26Å; L40-V78 HydrophobicContact CD2-CG2 4.31Å; L40-V78 HydrophobicContact CG-CG1 4.33Å; L40-V78 CarbonylContact O-C 3.59Å; L40-V78 WeakPolarHBondContact O-CA 3.47Å; L40-V79 PolarHBondContact O-N 3.15Å
41	M	98.6	Very high	86.7	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	109.2	163.8	-65.4	-59.5	-53.5	0	0	108.6	V43 F50 I65 T66 N67 V79 F103 F317	M41-V43 VanDerWaalsContact C-N 3.33Å; M41-F50 HydrophobicContact CE-CD2 3.82Å; M41-F50 HydrophobicContact CE-CE2 4.27Å; M41-F50 HydrophobicContact CG-CB 4.39Å; M41-F50 HydrophobicContact SD-CD2 4.1Å; M41-I65 HydrophobicContact CG-CG2 4.09Å; M41-T66 PolarHBondContact N-O 2.86Å; M41-N67 WeakPolarHBondContact CB-OD1 3.25Å; M41-V79 HydrophobicContact CE-CB 4.17Å; M41-V79 HydrophobicContact CE-CG1 3.94Å; M41-V79 HydrophobicContact SD-CB 3.71Å; M41-V79 HydrophobicContact SD-CG1 3.92Å; M41-V79 HydrophobicContact SD-CG2 4.22Å; M41-F103 HydrophobicContact CE-CD1 4.48Å; M41-F317 HydrophobicContact CE-CZ 4.44Å; M41-F317 HydrophobicContact SD-CE1 3.71Å; M41-F317 HydrophobicContact SD-CZ 3.69Å
42	W	98.4	Very high	89.2	Confident	21 Å²	21	60.2 Å²	60.2	8%	0.08	31%	0.309	C	S	.	.	S	Bend	trans	-68.6	-36.2	-177.8	-172	-109.9	0	0	0	112.6	L40 R69 L72 V78 V79 F80 D89 P91	L40-W42 HydrophobicContact CD2-CE3 4.02Å; L40-W42 HydrophobicContact CD2-CZ3 4.31Å; L40-W42 PolarHBondContact O-N 3.39Å; W42-R69 VanDerWaalsContact CE2-CZ 3.48Å; W42-R69 HydrophobicContact CE3-CG 4.15Å; W42-R69 HydrophobicContact CH2-CG 4.42Å; W42-R69 HydrophobicContact CZ3-CB 4.19Å; W42-R69 HydrophobicContact CZ3-CG 3.98Å; W42-R69 PolarHBondContact O-NE 3.38Å; W42-R69 PolarHBondContact O-NH2 3.49Å; W42-L72 HydrophobicContact CZ3-CD1 4.32Å; W42-L72 HydrophobicContact CZ3-CD2 4.42Å; W42-V78 HydrophobicContact CB-CG1 3.78Å; W42-V78 HydrophobicContact CD2-CG1 4.38Å; W42-V78 HydrophobicContact CE3-CG1 4.02Å; W42-V78 HydrophobicContact CG-CG1 4.33Å; W42-V79 PolarHBondContact N-O 3.36Å; W42-F80 HydrophobicContact CB-CD1 3.73Å; W42-F80 HydrophobicContact CB-CE1 3.72Å; W42-F80 HydrophobicContact CB-CG 4.36Å; W42-F80 HydrophobicContact CB-CZ 4.33Å; W42-F80 AromaticContact CD1-CD1 3.51Å; W42-F80 AromaticContact CD1-CE1 3.37Å; W42-F80 AromaticContact CD2-CE1 3.99Å; W42-F80 HydrophobicContact CD2-CE1 3.99Å; W42-F80 AromaticContact CG-CD1 3.72Å; W42-F80 HydrophobicContact CG-CD1 3.72Å; W42-F80 AromaticContact CG-CE1 3.39Å; W42-F80 HydrophobicContact CG-CE1 3.39Å; W42-F80 HydrophobicContact CG-CZ 4.22Å; W42-F80 AromaticContact NE1-CE1 3.93Å; W42-D89 PolarHBondContact NE1-O 3.15Å; W42-P91 HydrophobicContact CD2-CG 4.15Å; W42-P91 HydrophobicContact CE3-CG 4.01Å; W42-P91 HydrophobicContact CH2-CB 4.37Å; W42-P91 HydrophobicContact CH2-CG 3.65Å; W42-P91 HydrophobicContact CZ2-CG 3.79Å; W42-P91 HydrophobicContact CZ3-CG 3.77Å
43	V	98	Very high	91.6	Very high	18 Å²	18	60.9 Å²	60.9	11%	0.109	31%	0.312	C	S	.	.	S	Bend	trans	-135.9	152.4	177.6	-69.5	0	0	0	0	109.6	M41 H81 N84 V85	M41-V43 VanDerWaalsContact C-N 3.33Å; V43-H81 HydrophobicContact CG2-CB 4.05Å; V43-N84 HydrophobicContact CB-CB 4.24Å; V43-N84 HydrophobicContact CG2-CB 4.03Å; V43-V85 HydrophobicContact CG2-CB 4.39Å
44	S	97.4	Very high	93.7	Very high	36 Å²	36	57.2 Å²	57.2	25%	0.252	29%	0.294	S	S	.	.			trans	-64.4	148.5	173.4	-53.9	0	0	0	0	111.5	F46 T48 K49 N84	S44-F46 PolarHBondContact O-N 3Å; S44-T48 WeakPolarHBondContact CA-O 3.06Å; S44-T48 WeakPolarHBondContact CB-O 3.4Å; S44-K49 WeakPolarHBondContact OG-CG 3.41Å; S44-N84 WeakPolarHBondContact O-CB 3.21Å; S44-N84 PolarHBondContact O-OD1 2.92Å; S44-N84 VanDerWaalsContact O-OD1 3.12Å
45	F	96.9	Very high	95.4	Very high	18 Å²	18	50.9 Å²	50.9	8%	0.079	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-85.6	100.9	172.1	175	-103.8	0	0	0	109.8	G47 T48 F50 H81 F103 L105 Y313	F45-G47 PolarHBondContact O-N 3.33Å; F45-G47 VanDerWaalsContact O-N 3.14Å; F45-T48 PolarHBondContact N-O 2.98Å; F45-T48 WeakPolarHBondContact O-CA 3.47Å; F45-T48 VanDerWaalsContact O-CB 3.26Å; F45-T48 WeakPolarHBondContact O-CB 3.41Å; F45-T48 PolarHBondContact O-N 2.93Å; F45-F50 HydrophobicContact CB-CD2 4.33Å; F45-F50 HydrophobicContact CB-CE2 3.5Å; F45-F50 VanDerWaalsContact CB-CE2 3.5Å; F45-F50 HydrophobicContact CB-CZ 3.85Å; F45-F50 HydrophobicContact CD1-CE2 4.24Å; F45-F50 AromaticContact CD1-CZ 3.72Å; F45-F50 HydrophobicContact CD1-CZ 3.72Å; F45-F50 HydrophobicContact CE1-CZ 4.49Å; F45-F50 AromaticContact CG-CE2 3.91Å; F45-F50 HydrophobicContact CG-CE2 3.91Å; F45-F50 AromaticContact CG-CZ 3.87Å; F45-F50 HydrophobicContact CG-CZ 3.87Å; F45-H81 AromaticContact CD2-CD2 3.52Å; F45-H81 AromaticContact CD2-CE1 3.55Å; F45-H81 AromaticContact CD2-CG 3.74Å; F45-H81 AromaticContact CD2-ND1 3.77Å; F45-H81 AromaticContact CD2-NE2 3.42Å; F45-H81 WeakPolarHBondContact CD2-NE2 3.49Å; F45-H81 AromaticContact CE2-CD2 3.84Å; F45-H81 AromaticContact CE2-CE1 3.82Å; F45-H81 AromaticContact CE2-NE2 3.39Å; F45-H81 WeakPolarHBondContact CE2-NE2 3.41Å; F45-F103 HydrophobicContact CB-CE1 4.35Å; F45-F103 HydrophobicContact CD2-CD1 4.38Å; F45-F103 AromaticContact CD2-CE1 3.45Å; F45-F103 HydrophobicContact CD2-CE1 3.45Å; F45-F103 VanDerWaalsContact CD2-CE1 3.45Å; F45-F103 AromaticContact CD2-CZ 3.92Å; F45-F103 HydrophobicContact CD2-CZ 3.92Å; F45-F103 HydrophobicContact CE2-CE1 4Å; F45-F103 HydrophobicContact CE2-CZ 4.02Å; F45-F103 HydrophobicContact CG-CE1 4.1Å; F45-L105 HydrophobicContact CE2-CD1 4.47Å; F45-L105 HydrophobicContact CZ-CD1 4.14Å; F45-Y313 HydrophobicContact CE1-CE1 4.03Å
46	F	95.2	Very high	96.4	Very high	102 Å²	102	48.7 Å²	48.7	45%	0.447	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	40.4	-175.4	-62.6	-71.2	0	0	0	113.5	S44 T48 H81 R83 N84 E106	S44-F46 PolarHBondContact O-N 3Å; F46-T48 VanDerWaalsContact C-N 3.3Å; F46-T48 PolarHBondContact O-N 3.41Å; F46-H81 AromaticContact CD2-CE1 3.6Å; F46-H81 AromaticContact CE2-CE1 3.33Å; F46-H81 WeakPolarHBondContact CE2-CE1 3.49Å; F46-H81 AromaticContact CE2-NE2 3.62Å; F46-H81 AromaticContact CZ-CE1 3.59Å; F46-R83 HydrophobicContact CE1-CB 4.16Å; F46-R83 HydrophobicContact CZ-CB 4.12Å; F46-R83 HydrophobicContact CZ-CG 4.41Å; F46-N84 PolarHBondContact N-OD1 2.95Å; F46-E106 HydrophobicContact CZ-CG 4.41Å
47	G	95.5	Very high	96.7	Very high	61 Å²	61	46.7 Å²	46.7	63%	0.629	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-16.7	-177	0	0	0	0	0	114.8	F45 K49	F45-G47 PolarHBondContact O-N 3.33Å; F45-G47 VanDerWaalsContact O-N 3.14Å; G47-K49 PolarHBondContact O-N 2.98Å
48	T	95.7	Very high	96.8	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.46	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-75.2	124.2	173.6	-56.1	0	0	0	0	111	S44 F45 F46 F50	S44-T48 WeakPolarHBondContact CA-O 3.06Å; S44-T48 WeakPolarHBondContact CB-O 3.4Å; F45-T48 PolarHBondContact N-O 2.98Å; F45-T48 WeakPolarHBondContact O-CA 3.47Å; F45-T48 VanDerWaalsContact O-CB 3.26Å; F45-T48 WeakPolarHBondContact O-CB 3.41Å; F45-T48 PolarHBondContact O-N 2.93Å; F46-T48 VanDerWaalsContact C-N 3.3Å; F46-T48 PolarHBondContact O-N 3.41Å; T48-F50 HydrophobicContact CG2-CD1 4.3Å; T48-F50 HydrophobicContact CG2-CE1 4.24Å
49	K	97.4	Very high	96.6	Very high	144 Å²	144	51.5 Å²	51.5	63%	0.626	28%	0.284	S	S	*	.			trans	-91.9	111.6	168.1	-67.9	-176.7	178.9	-177.5	0	108.5	S44 G47	S44-K49 WeakPolarHBondContact OG-CG 3.41Å; G47-K49 PolarHBondContact O-N 2.98Å
50	F	97.4	Very high	96.3	Very high	10 Å²	10	57.9 Å²	57.9	4%	0.044	32%	0.318	C	S	.	.			trans	-68.8	138.3	173.8	-64.8	-58.5	0	0	0	109.9	M41 F45 T48 V54 I65 N67 F103 Y313 F317	M41-F50 HydrophobicContact CE-CD2 3.82Å; M41-F50 HydrophobicContact CE-CE2 4.27Å; M41-F50 HydrophobicContact CG-CB 4.39Å; M41-F50 HydrophobicContact SD-CD2 4.1Å; F45-F50 HydrophobicContact CB-CD2 4.33Å; F45-F50 HydrophobicContact CB-CE2 3.5Å; F45-F50 VanDerWaalsContact CB-CE2 3.5Å; F45-F50 HydrophobicContact CB-CZ 3.85Å; F45-F50 HydrophobicContact CD1-CE2 4.24Å; F45-F50 AromaticContact CD1-CZ 3.72Å; F45-F50 HydrophobicContact CD1-CZ 3.72Å; F45-F50 HydrophobicContact CE1-CZ 4.49Å; F45-F50 AromaticContact CG-CE2 3.91Å; F45-F50 HydrophobicContact CG-CE2 3.91Å; F45-F50 AromaticContact CG-CZ 3.87Å; F45-F50 HydrophobicContact CG-CZ 3.87Å; T48-F50 HydrophobicContact CG2-CD1 4.3Å; T48-F50 HydrophobicContact CG2-CE1 4.24Å; F50-V54 HydrophobicContact CB-CG1 4.14Å; F50-V54 HydrophobicContact CB-CG2 4.46Å; F50-V54 HydrophobicContact CD1-CG1 3.67Å; F50-V54 HydrophobicContact CE1-CG1 4.45Å; F50-V54 HydrophobicContact CG-CG1 4.2Å; F50-I65 HydrophobicContact CB-CG2 4.32Å; F50-I65 WeakPolarHBondContact O-CG2 3.42Å; F50-N67 PolarHBondContact O-ND2 3.07Å; F50-F103 HydrophobicContact CE2-CE1 4.04Å; F50-F103 HydrophobicContact CE2-CZ 4.4Å; F50-Y313 AromaticContact CE1-CD1 3.73Å; F50-Y313 HydrophobicContact CE1-CD1 3.73Å; F50-Y313 HydrophobicContact CE1-CD2 4.24Å; F50-Y313 HydrophobicContact CE1-CE1 4.09Å; F50-Y313 AromaticContact CE1-CG 3.83Å; F50-Y313 HydrophobicContact CE1-CG 3.83Å; F50-Y313 AromaticContact CZ-CD1 3.64Å; F50-Y313 HydrophobicContact CZ-CD1 3.64Å; F50-Y313 AromaticContact CZ-CE1 3.82Å; F50-Y313 HydrophobicContact CZ-CE1 3.82Å; F50-Y313 HydrophobicContact CZ-CG 4.24Å; F50-F317 HydrophobicContact CB-CE2 4.36Å; F50-F317 HydrophobicContact CB-CZ 4.31Å; F50-F317 HydrophobicContact CD1-CE2 4.17Å; F50-F317 AromaticContact CD2-CE2 3.54Å; F50-F317 HydrophobicContact CD2-CE2 3.54Å; F50-F317 AromaticContact CD2-CZ 3.4Å; F50-F317 HydrophobicContact CD2-CZ 3.4Å; F50-F317 HydrophobicContact CE1-CE2 4.34Å; F50-F317 AromaticContact CE2-CE2 3.72Å; F50-F317 HydrophobicContact CE2-CE2 3.72Å; F50-F317 AromaticContact CE2-CZ 3.8Å; F50-F317 HydrophobicContact CE2-CZ 3.8Å; F50-F317 AromaticContact CG-CE2 3.77Å; F50-F317 HydrophobicContact CG-CE2 3.77Å; F50-F317 AromaticContact CG-CZ 3.94Å; F50-F317 HydrophobicContact CG-CZ 3.94Å; F50-F317 HydrophobicContact CZ-CE2 4.13Å
51	D	96	Very high	96	Very high	70 Å²	70	58.9 Å²	58.9	37%	0.374	32%	0.323	S	S	.	.			trans	-121.7	-171.4	179.7	66.1	13	0	0	0	110.1	K53 V54	D51-K53 PolarHBondContact O-N 3.07Å; D51-K53 WeakPolarHBondContact OD1-CB 3.41Å; D51-K53 VanDerWaalsContact OD1-CG 3.25Å; D51-K53 WeakPolarHBondContact OD1-CG 3.28Å; D51-K53 PolarHBondContact OD1-N 3.48Å; D51-K53 IonicContact OD2-NZ 3.87Å; D51-V54 WeakPolarHBondContact O-CG2 3.32Å; D51-V54 PolarHBondContact O-N 3.1Å
52	Q	96.8	Very high	95.6	Very high	92 Å²	92	61.8 Å²	61.8	43%	0.43	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-58.4	-18.4	-179.1	-163.9	60.7	23.7	0	0	113.9	V54 L55 C63 R64 I65	Q52-V54 PolarHBondContact O-N 3.21Å; Q52-L55 PolarHBondContact O-N 2.9Å; Q52-C63 PolarHBondContact NE2-O 2.75Å; Q52-R64 VanDerWaalsContact OE1-CA 3.3Å; Q52-I65 VanDerWaalsContact OE1-N 3.13Å
53	K	96.2	Very high	95.5	Very high	147 Å²	147	61.2 Å²	61.2	64%	0.639	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-63.5	-27.4	-178.8	-61.5	171.7	-176.5	167.1	0	112.5	D51 L55 S56	D51-K53 PolarHBondContact O-N 3.07Å; D51-K53 WeakPolarHBondContact OD1-CB 3.41Å; D51-K53 VanDerWaalsContact OD1-CG 3.25Å; D51-K53 WeakPolarHBondContact OD1-CG 3.28Å; D51-K53 PolarHBondContact OD1-N 3.48Å; D51-K53 IonicContact OD2-NZ 3.87Å; K53-L55 PolarHBondContact O-N 3.45Å; K53-L55 VanDerWaalsContact O-N 3.13Å; K53-S56 WeakPolarHBondContact O-CB 3.5Å; K53-S56 PolarHBondContact O-N 3.24Å; K53-S56 PolarHBondContact O-OG 3.11Å
54	V	96.5	Very high	95.5	Very high	10 Å²	10	64.8 Å²	64.8	6%	0.061	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-70.2	-3	175.4	-51	0	0	0	0	113.1	F50 D51 Q52 I65 E314 F317	F50-V54 HydrophobicContact CB-CG1 4.14Å; F50-V54 HydrophobicContact CB-CG2 4.46Å; F50-V54 HydrophobicContact CD1-CG1 3.67Å; F50-V54 HydrophobicContact CE1-CG1 4.45Å; F50-V54 HydrophobicContact CG-CG1 4.2Å; D51-V54 WeakPolarHBondContact O-CG2 3.32Å; D51-V54 PolarHBondContact O-N 3.1Å; Q52-V54 PolarHBondContact O-N 3.21Å; V54-I65 HydrophobicContact CG2-CD1 4.28Å; V54-I65 HydrophobicContact CG2-CG1 3.69Å; V54-E314 VanDerWaalsContact O-CA 3.24Å; V54-E314 WeakPolarHBondContact O-CA 3.44Å; V54-F317 HydrophobicContact CB-CB 4.2Å; V54-F317 HydrophobicContact CB-CD2 3.71Å; V54-F317 HydrophobicContact CB-CE2 4.43Å; V54-F317 HydrophobicContact CB-CG 4.14Å; V54-F317 HydrophobicContact CG1-CD2 4.18Å; V54-F317 HydrophobicContact CG1-CE2 4.47Å; V54-F317 HydrophobicContact CG2-CB 3.73Å; V54-F317 HydrophobicContact CG2-CD1 4.18Å; V54-F317 HydrophobicContact CG2-CD2 3.49Å; V54-F317 VanDerWaalsContact CG2-CD2 3.49Å; V54-F317 HydrophobicContact CG2-CE2 4.13Å; V54-F317 HydrophobicContact CG2-CG 3.53Å
55	L	96.5	Very high	95.5	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.037	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-110.6	7.4	172.8	-62.9	173.8	0	0	0	112.3	Q52 K53 I57 C58 C63 I65 F317 C321	Q52-L55 PolarHBondContact O-N 2.9Å; K53-L55 PolarHBondContact O-N 3.45Å; K53-L55 VanDerWaalsContact O-N 3.13Å; L55-I57 PolarHBondContact O-N 2.03Å; L55-I57 VanDerWaalsContact O-N 3.11Å; L55-C58 CarbonylContact O-C 3.52Å; L55-C58 PolarHBondContact O-N 3.3Å; L55-C63 HydrophobicContact CD1-CB 3.62Å; L55-C63 VanDerWaalsContact CD1-O 3.28Å; L55-C63 WeakPolarHBondContact CD1-O 3.5Å; L55-C63 HydrophobicContact CD2-CB 4.46Å; L55-I65 HydrophobicContact CD1-CD1 3.81Å; L55-I65 HydrophobicContact CD1-CG1 3.67Å; L55-I65 HydrophobicContact CD2-CD1 4.42Å; L55-I65 HydrophobicContact CG-CD1 4.15Å; L55-I65 HydrophobicContact CG-CG1 3.95Å; L55-F317 HydrophobicContact CD2-CB 4.03Å; L55-C321 HydrophobicContact CD2-CB 4.16Å
56	S	95.5	Very high	95.5	Very high	76 Å²	76	63.5 Å²	63.5	53%	0.531	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.6	-173.5	56.9	0	0	0	0	114.9	K53	K53-S56 WeakPolarHBondContact O-CB 3.5Å; K53-S56 PolarHBondContact O-N 3.24Å; K53-S56 PolarHBondContact O-OG 3.11Å
57	I	94.5	Very high	95.7	Very high	77 Å²	77	61 Å²	61	40%	0.395	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.5	178.9	73.2	177.3	0	0	0	113.7	L55 L311 E314 C318	L55-I57 PolarHBondContact O-N 2.03Å; L55-I57 VanDerWaalsContact O-N 3.11Å; I57-L311 HydrophobicContact CG2-CD2 3.79Å; I57-E314 HydrophobicContact CD1-CB 3.56Å; I57-E314 HydrophobicContact CG1-CB 3.84Å; I57-E314 HydrophobicContact CG2-CB 4.24Å; I57-E314 HydrophobicContact CG2-CG 4.38Å; I57-C318 WeakPolarHBondContact CG1-SG 3.4Å
58	C	95.3	Very high	95.8	Very high	17 Å²	17	61.8 Å²	61.8	12%	0.115	32%	0.322	C	S	.	.			trans	-140.7	52.7	179.8	60.3	0	0	0	0	112.5	L55 D60 L61 C318	L55-C58 CarbonylContact O-C 3.52Å; L55-C58 PolarHBondContact O-N 3.3Å; C58-D60 PolarHBondContact O-N 3.47Å; C58-D60 VanDerWaalsContact O-N 3.11Å; C58-L61 HydrophobicContact CB-CD1 3.69Å; C58-L61 HydrophobicContact CB-CG 4Å; C58-L61 PolarHBondContact O-N 2.89Å; C58-L61 VanDerWaalsContact O-N 3.07Å; C58-C318 HydrophobicContact CB-CB 3.69Å; C58-C318 WeakPolarHBondContact CB-SG 3.21Å; C58-C318 WeakPolarHBondContact SG-CA 3.35Å; C58-C318 WeakPolarHBondContact SG-CB 3.47Å; C58-C318 CovalentContact SG-SG 2.02Å; C58-C318 PolarHBondContact SG-SG 3Å
59	P	92.9	Very high	95.9	Very high	99 Å²	99	62.2 Å²	62.2	64%	0.643	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-57.6	-29.7	-177.4	25.9	-35.3	0	0	0	113	L61 N62	P59-L61 PolarHBondContact O-N 2.95Å; P59-N62 PolarHBondContact O-N 3.03Å
60	D	92.8	Very high	95.8	Very high	134 Å²	134	60.6 Å²	60.6	72%	0.717	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.6	-178.9	-53.7	-29.9	0	0	0	114	C58 N62	C58-D60 PolarHBondContact O-N 3.47Å; C58-D60 VanDerWaalsContact O-N 3.11Å; D60-N62 VanDerWaalsContact C-N 3.29Å; D60-N62 PolarHBondContact O-N 2.84Å
61	L	92	Very high	95.8	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.11	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-85.6	5.6	-179.6	-58.5	178.6	0	0	0	113.8	C58 P59 C63 C318 C321 Q325	C58-L61 HydrophobicContact CB-CD1 3.69Å; C58-L61 HydrophobicContact CB-CG 4Å; C58-L61 PolarHBondContact O-N 2.89Å; C58-L61 VanDerWaalsContact O-N 3.07Å; P59-L61 PolarHBondContact O-N 2.95Å; L61-C63 PolarHBondContact O-N 2.68Å; L61-C63 PolarHBondContact O-SG 3.14Å; L61-C318 WeakPolarHBondContact CD1-O 3.48Å; L61-C321 HydrophobicContact CB-CB 4.47Å; L61-C321 WeakPolarHBondContact CB-SG 3.46Å; L61-C321 HydrophobicContact CD1-CB 4.17Å; L61-C321 PolarHBondContact O-SG 3.23Å; L61-C321 VanDerWaalsContact O-SG 3.34Å; L61-Q325 VanDerWaalsContact CD2-OE1 3.27Å; L61-Q325 PolarHBondContact O-NE2 3.39Å
62	N	90.8	Very high	95.8	Very high	62 Å²	62	59.7 Å²	59.7	33%	0.332	32%	0.316	S	S	.	.			trans	40.6	40	172	-163.8	20.8	0	0	0	115.1	N34 N36 I37 P59 D60	N34-N62 PolarHBondContact OD1-ND2 3.35Å; N36-N62 PolarHBondContact OD1-ND2 3.13Å; I37-N62 PolarHBondContact N-O 2.9Å; P59-N62 PolarHBondContact O-N 3.03Å; D60-N62 VanDerWaalsContact C-N 3.29Å; D60-N62 PolarHBondContact O-N 2.84Å
63	C	96.4	Very high	95.8	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	153.9	174.6	-71.8	0	0	0	0	110.7	I37 Q52 L55 L61 C321	I37-C63 HydrophobicContact CB-CB 4.42Å; I37-C63 VanDerWaalsContact CB-SG 3.57Å; I37-C63 VanDerWaalsContact CG2-SG 3.54Å; I37-C63 CarbonylContact O-C 3.48Å; I37-C63 VanDerWaalsContact O-CA 3.26Å; I37-C63 WeakPolarHBondContact O-CA 3.5Å; Q52-C63 PolarHBondContact NE2-O 2.75Å; L55-C63 HydrophobicContact CD1-CB 3.62Å; L55-C63 VanDerWaalsContact CD1-O 3.28Å; L55-C63 WeakPolarHBondContact CD1-O 3.5Å; L55-C63 HydrophobicContact CD2-CB 4.46Å; L61-C63 PolarHBondContact O-N 2.68Å; L61-C63 PolarHBondContact O-SG 3.14Å; C63-C321 HydrophobicContact CB-CB 3.85Å; C63-C321 WeakPolarHBondContact CB-SG 3.41Å; C63-C321 VanDerWaalsContact SG-CA 3.51Å; C63-C321 WeakPolarHBondContact SG-CB 3.45Å; C63-C321 CovalentContact SG-SG 2Å; C63-C321 PolarHBondContact SG-SG 3.2Å
64	R	96.9	Very high	95.7	Very high	93 Å²	93	57.7 Å²	57.7	35%	0.351	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.5	171	-174.9	175.6	57.5	97.5	6.4	110.8	I37 T38 I39 Q52 E71	I37-R64 PolarHBondContact O-N 3.11Å; T38-R64 PolarHBondContact OG1-NH2 3.07Å; I39-R64 PolarHBondContact N-O 2.79Å; Q52-R64 VanDerWaalsContact OE1-CA 3.3Å; R64-E71 IonicContact CZ-OE2 3.14Å; R64-E71 VanDerWaalsContact NH1-CD 3.33Å; R64-E71 IonicContact NH1-OE1 3Å; R64-E71 PolarHBondContact NH1-OE1 3.45Å; R64-E71 IonicContact NH1-OE2 2.84Å; R64-E71 PolarHBondContact NH1-OE2 2.61Å; R64-E71 IonicContact NH2-OE2 2.61Å; R64-E71 PolarHBondContact NH2-OE2 3.3Å
65	I	98	Very high	95.7	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.6	169.1	-53	-54.9	0	0	0	109.3	I39 M41 F50 Q52 V54 L55 F317	I39-I65 HydrophobicContact CB-CD1 3.69Å; I39-I65 HydrophobicContact CD1-CD1 3.83Å; I39-I65 HydrophobicContact CG1-CD1 4.28Å; I39-I65 HydrophobicContact CG2-CD1 4.03Å; I39-I65 WeakPolarHBondContact O-CA 3.35Å; M41-I65 HydrophobicContact CG-CG2 4.09Å; F50-I65 HydrophobicContact CB-CG2 4.32Å; F50-I65 WeakPolarHBondContact O-CG2 3.42Å; Q52-I65 VanDerWaalsContact OE1-N 3.13Å; V54-I65 HydrophobicContact CG2-CD1 4.28Å; V54-I65 HydrophobicContact CG2-CG1 3.69Å; L55-I65 HydrophobicContact CD1-CD1 3.81Å; L55-I65 HydrophobicContact CD1-CG1 3.67Å; L55-I65 HydrophobicContact CD2-CD1 4.42Å; L55-I65 HydrophobicContact CG-CD1 4.15Å; L55-I65 HydrophobicContact CG-CG1 3.95Å; I65-F317 HydrophobicContact CD1-CD1 3.92Å; I65-F317 HydrophobicContact CD1-CE1 4.41Å
66	T	98.1	Very high	95.6	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.08	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.5	173.1	-173.9	0	0	0	0	111.1	T38 I39 L40 M41 N68 E71	T38-T66 HydrophobicContact CG2-CG2 3.58Å; I39-T66 PolarHBondContact O-N 2.95Å; L40-T66 WeakPolarHBondContact CA-O 3.39Å; L40-T66 HydrophobicContact CB-CG2 4.25Å; L40-T66 HydrophobicContact CD1-CG2 3.96Å; M41-T66 PolarHBondContact N-O 2.86Å; T66-N68 WeakPolarHBondContact OG1-CB 3.37Å; T66-N68 PolarHBondContact OG1-N 2.82Å; T66-N68 VanDerWaalsContact OG1-N 3.09Å; T66-E71 WeakPolarHBondContact CB-OE1 3.4Å; T66-E71 HydrophobicContact CG2-CB 4.2Å; T66-E71 PolarHBondContact OG1-OE1 2.8Å
67	N	98.3	Very high	95.7	Very high	49 Å²	49	54 Å²	54	26%	0.262	30%	0.297	S	S	.	.			trans	-114.5	9.4	169.4	-59.9	-100.7	0	0	0	110.6	M41 F50 R69	M41-N67 WeakPolarHBondContact CB-OD1 3.25Å; F50-N67 PolarHBondContact O-ND2 3.07Å; N67-R69 PolarHBondContact O-N 2.81Å
68	N	97.9	Very high	95.9	Very high	79 Å²	79	50.3 Å²	50.3	42%	0.422	28%	0.278	S	S	.	.			trans	-84.8	107.2	-179.6	-178.5	6	0	0	0	109.9	L40 T66 S70 E71	L40-N68 WeakPolarHBondContact CD1-O 3.48Å; T66-N68 WeakPolarHBondContact OG1-CB 3.37Å; T66-N68 PolarHBondContact OG1-N 2.82Å; T66-N68 VanDerWaalsContact OG1-N 3.09Å; N68-S70 PolarHBondContact O-N 3.45Å; N68-S70 WeakPolarHBondContact OD1-CB 3.41Å; N68-S70 PolarHBondContact OD1-N 3.08Å; N68-S70 PolarHBondContact OD1-OG 3.39Å; N68-E71 HydrophobicContact CB-CG 4.07Å; N68-E71 WeakPolarHBondContact O-CB 3.34Å; N68-E71 PolarHBondContact O-N 3.31Å
69	R	96.9	Very high	96.1	Very high	84 Å²	84	49.5 Å²	49.5	32%	0.317	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.1	-22.9	-177	-70	-169.6	170.7	-168.9	0.7	114.3	W42 N67 E71 L72 D89	W42-R69 VanDerWaalsContact CE2-CZ 3.48Å; W42-R69 HydrophobicContact CE3-CG 4.15Å; W42-R69 HydrophobicContact CH2-CG 4.42Å; W42-R69 HydrophobicContact CZ3-CB 4.19Å; W42-R69 HydrophobicContact CZ3-CG 3.98Å; W42-R69 PolarHBondContact O-NE 3.38Å; W42-R69 PolarHBondContact O-NH2 3.49Å; N67-R69 PolarHBondContact O-N 2.81Å; R69-E71 PolarHBondContact O-N 3.28Å; R69-E71 VanDerWaalsContact O-N 3.12Å; R69-L72 WeakPolarHBondContact O-CB 3.46Å; R69-L72 PolarHBondContact O-N 3.38Å; R69-L72 VanDerWaalsContact O-N 3.1Å; R69-D89 IonicContact CZ-OD1 3.66Å; R69-D89 IonicContact CZ-OD2 3.26Å; R69-D89 VanDerWaalsContact CZ-OD2 3.26Å; R69-D89 IonicContact NH1-OD1 2.65Å; R69-D89 PolarHBondContact NH1-OD1 3.2Å; R69-D89 IonicContact NH1-OD2 2.96Å; R69-D89 PolarHBondContact NH1-OD2 3.44Å; R69-D89 IonicContact NH2-OD1 3.84Å; R69-D89 IonicContact NH2-OD2 2.7Å; R69-D89 PolarHBondContact NH2-OD2 3.42Å
70	S	97	Very high	96.4	Very high	109 Å²	109	44.8 Å²	44.8	76%	0.762	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.3	-15	173.9	-53.2	0	0	0	0	112.9	N68 L72	N68-S70 PolarHBondContact O-N 3.45Å; N68-S70 WeakPolarHBondContact OD1-CB 3.41Å; N68-S70 PolarHBondContact OD1-N 3.08Å; N68-S70 PolarHBondContact OD1-OG 3.39Å; S70-L72 VanDerWaalsContact C-N 3.32Å
71	E	96.6	Very high	96.7	Very high	35 Å²	35	38.4 Å²	38.4	16%	0.164	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-91.1	11.2	177	-54.4	-167.3	-113.3	0	0	113.4	R64 T66 N68 R69 N73 S74 S75	R64-E71 IonicContact CZ-OE2 3.14Å; R64-E71 VanDerWaalsContact NH1-CD 3.33Å; R64-E71 IonicContact NH1-OE1 3Å; R64-E71 PolarHBondContact NH1-OE1 3.45Å; R64-E71 IonicContact NH1-OE2 2.84Å; R64-E71 PolarHBondContact NH1-OE2 2.61Å; R64-E71 IonicContact NH2-OE2 2.61Å; R64-E71 PolarHBondContact NH2-OE2 3.3Å; T66-E71 WeakPolarHBondContact CB-OE1 3.4Å; T66-E71 HydrophobicContact CG2-CB 4.2Å; T66-E71 PolarHBondContact OG1-OE1 2.8Å; N68-E71 HydrophobicContact CB-CG 4.07Å; N68-E71 WeakPolarHBondContact O-CB 3.34Å; N68-E71 PolarHBondContact O-N 3.31Å; R69-E71 PolarHBondContact O-N 3.28Å; R69-E71 VanDerWaalsContact O-N 3.12Å; E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 PolarHBondContact O-N 2.85Å; E71-S74 PolarHBondContact O-N 2.93Å; E71-S74 VanDerWaalsContact O-N 3.16Å; E71-S74 PolarHBondContact O-OG 3.02Å; E71-S75 WeakPolarHBondContact O-CB 3.39Å; E71-S75 PolarHBondContact O-N 3.28Å
72	L	96.9	Very high	97	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.141	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-49.9	-51.5	175.2	173.8	65.1	0	0	0	111.1	L40 W42 R69 S70 S74 S75 V78 P91 Q98	L40-L72 HydrophobicContact CD2-CB 4.15Å; L40-L72 HydrophobicContact CD2-CD1 4.32Å; W42-L72 HydrophobicContact CZ3-CD1 4.32Å; W42-L72 HydrophobicContact CZ3-CD2 4.42Å; R69-L72 WeakPolarHBondContact O-CB 3.46Å; R69-L72 PolarHBondContact O-N 3.38Å; R69-L72 VanDerWaalsContact O-N 3.1Å; S70-L72 VanDerWaalsContact C-N 3.32Å; L72-S74 PolarHBondContact O-N 2.98Å; L72-S75 PolarHBondContact O-N 3.07Å; L72-S75 PolarHBondContact O-OG 3.19Å; L72-V78 HydrophobicContact CD1-CG2 3.63Å; L72-P91 HydrophobicContact CD1-CB 4.23Å; L72-P91 HydrophobicContact CD1-CG 4.06Å; L72-P91 HydrophobicContact CD2-CB 3.75Å; L72-P91 HydrophobicContact CD2-CG 4.25Å; L72-Q98 PolarHBondContact O-NE2 3.19Å
73	N	95.5	Very high	97.3	Very high	121 Å²	121	39.5 Å²	39.5	65%	0.647	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-74.6	-5.8	-174.8	-66.5	-14.6	0	0	0	114.5	E71 L95	E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 PolarHBondContact O-N 2.85Å; N73-L95 VanDerWaalsContact O-CD1 3.29Å; N73-L95 WeakPolarHBondContact O-CD1 3.42Å
74	S	93.9	Very high	97.4	Very high	75 Å²	75	41.2 Å²	41.2	52%	0.524	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-114	1.1	175	59.8	0	0	0	0	113	E71 L72	E71-S74 PolarHBondContact O-N 2.93Å; E71-S74 VanDerWaalsContact O-N 3.16Å; E71-S74 PolarHBondContact O-OG 3.02Å; L72-S74 PolarHBondContact O-N 2.98Å
75	S	96	Very high	97.4	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	20%	0.199	C	C	.	.			trans	-89	136.4	-179	67.8	0	0	0	0	112.6	T38 E71 L72 V78 Q98	T38-S75 CarbonylContact O-C 3.58Å; T38-S75 WeakPolarHBondContact O-CA 3.41Å; E71-S75 WeakPolarHBondContact O-CB 3.39Å; E71-S75 PolarHBondContact O-N 3.28Å; L72-S75 PolarHBondContact O-N 3.07Å; L72-S75 PolarHBondContact O-OG 3.19Å; S75-V78 WeakPolarHBondContact OG-CG2 3.22Å; S75-Q98 PolarHBondContact O-NE2 3.23Å; S75-Q98 PolarHBondContact OG-NE2 3.14Å
76	S	95.8	Very high	97.4	Very high	11 Å²	11	44 Å²	44	8%	0.077	23%	0.226	C	C	.	.	S	Bend	trans	-78.2	-27.9	174.2	-51.2	0	0	0	0	111.8	T38 Q98 H99	T38-S76 PolarHBondContact O-N 3.16Å; S76-Q98 WeakPolarHBondContact O-CA 3.31Å; S76-H99 PolarHBondContact O-N 2.92Å
77	A	98	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.2	175.4	0	0	0	0	0	111.4	T38 I39 L40 H99 V101 L324	T38-A77 PolarHBondContact O-N 3.12Å; I39-A77 CarbonylContact C-O 3.55Å; I39-A77 WeakPolarHBondContact CA-O 3.39Å; L40-A77 PolarHBondContact N-O 3.08Å; A77-H99 CarbonylContact C-O 3.57Å; A77-H99 VanDerWaalsContact CA-O 3.24Å; A77-H99 WeakPolarHBondContact CA-O 3.33Å; A77-H99 HydrophobicContact CB-CB 4.19Å; A77-V101 HydrophobicContact CB-CG2 4.14Å; A77-L324 HydrophobicContact CB-CD1 3.65Å; A77-L324 HydrophobicContact CB-CD2 4.09Å
78	V	98.7	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.5	172.9	-171.7	0	0	0	0	107.8	L40 W42 L72 S75 F80 Q98 H99 F100 V101	L40-V78 HydrophobicContact CB-CG2 4.43Å; L40-V78 HydrophobicContact CD2-CG1 4.26Å; L40-V78 HydrophobicContact CD2-CG2 4.31Å; L40-V78 HydrophobicContact CG-CG1 4.33Å; L40-V78 CarbonylContact O-C 3.59Å; L40-V78 WeakPolarHBondContact O-CA 3.47Å; W42-V78 HydrophobicContact CB-CG1 3.78Å; W42-V78 HydrophobicContact CD2-CG1 4.38Å; W42-V78 HydrophobicContact CE3-CG1 4.02Å; W42-V78 HydrophobicContact CG-CG1 4.33Å; L72-V78 HydrophobicContact CD1-CG2 3.63Å; S75-V78 WeakPolarHBondContact OG-CG2 3.22Å; V78-F80 HydrophobicContact CB-CE2 3.76Å; V78-F80 HydrophobicContact CB-CZ 4.08Å; V78-F80 HydrophobicContact CG1-CD2 4.3Å; V78-F80 HydrophobicContact CG1-CE1 4.16Å; V78-F80 HydrophobicContact CG1-CE2 3.5Å; V78-F80 HydrophobicContact CG1-CZ 3.42Å; V78-F80 VanDerWaalsContact CG1-CZ 3.42Å; V78-F80 WeakPolarHBondContact O-CD2 3.4Å; V78-F80 WeakPolarHBondContact O-CE2 3Å; V78-Q98 HydrophobicContact CG2-CG 4.1Å; V78-H99 PolarHBondContact N-O 3.19Å; V78-F100 HydrophobicContact CB-CD1 3.75Å; V78-F100 HydrophobicContact CB-CE1 3.85Å; V78-F100 HydrophobicContact CG1-CE1 4.49Å; V78-F100 HydrophobicContact CG2-CD1 4Å; V78-F100 HydrophobicContact CG2-CE1 3.72Å; V78-F100 WeakPolarHBondContact O-CA 3.02Å; V78-V101 PolarHBondContact O-N 3.1Å
79	V	98.8	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124	-175.1	-176.5	0	0	0	0	109.5	I39 L40 M41 W42 V101 F103 M128 L320	I39-V79 HydrophobicContact CG2-CG2 3.63Å; L40-V79 PolarHBondContact O-N 3.15Å; M41-V79 HydrophobicContact CE-CB 4.17Å; M41-V79 HydrophobicContact CE-CG1 3.94Å; M41-V79 HydrophobicContact SD-CB 3.71Å; M41-V79 HydrophobicContact SD-CG1 3.92Å; M41-V79 HydrophobicContact SD-CG2 4.22Å; W42-V79 PolarHBondContact N-O 3.36Å; V79-V101 HydrophobicContact CG2-CB 4.16Å; V79-V101 HydrophobicContact CG2-CG2 4.28Å; V79-F103 HydrophobicContact CG1-CB 3.5Å; V79-F103 VanDerWaalsContact CG1-CB 3.5Å; V79-F103 HydrophobicContact CG1-CD1 4.01Å; V79-F103 HydrophobicContact CG1-CG 3.96Å; V79-M128 HydrophobicContact CG1-CE 4.29Å; V79-L320 HydrophobicContact CG2-CD2 3.83Å
80	F	98.7	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.8	179.9	-58.3	-96.4	0	0	0	109	W42 V78 D82 V85 L90 P91 F100 V101 F103 F123 Y124	W42-F80 HydrophobicContact CB-CD1 3.73Å; W42-F80 HydrophobicContact CB-CE1 3.72Å; W42-F80 HydrophobicContact CB-CG 4.36Å; W42-F80 HydrophobicContact CB-CZ 4.33Å; W42-F80 AromaticContact CD1-CD1 3.51Å; W42-F80 AromaticContact CD1-CE1 3.37Å; W42-F80 AromaticContact CD2-CE1 3.99Å; W42-F80 HydrophobicContact CD2-CE1 3.99Å; W42-F80 AromaticContact CG-CD1 3.72Å; W42-F80 HydrophobicContact CG-CD1 3.72Å; W42-F80 AromaticContact CG-CE1 3.39Å; W42-F80 HydrophobicContact CG-CE1 3.39Å; W42-F80 HydrophobicContact CG-CZ 4.22Å; W42-F80 AromaticContact NE1-CE1 3.93Å; V78-F80 HydrophobicContact CB-CE2 3.76Å; V78-F80 HydrophobicContact CB-CZ 4.08Å; V78-F80 HydrophobicContact CG1-CD2 4.3Å; V78-F80 HydrophobicContact CG1-CE1 4.16Å; V78-F80 HydrophobicContact CG1-CE2 3.5Å; V78-F80 HydrophobicContact CG1-CZ 3.42Å; V78-F80 VanDerWaalsContact CG1-CZ 3.42Å; V78-F80 WeakPolarHBondContact O-CD2 3.4Å; V78-F80 WeakPolarHBondContact O-CE2 3Å; F80-D82 PolarHBondContact O-N 3.13Å; F80-V85 HydrophobicContact CB-CG2 4.5Å; F80-V85 HydrophobicContact CD1-CG2 3.81Å; F80-L90 HydrophobicContact CD1-CD2 4.41Å; F80-L90 HydrophobicContact CE1-CD2 4.21Å; F80-P91 HydrophobicContact CE1-CG 4.34Å; F80-P91 HydrophobicContact CZ-CG 4.04Å; F80-F100 HydrophobicContact CD2-CB 4.39Å; F80-F100 HydrophobicContact CE2-CB 3.81Å; F80-F100 AromaticContact CE2-CD1 3.76Å; F80-F100 HydrophobicContact CE2-CD1 3.76Å; F80-F100 AromaticContact CE2-CD2 3.81Å; F80-F100 HydrophobicContact CE2-CD2 3.81Å; F80-F100 HydrophobicContact CE2-CE1 4.26Å; F80-F100 HydrophobicContact CE2-CE2 4.31Å; F80-F100 AromaticContact CE2-CG 3.51Å; F80-F100 HydrophobicContact CE2-CG 3.51Å; F80-F100 HydrophobicContact CZ-CD1 4.18Å; F80-F100 AromaticContact CZ-CD2 3.96Å; F80-F100 HydrophobicContact CZ-CD2 3.96Å; F80-F100 HydrophobicContact CZ-CE1 4.22Å; F80-F100 HydrophobicContact CZ-CE2 4.02Å; F80-F100 HydrophobicContact CZ-CG 4.05Å; F80-F100 HydrophobicContact CZ-CZ 4.16Å; F80-V101 PolarHBondContact N-O 3.37Å; F80-F103 PolarHBondContact O-N 2.92Å; F80-F123 HydrophobicContact CD1-CE1 4.33Å; F80-F123 HydrophobicContact CD2-CE1 4.13Å; F80-F123 HydrophobicContact CE1-CE1 4.18Å; F80-F123 AromaticContact CE1-CZ 3.97Å; F80-F123 HydrophobicContact CE1-CZ 3.97Å; F80-F123 AromaticContact CE2-CE1 4Å; F80-F123 HydrophobicContact CE2-CE1 4Å; F80-F123 HydrophobicContact CE2-CZ 4.2Å; F80-F123 HydrophobicContact CG-CE1 4.29Å; F80-F123 HydrophobicContact CZ-CE1 4.02Å; F80-F123 AromaticContact CZ-CZ 3.8Å; F80-F123 HydrophobicContact CZ-CZ 3.8Å; F80-Y124 HydrophobicContact CB-CE1 3.86Å; F80-Y124 HydrophobicContact CD2-CD1 4.44Å; F80-Y124 AromaticContact CD2-CE1 3.91Å; F80-Y124 HydrophobicContact CD2-CE1 3.91Å; F80-Y124 HydrophobicContact CG-CE1 4.07Å
81	H	98.5	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112	169.5	-178.2	-130.9	0	0	0	109.5	V43 F45 F46 R83 N84 V85 F103	V43-H81 HydrophobicContact CG2-CB 4.05Å; F45-H81 AromaticContact CD2-CD2 3.52Å; F45-H81 AromaticContact CD2-CE1 3.55Å; F45-H81 AromaticContact CD2-CG 3.74Å; F45-H81 AromaticContact CD2-ND1 3.77Å; F45-H81 AromaticContact CD2-NE2 3.42Å; F45-H81 WeakPolarHBondContact CD2-NE2 3.49Å; F45-H81 AromaticContact CE2-CD2 3.84Å; F45-H81 AromaticContact CE2-CE1 3.82Å; F45-H81 AromaticContact CE2-NE2 3.39Å; F45-H81 WeakPolarHBondContact CE2-NE2 3.41Å; F46-H81 AromaticContact CD2-CE1 3.6Å; F46-H81 AromaticContact CE2-CE1 3.33Å; F46-H81 WeakPolarHBondContact CE2-CE1 3.49Å; F46-H81 AromaticContact CE2-NE2 3.62Å; F46-H81 AromaticContact CZ-CE1 3.59Å; H81-R83 PolarHBondContact O-N 3.33Å; H81-R83 VanDerWaalsContact O-N 3.07Å; H81-N84 PolarHBondContact CE1-OD1 3.38Å; H81-N84 VanDerWaalsContact CE1-OD1 3.28Å; H81-N84 PolarHBondContact ND1-OD1 2.96Å; H81-N84 PolarHBondContact O-N 3.25Å; H81-V85 PolarHBondContact O-N 3.39Å; H81-F103 VanDerWaalsContact CA-O 3.3Å; H81-F103 WeakPolarHBondContact CA-O 3.39Å; H81-F103 HydrophobicContact CB-CD1 4Å; H81-F103 PolarHBondContact CD2-O 3.2Å
82	D	98.6	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.1	-171.9	170.1	64.9	0	0	0	113	F80 N84 F102 F103 L104 T111 S112 F116	F80-D82 PolarHBondContact O-N 3.13Å; D82-N84 VanDerWaalsContact C-N 3.3Å; D82-N84 PolarHBondContact O-N 2.78Å; D82-F102 HydrophobicContact CB-CD2 4.18Å; D82-F102 HydrophobicContact CB-CE2 3.55Å; D82-F102 HydrophobicContact CB-CZ 4.33Å; D82-F103 PolarHBondContact N-O 3.22Å; D82-L104 HydrophobicContact CB-CB 4.19Å; D82-L104 HydrophobicContact CB-CD1 4.21Å; D82-L104 HydrophobicContact CB-CD2 4.35Å; D82-L104 HydrophobicContact CB-CG 4.48Å; D82-T111 WeakPolarHBondContact OD2-CA 3.22Å; D82-S112 VanDerWaalsContact O-CB 3.23Å; D82-S112 WeakPolarHBondContact O-CB 3.18Å; D82-S112 PolarHBondContact O-OG 2.88Å; D82-S112 PolarHBondContact OD1-OG 2.87Å; D82-S112 PolarHBondContact OD2-N 2Å; D82-S112 PolarHBondContact OD2-OG 3.45Å; D82-F116 PolarHBondContact OD1-N 3.42Å
83	R	97.6	Very high	96.3	Very high	106 Å²	106	55.1 Å²	55.1	40%	0.4	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.2	-179.3	-70.6	-68.2	-67.6	-106.8	2.3	115.4	F46 H81 L104 H110	F46-R83 HydrophobicContact CE1-CB 4.16Å; F46-R83 HydrophobicContact CZ-CB 4.12Å; F46-R83 HydrophobicContact CZ-CG 4.41Å; H81-R83 PolarHBondContact O-N 3.33Å; H81-R83 VanDerWaalsContact O-N 3.07Å; R83-L104 HydrophobicContact CG-CD1 3.67Å; R83-H110 WeakPolarHBondContact CD-O 3.49Å; R83-H110 PolarHBondContact NH1-O 3.33Å
84	N	98.1	Very high	96.3	Very high	45 Å²	45	53 Å²	53	24%	0.241	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-8.4	179.3	-67.4	119.1	0	0	0	114.2	V43 S44 F46 H81 D82	V43-N84 HydrophobicContact CB-CB 4.24Å; V43-N84 HydrophobicContact CG2-CB 4.03Å; S44-N84 WeakPolarHBondContact O-CB 3.21Å; S44-N84 PolarHBondContact O-OD1 2.92Å; S44-N84 VanDerWaalsContact O-OD1 3.12Å; F46-N84 PolarHBondContact N-OD1 2.95Å; H81-N84 PolarHBondContact CE1-OD1 3.38Å; H81-N84 VanDerWaalsContact CE1-OD1 3.28Å; H81-N84 PolarHBondContact ND1-OD1 2.96Å; H81-N84 PolarHBondContact O-N 3.25Å; D82-N84 VanDerWaalsContact C-N 3.3Å; D82-N84 PolarHBondContact O-N 2.78Å
85	V	97.8	Very high	96.3	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	26%	0.257	C	S	.	.			trans	-77.9	137.8	176.7	68.6	0	0	0	0	111	V43 F80 H81 L90 A115	V43-V85 HydrophobicContact CG2-CB 4.39Å; F80-V85 HydrophobicContact CB-CG2 4.5Å; F80-V85 HydrophobicContact CD1-CG2 3.81Å; H81-V85 PolarHBondContact O-N 3.39Å; V85-L90 HydrophobicContact CG2-CD2 3.49Å; V85-L90 VanDerWaalsContact CG2-CD2 3.49Å; V85-A115 HydrophobicContact CG1-CB 3.67Å
86	Y	97.3	Very high	96.2	Very high	157 Å²	157	55.4 Å²	55.4	62%	0.616	28%	0.276	S	S	*	.			trans	-110.6	138.2	172.2	-62.8	-79.7	0	0	0	109.5	S88 D89	Y86-S88 PolarHBondContact O-N 2.99Å; Y86-D89 CarbonylContact O-C 3.6Å; Y86-D89 PolarHBondContact O-N 3.47Å
87	T	95.9	Very high	96.1	Very high	48 Å²	48	58.4 Å²	58.4	29%	0.294	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.8	-178.1	52.8	0	0	0	0	113.5	D89 A115 Q118 L119	T87-D89 VanDerWaalsContact C-N 3.25Å; T87-A115 HydrophobicContact CG2-CB 3.96Å; T87-Q118 VanDerWaalsContact CB-OE1 3.28Å; T87-Q118 HydrophobicContact CG2-CB 4.09Å; T87-Q118 VanDerWaalsContact CG2-OE1 3.29Å; T87-Q118 PolarHBondContact OG1-OE1 3.37Å; T87-L119 HydrophobicContact CG2-CD1 4.23Å; T87-L119 HydrophobicContact CG2-CD2 4.35Å; T87-L119 HydrophobicContact CG2-CG 4.14Å
88	S	96.5	Very high	95.9	Very high	115 Å²	115	58.6 Å²	58.6	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-6.4	169.1	58	0	0	0	0	113.6	Y86	Y86-S88 PolarHBondContact O-N 2.99Å
89	D	96.8	Very high	95.9	Very high	56 Å²	56	58.9 Å²	58.9	30%	0.299	29%	0.292	S	S	.	.	S	Bend	trans	-131	62.1	-174.5	-178.1	34.7	0	0	0	109.8	W42 R69 Y86 T87	W42-D89 PolarHBondContact NE1-O 3.15Å; R69-D89 IonicContact CZ-OD1 3.66Å; R69-D89 IonicContact CZ-OD2 3.26Å; R69-D89 VanDerWaalsContact CZ-OD2 3.26Å; R69-D89 IonicContact NH1-OD1 2.65Å; R69-D89 PolarHBondContact NH1-OD1 3.2Å; R69-D89 IonicContact NH1-OD2 2.96Å; R69-D89 PolarHBondContact NH1-OD2 3.44Å; R69-D89 IonicContact NH2-OD1 3.84Å; R69-D89 IonicContact NH2-OD2 2.7Å; R69-D89 PolarHBondContact NH2-OD2 3.42Å; Y86-D89 CarbonylContact O-C 3.6Å; Y86-D89 PolarHBondContact O-N 3.47Å; T87-D89 VanDerWaalsContact C-N 3.25Å
90	L	97.4	Very high	95.9	Very high	40 Å²	40	59.1 Å²	59.1	21%	0.209	29%	0.293	C	S	.	.			trans	-119.4	151.5	179.1	-61.2	177.2	0	0	0	109.9	F80 V85 E92 L119 F123	F80-L90 HydrophobicContact CD1-CD2 4.41Å; F80-L90 HydrophobicContact CE1-CD2 4.21Å; V85-L90 HydrophobicContact CG2-CD2 3.49Å; V85-L90 VanDerWaalsContact CG2-CD2 3.49Å; L90-E92 PolarHBondContact O-N 3.09Å; L90-L119 HydrophobicContact CD1-CD1 4.01Å; L90-L119 HydrophobicContact CD1-CD2 3.54Å; L90-L119 HydrophobicContact CD1-CG 4.39Å; L90-L119 HydrophobicContact CD2-CD1 4.08Å; L90-F123 HydrophobicContact CB-CE2 4.45Å; L90-F123 HydrophobicContact CB-CZ 4.49Å; L90-F123 HydrophobicContact CD1-CE2 4.04Å; L90-F123 HydrophobicContact CD1-CZ 4.23Å; L90-F123 HydrophobicContact CD2-CE1 4.44Å; L90-F123 HydrophobicContact CD2-CE2 4.45Å; L90-F123 HydrophobicContact CD2-CZ 3.85Å; L90-F123 HydrophobicContact CG-CZ 4.42Å
91	P	95.2	Very high	95.9	Very high	15 Å²	15	59.1 Å²	59.1	10%	0.097	29%	0.293	C	S	.	.			trans	-56.6	137.8	165.9	-21.3	33	0	0	0	110.9	W42 L72 F80 Q93 F100	W42-P91 HydrophobicContact CD2-CG 4.15Å; W42-P91 HydrophobicContact CE3-CG 4.01Å; W42-P91 HydrophobicContact CH2-CB 4.37Å; W42-P91 HydrophobicContact CH2-CG 3.65Å; W42-P91 HydrophobicContact CZ2-CG 3.79Å; W42-P91 HydrophobicContact CZ3-CG 3.77Å; L72-P91 HydrophobicContact CD1-CB 4.23Å; L72-P91 HydrophobicContact CD1-CG 4.06Å; L72-P91 HydrophobicContact CD2-CB 3.75Å; L72-P91 HydrophobicContact CD2-CG 4.25Å; F80-P91 HydrophobicContact CE1-CG 4.34Å; F80-P91 HydrophobicContact CZ-CG 4.04Å; P91-Q93 VanDerWaalsContact C-N 3.32Å; P91-Q93 PolarHBondContact O-N 2.7Å; P91-F100 HydrophobicContact CB-CE2 4.41Å; P91-F100 HydrophobicContact CB-CZ 3.82Å; P91-F100 HydrophobicContact CG-CE1 4.47Å; P91-F100 HydrophobicContact CG-CE2 4.28Å; P91-F100 HydrophobicContact CG-CZ 3.73Å
92	E	88.3	Confident	95.9	Very high	194 Å²	194	59.1 Å²	59.1	91%	0.907	29%	0.293	S	S	*	.	S	Bend	trans	-65.6	-37	176.6	-65.1	-177.6	177.6	0	0	112.2	L90	L90-E92 PolarHBondContact O-N 3.09Å
93	Q	89.7	Confident	95.9	Very high	161 Å²	161	59.1 Å²	59.1	75%	0.752	29%	0.293	S	S	*	.			trans	-138.3	149	-178	-63.2	-174.6	-6.2	0	0	111.2	P91	P91-Q93 VanDerWaalsContact C-N 3.32Å; P91-Q93 PolarHBondContact O-N 2.7Å
94	R	94.2	Very high	95.9	Very high	76 Å²	76	54.1 Å²	54.1	29%	0.287	27%	0.274	S	S	.	.			trans	-108.3	131.8	171.8	-177.5	178.3	66.8	74.3	-2.1	108.4	P96 Q98 F100 A333	R94-P96 PolarHBondContact NH1-O 3.36Å; R94-Q98 VanDerWaalsContact CD-O 3.24Å; R94-Q98 WeakPolarHBondContact CD-O 3.45Å; R94-Q98 HydrophobicContact CG-CB 4.21Å; R94-Q98 HydrophobicContact CG-CG 4.3Å; R94-Q98 WeakPolarHBondContact CG-O 3.22Å; R94-Q98 PolarHBondContact NH1-O 2.94Å; R94-F100 HydrophobicContact CB-CD1 4.3Å; R94-F100 HydrophobicContact CB-CD2 4.34Å; R94-F100 HydrophobicContact CB-CE1 3.83Å; R94-F100 HydrophobicContact CB-CE2 3.86Å; R94-F100 HydrophobicContact CB-CZ 3.57Å; R94-F100 VanDerWaalsContact CD-CD1 3.47Å; R94-F100 VanDerWaalsContact CD-CG 3.46Å; R94-F100 HydrophobicContact CG-CD1 3.65Å; R94-F100 HydrophobicContact CG-CD2 4.37Å; R94-F100 HydrophobicContact CG-CE1 3.54Å; R94-F100 HydrophobicContact CG-CE2 4.26Å; R94-F100 HydrophobicContact CG-CG 4.09Å; R94-F100 HydrophobicContact CG-CZ 3.85Å; R94-A333 PolarHBondContact NH1-O 2.79Å; R94-A333 PolarHBondContact NH2-O 2.02Å
95	L	94.3	Very high	95.9	Very high	63 Å²	63	52.2 Å²	52.2	33%	0.33	26%	0.263	S	S	.	.			trans	-62.8	146.4	173.7	-63.9	176.7	0	0	0	110.7	N73 E97 Q98	N73-L95 VanDerWaalsContact O-CD1 3.29Å; N73-L95 WeakPolarHBondContact O-CD1 3.42Å; L95-E97 PolarHBondContact O-N 3.4Å; L95-E97 VanDerWaalsContact O-N 3.16Å; L95-Q98 HydrophobicContact CB-CB 3.86Å; L95-Q98 WeakPolarHBondContact O-CB 3.3Å; L95-Q98 PolarHBondContact O-N 3.35Å
96	P	94.2	Very high	95.9	Very high	68 Å²	68	54.3 Å²	54.3	44%	0.442	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.7	-176.5	-25.6	33.8	0	0	0	113.4	R94 I332 A333	R94-P96 PolarHBondContact NH1-O 3.36Å; P96-I332 HydrophobicContact CB-CG2 4.33Å; P96-A333 WeakPolarHBondContact O-CB 3.45Å; P96-A333 PolarHBondContact O-N 2.82Å
97	E	93.2	Very high	95.9	Very high	75 Å²	75	46.8 Å²	46.8	35%	0.35	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.5	-177.2	-52.1	66.8	-152	0	0	113.3	L95 W331	L95-E97 PolarHBondContact O-N 3.4Å; L95-E97 VanDerWaalsContact O-N 3.16Å; E97-W331 VanDerWaalsContact CA-O 3.31Å; E97-W331 WeakPolarHBondContact CA-O 3.41Å; E97-W331 WeakPolarHBondContact CB-O 3.02Å; E97-W331 VanDerWaalsContact CG-O 3.28Å; E97-W331 WeakPolarHBondContact CG-O 3.46Å
98	Q	95.2	Very high	96	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.014	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-90.5	135.8	-172.4	174.9	178.8	76.9	0	0	112	L72 S75 S76 V78 R94 L95 F100 A333	L72-Q98 PolarHBondContact O-NE2 3.19Å; S75-Q98 PolarHBondContact O-NE2 3.23Å; S75-Q98 PolarHBondContact OG-NE2 3.14Å; S76-Q98 WeakPolarHBondContact O-CA 3.31Å; V78-Q98 HydrophobicContact CG2-CG 4.1Å; R94-Q98 VanDerWaalsContact CD-O 3.24Å; R94-Q98 WeakPolarHBondContact CD-O 3.45Å; R94-Q98 HydrophobicContact CG-CB 4.21Å; R94-Q98 HydrophobicContact CG-CG 4.3Å; R94-Q98 WeakPolarHBondContact CG-O 3.22Å; R94-Q98 PolarHBondContact NH1-O 2.94Å; L95-Q98 HydrophobicContact CB-CB 3.86Å; L95-Q98 WeakPolarHBondContact O-CB 3.3Å; L95-Q98 PolarHBondContact O-N 3.35Å; Q98-F100 HydrophobicContact CG-CD1 4.48Å; Q98-F100 HydrophobicContact CG-CE1 4.43Å; Q98-A333 WeakPolarHBondContact O-CB 3.28Å
99	H	97.6	Very high	96	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.6	174.4	-79.9	-70.9	0	0	0	113.2	S76 A77 V78 V101 T125 L126 Q327 W331 A333	S76-H99 PolarHBondContact O-N 2.92Å; A77-H99 CarbonylContact C-O 3.57Å; A77-H99 VanDerWaalsContact CA-O 3.24Å; A77-H99 WeakPolarHBondContact CA-O 3.33Å; A77-H99 HydrophobicContact CB-CB 4.19Å; V78-H99 PolarHBondContact N-O 3.19Å; H99-V101 HydrophobicContact CB-CG2 4.26Å; H99-T125 VanDerWaalsContact CA-OG1 3.28Å; H99-T125 WeakPolarHBondContact CA-OG1 3.43Å; H99-T125 WeakPolarHBondContact ND1-CB 3.26Å; H99-T125 PolarHBondContact ND1-OG1 2.92Å; H99-L126 HydrophobicContact CB-CD1 3.88Å; H99-L126 HydrophobicContact CB-CG 4.28Å; H99-L126 WeakPolarHBondContact ND1-CG 3.33Å; H99-Q327 PolarHBondContact CD2-NE2 3.06Å; H99-Q327 PolarHBondContact NE2-NE2 2.88Å; H99-W331 AromaticContact NE2-NE1 3.99Å; H99-A333 VanDerWaalsContact CE1-CB 3.47Å; H99-A333 WeakPolarHBondContact CE1-CB 3.47Å
100	F	98.6	Very high	96.1	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.1	162.3	-80.4	9.1	0	0	0	108.3	V78 F80 P91 R94 Q98 F123 Y124 T125 L126	V78-F100 HydrophobicContact CB-CD1 3.75Å; V78-F100 HydrophobicContact CB-CE1 3.85Å; V78-F100 HydrophobicContact CG1-CE1 4.49Å; V78-F100 HydrophobicContact CG2-CD1 4Å; V78-F100 HydrophobicContact CG2-CE1 3.72Å; V78-F100 WeakPolarHBondContact O-CA 3.02Å; F80-F100 HydrophobicContact CD2-CB 4.39Å; F80-F100 HydrophobicContact CE2-CB 3.81Å; F80-F100 AromaticContact CE2-CD1 3.76Å; F80-F100 HydrophobicContact CE2-CD1 3.76Å; F80-F100 AromaticContact CE2-CD2 3.81Å; F80-F100 HydrophobicContact CE2-CD2 3.81Å; F80-F100 HydrophobicContact CE2-CE1 4.26Å; F80-F100 HydrophobicContact CE2-CE2 4.31Å; F80-F100 AromaticContact CE2-CG 3.51Å; F80-F100 HydrophobicContact CE2-CG 3.51Å; F80-F100 HydrophobicContact CZ-CD1 4.18Å; F80-F100 AromaticContact CZ-CD2 3.96Å; F80-F100 HydrophobicContact CZ-CD2 3.96Å; F80-F100 HydrophobicContact CZ-CE1 4.22Å; F80-F100 HydrophobicContact CZ-CE2 4.02Å; F80-F100 HydrophobicContact CZ-CG 4.05Å; F80-F100 HydrophobicContact CZ-CZ 4.16Å; P91-F100 HydrophobicContact CB-CE2 4.41Å; P91-F100 HydrophobicContact CB-CZ 3.82Å; P91-F100 HydrophobicContact CG-CE1 4.47Å; P91-F100 HydrophobicContact CG-CE2 4.28Å; P91-F100 HydrophobicContact CG-CZ 3.73Å; R94-F100 HydrophobicContact CB-CD1 4.3Å; R94-F100 HydrophobicContact CB-CD2 4.34Å; R94-F100 HydrophobicContact CB-CE1 3.83Å; R94-F100 HydrophobicContact CB-CE2 3.86Å; R94-F100 HydrophobicContact CB-CZ 3.57Å; R94-F100 VanDerWaalsContact CD-CD1 3.47Å; R94-F100 VanDerWaalsContact CD-CG 3.46Å; R94-F100 HydrophobicContact CG-CD1 3.65Å; R94-F100 HydrophobicContact CG-CD2 4.37Å; R94-F100 HydrophobicContact CG-CE1 3.54Å; R94-F100 HydrophobicContact CG-CE2 4.26Å; R94-F100 HydrophobicContact CG-CG 4.09Å; R94-F100 HydrophobicContact CG-CZ 3.85Å; Q98-F100 HydrophobicContact CG-CD1 4.48Å; Q98-F100 HydrophobicContact CG-CE1 4.43Å; F100-F123 HydrophobicContact CD2-CD1 4.23Å; F100-F123 HydrophobicContact CD2-CD2 4.18Å; F100-F123 AromaticContact CD2-CE1 3.74Å; F100-F123 HydrophobicContact CD2-CE1 3.74Å; F100-F123 AromaticContact CD2-CE2 3.68Å; F100-F123 HydrophobicContact CD2-CE2 3.68Å; F100-F123 HydrophobicContact CD2-CG 4.43Å; F100-F123 AromaticContact CD2-CZ 3.43Å; F100-F123 HydrophobicContact CD2-CZ 3.43Å; F100-F123 VanDerWaalsContact CD2-CZ 3.43Å; F100-F123 HydrophobicContact CE2-CD2 4.43Å; F100-F123 HydrophobicContact CE2-CE1 4.36Å; F100-F123 AromaticContact CE2-CE2 3.65Å; F100-F123 HydrophobicContact CE2-CE2 3.65Å; F100-F123 AromaticContact CE2-CZ 3.6Å; F100-F123 HydrophobicContact CE2-CZ 3.6Å; F100-Y124 HydrophobicContact CB-CD1 4.42Å; F100-Y124 CarbonylContact O-C 3.53Å; F100-Y124 WeakPolarHBondContact O-CA 3.5Å; F100-T125 PolarHBondContact N-OG1 3.18Å; F100-T125 VanDerWaalsContact N-OG1 3.07Å; F100-T125 PolarHBondContact O-N 3.23Å; F100-T125 PolarHBondContact O-OG1 2.86Å; F100-L126 PolarHBondContact O-N 2.83Å
101	V	98.9	Very high	96.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.7	-170	-171.2	0	0	0	0	110	A77 V78 V79 F80 H99 F103 L126 M128 L320	A77-V101 HydrophobicContact CB-CG2 4.14Å; V78-V101 PolarHBondContact O-N 3.1Å; V79-V101 HydrophobicContact CG2-CB 4.16Å; V79-V101 HydrophobicContact CG2-CG2 4.28Å; F80-V101 PolarHBondContact N-O 3.37Å; H99-V101 HydrophobicContact CB-CG2 4.26Å; V101-F103 PolarHBondContact O-N 2.76Å; V101-L126 WeakPolarHBondContact CA-O 3.37Å; V101-L126 HydrophobicContact CG1-CB 4.26Å; V101-L126 HydrophobicContact CG2-CB 4.25Å; V101-L126 HydrophobicContact CG2-CD1 4.46Å; V101-M128 HydrophobicContact CG1-CB 3.61Å; V101-L320 HydrophobicContact CG2-CD1 4.28Å
102	F	98.7	Very high	96.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	111.7	168	170.4	-104.8	0	0	0	109.1	D82 L104 F116 Y124 L126 T127 M128 L342 Y346	D82-F102 HydrophobicContact CB-CD2 4.18Å; D82-F102 HydrophobicContact CB-CE2 3.55Å; D82-F102 HydrophobicContact CB-CZ 4.33Å; F102-L104 HydrophobicContact CE1-CB 4.01Å; F102-L104 HydrophobicContact CE2-CB 4.27Å; F102-L104 HydrophobicContact CZ-CB 3.67Å; F102-L104 HydrophobicContact CZ-CD2 3.86Å; F102-L104 HydrophobicContact CZ-CG 4.43Å; F102-F116 AromaticContact CE2-CD2 3.87Å; F102-F116 HydrophobicContact CE2-CD2 3.87Å; F102-F116 HydrophobicContact CE2-CE2 4.07Å; F102-F116 HydrophobicContact CZ-CD2 4.06Å; F102-F116 AromaticContact CZ-CE2 3.88Å; F102-F116 HydrophobicContact CZ-CE2 3.88Å; F102-Y124 HydrophobicContact CB-CD1 3.81Å; F102-Y124 HydrophobicContact CB-CD2 3.94Å; F102-Y124 HydrophobicContact CB-CE1 4.13Å; F102-Y124 HydrophobicContact CB-CE2 4.2Å; F102-Y124 HydrophobicContact CB-CG 3.7Å; F102-Y124 HydrophobicContact CD2-CD2 4.4Å; F102-Y124 AromaticContact CD2-CE2 3.95Å; F102-Y124 HydrophobicContact CD2-CE2 3.95Å; F102-Y124 VanDerWaalsContact N-CD1 3.34Å; F102-L126 PolarHBondContact N-O 2.93Å; F102-T127 HydrophobicContact CD1-CG2 4.38Å; F102-M128 PolarHBondContact O-N 3.3Å; F102-L342 HydrophobicContact CB-CD1 3.96Å; F102-L342 HydrophobicContact CB-CD2 4.27Å; F102-L342 HydrophobicContact CD1-CD1 4.12Å; F102-L342 HydrophobicContact CD1-CD2 3.94Å; F102-L342 HydrophobicContact CD2-CD1 3.45Å; F102-L342 VanDerWaalsContact CD2-CD1 3.45Å; F102-L342 HydrophobicContact CE1-CD2 4.48Å; F102-L342 HydrophobicContact CE2-CD1 3.89Å; F102-L342 HydrophobicContact CG-CD1 3.57Å; F102-L342 HydrophobicContact CG-CD2 4.06Å; F102-L342 HydrophobicContact CZ-CD1 4.41Å; F102-Y346 HydrophobicContact CE1-CE1 4.46Å; F102-Y346 HydrophobicContact CZ-CD1 4.46Å; F102-Y346 HydrophobicContact CZ-CE1 4.39Å
103	F	98.8	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.8	178.6	174	-130	0	0	0	111.2	M41 F45 F50 V79 F80 H81 D82 V101 L105 M128 F138	M41-F103 HydrophobicContact CE-CD1 4.48Å; F45-F103 HydrophobicContact CB-CE1 4.35Å; F45-F103 HydrophobicContact CD2-CD1 4.38Å; F45-F103 AromaticContact CD2-CE1 3.45Å; F45-F103 HydrophobicContact CD2-CE1 3.45Å; F45-F103 VanDerWaalsContact CD2-CE1 3.45Å; F45-F103 AromaticContact CD2-CZ 3.92Å; F45-F103 HydrophobicContact CD2-CZ 3.92Å; F45-F103 HydrophobicContact CE2-CE1 4Å; F45-F103 HydrophobicContact CE2-CZ 4.02Å; F45-F103 HydrophobicContact CG-CE1 4.1Å; F50-F103 HydrophobicContact CE2-CE1 4.04Å; F50-F103 HydrophobicContact CE2-CZ 4.4Å; V79-F103 HydrophobicContact CG1-CB 3.5Å; V79-F103 VanDerWaalsContact CG1-CB 3.5Å; V79-F103 HydrophobicContact CG1-CD1 4.01Å; V79-F103 HydrophobicContact CG1-CG 3.96Å; F80-F103 PolarHBondContact O-N 2.92Å; H81-F103 VanDerWaalsContact CA-O 3.3Å; H81-F103 WeakPolarHBondContact CA-O 3.39Å; H81-F103 HydrophobicContact CB-CD1 4Å; H81-F103 PolarHBondContact CD2-O 3.2Å; D82-F103 PolarHBondContact N-O 3.22Å; V101-F103 PolarHBondContact O-N 2.76Å; F103-L105 HydrophobicContact CE2-CD1 4.33Å; F103-L105 HydrophobicContact CE2-CD2 3.83Å; F103-L105 HydrophobicContact CE2-CG 3.76Å; F103-L105 HydrophobicContact CZ-CD1 4.27Å; F103-L105 HydrophobicContact CZ-CG 4.06Å; F103-M128 WeakPolarHBondContact CA-O 3.37Å; F103-M128 HydrophobicContact CB-CE 4.32Å; F103-M128 HydrophobicContact CD1-CE 4.33Å; F103-M128 HydrophobicContact CD2-CB 4.35Å; F103-M128 HydrophobicContact CD2-CE 3.29Å; F103-M128 HydrophobicContact CD2-CG 4.03Å; F103-M128 WeakPolarHBondContact CD2-O 3.46Å; F103-M128 HydrophobicContact CD2-SD 4.49Å; F103-M128 HydrophobicContact CE2-CE 3.54Å; F103-M128 HydrophobicContact CG-CE 3.74Å; F103-M128 HydrophobicContact CZ-CE 4.17Å; F103-F138 HydrophobicContact CE2-CD2 4.04Å; F103-F138 AromaticContact CE2-CE2 3.96Å; F103-F138 HydrophobicContact CE2-CE2 3.96Å; F103-F138 HydrophobicContact CE2-CZ 4.37Å; F103-F138 HydrophobicContact CZ-CE2 4.39Å
104	L	98.4	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.			trans	-157	117.6	176	-176.8	62.6	0	0	0	110.6	D82 R83 F102 E106 T111 M128 N129 Y346	D82-L104 HydrophobicContact CB-CB 4.19Å; D82-L104 HydrophobicContact CB-CD1 4.21Å; D82-L104 HydrophobicContact CB-CD2 4.35Å; D82-L104 HydrophobicContact CB-CG 4.48Å; R83-L104 HydrophobicContact CG-CD1 3.67Å; F102-L104 HydrophobicContact CE1-CB 4.01Å; F102-L104 HydrophobicContact CE2-CB 4.27Å; F102-L104 HydrophobicContact CZ-CB 3.67Å; F102-L104 HydrophobicContact CZ-CD2 3.86Å; F102-L104 HydrophobicContact CZ-CG 4.43Å; L104-E106 HydrophobicContact CD1-CB 3.82Å; L104-E106 HydrophobicContact CD1-CG 4.36Å; L104-E106 HydrophobicContact CG-CB 4.14Å; L104-T111 HydrophobicContact CD2-CG2 3.6Å; L104-M128 PolarHBondContact N-O 3.16Å; L104-N129 WeakPolarHBondContact O-CB 3.35Å; L104-Y346 HydrophobicContact CD2-CE1 3.99Å
105	L	97	Very high	96.9	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.177	C	C	.	.			trans	-87.2	-15.1	173.9	-62.3	-175.6	0	0	0	113.1	F45 F103 Y130 F138 F140 Y236 Y313	F45-L105 HydrophobicContact CE2-CD1 4.47Å; F45-L105 HydrophobicContact CZ-CD1 4.14Å; F103-L105 HydrophobicContact CE2-CD1 4.33Å; F103-L105 HydrophobicContact CE2-CD2 3.83Å; F103-L105 HydrophobicContact CE2-CG 3.76Å; F103-L105 HydrophobicContact CZ-CD1 4.27Å; F103-L105 HydrophobicContact CZ-CG 4.06Å; L105-Y130 WeakPolarHBondContact O-CD1 3.43Å; L105-F138 HydrophobicContact CD1-CD1 4.31Å; L105-F138 HydrophobicContact CD1-CE1 4.13Å; L105-F138 HydrophobicContact CD2-CB 4.05Å; L105-F138 HydrophobicContact CD2-CD1 3.69Å; L105-F138 HydrophobicContact CD2-CE1 4.28Å; L105-F138 HydrophobicContact CD2-CG 3.88Å; L105-F138 WeakPolarHBondContact CD2-O 2.96Å; L105-F140 HydrophobicContact CB-CE2 4.15Å; L105-F140 HydrophobicContact CB-CZ 3.84Å; L105-F140 WeakPolarHBondContact O-CE2 3.34Å; L105-F140 VanDerWaalsContact O-CZ 3.23Å; L105-F140 WeakPolarHBondContact O-CZ 3.37Å; L105-Y236 WeakPolarHBondContact O-CE2 3.11Å; L105-Y313 HydrophobicContact CD1-CE1 4.15Å
106	E	97.6	Very high	97.1	Very high	52 Å²	52	31.7 Å²	31.7	24%	0.243	16%	0.161	C	C	.	.	S	Bend	trans	-75.5	161.1	178.1	-70.3	-65.1	165	0	0	112.9	F46 L104 H110 Y130 Y236 Y346	F46-E106 HydrophobicContact CZ-CG 4.41Å; L104-E106 HydrophobicContact CD1-CB 3.82Å; L104-E106 HydrophobicContact CD1-CG 4.36Å; L104-E106 HydrophobicContact CG-CB 4.14Å; E106-H110 HydrophobicContact CB-CB 3.66Å; E106-H110 HydrophobicContact CG-CB 4.28Å; E106-H110 IonicContact OE2-CD2 3.76Å; E106-Y130 WeakPolarHBondContact O-CE1 3.38Å; E106-Y236 PolarHBondContact OE2-OH 3.39Å; E106-Y346 PolarHBondContact O-OH 3.33Å
107	S	97.9	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.			trans	-69.1	167.3	179.7	79.1	0	0	0	0	113.1	Y109 H110 T111 S231	S107-Y109 PolarHBondContact O-N 2.86Å; S107-Y109 VanDerWaalsContact O-N 3.12Å; S107-Y109 PolarHBondContact OG-N 2.74Å; S107-H110 CarbonylContact O-C 3.57Å; S107-H110 WeakPolarHBondContact O-CA 3.48Å; S107-H110 PolarHBondContact O-N 3Å; S107-H110 PolarHBondContact OG-CD2 2.88Å; S107-T111 PolarHBondContact O-N 3.47Å; S107-S231 VanDerWaalsContact CB-CB 3.45Å; S107-S231 WeakPolarHBondContact CB-OG 3.46Å; S107-S231 VanDerWaalsContact OG-CB 3.26Å; S107-S231 WeakPolarHBondContact OG-CB 3.18Å; S107-S231 PolarHBondContact OG-OG 3.1Å
108	P	97.8	Very high	97.4	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.052	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-53.8	-30.3	173.9	-32	36.2	0	0	0	115.3	H110 T111 Y130 Y346 K347 T351 C352	P108-H110 PolarHBondContact O-N 3.36Å; P108-T111 PolarHBondContact O-OG1 2.81Å; P108-Y130 WeakPolarHBondContact CD-OH 3.36Å; P108-Y346 HydrophobicContact CB-CD1 4.27Å; P108-Y346 HydrophobicContact CB-CE1 4.34Å; P108-Y346 HydrophobicContact CG-CD1 3.97Å; P108-Y346 HydrophobicContact CG-CE1 3.88Å; P108-Y346 HydrophobicContact CG-CG 4.4Å; P108-Y346 WeakPolarHBondContact CG-O 3.39Å; P108-K347 HydrophobicContact CB-CG 4.07Å; P108-K347 VanDerWaalsContact O-CE 3.25Å; P108-K347 WeakPolarHBondContact O-CE 3.27Å; P108-T351 HydrophobicContact CG-CG2 4.32Å; P108-C352 VanDerWaalsContact CG-SG 3.53Å
109	Y	97.3	Very high	97.5	Very high	87 Å²	87	38 Å²	38	34%	0.341	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-69.9	-12.2	173.9	-68.8	-60.2	0	0	0	113.9	S107 P179 C352 P354	S107-Y109 PolarHBondContact O-N 2.86Å; S107-Y109 VanDerWaalsContact O-N 3.12Å; S107-Y109 PolarHBondContact OG-N 2.74Å; Y109-P179 HydrophobicContact CD1-CB 4.16Å; Y109-P179 HydrophobicContact CD2-CB 3.5Å; Y109-P179 HydrophobicContact CD2-CG 4.08Å; Y109-P179 HydrophobicContact CE2-CB 3.91Å; Y109-P179 HydrophobicContact CG-CB 3.65Å; Y109-P179 HydrophobicContact CG-CG 3.88Å; Y109-C352 HydrophobicContact CD2-CB 4.3Å; Y109-C352 HydrophobicContact CE2-CB 3.52Å; Y109-P354 WeakPolarHBondContact OH-CA 3.47Å; Y109-P354 VanDerWaalsContact OH-CB 3.26Å; Y109-P354 WeakPolarHBondContact OH-CB 3.41Å; Y109-P354 VanDerWaalsContact OH-CD 3.22Å; Y109-P354 WeakPolarHBondContact OH-CD 3.41Å; Y109-P354 VanDerWaalsContact OH-N 3.12Å
110	H	96.9	Very high	97.4	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.157	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-121	23.9	-174.8	-67.2	-35.5	0	0	0	111.8	R83 E106 S107 P108 N230	R83-H110 WeakPolarHBondContact CD-O 3.49Å; R83-H110 PolarHBondContact NH1-O 3.33Å; E106-H110 HydrophobicContact CB-CB 3.66Å; E106-H110 HydrophobicContact CG-CB 4.28Å; E106-H110 IonicContact OE2-CD2 3.76Å; S107-H110 CarbonylContact O-C 3.57Å; S107-H110 WeakPolarHBondContact O-CA 3.48Å; S107-H110 PolarHBondContact O-N 3Å; S107-H110 PolarHBondContact OG-CD2 2.88Å; P108-H110 PolarHBondContact O-N 3.36Å; H110-N230 PolarHBondContact NE2-ND2 2.81Å
111	T	97.9	Very high	97.3	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.098	21%	0.207	C	C	.	.	S	Bend	trans	-68	156	163.6	46.8	0	0	0	0	111.2	D82 L104 S107 P108 F116 Y346 K347	D82-T111 WeakPolarHBondContact OD2-CA 3.22Å; L104-T111 HydrophobicContact CD2-CG2 3.6Å; S107-T111 PolarHBondContact O-N 3.47Å; P108-T111 PolarHBondContact O-OG1 2.81Å; T111-F116 HydrophobicContact CG2-CD1 4.49Å; T111-F116 HydrophobicContact CG2-CD2 3.46Å; T111-F116 VanDerWaalsContact CG2-CD2 3.46Å; T111-F116 HydrophobicContact CG2-CE2 3.55Å; T111-F116 HydrophobicContact CG2-CG 3.97Å; T111-F116 HydrophobicContact CG2-CZ 4.12Å; T111-Y346 HydrophobicContact CG2-CD1 3.99Å; T111-Y346 HydrophobicContact CG2-CE1 3.94Å; T111-K347 WeakPolarHBondContact OG1-CE 3.02Å; T111-K347 PolarHBondContact OG1-NZ 2.67Å
112	S	97.6	Very high	96.9	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	24%	0.243	C	C	.	.			trans	-64.6	146.9	173.8	72.3	0	0	0	0	111.2	D82 A115 F116	D82-S112 VanDerWaalsContact O-CB 3.23Å; D82-S112 WeakPolarHBondContact O-CB 3.18Å; D82-S112 PolarHBondContact O-OG 2.88Å; D82-S112 PolarHBondContact OD1-OG 2.87Å; D82-S112 PolarHBondContact OD2-N 2Å; D82-S112 PolarHBondContact OD2-OG 3.45Å; S112-A115 WeakPolarHBondContact OG-CB 3.41Å; S112-A115 PolarHBondContact OG-N 3.43Å; S112-F116 WeakPolarHBondContact O-CB 3.01Å; S112-F116 PolarHBondContact OG-N 2.88Å
113	T	93.6	Very high	96.8	Very high	124 Å²	124	46.4 Å²	46.4	76%	0.761	25%	0.25	S	C	*	.	S	Bend	trans	-72.5	-46.8	-177.8	-50.7	0	0	0	0	111.8
114	K	96.6	Very high	96.8	Very high	156 Å²	156	46.5 Å²	46.5	68%	0.678	25%	0.25	S	S	*	.	S	Bend	trans	-91.2	-54.1	-174.8	-67.5	-174.7	178.8	-178	0	112.6	F116 Q117 Q118	K114-F116 PolarHBondContact O-N 2.88Å; K114-Q117 PolarHBondContact O-N 3.23Å; K114-Q118 WeakPolarHBondContact O-CG 3.37Å; K114-Q118 PolarHBondContact O-N 3.23Å
115	A	97.7	Very high	96.8	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-42.7	-172.8	0	0	0	0	0	112.3	V85 T87 S112 Q117 Q118 L119	V85-A115 HydrophobicContact CG1-CB 3.67Å; T87-A115 HydrophobicContact CG2-CB 3.96Å; S112-A115 WeakPolarHBondContact OG-CB 3.41Å; S112-A115 PolarHBondContact OG-N 3.43Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 PolarHBondContact O-N 3.16Å; A115-Q118 PolarHBondContact O-N 3Å; A115-L119 HydrophobicContact CB-CD1 4.19Å; A115-L119 WeakPolarHBondContact O-CB 3.26Å; A115-L119 VanDerWaalsContact O-CG 3.29Å; A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.22Å
116	F	98.1	Very high	96.9	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-45.6	176.7	-173.1	-90.8	0	0	0	111.1	D82 F102 T111 S112 K114 S120 L342 T343 Y346 K347	D82-F116 PolarHBondContact OD1-N 3.42Å; F102-F116 AromaticContact CE2-CD2 3.87Å; F102-F116 HydrophobicContact CE2-CD2 3.87Å; F102-F116 HydrophobicContact CE2-CE2 4.07Å; F102-F116 HydrophobicContact CZ-CD2 4.06Å; F102-F116 AromaticContact CZ-CE2 3.88Å; F102-F116 HydrophobicContact CZ-CE2 3.88Å; T111-F116 HydrophobicContact CG2-CD1 4.49Å; T111-F116 HydrophobicContact CG2-CD2 3.46Å; T111-F116 VanDerWaalsContact CG2-CD2 3.46Å; T111-F116 HydrophobicContact CG2-CE2 3.55Å; T111-F116 HydrophobicContact CG2-CG 3.97Å; T111-F116 HydrophobicContact CG2-CZ 4.12Å; S112-F116 WeakPolarHBondContact O-CB 3.01Å; S112-F116 PolarHBondContact OG-N 2.88Å; K114-F116 PolarHBondContact O-N 2.88Å; F116-S120 WeakPolarHBondContact O-CA 3.3Å; F116-S120 WeakPolarHBondContact O-CB 3.41Å; F116-S120 PolarHBondContact O-N 3.03Å; F116-L342 HydrophobicContact CE2-CB 4Å; F116-L342 HydrophobicContact CE2-CD1 4.4Å; F116-L342 HydrophobicContact CZ-CB 3.95Å; F116-T343 WeakPolarHBondContact CE1-OG1 3.39Å; F116-Y346 HydrophobicContact CE2-CD1 4.07Å; F116-Y346 HydrophobicContact CZ-CD1 4.33Å; F116-K347 HydrophobicContact CD1-CD 4.4Å; F116-K347 HydrophobicContact CE1-CD 3.67Å; F116-K347 HydrophobicContact CE1-CG 4.11Å; F116-K347 HydrophobicContact CZ-CD 4.18Å; F116-K347 HydrophobicContact CZ-CG 4.12Å
117	Q	95.9	Very high	96.9	Very high	148 Å²	148	44.1 Å²	44.1	69%	0.692	24%	0.239	S	C	*	.	H	α-helix	trans	-65.2	-46.2	-179.8	-175	179.1	2.3	0	0	112	K114 A115	K114-Q117 PolarHBondContact O-N 3.23Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 PolarHBondContact O-N 3.16Å
118	Q	96.8	Very high	97	Very high	118 Å²	118	44.1 Å²	44.1	55%	0.551	24%	0.239	S	C	*	.	H	α-helix	trans	-76.4	-31.7	-175.3	-67.6	-179	7.7	0	0	113.1	T87 K114 A115	T87-Q118 VanDerWaalsContact CB-OE1 3.28Å; T87-Q118 HydrophobicContact CG2-CB 4.09Å; T87-Q118 VanDerWaalsContact CG2-OE1 3.29Å; T87-Q118 PolarHBondContact OG1-OE1 3.37Å; K114-Q118 WeakPolarHBondContact O-CG 3.37Å; K114-Q118 PolarHBondContact O-N 3.23Å; A115-Q118 PolarHBondContact O-N 3Å
119	L	97.4	Very high	97	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-101.8	0.3	-175.5	-51.5	179	0	0	0	113.1	T87 L90 A115 T121 F123 Y124	T87-L119 HydrophobicContact CG2-CD1 4.23Å; T87-L119 HydrophobicContact CG2-CD2 4.35Å; T87-L119 HydrophobicContact CG2-CG 4.14Å; L90-L119 HydrophobicContact CD1-CD1 4.01Å; L90-L119 HydrophobicContact CD1-CD2 3.54Å; L90-L119 HydrophobicContact CD1-CG 4.39Å; L90-L119 HydrophobicContact CD2-CD1 4.08Å; A115-L119 HydrophobicContact CB-CD1 4.19Å; A115-L119 WeakPolarHBondContact O-CB 3.26Å; A115-L119 VanDerWaalsContact O-CG 3.29Å; A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.22Å; L119-T121 PolarHBondContact O-N 3.09Å; L119-F123 HydrophobicContact CB-CB 4.04Å; L119-F123 HydrophobicContact CB-CD1 4Å; L119-F123 HydrophobicContact CB-CG 4.14Å; L119-F123 HydrophobicContact CD1-CD1 4.06Å; L119-F123 HydrophobicContact CD1-CE1 4.08Å; L119-F123 HydrophobicContact CD2-CB 4.18Å; L119-F123 HydrophobicContact CD2-CD1 4.19Å; L119-F123 HydrophobicContact CD2-CD2 4Å; L119-F123 HydrophobicContact CD2-CE2 4.45Å; L119-F123 HydrophobicContact CD2-CG 3.85Å; L119-F123 HydrophobicContact CG-CD1 4.3Å; L119-F123 HydrophobicContact CG-CG 4.39Å; L119-Y124 HydrophobicContact CB-CD2 4.38Å; L119-Y124 HydrophobicContact CB-CE2 3.59Å; L119-Y124 VanDerWaalsContact O-CD2 3.28Å; L119-Y124 WeakPolarHBondContact O-CD2 3.47Å; L119-Y124 WeakPolarHBondContact O-CE2 3.39Å
120	S	96.1	Very high	97	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.035	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.6	-177.7	172.8	0	0	0	0	113.8	F116 N341 L342 T343	F116-S120 WeakPolarHBondContact O-CA 3.3Å; F116-S120 WeakPolarHBondContact O-CB 3.41Å; F116-S120 PolarHBondContact O-N 3.03Å; S120-N341 WeakPolarHBondContact O-CA 3.4Å; S120-N341 PolarHBondContact OG-OD1 3.34Å; S120-L342 PolarHBondContact O-N 2.77Å; S120-L342 PolarHBondContact OG-N 2.82Å; S120-T343 WeakPolarHBondContact OG-CB 3.5Å; S120-T343 PolarHBondContact OG-N 2.89Å; S120-T343 PolarHBondContact OG-OG1 3.07Å
121	T	96	Very high	97	Very high	78 Å²	78	39.1 Å²	39.1	48%	0.479	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-134	135.5	-174.7	51.7	0	0	0	0	110	L119 F123 N341	L119-T121 PolarHBondContact O-N 3.09Å; T121-F123 PolarHBondContact O-N 3.08Å; T121-N341 HydrophobicContact CG2-CB 4.02Å
122	G	91.4	Very high	96.9	Very high	72 Å²	72	44.3 Å²	44.3	74%	0.742	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	-11.5	171.9	0	0	0	0	0	116.2
123	F	96.7	Very high	96.9	Very high	34 Å²	34	47.1 Å²	47.1	15%	0.149	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-54.1	-179.6	-173.7	-101.5	0	0	0	113.1	F80 L90 F100 L119 T121	F80-F123 HydrophobicContact CD1-CE1 4.33Å; F80-F123 HydrophobicContact CD2-CE1 4.13Å; F80-F123 HydrophobicContact CE1-CE1 4.18Å; F80-F123 AromaticContact CE1-CZ 3.97Å; F80-F123 HydrophobicContact CE1-CZ 3.97Å; F80-F123 AromaticContact CE2-CE1 4Å; F80-F123 HydrophobicContact CE2-CE1 4Å; F80-F123 HydrophobicContact CE2-CZ 4.2Å; F80-F123 HydrophobicContact CG-CE1 4.29Å; F80-F123 HydrophobicContact CZ-CE1 4.02Å; F80-F123 AromaticContact CZ-CZ 3.8Å; F80-F123 HydrophobicContact CZ-CZ 3.8Å; L90-F123 HydrophobicContact CB-CE2 4.45Å; L90-F123 HydrophobicContact CB-CZ 4.49Å; L90-F123 HydrophobicContact CD1-CE2 4.04Å; L90-F123 HydrophobicContact CD1-CZ 4.23Å; L90-F123 HydrophobicContact CD2-CE1 4.44Å; L90-F123 HydrophobicContact CD2-CE2 4.45Å; L90-F123 HydrophobicContact CD2-CZ 3.85Å; L90-F123 HydrophobicContact CG-CZ 4.42Å; F100-F123 HydrophobicContact CD2-CD1 4.23Å; F100-F123 HydrophobicContact CD2-CD2 4.18Å; F100-F123 AromaticContact CD2-CE1 3.74Å; F100-F123 HydrophobicContact CD2-CE1 3.74Å; F100-F123 AromaticContact CD2-CE2 3.68Å; F100-F123 HydrophobicContact CD2-CE2 3.68Å; F100-F123 HydrophobicContact CD2-CG 4.43Å; F100-F123 AromaticContact CD2-CZ 3.43Å; F100-F123 HydrophobicContact CD2-CZ 3.43Å; F100-F123 VanDerWaalsContact CD2-CZ 3.43Å; F100-F123 HydrophobicContact CE2-CD2 4.43Å; F100-F123 HydrophobicContact CE2-CE1 4.36Å; F100-F123 AromaticContact CE2-CE2 3.65Å; F100-F123 HydrophobicContact CE2-CE2 3.65Å; F100-F123 AromaticContact CE2-CZ 3.6Å; F100-F123 HydrophobicContact CE2-CZ 3.6Å; L119-F123 HydrophobicContact CB-CB 4.04Å; L119-F123 HydrophobicContact CB-CD1 4Å; L119-F123 HydrophobicContact CB-CG 4.14Å; L119-F123 HydrophobicContact CD1-CD1 4.06Å; L119-F123 HydrophobicContact CD1-CE1 4.08Å; L119-F123 HydrophobicContact CD2-CB 4.18Å; L119-F123 HydrophobicContact CD2-CD1 4.19Å; L119-F123 HydrophobicContact CD2-CD2 4Å; L119-F123 HydrophobicContact CD2-CE2 4.45Å; L119-F123 HydrophobicContact CD2-CG 3.85Å; L119-F123 HydrophobicContact CG-CD1 4.3Å; L119-F123 HydrophobicContact CG-CG 4.39Å; T121-F123 PolarHBondContact O-N 3.08Å
124	Y	98.2	Very high	97.2	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.217	C	C	.	.			trans	-83.2	148.3	-178.1	-59	-69.4	0	0	0	112.3	F80 F100 F102 L119 L342	F80-Y124 HydrophobicContact CB-CE1 3.86Å; F80-Y124 HydrophobicContact CD2-CD1 4.44Å; F80-Y124 AromaticContact CD2-CE1 3.91Å; F80-Y124 HydrophobicContact CD2-CE1 3.91Å; F80-Y124 HydrophobicContact CG-CE1 4.07Å; F100-Y124 HydrophobicContact CB-CD1 4.42Å; F100-Y124 CarbonylContact O-C 3.53Å; F100-Y124 WeakPolarHBondContact O-CA 3.5Å; F102-Y124 HydrophobicContact CB-CD1 3.81Å; F102-Y124 HydrophobicContact CB-CD2 3.94Å; F102-Y124 HydrophobicContact CB-CE1 4.13Å; F102-Y124 HydrophobicContact CB-CE2 4.2Å; F102-Y124 HydrophobicContact CB-CG 3.7Å; F102-Y124 HydrophobicContact CD2-CD2 4.4Å; F102-Y124 AromaticContact CD2-CE2 3.95Å; F102-Y124 HydrophobicContact CD2-CE2 3.95Å; F102-Y124 VanDerWaalsContact N-CD1 3.34Å; L119-Y124 HydrophobicContact CB-CD2 4.38Å; L119-Y124 HydrophobicContact CB-CE2 3.59Å; L119-Y124 VanDerWaalsContact O-CD2 3.28Å; L119-Y124 WeakPolarHBondContact O-CD2 3.47Å; L119-Y124 WeakPolarHBondContact O-CE2 3.39Å; Y124-L342 HydrophobicContact CD2-CD1 3.4Å; Y124-L342 VanDerWaalsContact CD2-CD1 3.4Å; Y124-L342 HydrophobicContact CD2-CG 4.37Å; Y124-L342 HydrophobicContact CE2-CD1 3.69Å; Y124-L342 HydrophobicContact CG-CD1 4.37Å
125	T	98.1	Very high	97.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.195	C	C	.	.	S	Bend	trans	-113	-21.4	172.6	54.6	0	0	0	0	114.3	H99 F100 P335 S336 A339	H99-T125 VanDerWaalsContact CA-OG1 3.28Å; H99-T125 WeakPolarHBondContact CA-OG1 3.43Å; H99-T125 WeakPolarHBondContact ND1-CB 3.26Å; H99-T125 PolarHBondContact ND1-OG1 2.92Å; F100-T125 PolarHBondContact N-OG1 3.18Å; F100-T125 VanDerWaalsContact N-OG1 3.07Å; F100-T125 PolarHBondContact O-N 3.23Å; F100-T125 PolarHBondContact O-OG1 2.86Å; T125-P335 HydrophobicContact CG2-CG 4.24Å; T125-S336 PolarHBondContact O-N 3.11Å; T125-A339 VanDerWaalsContact C-CB 3.43Å; T125-A339 WeakPolarHBondContact O-CB 3.24Å
126	L	98.6	Very high	97.3	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.5	173.9	-63.9	176.1	0	0	0	111.9	H99 F100 V101 F102 D135 L320 K323	H99-L126 HydrophobicContact CB-CD1 3.88Å; H99-L126 HydrophobicContact CB-CG 4.28Å; H99-L126 WeakPolarHBondContact ND1-CG 3.33Å; F100-L126 PolarHBondContact O-N 2.83Å; V101-L126 WeakPolarHBondContact CA-O 3.37Å; V101-L126 HydrophobicContact CG1-CB 4.26Å; V101-L126 HydrophobicContact CG2-CB 4.25Å; V101-L126 HydrophobicContact CG2-CD1 4.46Å; F102-L126 PolarHBondContact N-O 2.93Å; L126-D135 WeakPolarHBondContact CA-OD2 3.05Å; L126-D135 HydrophobicContact CB-CB 4.31Å; L126-D135 HydrophobicContact CD2-CB 3.85Å; L126-L320 HydrophobicContact CD1-CD1 4.44Å; L126-K323 HydrophobicContact CD1-CD 4.26Å; L126-K323 HydrophobicContact CD2-CD 4.4Å
127	T	98.8	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.6	174	54	0	0	0	0	111.1	F102 D135 V136 T338 A339 L342 W345	F102-T127 HydrophobicContact CD1-CG2 4.38Å; T127-D135 PolarHBondContact N-OD2 3.23Å; T127-D135 WeakPolarHBondContact O-CB 3.36Å; T127-D135 PolarHBondContact O-N 2.98Å; T127-D135 PolarHBondContact OG1-N 3.24Å; T127-D135 PolarHBondContact OG1-OD2 2.56Å; T127-V136 PolarHBondContact O-N 3.48Å; T127-T338 PolarHBondContact OG1-OG1 2.98Å; T127-A339 HydrophobicContact CG2-CB 4.09Å; T127-L342 HydrophobicContact CG2-CD2 3.53Å; T127-W345 HydrophobicContact CG2-CE3 4.02Å; T127-W345 HydrophobicContact CG2-CH2 3.97Å; T127-W345 HydrophobicContact CG2-CZ3 3.43Å; T127-W345 VanDerWaalsContact CG2-CZ3 3.43Å
128	M	98.8	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	104.3	178.6	-176.9	167.7	103.1	0	0	110	V79 V101 F102 F103 L104 V136 F138 F317 L320	V79-M128 HydrophobicContact CG1-CE 4.29Å; V101-M128 HydrophobicContact CG1-CB 3.61Å; F102-M128 PolarHBondContact O-N 3.3Å; F103-M128 WeakPolarHBondContact CA-O 3.37Å; F103-M128 HydrophobicContact CB-CE 4.32Å; F103-M128 HydrophobicContact CD1-CE 4.33Å; F103-M128 HydrophobicContact CD2-CB 4.35Å; F103-M128 HydrophobicContact CD2-CE 3.29Å; F103-M128 HydrophobicContact CD2-CG 4.03Å; F103-M128 WeakPolarHBondContact CD2-O 3.46Å; F103-M128 HydrophobicContact CD2-SD 4.49Å; F103-M128 HydrophobicContact CE2-CE 3.54Å; F103-M128 HydrophobicContact CG-CE 3.74Å; F103-M128 HydrophobicContact CZ-CE 4.17Å; L104-M128 PolarHBondContact N-O 3.16Å; M128-V136 WeakPolarHBondContact CA-O 3.3Å; M128-V136 HydrophobicContact CB-CB 3.97Å; M128-V136 HydrophobicContact CB-CG1 4.47Å; M128-V136 HydrophobicContact CG-CB 3.82Å; M128-V136 HydrophobicContact CG-CG1 3.77Å; M128-V136 HydrophobicContact SD-CB 4.31Å; M128-V136 HydrophobicContact SD-CG1 3.88Å; M128-F138 HydrophobicContact CE-CD2 3.56Å; M128-F138 HydrophobicContact CE-CE2 3.43Å; M128-F138 VanDerWaalsContact CE-CE2 3.43Å; M128-F138 HydrophobicContact CG-CB 4.25Å; M128-F138 HydrophobicContact CG-CD2 3.64Å; M128-F138 HydrophobicContact CG-CE2 4.49Å; M128-F138 HydrophobicContact CG-CG 4.45Å; M128-F138 HydrophobicContact SD-CD2 3.77Å; M128-F138 HydrophobicContact SD-CE2 4.12Å; M128-F317 HydrophobicContact CE-CE1 4.14Å; M128-F317 HydrophobicContact CE-CZ 4.13Å; M128-L320 HydrophobicContact SD-CB 4.15Å; M128-L320 HydrophobicContact SD-CD2 3.94Å
129	N	98.2	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-175.8	-178.6	61.1	70.3	0	0	0	112.7	L104 R131 V136 F138 W345	L104-N129 WeakPolarHBondContact O-CB 3.35Å; N129-R131 VanDerWaalsContact C-N 3.26Å; N129-R131 PolarHBondContact O-N 3.24Å; N129-R131 VanDerWaalsContact OD1-CB 3.26Å; N129-R131 WeakPolarHBondContact OD1-CB 3.45Å; N129-R131 PolarHBondContact OD1-N 2.98Å; N129-V136 PolarHBondContact N-O 3.13Å; N129-F138 CarbonylContact C-O 3.52Å; N129-F138 PolarHBondContact O-N 3.32Å; N129-W345 VanDerWaalsContact ND2-CH2 3.27Å; N129-W345 WeakPolarHBondContact ND2-CH2 3.46Å
130	Y	97.1	Very high	97.2	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.012	15%	0.15	C	C	.	.	S	Bend	trans	-66.4	-18.1	-176	71.8	-96.8	0	0	0	115	L105 E106 P108 H137 F138 V234 D235 Y236 Y346	L105-Y130 WeakPolarHBondContact O-CD1 3.43Å; E106-Y130 WeakPolarHBondContact O-CE1 3.38Å; P108-Y130 WeakPolarHBondContact CD-OH 3.36Å; Y130-H137 PolarHBondContact O-CD2 2.82Å; Y130-H137 VanDerWaalsContact O-CD2 3.31Å; Y130-H137 PolarHBondContact O-NE2 2.77Å; Y130-F138 VanDerWaalsContact CA-O 3.29Å; Y130-F138 WeakPolarHBondContact CA-O 3.17Å; Y130-F138 PolarHBondContact N-O 3.06Å; Y130-V234 WeakPolarHBondContact CE2-O 3.47Å; Y130-D235 HydrophobicContact CD2-CB 4.31Å; Y130-D235 WeakPolarHBondContact CD2-O 2.93Å; Y130-D235 HydrophobicContact CE2-CB 4.38Å; Y130-Y236 AromaticContact CD1-CD2 3.63Å; Y130-Y236 HydrophobicContact CD1-CD2 3.63Å; Y130-Y236 HydrophobicContact CD1-CE2 4.02Å; Y130-Y236 AromaticContact CD2-CD2 3.92Å; Y130-Y236 HydrophobicContact CD2-CD2 3.92Å; Y130-Y236 AromaticContact CE1-CD2 3.38Å; Y130-Y236 HydrophobicContact CE1-CD2 3.38Å; Y130-Y236 AromaticContact CE1-CE2 3.9Å; Y130-Y236 HydrophobicContact CE1-CE2 3.9Å; Y130-Y236 HydrophobicContact CE1-CG 4.38Å; Y130-Y236 AromaticContact CE2-CD2 3.73Å; Y130-Y236 HydrophobicContact CE2-CD2 3.73Å; Y130-Y236 HydrophobicContact CE2-CG 4.15Å; Y130-Y236 AromaticContact CG-CD2 3.89Å; Y130-Y236 HydrophobicContact CG-CD2 3.89Å; Y130-Y236 AromaticContact CZ-CD2 3.45Å; Y130-Y236 VanDerWaalsContact CZ-CD2 3.45Å; Y130-Y346 HydrophobicContact CE1-CE2 4.4Å; Y130-Y346 WeakPolarHBondContact CE1-OH 3.44Å
131	R	97.4	Very high	97.1	Very high	21 Å²	21	26.4 Å²	26.4	8%	0.079	15%	0.149	C	C	.	.			trans	-67.7	138.5	-178.2	-71.7	-172.2	53.8	150.8	-2.5	110.8	N129 D133 A134 H137 W345 Y346	N129-R131 VanDerWaalsContact C-N 3.26Å; N129-R131 PolarHBondContact O-N 3.24Å; N129-R131 VanDerWaalsContact OD1-CB 3.26Å; N129-R131 WeakPolarHBondContact OD1-CB 3.45Å; N129-R131 PolarHBondContact OD1-N 2.98Å; R131-D133 WeakPolarHBondContact CB-OD1 3.2Å; R131-D133 IonicContact CZ-OD1 3.88Å; R131-D133 VanDerWaalsContact CZ-OD1 3.24Å; R131-D133 IonicContact CZ-OD2 2.76Å; R131-D133 IonicContact NE-OD1 3.83Å; R131-D133 PolarHBondContact NE-OD1 3.23Å; R131-D133 IonicContact NE-OD2 3.53Å; R131-D133 IonicContact NH2-OD1 3.59Å; R131-D133 PolarHBondContact NH2-OD1 2.77Å; R131-D133 IonicContact NH2-OD2 3.07Å; R131-D133 PolarHBondContact NH2-OD2 2.76Å; R131-D133 PolarHBondContact O-N 3.05Å; R131-A134 HydrophobicContact CB-CB 4.45Å; R131-A134 VanDerWaalsContact O-CB 3.31Å; R131-A134 WeakPolarHBondContact O-CB 3.23Å; R131-A134 PolarHBondContact O-N 2.72Å; R131-A134 VanDerWaalsContact O-N 3.15Å; R131-H137 PolarHBondContact O-CD2 3.35Å; R131-H137 VanDerWaalsContact O-CD2 3.24Å; R131-W345 HydrophobicContact CB-CZ2 4.21Å; R131-W345 PolarHBondContact NH1-O 2.87Å; R131-Y346 HydrophobicContact CG-CE2 4.11Å
132	R	96.7	Very high	97	Very high	124 Å²	124	25.2 Å²	25.2	47%	0.468	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.2	-178.2	-67.7	179.9	-67.1	157	-0.4	113.1	D235 A261	R132-D235 WeakPolarHBondContact CB-OD2 3.25Å; R132-D235 HydrophobicContact CG-CB 4.49Å; R132-D235 WeakPolarHBondContact CG-OD2 3.42Å; R132-D235 IonicContact CZ-OD1 3.25Å; R132-D235 VanDerWaalsContact CZ-OD1 3.25Å; R132-D235 PolarHBondContact N-OD2 2.97Å; R132-D235 VanDerWaalsContact NE-CG 3.25Å; R132-D235 IonicContact NE-OD1 2.88Å; R132-D235 PolarHBondContact NE-OD1 3.25Å; R132-D235 IonicContact NE-OD2 3.25Å; R132-D235 PolarHBondContact NE-OD2 2.7Å; R132-D235 IonicContact NH2-OD1 2.6Å; R132-D235 PolarHBondContact NH2-OD1 3.2Å; R132-D235 IonicContact NH2-OD2 2.94Å; R132-A261 PolarHBondContact NH1-O 3.33Å
133	D	97.3	Very high	97.2	Very high	76 Å²	76	23.8 Å²	23.8	41%	0.406	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	8.9	176.5	72.5	-35.3	0	0	0	114	R131 T338 W345	R131-D133 WeakPolarHBondContact CB-OD1 3.2Å; R131-D133 IonicContact CZ-OD1 3.88Å; R131-D133 VanDerWaalsContact CZ-OD1 3.24Å; R131-D133 IonicContact CZ-OD2 2.76Å; R131-D133 IonicContact NE-OD1 3.83Å; R131-D133 PolarHBondContact NE-OD1 3.23Å; R131-D133 IonicContact NE-OD2 3.53Å; R131-D133 IonicContact NH2-OD1 3.59Å; R131-D133 PolarHBondContact NH2-OD1 2.77Å; R131-D133 IonicContact NH2-OD2 3.07Å; R131-D133 PolarHBondContact NH2-OD2 2.76Å; R131-D133 PolarHBondContact O-N 3.05Å; D133-T338 WeakPolarHBondContact O-CG2 3.49Å; D133-W345 PolarHBondContact OD2-NE1 3.24Å
134	A	98.5	Very high	97	Very high	11 Å²	11	26.1 Å²	26.1	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	-66.8	153.5	168.9	0	0	0	0	0	110.9	R131 V136 W345	R131-A134 HydrophobicContact CB-CB 4.45Å; R131-A134 VanDerWaalsContact O-CB 3.31Å; R131-A134 WeakPolarHBondContact O-CB 3.23Å; R131-A134 PolarHBondContact O-N 2.72Å; R131-A134 VanDerWaalsContact O-N 3.15Å; A134-V136 PolarHBondContact O-N 2.9Å; A134-W345 HydrophobicContact CB-CH2 3.91Å; A134-W345 HydrophobicContact CB-CZ2 4.13Å
135	D	98.5	Very high	96.8	Very high	42 Å²	42	31.5 Å²	31.5	23%	0.225	16%	0.156	C	C	.	.	S	Bend	trans	-60.9	-35	178.3	-61.9	-68.5	0	0	0	112.3	L126 T127 S336 T338	L126-D135 WeakPolarHBondContact CA-OD2 3.05Å; L126-D135 HydrophobicContact CB-CB 4.31Å; L126-D135 HydrophobicContact CD2-CB 3.85Å; T127-D135 PolarHBondContact N-OD2 3.23Å; T127-D135 WeakPolarHBondContact O-CB 3.36Å; T127-D135 PolarHBondContact O-N 2.98Å; T127-D135 PolarHBondContact OG1-N 3.24Å; T127-D135 PolarHBondContact OG1-OD2 2.56Å; D135-S336 WeakPolarHBondContact OD1-CB 3.4Å; D135-S336 PolarHBondContact OD1-OG 2.61Å; D135-S336 VanDerWaalsContact OD1-OG 3.11Å; D135-S336 WeakPolarHBondContact OD2-CB 3.24Å; D135-S336 PolarHBondContact OD2-OG 2.84Å; D135-T338 PolarHBondContact OD2-OG1 2.98Å
136	V	98.5	Very high	96.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	98.2	171.3	-177.8	0	0	0	0	108.5	T127 M128 N129 A134 F138 G316 K319 L320 K323	T127-V136 PolarHBondContact O-N 3.48Å; M128-V136 WeakPolarHBondContact CA-O 3.3Å; M128-V136 HydrophobicContact CB-CB 3.97Å; M128-V136 HydrophobicContact CB-CG1 4.47Å; M128-V136 HydrophobicContact CG-CB 3.82Å; M128-V136 HydrophobicContact CG-CG1 3.77Å; M128-V136 HydrophobicContact SD-CB 4.31Å; M128-V136 HydrophobicContact SD-CG1 3.88Å; N129-V136 PolarHBondContact N-O 3.13Å; A134-V136 PolarHBondContact O-N 2.9Å; V136-F138 PolarHBondContact O-N 2.85Å; V136-G316 WeakPolarHBondContact CG1-O 3.35Å; V136-K319 HydrophobicContact CG1-CB 3.92Å; V136-L320 HydrophobicContact CG1-CB 4.03Å; V136-L320 HydrophobicContact CG2-CB 4.17Å; V136-L320 HydrophobicContact CG2-CD1 3.9Å; V136-K323 HydrophobicContact CG2-CD 3.94Å
137	H	97.5	Very high	95.9	Very high	49 Å²	49	39.9 Å²	39.9	23%	0.227	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	114.7	177.6	177.4	-143.4	0	0	0	111.7	Y130 R131 P139 K319	Y130-H137 PolarHBondContact O-CD2 2.82Å; Y130-H137 VanDerWaalsContact O-CD2 3.31Å; Y130-H137 PolarHBondContact O-NE2 2.77Å; R131-H137 PolarHBondContact O-CD2 3.35Å; R131-H137 VanDerWaalsContact O-CD2 3.24Å; H137-P139 WeakPolarHBondContact NE2-CB 3.5Å; H137-P139 WeakPolarHBondContact O-CD 3.39Å; H137-K319 WeakPolarHBondContact O-CD 3.38Å; H137-K319 PolarHBondContact O-NZ 3.4Å
138	F	97.3	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.			trans	-123.7	71.9	-174.4	-156.4	-46.1	0	0	0	110.3	F103 L105 M128 N129 Y130 V136 R312 Y313 F317	F103-F138 HydrophobicContact CE2-CD2 4.04Å; F103-F138 AromaticContact CE2-CE2 3.96Å; F103-F138 HydrophobicContact CE2-CE2 3.96Å; F103-F138 HydrophobicContact CE2-CZ 4.37Å; F103-F138 HydrophobicContact CZ-CE2 4.39Å; L105-F138 HydrophobicContact CD1-CD1 4.31Å; L105-F138 HydrophobicContact CD1-CE1 4.13Å; L105-F138 HydrophobicContact CD2-CB 4.05Å; L105-F138 HydrophobicContact CD2-CD1 3.69Å; L105-F138 HydrophobicContact CD2-CE1 4.28Å; L105-F138 HydrophobicContact CD2-CG 3.88Å; L105-F138 WeakPolarHBondContact CD2-O 2.96Å; M128-F138 HydrophobicContact CE-CD2 3.56Å; M128-F138 HydrophobicContact CE-CE2 3.43Å; M128-F138 VanDerWaalsContact CE-CE2 3.43Å; M128-F138 HydrophobicContact CG-CB 4.25Å; M128-F138 HydrophobicContact CG-CD2 3.64Å; M128-F138 HydrophobicContact CG-CE2 4.49Å; M128-F138 HydrophobicContact CG-CG 4.45Å; M128-F138 HydrophobicContact SD-CD2 3.77Å; M128-F138 HydrophobicContact SD-CE2 4.12Å; N129-F138 CarbonylContact C-O 3.52Å; N129-F138 PolarHBondContact O-N 3.32Å; Y130-F138 VanDerWaalsContact CA-O 3.29Å; Y130-F138 WeakPolarHBondContact CA-O 3.17Å; Y130-F138 PolarHBondContact N-O 3.06Å; V136-F138 PolarHBondContact O-N 2.85Å; F138-R312 HydrophobicContact CD1-CG 4.36Å; F138-R312 HydrophobicContact CE1-CG 4.01Å; F138-R312 VanDerWaalsContact CE1-O 3.3Å; F138-R312 WeakPolarHBondContact CE1-O 3.35Å; F138-Y313 AromaticContact CE1-CD1 3.91Å; F138-Y313 HydrophobicContact CE1-CD1 3.91Å; F138-Y313 AromaticContact CZ-CD1 3.73Å; F138-Y313 HydrophobicContact CZ-CD1 3.73Å; F138-Y313 HydrophobicContact CZ-CG 4.45Å; F138-F317 HydrophobicContact CE2-CD2 4.17Å; F138-F317 HydrophobicContact CE2-CE2 4.22Å; F138-F317 HydrophobicContact CZ-CD2 4.3Å; F138-F317 HydrophobicContact CZ-CE2 4.33Å
139	P	95.7	Very high	94.9	Very high	17 Å²	17	53.3 Å²	53.3	11%	0.11	28%	0.277	C	S	.	.			trans	-72.8	163	-176.9	31.3	-35	0	0	0	111.9	H137 G141 R312	H137-P139 WeakPolarHBondContact NE2-CB 3.5Å; H137-P139 WeakPolarHBondContact O-CD 3.39Å; P139-G141 WeakPolarHBondContact CB-O 2.91Å; P139-G141 PolarHBondContact O-N 2.88Å; P139-R312 VanDerWaalsContact O-CG 3.26Å; P139-R312 WeakPolarHBondContact O-CG 3.22Å
140	F	95.2	Very high	94.6	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.053	28%	0.284	C	S	.	.	S	Bend	trans	-73.9	-15.5	173.7	-77.4	-103.8	0	0	0	114	L105 Y236 V237 T238 E239 F242 G308 R312	L105-F140 HydrophobicContact CB-CE2 4.15Å; L105-F140 HydrophobicContact CB-CZ 3.84Å; L105-F140 WeakPolarHBondContact O-CE2 3.34Å; L105-F140 VanDerWaalsContact O-CZ 3.23Å; L105-F140 WeakPolarHBondContact O-CZ 3.37Å; F140-Y236 AromaticContact CE2-CE2 3.99Å; F140-Y236 HydrophobicContact CE2-CE2 3.99Å; F140-Y236 HydrophobicContact CZ-CE2 4.38Å; F140-V237 WeakPolarHBondContact CB-O 3.04Å; F140-T238 HydrophobicContact CD1-CG2 4.19Å; F140-T238 HydrophobicContact CD2-CG2 4.11Å; F140-T238 HydrophobicContact CE1-CG2 4.18Å; F140-T238 HydrophobicContact CE2-CG2 4.07Å; F140-T238 HydrophobicContact CG-CG2 4.2Å; F140-T238 HydrophobicContact CZ-CG2 4.12Å; F140-E239 VanDerWaalsContact CD1-OE2 3.28Å; F140-E239 WeakPolarHBondContact CD1-OE2 3.5Å; F140-F242 HydrophobicContact CB-CD2 4.28Å; F140-F242 HydrophobicContact CB-CE2 4.31Å; F140-G308 CarbonylContact O-C 3.46Å; F140-R312 VanDerWaalsContact CD1-CZ 3.41Å; F140-R312 VanDerWaalsContact O-CZ 3.27Å; F140-R312 PolarHBondContact O-NE 3.43Å; F140-R312 PolarHBondContact O-NH2 3.2Å
141	G	94.9	Very high	94.5	Very high	3 Å²	3	57.5 Å²	57.5	3%	0.031	30%	0.304	C	S	.	.			trans	-176.9	174.6	177.1	0	0	0	0	0	111.1	P139 F242 V307	P139-G141 WeakPolarHBondContact CB-O 2.91Å; P139-G141 PolarHBondContact O-N 2.88Å; G141-F242 VanDerWaalsContact C-CE1 3.41Å; G141-F242 VanDerWaalsContact C-CZ 3.44Å; G141-F242 WeakPolarHBondContact O-CZ 3.23Å; G141-V307 CarbonylContact C-O 3.5Å; G141-V307 WeakPolarHBondContact CA-O 3.48Å
142	F	94.1	Very high	94.3	Very high	54 Å²	54	61.9 Å²	61.9	24%	0.237	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	166.1	-178.4	62.3	-80.1	0	0	0	111	K144 V307	F142-K144 HydrophobicContact CD2-CG 3.93Å; F142-K144 HydrophobicContact CE2-CD 3.93Å; F142-K144 HydrophobicContact CE2-CG 3.46Å; F142-K144 VanDerWaalsContact CE2-CG 3.46Å; F142-K144 HydrophobicContact CZ-CD 4.49Å; F142-K144 HydrophobicContact CZ-CG 4.42Å; F142-V307 HydrophobicContact CD1-CB 4.16Å; F142-V307 HydrophobicContact CD1-CG1 4.25Å; F142-V307 HydrophobicContact CE1-CB 3.92Å; F142-V307 HydrophobicContact CE1-CG1 3.61Å; F142-V307 HydrophobicContact CE2-CB 4.35Å; F142-V307 HydrophobicContact CE2-CG2 4.45Å; F142-V307 HydrophobicContact CG-CB 4.45Å; F142-V307 HydrophobicContact CZ-CB 4.04Å; F142-V307 HydrophobicContact CZ-CG1 3.82Å; F142-V307 HydrophobicContact CZ-CG2 4.41Å; F142-V307 PolarHBondContact N-O 3.28Å; F142-V307 PolarHBondContact O-N 3.23Å
143	F	94.2	Very high	94.3	Very high	41 Å²	41	60.1 Å²	60.1	18%	0.18	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.4	176	-66.3	-89.9	0	0	0	110.4	Y241 F242 L245 I262 P264 W300 A304 E305	F143-Y241 AromaticContact CE2-CE1 3.91Å; F143-Y241 HydrophobicContact CE2-CE1 3.91Å; F143-Y241 AromaticContact CZ-CE1 3.82Å; F143-Y241 HydrophobicContact CZ-CE1 3.82Å; F143-Y241 AromaticContact CZ-CZ 3.97Å; F143-F242 HydrophobicContact CD2-CE1 4.26Å; F143-F242 HydrophobicContact CE2-CD1 4.1Å; F143-F242 AromaticContact CE2-CE1 3.72Å; F143-F242 HydrophobicContact CE2-CE1 3.72Å; F143-F242 HydrophobicContact CZ-CD1 4.38Å; F143-F242 HydrophobicContact CZ-CE1 4.42Å; F143-L245 HydrophobicContact CE1-CD1 3.7Å; F143-L245 HydrophobicContact CZ-CD1 3.48Å; F143-L245 VanDerWaalsContact CZ-CD1 3.48Å; F143-I262 WeakPolarHBondContact CD2-O 3.46Å; F143-P264 HydrophobicContact CD1-CG 4.22Å; F143-P264 HydrophobicContact CE1-CG 4.13Å; F143-P264 VanDerWaalsContact CZ-CD 3.43Å; F143-P264 HydrophobicContact CZ-CG 4.47Å; F143-W300 HydrophobicContact CD1-CE3 4.37Å; F143-W300 HydrophobicContact CD1-CZ3 4.06Å; F143-W300 HydrophobicContact CE1-CE3 4.14Å; F143-W300 HydrophobicContact CE1-CH2 4.24Å; F143-W300 AromaticContact CE1-CZ3 3.8Å; F143-W300 HydrophobicContact CE1-CZ3 3.8Å; F143-A304 HydrophobicContact CB-CB 4.27Å; F143-A304 HydrophobicContact CD1-CB 4.22Å; F143-E305 WeakPolarHBondContact CA-O 3.47Å
144	K	92.5	Very high	94.2	Very high	84 Å²	84	59.3 Å²	59.3	37%	0.365	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.1	170	-68.7	-174.8	-179.6	-179.1	0	109.8	F142 K146 A304 E305 V307	F142-K144 HydrophobicContact CD2-CG 3.93Å; F142-K144 HydrophobicContact CE2-CD 3.93Å; F142-K144 HydrophobicContact CE2-CG 3.46Å; F142-K144 VanDerWaalsContact CE2-CG 3.46Å; F142-K144 HydrophobicContact CZ-CD 4.49Å; F142-K144 HydrophobicContact CZ-CG 4.42Å; K144-K146 PolarHBondContact O-N 3.46Å; K144-A304 CarbonylContact O-C 3.48Å; K144-A304 WeakPolarHBondContact O-CA 3.28Å; K144-E305 PolarHBondContact N-O 3.13Å; K144-E305 PolarHBondContact O-N 2.99Å; K144-V307 HydrophobicContact CD-CG2 3.95Å; K144-V307 HydrophobicContact CG-CG2 4.01Å
145	P	94.2	Very high	94.1	Very high	114 Å²	114	61.5 Å²	61.5	74%	0.74	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	137.8	169.4	-22.1	33.1	0	0	0	110.6	H303	P145-H303 WeakPolarHBondContact CA-O 3.44Å
146	K	90.7	Very high	94	Very high	51 Å²	51	65.9 Å²	65.9	22%	0.222	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-81.8	132.6	177.7	-159	169.1	-169.6	151.4	0	109.9	K144 K148 M301 H303 E305	K144-K146 PolarHBondContact O-N 3.46Å; K146-K148 WeakPolarHBondContact CD-O 3.37Å; K146-K148 WeakPolarHBondContact CE-O 3.26Å; K146-K148 WeakPolarHBondContact CG-O 3.23Å; K146-M301 WeakPolarHBondContact CD-O 3.41Å; K146-M301 PolarHBondContact NZ-O 3.12Å; K146-H303 PolarHBondContact N-O 2.97Å; K146-E305 HydrophobicContact CD-CG 4.32Å; K146-E305 HydrophobicContact CG-CG 4.12Å
147	T	88.5	Confident	94	Very high	132 Å²	132	69.9 Å²	69.9	81%	0.81	38%	0.375	S	S	*	.	S	Bend	trans	-91.5	-19	-179.5	55.6	0	0	0	0	113
148	K	89.1	Confident	93.9	Very high	165 Å²	165	67.6 Å²	67.6	72%	0.717	37%	0.365	S	S	*	.	S	Bend	trans	-124.4	126.1	-178.9	-66	-177	179.6	-179	0	110.9	K146	K146-K148 WeakPolarHBondContact CD-O 3.37Å; K146-K148 WeakPolarHBondContact CE-O 3.26Å; K146-K148 WeakPolarHBondContact CG-O 3.23Å
149	S	87.4	Confident	93.9	Very high	117 Å²	117	72.7 Å²	72.7	82%	0.818	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-60.6	142.9	174	-56.7	0	0	0	0	111.4
150	L	92	Very high	93.9	Very high	31 Å²	31	78.2 Å²	78.2	16%	0.162	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-70	135.6	173	-72.5	173.2	0	0	0	110.5	F154 W155 M301	L150-F154 HydrophobicContact CB-CB 4.48Å; L150-F154 HydrophobicContact CB-CD1 4.04Å; L150-F154 HydrophobicContact CB-CG 4.36Å; L150-F154 HydrophobicContact CD1-CD1 3.67Å; L150-F154 HydrophobicContact CD1-CE1 3.47Å; L150-F154 VanDerWaalsContact CD1-CE1 3.47Å; L150-F154 HydrophobicContact CD1-CG 4.44Å; L150-F154 HydrophobicContact CD1-CZ 4.08Å; L150-F154 HydrophobicContact CD2-CB 4.34Å; L150-F154 HydrophobicContact CD2-CD1 3.84Å; L150-F154 HydrophobicContact CD2-CD2 3.86Å; L150-F154 HydrophobicContact CD2-CE1 4.07Å; L150-F154 HydrophobicContact CD2-CE2 4.07Å; L150-F154 HydrophobicContact CD2-CG 3.73Å; L150-F154 HydrophobicContact CD2-CZ 4.18Å; L150-F154 HydrophobicContact CG-CD1 4.06Å; L150-F154 HydrophobicContact CG-CE1 4.27Å; L150-F154 HydrophobicContact CG-CG 4.4Å; L150-W155 HydrophobicContact CD1-CZ2 4.05Å; L150-M301 HydrophobicContact CD1-CB 3.78Å; L150-M301 VanDerWaalsContact CD1-O 3.22Å; L150-M301 WeakPolarHBondContact CD1-O 3.46Å
151	S	94	Very high	93.9	Very high	60 Å²	60	79.9 Å²	79.9	42%	0.42	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-75.7	156.5	179.9	68.7	0	0	0	0	111.9	T153 F154 W155	S151-T153 PolarHBondContact O-N 3.43Å; S151-T153 VanDerWaalsContact O-N 3.16Å; S151-F154 VanDerWaalsContact O-CB 3.31Å; S151-F154 WeakPolarHBondContact O-CB 3.47Å; S151-F154 PolarHBondContact O-N 3.39Å; S151-F154 PolarHBondContact OG-N 3.31Å; S151-W155 PolarHBondContact O-N 3.2Å
152	P	94.6	Very high	93.8	Very high	113 Å²	113	79.7 Å²	79.7	73%	0.734	41%	0.413	S	S	*	.	H	α-helix	trans	-54.1	-33.1	170.3	-27.4	35.7	0	0	0	113.1	F154 W155 K156	P152-F154 PolarHBondContact O-N 2.94Å; P152-W155 PolarHBondContact O-N 3.09Å; P152-K156 PolarHBondContact O-N 2.69Å
153	T	96.4	Very high	93.8	Very high	87 Å²	87	79.8 Å²	79.8	53%	0.534	42%	0.424	S	S	.	.	H	α-helix	trans	-63.3	-38.3	175.6	-53.9	0	0	0	0	112.4	S151 W155 K156 N157	S151-T153 PolarHBondContact O-N 3.43Å; S151-T153 VanDerWaalsContact O-N 3.16Å; T153-W155 VanDerWaalsContact C-N 3.34Å; T153-W155 PolarHBondContact O-N 3.23Å; T153-K156 PolarHBondContact O-N 2.69Å; T153-N157 WeakPolarHBondContact O-CB 3.43Å; T153-N157 VanDerWaalsContact O-CG 3.27Å; T153-N157 PolarHBondContact O-N 3.2Å
154	F	95.4	Very high	93.8	Very high	60 Å²	60	81 Å²	81	26%	0.263	44%	0.437	S	S	.	.	H	α-helix	trans	-56.8	-49.8	174	171.1	-90.2	0	0	0	110.8	L150 S151 P152 K156 N157 L158 M301	L150-F154 HydrophobicContact CB-CB 4.48Å; L150-F154 HydrophobicContact CB-CD1 4.04Å; L150-F154 HydrophobicContact CB-CG 4.36Å; L150-F154 HydrophobicContact CD1-CD1 3.67Å; L150-F154 HydrophobicContact CD1-CE1 3.47Å; L150-F154 VanDerWaalsContact CD1-CE1 3.47Å; L150-F154 HydrophobicContact CD1-CG 4.44Å; L150-F154 HydrophobicContact CD1-CZ 4.08Å; L150-F154 HydrophobicContact CD2-CB 4.34Å; L150-F154 HydrophobicContact CD2-CD1 3.84Å; L150-F154 HydrophobicContact CD2-CD2 3.86Å; L150-F154 HydrophobicContact CD2-CE1 4.07Å; L150-F154 HydrophobicContact CD2-CE2 4.07Å; L150-F154 HydrophobicContact CD2-CG 3.73Å; L150-F154 HydrophobicContact CD2-CZ 4.18Å; L150-F154 HydrophobicContact CG-CD1 4.06Å; L150-F154 HydrophobicContact CG-CE1 4.27Å; L150-F154 HydrophobicContact CG-CG 4.4Å; S151-F154 VanDerWaalsContact O-CB 3.31Å; S151-F154 WeakPolarHBondContact O-CB 3.47Å; S151-F154 PolarHBondContact O-N 3.39Å; S151-F154 PolarHBondContact OG-N 3.31Å; P152-F154 PolarHBondContact O-N 2.94Å; F154-K156 PolarHBondContact O-N 3.16Å; F154-N157 PolarHBondContact O-N 2.99Å; F154-L158 HydrophobicContact CE1-CB 4.49Å; F154-L158 HydrophobicContact CE1-CD2 4.03Å; F154-L158 HydrophobicContact CZ-CD2 4.41Å; F154-L158 WeakPolarHBondContact O-CB 3.34Å; F154-L158 PolarHBondContact O-N 3.19Å; F154-M301 HydrophobicContact CZ-SD 4.15Å
155	W	95.7	Very high	94	Very high	57 Å²	57	77.4 Å²	77.4	22%	0.216	42%	0.421	C	S	.	.	H	α-helix	trans	-64.9	-38.8	-179.6	-71.9	105.7	0	0	0	113	L150 S151 P152 T153 N157 L158 R159 F298 E299 N302	L150-W155 HydrophobicContact CD1-CZ2 4.05Å; S151-W155 PolarHBondContact O-N 3.2Å; P152-W155 PolarHBondContact O-N 3.09Å; T153-W155 VanDerWaalsContact C-N 3.34Å; T153-W155 PolarHBondContact O-N 3.23Å; W155-N157 VanDerWaalsContact C-N 3.34Å; W155-N157 PolarHBondContact O-N 2.89Å; W155-L158 HydrophobicContact CE3-CD2 3.91Å; W155-L158 HydrophobicContact CZ3-CD2 3.74Å; W155-L158 PolarHBondContact O-N 2.69Å; W155-R159 WeakPolarHBondContact O-CB 3.35Å; W155-R159 PolarHBondContact O-N 2.93Å; W155-F298 HydrophobicContact CH2-CB 4.11Å; W155-F298 WeakPolarHBondContact CH2-O 3.11Å; W155-F298 HydrophobicContact CZ3-CB 4.06Å; W155-E299 HydrophobicContact CH2-CG 4.45Å; W155-N302 WeakPolarHBondContact CZ2-ND2 3.25Å; W155-N302 WeakPolarHBondContact CZ2-OD1 3.12Å; W155-N302 PolarHBondContact NE1-OD1 2.86Å
156	K	96.9	Very high	94	Very high	134 Å²	134	80.4 Å²	80.4	58%	0.583	42%	0.423	S	S	*	.	H	α-helix	trans	-61.5	-42	173.2	-174.4	177.6	-178.6	176.8	0	111.8	P152 T153 F154 K160	P152-K156 PolarHBondContact O-N 2.69Å; T153-K156 PolarHBondContact O-N 2.69Å; F154-K156 PolarHBondContact O-N 3.16Å; K156-K160 WeakPolarHBondContact O-CG 3.22Å; K156-K160 PolarHBondContact O-N 3.39Å
157	N	97	Very high	94.3	Very high	86 Å²	86	81.5 Å²	81.5	46%	0.46	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-44.2	178.4	-71.1	-12.6	0	0	0	111.6	T153 F154 W155 R159 K160 E161	T153-N157 WeakPolarHBondContact O-CB 3.43Å; T153-N157 VanDerWaalsContact O-CG 3.27Å; T153-N157 PolarHBondContact O-N 3.2Å; F154-N157 PolarHBondContact O-N 2.99Å; W155-N157 VanDerWaalsContact C-N 3.34Å; W155-N157 PolarHBondContact O-N 2.89Å; N157-R159 VanDerWaalsContact C-N 3.33Å; N157-R159 PolarHBondContact O-N 3.27Å; N157-K160 PolarHBondContact O-N 3.5Å; N157-K160 VanDerWaalsContact O-N 3.16Å; N157-E161 WeakPolarHBondContact O-CB 3.46Å; N157-E161 PolarHBondContact O-N 3.48Å
158	L	96.1	Very high	94.8	Very high	2 Å²	2	76.1 Å²	76.1	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-57.9	-45.3	175.2	178.5	63.6	0	0	0	111.1	F154 W155 K160 E161 V162 L248 L295 F298	F154-L158 HydrophobicContact CE1-CB 4.49Å; F154-L158 HydrophobicContact CE1-CD2 4.03Å; F154-L158 HydrophobicContact CZ-CD2 4.41Å; F154-L158 WeakPolarHBondContact O-CB 3.34Å; F154-L158 PolarHBondContact O-N 3.19Å; W155-L158 HydrophobicContact CE3-CD2 3.91Å; W155-L158 HydrophobicContact CZ3-CD2 3.74Å; W155-L158 PolarHBondContact O-N 2.69Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 3.45Å; L158-E161 PolarHBondContact O-N 3.41Å; L158-V162 HydrophobicContact CD1-CG2 3.9Å; L158-V162 HydrophobicContact CG-CG2 4.26Å; L158-V162 WeakPolarHBondContact O-CB 3.24Å; L158-V162 VanDerWaalsContact O-CG2 3.26Å; L158-V162 WeakPolarHBondContact O-CG2 3.26Å; L158-V162 PolarHBondContact O-N 3.07Å; L158-L248 HydrophobicContact CD1-CB 4.18Å; L158-L248 HydrophobicContact CD1-CD1 3.8Å; L158-L248 HydrophobicContact CD1-CD2 4.15Å; L158-L248 HydrophobicContact CD1-CG 4.27Å; L158-L295 HydrophobicContact CD2-CD2 3.79Å; L158-L295 HydrophobicContact CG-CD2 3.73Å; L158-F298 HydrophobicContact CD2-CB 3.83Å; L158-F298 HydrophobicContact CD2-CD1 4.32Å; L158-F298 HydrophobicContact CD2-CG 3.97Å
159	R	97	Very high	95.2	Very high	106 Å²	106	68.4 Å²	68.4	40%	0.4	36%	0.36	S	S	.	.	H	α-helix	trans	-56.5	-46	175.4	-179	-178.7	-68.8	-85.4	0.5	112.1	W155 N157 A163 V291 D292 L295	W155-R159 WeakPolarHBondContact O-CB 3.35Å; W155-R159 PolarHBondContact O-N 2.93Å; N157-R159 VanDerWaalsContact C-N 3.33Å; N157-R159 PolarHBondContact O-N 3.27Å; R159-A163 VanDerWaalsContact O-CB 3.3Å; R159-A163 WeakPolarHBondContact O-CB 3.32Å; R159-A163 PolarHBondContact O-N 2.83Å; R159-V291 HydrophobicContact CG-CG1 4.02Å; R159-D292 IonicContact CZ-OD1 2.66Å; R159-D292 IonicContact NH1-OD1 3.27Å; R159-D292 PolarHBondContact NH1-OD1 2.79Å; R159-D292 IonicContact NH2-OD1 2.97Å; R159-D292 PolarHBondContact NH2-OD1 2.86Å; R159-L295 HydrophobicContact CB-CD1 3.96Å; R159-L295 HydrophobicContact CG-CD1 4.15Å
160	K	96.3	Very high	95.7	Very high	133 Å²	133	62.8 Å²	62.8	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-45.6	177.6	-72.4	177.6	176.5	-171.7	0	112	K156 N157 L158 A163 S164	K156-K160 WeakPolarHBondContact O-CG 3.22Å; K156-K160 PolarHBondContact O-N 3.39Å; N157-K160 PolarHBondContact O-N 3.5Å; N157-K160 VanDerWaalsContact O-N 3.16Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 3.45Å; K160-A163 PolarHBondContact O-N 2.94Å; K160-S164 PolarHBondContact O-N 3.19Å; K160-S164 VanDerWaalsContact O-N 3.08Å
161	E	94.4	Very high	96	Very high	47 Å²	47	62 Å²	62	22%	0.22	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-41	178.9	-169.6	178.8	147.3	0	0	111.4	N157 L158 S164 R219 L248	N157-E161 WeakPolarHBondContact O-CB 3.46Å; N157-E161 PolarHBondContact O-N 3.48Å; L158-E161 PolarHBondContact O-N 3.41Å; E161-S164 PolarHBondContact O-N 3.46Å; E161-S164 PolarHBondContact O-OG 3.27Å; E161-R219 WeakPolarHBondContact OE1-CG 3.44Å; E161-R219 IonicContact OE1-CZ 3.69Å; E161-R219 IonicContact OE1-NE 3.15Å; E161-R219 PolarHBondContact OE1-NE 2.83Å; E161-R219 IonicContact OE1-NH2 3.24Å; E161-R219 IonicContact OE2-CZ 3.07Å; E161-R219 IonicContact OE2-NE 2.69Å; E161-R219 IonicContact OE2-NH2 3.61Å; E161-R219 PolarHBondContact OE2-NH2 2.76Å; E161-R219 VanDerWaalsContact OE2-NH2 3.07Å; E161-L248 WeakPolarHBondContact OE1-CD1 3.18Å
162	V	94.4	Very high	96	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-41	176.6	166.2	0	0	0	0	111.9	L158 S164 K165 K223 V291 Y294 L295	L158-V162 HydrophobicContact CD1-CG2 3.9Å; L158-V162 HydrophobicContact CG-CG2 4.26Å; L158-V162 WeakPolarHBondContact O-CB 3.24Å; L158-V162 VanDerWaalsContact O-CG2 3.26Å; L158-V162 WeakPolarHBondContact O-CG2 3.26Å; L158-V162 PolarHBondContact O-N 3.07Å; V162-S164 VanDerWaalsContact C-N 3.29Å; V162-S164 PolarHBondContact O-N 3.42Å; V162-K165 PolarHBondContact O-N 3.29Å; V162-K223 WeakPolarHBondContact O-CE 3.44Å; V162-V291 HydrophobicContact CG1-CG1 4.49Å; V162-Y294 HydrophobicContact CB-CD1 4.45Å; V162-Y294 HydrophobicContact CB-CE1 4.14Å; V162-Y294 HydrophobicContact CG1-CD1 3.37Å; V162-Y294 HydrophobicContact CG1-CE1 3.32Å; V162-Y294 HydrophobicContact CG1-CG 4.38Å; V162-Y294 HydrophobicContact CG2-CD1 4.26Å; V162-Y294 HydrophobicContact CG2-CE1 3.64Å; V162-L295 HydrophobicContact CG2-CD2 4.21Å
163	A	93.4	Very high	96	Very high	56 Å²	56	55.1 Å²	55.1	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-70.5	-23.1	179.3	0	0	0	0	0	113.2	R159 K160	R159-A163 VanDerWaalsContact O-CB 3.3Å; R159-A163 WeakPolarHBondContact O-CB 3.32Å; R159-A163 PolarHBondContact O-N 2.83Å; K160-A163 PolarHBondContact O-N 2.94Å
164	S	94.6	Very high	95.9	Very high	66 Å²	66	52.2 Å²	52.2	46%	0.462	25%	0.251	S	S	.	.	H	α-helix	trans	-80.1	-24.2	178.1	68.9	0	0	0	0	113.5	K160 E161 V162 K166	K160-S164 PolarHBondContact O-N 3.19Å; K160-S164 VanDerWaalsContact O-N 3.08Å; E161-S164 PolarHBondContact O-N 3.46Å; E161-S164 PolarHBondContact O-OG 3.27Å; V162-S164 VanDerWaalsContact C-N 3.29Å; V162-S164 PolarHBondContact O-N 3.42Å; S164-K166 WeakPolarHBondContact O-CD 3.32Å; S164-K166 WeakPolarHBondContact O-CE 2.95Å; S164-K166 WeakPolarHBondContact O-CG 3.35Å; S164-K166 PolarHBondContact O-N 2.94Å
165	K	95.9	Very high	95.8	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.035	25%	0.254	C	S	.	.			trans	-57	126.9	178	-70.3	163.3	-176.6	-114.9	0	111.3	V162 R219 Y222 K223 L248	V162-K165 PolarHBondContact O-N 3.29Å; K165-R219 WeakPolarHBondContact CE-O 3.46Å; K165-R219 PolarHBondContact NZ-O 2.79Å; K165-Y222 VanDerWaalsContact CD-O 3.23Å; K165-Y222 WeakPolarHBondContact CD-O 3.21Å; K165-Y222 PolarHBondContact NZ-O 3.01Å; K165-K223 HydrophobicContact CB-CG 4.02Å; K165-K223 HydrophobicContact CD-CG 4.04Å; K165-L248 PolarHBondContact NZ-O 3.39Å
166	K	94.5	Very high	95.8	Very high	178 Å²	178	52.7 Å²	52.7	77%	0.774	27%	0.265	S	S	*	.			trans	-104.1	-18.7	-176	-59.1	-55.6	-179.2	-173.3	0	114.4	S164 N221	S164-K166 WeakPolarHBondContact O-CD 3.32Å; S164-K166 WeakPolarHBondContact O-CE 2.95Å; S164-K166 WeakPolarHBondContact O-CG 3.35Å; S164-K166 PolarHBondContact O-N 2.94Å; K166-N221 PolarHBondContact N-O 2.82Å
167	K	97.1	Very high	95.8	Very high	73 Å²	73	54.2 Å²	54.2	32%	0.317	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	153.2	-178.9	-59.9	-173.3	168.2	-157.4	0	110.4	D196 N221 Y222 K223	K167-D196 WeakPolarHBondContact CD-OD2 3.21Å; K167-D196 IonicContact NZ-OD2 3.91Å; K167-D196 PolarHBondContact NZ-OD2 3.25Å; K167-N221 CarbonylContact C-O 3.55Å; K167-N221 WeakPolarHBondContact CA-O 3.21Å; K167-N221 HydrophobicContact CB-CB 4.48Å; K167-N221 WeakPolarHBondContact CB-O 3.4Å; K167-N221 HydrophobicContact CD-CB 4.2Å; K167-N221 HydrophobicContact CG-CB 4.36Å; K167-N221 PolarHBondContact N-O 3.04Å; K167-N221 VanDerWaalsContact O-O 3.1Å; K167-Y222 HydrophobicContact CB-CD1 3.46Å; K167-Y222 VanDerWaalsContact CB-CD1 3.46Å; K167-Y222 HydrophobicContact CB-CE1 3.46Å; K167-Y222 VanDerWaalsContact CB-CE1 3.46Å; K167-Y222 HydrophobicContact CB-CG 4.07Å; K167-Y222 HydrophobicContact CD-CD1 4.3Å; K167-Y222 HydrophobicContact CD-CE1 3.52Å; K167-Y222 HydrophobicContact CD-CE2 3.99Å; K167-Y222 VanDerWaalsContact CD-OH 3.32Å; K167-Y222 WeakPolarHBondContact CD-OH 3.35Å; K167-Y222 HydrophobicContact CG-CE1 4.17Å; K167-Y222 PolarHBondContact NZ-OH 3.18Å; K167-Y222 WeakPolarHBondContact O-CA 3.31Å; K167-K223 PolarHBondContact O-N 2.6Å
168	L	97.8	Very high	95.8	Very high	20 Å²	20	50.4 Å²	50.4	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-60.5	-170.3	-163.7	57	0	0	0	112	V193 K223 F224 K285 D288	L168-V193 HydrophobicContact CD2-CG2 3.23Å; L168-V193 HydrophobicContact CG-CG2 4.24Å; L168-K223 PolarHBondContact O-N 3.14Å; L168-F224 HydrophobicContact CD1-CD2 3.69Å; L168-F224 HydrophobicContact CD1-CE2 3.56Å; L168-F224 HydrophobicContact CG-CD2 4.1Å; L168-F224 HydrophobicContact CG-CE2 4.37Å; L168-F224 WeakPolarHBondContact O-CD2 3.37Å; L168-F224 PolarHBondContact O-N 2.97Å; L168-K285 HydrophobicContact CD2-CG 4.5Å; L168-D288 HydrophobicContact CD1-CB 3.7Å
169	I	98.6	Very high	95.9	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.8	-170.6	-45.6	-179.3	0	0	0	111.2	V193 V195 D196 Y222 F224 I226 I252 L284	I169-V193 HydrophobicContact CD1-CB 4.42Å; I169-V193 HydrophobicContact CD1-CG1 3.67Å; I169-V193 HydrophobicContact CD1-CG2 3.83Å; I169-V193 HydrophobicContact CG1-CG2 4.49Å; I169-V195 HydrophobicContact CB-CB 4.47Å; I169-V195 HydrophobicContact CB-CG1 4.4Å; I169-V195 HydrophobicContact CB-CG2 4.13Å; I169-V195 HydrophobicContact CD1-CG2 4.06Å; I169-V195 HydrophobicContact CG2-CG1 4.08Å; I169-V195 HydrophobicContact CG2-CG2 4.21Å; I169-D196 PolarHBondContact O-N 3.45Å; I169-Y222 WeakPolarHBondContact O-CE1 3.41Å; I169-F224 WeakPolarHBondContact CA-O 3.36Å; I169-F224 HydrophobicContact CG1-CB 4.22Å; I169-F224 HydrophobicContact CG1-CD2 4.46Å; I169-F224 HydrophobicContact CG2-CB 4.47Å; I169-I226 HydrophobicContact CG2-CD1 3.71Å; I169-I226 HydrophobicContact CG2-CG1 3.56Å; I169-I252 HydrophobicContact CD1-CD1 4.34Å; I169-I252 HydrophobicContact CG2-CD1 4.19Å; I169-L284 HydrophobicContact CD1-CD1 3.55Å; I169-L284 HydrophobicContact CG1-CD1 4.48Å
170	A	97.6	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	144.8	167.6	0	0	0	0	0	111.2	F172 Y222 F224 Y225 I226	A170-F172 HydrophobicContact CB-CD2 4.47Å; A170-F172 HydrophobicContact CB-CE2 4.12Å; A170-Y222 HydrophobicContact CB-CD1 3.65Å; A170-Y222 HydrophobicContact CB-CD2 3.86Å; A170-Y222 HydrophobicContact CB-CE1 3.86Å; A170-Y222 HydrophobicContact CB-CE2 4.05Å; A170-Y222 HydrophobicContact CB-CG 3.63Å; A170-F224 PolarHBondContact N-O 2.03Å; A170-Y225 HydrophobicContact CB-CD2 4.31Å; A170-Y225 WeakPolarHBondContact O-CA 3.32Å; A170-I226 PolarHBondContact O-N 2.75Å
171	W	97.6	Very high	96.1	Very high	13 Å²	13	40.7 Å²	40.7	5%	0.049	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.3	172.6	-177.2	37.8	0	0	0	111.8	V173 R182 E183 V186 V195 D196 V197 Y198 I226	W171-V173 HydrophobicContact CD2-CB 4.19Å; W171-V173 HydrophobicContact CD2-CG1 3.73Å; W171-V173 HydrophobicContact CE3-CG1 3.79Å; W171-V173 HydrophobicContact CG-CG1 4.43Å; W171-V173 HydrophobicContact CH2-CB 4.3Å; W171-V173 HydrophobicContact CH2-CG1 3.83Å; W171-V173 HydrophobicContact CH2-CG2 4.22Å; W171-V173 HydrophobicContact CZ2-CB 3.76Å; W171-V173 HydrophobicContact CZ2-CG1 3.75Å; W171-V173 HydrophobicContact CZ2-CG2 3.73Å; W171-V173 HydrophobicContact CZ3-CG1 3.86Å; W171-R182 HydrophobicContact CZ2-CG 4.01Å; W171-E183 HydrophobicContact CH2-CB 4.2Å; W171-E183 HydrophobicContact CH2-CG 3.93Å; W171-E183 HydrophobicContact CZ2-CG 4.48Å; W171-V186 HydrophobicContact CD2-CG1 4.24Å; W171-V186 HydrophobicContact CD2-CG2 4.02Å; W171-V186 HydrophobicContact CE3-CB 3.99Å; W171-V186 HydrophobicContact CE3-CG1 3.51Å; W171-V186 HydrophobicContact CE3-CG2 3.96Å; W171-V186 HydrophobicContact CH2-CB 4.08Å; W171-V186 HydrophobicContact CH2-CG1 4.46Å; W171-V186 HydrophobicContact CH2-CG2 3.97Å; W171-V186 HydrophobicContact CZ2-CG2 4.04Å; W171-V186 HydrophobicContact CZ3-CB 3.72Å; W171-V186 HydrophobicContact CZ3-CG1 3.64Å; W171-V186 HydrophobicContact CZ3-CG2 3.93Å; W171-V195 HydrophobicContact CB-CG1 3.93Å; W171-D196 PolarHBondContact N-O 2.86Å; W171-V197 HydrophobicContact CD2-CG1 4.43Å; W171-V197 HydrophobicContact CE3-CB 4.37Å; W171-V197 HydrophobicContact CE3-CG1 3.66Å; W171-V197 HydrophobicContact CE3-CG2 3.84Å; W171-V197 HydrophobicContact CZ3-CG1 4.1Å; W171-V197 HydrophobicContact CZ3-CG2 4.44Å; W171-V197 CarbonylContact O-C 3.37Å; W171-V197 WeakPolarHBondContact O-CA 3.39Å; W171-Y198 PolarHBondContact O-N 3.36Å; W171-I226 HydrophobicContact CB-CB 3.95Å; W171-I226 HydrophobicContact CB-CD1 4.2Å; W171-I226 HydrophobicContact CB-CG1 4.48Å; W171-I226 VanDerWaalsContact CD1-CG2 3.43Å; W171-I226 HydrophobicContact CG-CB 3.87Å; W171-I226 HydrophobicContact CG-CD1 4.41Å; W171-I226 HydrophobicContact CG-CG2 3.94Å
172	F	94.9	Very high	96.3	Very high	25 Å²	25	38.8 Å²	38.8	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116	-178.1	-76.6	-124.4	0	0	0	110	A170 Y198 C206 F214 V218 Y225	A170-F172 HydrophobicContact CB-CD2 4.47Å; A170-F172 HydrophobicContact CB-CE2 4.12Å; F172-Y198 WeakPolarHBondContact CA-O 3.32Å; F172-Y198 HydrophobicContact CD1-CG 4.49Å; F172-Y198 HydrophobicContact CD2-CD2 4.05Å; F172-Y198 HydrophobicContact CD2-CG 4.16Å; F172-Y198 HydrophobicContact CE1-CD1 4.38Å; F172-Y198 HydrophobicContact CE1-CG 4.12Å; F172-Y198 HydrophobicContact CE2-CD1 4.42Å; F172-Y198 AromaticContact CE2-CD2 3.54Å; F172-Y198 HydrophobicContact CE2-CD2 3.54Å; F172-Y198 HydrophobicContact CE2-CE2 4.17Å; F172-Y198 AromaticContact CE2-CG 3.7Å; F172-Y198 HydrophobicContact CE2-CG 3.7Å; F172-Y198 AromaticContact CZ-CD1 3.99Å; F172-Y198 HydrophobicContact CZ-CD1 3.99Å; F172-Y198 AromaticContact CZ-CD2 3.96Å; F172-Y198 HydrophobicContact CZ-CD2 3.96Å; F172-Y198 AromaticContact CZ-CG 3.69Å; F172-Y198 HydrophobicContact CZ-CG 3.69Å; F172-C206 HydrophobicContact CD1-CB 4.4Å; F172-C206 HydrophobicContact CE1-CB 3.52Å; F172-C206 WeakPolarHBondContact CE1-SG 3.48Å; F172-C206 HydrophobicContact CZ-CB 4.1Å; F172-F214 HydrophobicContact CD1-CD1 4.36Å; F172-F214 AromaticContact CD1-CE1 3.43Å; F172-F214 HydrophobicContact CD1-CE1 3.43Å; F172-F214 VanDerWaalsContact CD1-CE1 3.43Å; F172-F214 AromaticContact CD1-CZ 3.8Å; F172-F214 HydrophobicContact CD1-CZ 3.8Å; F172-F214 AromaticContact CE1-CD1 3.96Å; F172-F214 HydrophobicContact CE1-CD1 3.96Å; F172-F214 AromaticContact CE1-CE1 3.43Å; F172-F214 HydrophobicContact CE1-CE1 3.43Å; F172-F214 VanDerWaalsContact CE1-CE1 3.43Å; F172-F214 AromaticContact CE1-CZ 3.9Å; F172-F214 HydrophobicContact CE1-CZ 3.9Å; F172-F214 HydrophobicContact CG-CE1 4.11Å; F172-F214 HydrophobicContact CZ-CD1 4.32Å; F172-F214 HydrophobicContact CZ-CE1 4.15Å; F172-V218 HydrophobicContact CD2-CG2 4.43Å; F172-V218 HydrophobicContact CE1-CG2 4.49Å; F172-V218 HydrophobicContact CE2-CG2 3.46Å; F172-V218 VanDerWaalsContact CE2-CG2 3.46Å; F172-V218 HydrophobicContact CZ-CG2 3.5Å; F172-V218 VanDerWaalsContact CZ-CG2 3.5Å; F172-Y225 HydrophobicContact CB-CE2 4.23Å; F172-Y225 HydrophobicContact CD2-CD2 4.43Å; F172-Y225 AromaticContact CD2-CE2 3.63Å; F172-Y225 HydrophobicContact CD2-CE2 3.63Å; F172-Y225 HydrophobicContact CE2-CE2 4.33Å; F172-Y225 HydrophobicContact CG-CE2 4.14Å
173	V	95.1	Very high	96.4	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	136.8	-170.6	58.1	0	0	0	0	111.9	W171 N175 V197 Y198 G199 Q200 C201	W171-V173 HydrophobicContact CD2-CB 4.19Å; W171-V173 HydrophobicContact CD2-CG1 3.73Å; W171-V173 HydrophobicContact CE3-CG1 3.79Å; W171-V173 HydrophobicContact CG-CG1 4.43Å; W171-V173 HydrophobicContact CH2-CB 4.3Å; W171-V173 HydrophobicContact CH2-CG1 3.83Å; W171-V173 HydrophobicContact CH2-CG2 4.22Å; W171-V173 HydrophobicContact CZ2-CB 3.76Å; W171-V173 HydrophobicContact CZ2-CG1 3.75Å; W171-V173 HydrophobicContact CZ2-CG2 3.73Å; W171-V173 HydrophobicContact CZ3-CG1 3.86Å; V173-N175 WeakPolarHBondContact CG2-O 3.25Å; V173-V197 HydrophobicContact CG1-CG1 3.59Å; V173-Y198 PolarHBondContact N-O 3.01Å; V173-G199 CarbonylContact O-C 3.51Å; V173-G199 WeakPolarHBondContact O-CA 3.26Å; V173-Q200 PolarHBondContact O-N 3.48Å; V173-Q200 VanDerWaalsContact O-N 3.11Å; V173-C201 HydrophobicContact CG1-CB 3.81Å; V173-C201 HydrophobicContact CG2-CB 4.49Å
174	S	92.8	Very high	96.7	Very high	26 Å²	26	42 Å²	42	18%	0.182	21%	0.214	C	C	.	.	S	Bend	trans	-125.2	-25.6	174.4	-38.6	0	0	0	0	113.5	C176 Q200 R208	S174-C176 PolarHBondContact O-N 3.15Å; S174-Q200 PolarHBondContact O-OE1 3.49Å; S174-R208 PolarHBondContact OG-NH2 3.09Å
175	N	93.8	Very high	96.9	Very high	60 Å²	60	39.2 Å²	39.2	32%	0.321	19%	0.193	S	C	.	.			trans	-85.2	110	166.8	179.7	4.8	0	0	0	108.3	V173 Q177 R182 E183	V173-N175 WeakPolarHBondContact CG2-O 3.25Å; N175-Q177 PolarHBondContact ND2-O 2.66Å; N175-Q177 PolarHBondContact OD1-N 3.18Å; N175-Q177 VanDerWaalsContact OD1-N 3.09Å; N175-Q177 PolarHBondContact OD1-O 3.07Å; N175-R182 PolarHBondContact O-NH2 3.48Å; N175-E183 VanDerWaalsContact O-OE1 3.07Å
176	C	96.3	Very high	97	Very high	67 Å²	67	38.9 Å²	38.9	45%	0.453	19%	0.192	S	C	.	.	S	Bend	trans	-92.1	3.5	-174.6	-44.1	0	0	0	0	113.7	S174 E183 C201	S174-C176 PolarHBondContact O-N 3.15Å; C176-E183 WeakPolarHBondContact O-CG 3.3Å; C176-C201 WeakPolarHBondContact CA-SG 3.39Å; C176-C201 HydrophobicContact CB-CB 3.8Å; C176-C201 WeakPolarHBondContact CB-SG 3.28Å; C176-C201 PolarHBondContact N-SG 2.99Å; C176-C201 WeakPolarHBondContact SG-CA 3.43Å; C176-C201 WeakPolarHBondContact SG-CB 3.47Å; C176-C201 CovalentContact SG-SG 2.03Å; C176-C201 PolarHBondContact SG-SG 3.25Å
177	Q	96.6	Very high	97.2	Very high	166 Å²	166	36.9 Å²	36.9	78%	0.776	18%	0.183	S	C	*	.	S	Bend	trans	-145.9	92.8	172.7	-173.5	175.7	2.1	0	0	108.4	N175	N175-Q177 PolarHBondContact ND2-O 2.66Å; N175-Q177 PolarHBondContact OD1-N 3.18Å; N175-Q177 VanDerWaalsContact OD1-N 3.09Å; N175-Q177 PolarHBondContact OD1-O 3.07Å
178	S	97.8	Very high	97.2	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	18%	0.178	C	C	.	.			trans	-94	152.3	-179.7	80.5	0	0	0	0	112.2	S180 A181 R182 E183 N230	S178-S180 PolarHBondContact O-N 2.7Å; S178-S180 PolarHBondContact OG-N 3.5Å; S178-S180 PolarHBondContact OG-OG 3.16Å; S178-A181 PolarHBondContact O-N 2.82Å; S178-A181 PolarHBondContact OG-N 3.12Å; S178-A181 VanDerWaalsContact OG-N 3.13Å; S178-R182 PolarHBondContact OG-N 2.67Å; S178-E183 WeakPolarHBondContact CB-OE1 3.31Å; S178-E183 PolarHBondContact N-OE1 2.97Å; S178-E183 PolarHBondContact N-OE2 3.17Å; S178-E183 PolarHBondContact OG-OE1 3.3Å; S178-E183 PolarHBondContact OG-OE2 2.81Å; S178-N230 WeakPolarHBondContact CB-O 3.49Å
179	P	97.8	Very high	97.3	Very high	31 Å²	31	34.7 Å²	34.7	20%	0.201	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.6	166.7	-28.2	34.4	0	0	0	113.5	Y109 A181 N230 Q355	Y109-P179 HydrophobicContact CD1-CB 4.16Å; Y109-P179 HydrophobicContact CD2-CB 3.5Å; Y109-P179 HydrophobicContact CD2-CG 4.08Å; Y109-P179 HydrophobicContact CE2-CB 3.91Å; Y109-P179 HydrophobicContact CG-CB 3.65Å; Y109-P179 HydrophobicContact CG-CG 3.88Å; P179-A181 VanDerWaalsContact C-N 3.25Å; P179-A181 PolarHBondContact O-N 3.4Å; P179-N230 VanDerWaalsContact CD-O 3.31Å; P179-N230 WeakPolarHBondContact CD-O 3.42Å; P179-Q355 PolarHBondContact O-N 3.25Å; P179-Q355 PolarHBondContact O-NE2 2.76Å
180	S	98.2	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.1	176.1	62.1	0	0	0	0	114.4	S178 R182 E229 N230 Q355 Y356 G357	S178-S180 PolarHBondContact O-N 2.7Å; S178-S180 PolarHBondContact OG-N 3.5Å; S178-S180 PolarHBondContact OG-OG 3.16Å; S180-R182 PolarHBondContact O-N 3.5Å; S180-E229 PolarHBondContact OG-O 3.04Å; S180-N230 WeakPolarHBondContact CB-O 3.44Å; S180-N230 PolarHBondContact N-O 3.29Å; S180-N230 VanDerWaalsContact OG-C 3.24Å; S180-N230 PolarHBondContact OG-O 3.27Å; S180-N230 VanDerWaalsContact OG-O 3.05Å; S180-Q355 CarbonylContact O-C 3.37Å; S180-Y356 PolarHBondContact O-N 2.83Å; S180-G357 WeakPolarHBondContact O-CA 3.38Å; S180-G357 PolarHBondContact O-N 2.95Å
181	A	98.2	Very high	97.3	Very high	7 Å²	7	45.2 Å²	45.2	6%	0.058	22%	0.22	C	C	.	.			trans	53.3	36.9	-170.8	0	0	0	0	0	113.3	S178 P179 E183 F184 Y185 Q355 K358	S178-A181 PolarHBondContact O-N 2.82Å; S178-A181 PolarHBondContact OG-N 3.12Å; S178-A181 VanDerWaalsContact OG-N 3.13Å; P179-A181 VanDerWaalsContact C-N 3.25Å; P179-A181 PolarHBondContact O-N 3.4Å; A181-E183 PolarHBondContact O-N 2.91Å; A181-F184 HydrophobicContact CB-CB 4.41Å; A181-F184 WeakPolarHBondContact O-CB 3.32Å; A181-F184 PolarHBondContact O-N 3.3Å; A181-F184 VanDerWaalsContact O-N 3.13Å; A181-Y185 PolarHBondContact O-N 2.82Å; A181-Q355 HydrophobicContact CB-CB 4.47Å; A181-K358 HydrophobicContact CB-CD 4.43Å; A181-K358 HydrophobicContact CB-CG 3.92Å
182	R	98.2	Very high	97.4	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-30.1	-179.7	66.7	-174.8	172.9	179.1	-3.2	112.7	W171 N175 S178 S180 F184 Y185 V186 F228 F254	W171-R182 HydrophobicContact CZ2-CG 4.01Å; N175-R182 PolarHBondContact O-NH2 3.48Å; S178-R182 PolarHBondContact OG-N 2.67Å; S180-R182 PolarHBondContact O-N 3.5Å; R182-F184 VanDerWaalsContact C-N 3.28Å; R182-F184 PolarHBondContact O-N 2.82Å; R182-Y185 PolarHBondContact O-N 3.07Å; R182-V186 WeakPolarHBondContact O-CG2 3.49Å; R182-V186 PolarHBondContact O-N 3.17Å; R182-F228 HydrophobicContact CB-CB 3.86Å; R182-F228 HydrophobicContact CB-CD2 4.28Å; R182-F228 HydrophobicContact CB-CG 4.48Å; R182-F228 WeakPolarHBondContact CD-O 3.31Å; R182-F228 PolarHBondContact NH1-O 2.62Å; R182-F254 HydrophobicContact CB-CE2 3.64Å; R182-F254 HydrophobicContact CB-CZ 3.87Å
183	E	98.2	Very high	97.6	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.159	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-37.1	178.7	-54.9	71.6	-156.3	0	0	110.8	W171 N175 C176 S178 A181 K187	W171-E183 HydrophobicContact CH2-CB 4.2Å; W171-E183 HydrophobicContact CH2-CG 3.93Å; W171-E183 HydrophobicContact CZ2-CG 4.48Å; N175-E183 VanDerWaalsContact O-OE1 3.07Å; C176-E183 WeakPolarHBondContact O-CG 3.3Å; S178-E183 WeakPolarHBondContact CB-OE1 3.31Å; S178-E183 PolarHBondContact N-OE1 2.97Å; S178-E183 PolarHBondContact N-OE2 3.17Å; S178-E183 PolarHBondContact OG-OE1 3.3Å; S178-E183 PolarHBondContact OG-OE2 2.81Å; A181-E183 PolarHBondContact O-N 2.91Å; E183-K187 WeakPolarHBondContact O-CB 3.3Å; E183-K187 PolarHBondContact O-N 3.06Å
184	F	98.2	Very high	97.7	Very high	88 Å²	88	50.6 Å²	50.6	39%	0.386	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-46.9	174.1	-179.6	-87.2	0	0	0	111.2	A181 R182 K187 Q188 K358	A181-F184 HydrophobicContact CB-CB 4.41Å; A181-F184 WeakPolarHBondContact O-CB 3.32Å; A181-F184 PolarHBondContact O-N 3.3Å; A181-F184 VanDerWaalsContact O-N 3.13Å; R182-F184 VanDerWaalsContact C-N 3.28Å; R182-F184 PolarHBondContact O-N 2.82Å; F184-K187 PolarHBondContact O-N 2.6Å; F184-Q188 HydrophobicContact CD1-CG 4.25Å; F184-Q188 HydrophobicContact CE1-CG 3.85Å; F184-Q188 HydrophobicContact CZ-CG 4.27Å; F184-Q188 WeakPolarHBondContact O-CG 3.49Å; F184-Q188 PolarHBondContact O-N 3.37Å; F184-Q188 VanDerWaalsContact O-N 3.11Å; F184-K358 HydrophobicContact CB-CG 4.17Å; F184-K358 HydrophobicContact CD1-CB 4.23Å; F184-K358 HydrophobicContact CD1-CG 3.78Å; F184-K358 HydrophobicContact CD2-CG 4.35Å; F184-K358 HydrophobicContact CE1-CB 4.4Å; F184-K358 HydrophobicContact CE1-CG 4.23Å; F184-K358 HydrophobicContact CG-CG 3.84Å
185	Y	98.7	Very high	98	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-47.3	179.1	-168	-86.8	0	0	0	111.5	A181 R182 K187 Q188 L189 F228 F254 A271 P277 L280 G357 V360	A181-Y185 PolarHBondContact O-N 2.82Å; R182-Y185 PolarHBondContact O-N 3.07Å; Y185-K187 VanDerWaalsContact C-N 3.3Å; Y185-K187 PolarHBondContact O-N 3.35Å; Y185-Q188 PolarHBondContact O-N 3.03Å; Y185-Q188 VanDerWaalsContact O-N 3.07Å; Y185-L189 PolarHBondContact O-N 2.91Å; Y185-F228 AromaticContact CD1-CE2 3.57Å; Y185-F228 HydrophobicContact CD1-CE2 3.57Å; Y185-F228 AromaticContact CD1-CZ 3.79Å; Y185-F228 HydrophobicContact CD1-CZ 3.79Å; Y185-F228 HydrophobicContact CE1-CE2 4.12Å; Y185-F228 AromaticContact CE1-CZ 3.87Å; Y185-F228 HydrophobicContact CE1-CZ 3.87Å; Y185-F228 HydrophobicContact CG-CE2 4.45Å; Y185-F254 HydrophobicContact CD1-CE1 4.25Å; Y185-F254 HydrophobicContact CD2-CE1 4.11Å; Y185-F254 AromaticContact CG-CE1 3.86Å; Y185-F254 HydrophobicContact CG-CE1 3.86Å; Y185-F254 HydrophobicContact CG-CZ 4.36Å; Y185-A271 HydrophobicContact CE1-CB 4.17Å; Y185-P277 HydrophobicContact CD2-CG 4.29Å; Y185-P277 HydrophobicContact CE2-CG 3.8Å; Y185-L280 HydrophobicContact CE1-CD2 3.96Å; Y185-G357 WeakPolarHBondContact CB-O 3.29Å; Y185-G357 WeakPolarHBondContact CD2-O 3.28Å; Y185-V360 HydrophobicContact CD2-CG2 3.49Å; Y185-V360 VanDerWaalsContact CD2-CG2 3.49Å; Y185-V360 HydrophobicContact CE2-CB 4.14Å; Y185-V360 HydrophobicContact CE2-CG2 3.5Å; Y185-V360 VanDerWaalsContact CE2-CG2 3.5Å
186	V	98.6	Very high	98.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-38.7	178.9	179.2	0	0	0	0	111.3	W171 R182 Q188 L189 Q190 V195 I226 F228	W171-V186 HydrophobicContact CD2-CG1 4.24Å; W171-V186 HydrophobicContact CD2-CG2 4.02Å; W171-V186 HydrophobicContact CE3-CB 3.99Å; W171-V186 HydrophobicContact CE3-CG1 3.51Å; W171-V186 HydrophobicContact CE3-CG2 3.96Å; W171-V186 HydrophobicContact CH2-CB 4.08Å; W171-V186 HydrophobicContact CH2-CG1 4.46Å; W171-V186 HydrophobicContact CH2-CG2 3.97Å; W171-V186 HydrophobicContact CZ2-CG2 4.04Å; W171-V186 HydrophobicContact CZ3-CB 3.72Å; W171-V186 HydrophobicContact CZ3-CG1 3.64Å; W171-V186 HydrophobicContact CZ3-CG2 3.93Å; R182-V186 WeakPolarHBondContact O-CG2 3.49Å; R182-V186 PolarHBondContact O-N 3.17Å; V186-Q188 VanDerWaalsContact C-N 3.3Å; V186-Q188 PolarHBondContact O-N 3.12Å; V186-L189 WeakPolarHBondContact O-CB 3.06Å; V186-L189 PolarHBondContact O-N 2.95Å; V186-L189 VanDerWaalsContact O-N 3.16Å; V186-Q190 HydrophobicContact CG1-CG 4.25Å; V186-Q190 WeakPolarHBondContact O-CB 3.47Å; V186-Q190 WeakPolarHBondContact O-CG 3.28Å; V186-Q190 PolarHBondContact O-N 2.94Å; V186-V195 HydrophobicContact CG1-CG1 4.11Å; V186-I226 HydrophobicContact CG1-CD1 4.22Å; V186-I226 HydrophobicContact CG2-CD1 3.97Å; V186-I226 HydrophobicContact CG2-CG2 4.25Å; V186-F228 HydrophobicContact CG2-CD2 3.76Å; V186-F228 HydrophobicContact CG2-CE2 3.76Å
187	K	98.4	Very high	98.2	Very high	137 Å²	137	45.9 Å²	45.9	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-61	-37.4	174	-174.3	176.5	-178.8	177.2	0	112.5	E183 F184 Y185	E183-K187 WeakPolarHBondContact O-CB 3.3Å; E183-K187 PolarHBondContact O-N 3.06Å; F184-K187 PolarHBondContact O-N 2.6Å; Y185-K187 VanDerWaalsContact C-N 3.3Å; Y185-K187 PolarHBondContact O-N 3.35Å
188	Q	98.6	Very high	98.2	Very high	46 Å²	46	38.8 Å²	38.8	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-69.8	-41.4	173.3	-58.7	-46.9	-51.6	0	0	111.6	F184 Y185 V186 Q190 K191 H192 P277	F184-Q188 HydrophobicContact CD1-CG 4.25Å; F184-Q188 HydrophobicContact CE1-CG 3.85Å; F184-Q188 HydrophobicContact CZ-CG 4.27Å; F184-Q188 WeakPolarHBondContact O-CG 3.49Å; F184-Q188 PolarHBondContact O-N 3.37Å; F184-Q188 VanDerWaalsContact O-N 3.11Å; Y185-Q188 PolarHBondContact O-N 3.03Å; Y185-Q188 VanDerWaalsContact O-N 3.07Å; V186-Q188 VanDerWaalsContact C-N 3.3Å; V186-Q188 PolarHBondContact O-N 3.12Å; Q188-Q190 VanDerWaalsContact C-N 3.33Å; Q188-Q190 PolarHBondContact O-N 3.48Å; Q188-K191 WeakPolarHBondContact O-CB 3.32Å; Q188-K191 PolarHBondContact O-N 3.42Å; Q188-H192 PolarHBondContact O-CD2 3.14Å; Q188-P277 HydrophobicContact CB-CB 4.08Å; Q188-P277 HydrophobicContact CB-CG 3.78Å
189	L	98.8	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-41.4	178	-175.6	62.7	0	0	0	111.9	Y185 V186 K191 H192 V193 V195 I226 P277 L280 A281	Y185-L189 PolarHBondContact O-N 2.91Å; V186-L189 WeakPolarHBondContact O-CB 3.06Å; V186-L189 PolarHBondContact O-N 2.95Å; V186-L189 VanDerWaalsContact O-N 3.16Å; L189-K191 PolarHBondContact O-N 3.35Å; L189-K191 VanDerWaalsContact O-N 3.1Å; L189-H192 PolarHBondContact O-N 3.4Å; L189-V193 HydrophobicContact CD1-CG1 3.64Å; L189-V193 HydrophobicContact CD2-CG1 4.44Å; L189-V193 HydrophobicContact CG-CG1 3.67Å; L189-V193 PolarHBondContact O-N 3.16Å; L189-V193 VanDerWaalsContact O-N 3.14Å; L189-V195 HydrophobicContact CD2-CG2 4.39Å; L189-V195 HydrophobicContact CG-CG2 4.49Å; L189-I226 HydrophobicContact CD2-CD1 4.04Å; L189-P277 HydrophobicContact CB-CB 4.31Å; L189-P277 HydrophobicContact CD1-CB 4.37Å; L189-P277 VanDerWaalsContact CD1-O 3.25Å; L189-P277 WeakPolarHBondContact CD1-O 3.47Å; L189-L280 HydrophobicContact CD1-CB 4.5Å; L189-L280 HydrophobicContact CD1-CD2 4.15Å; L189-L280 HydrophobicContact CD1-CG 4.25Å; L189-L280 HydrophobicContact CD2-CD2 4.33Å; L189-A281 HydrophobicContact CD1-CB 3.97Å
190	Q	98.6	Very high	97.8	Very high	84 Å²	84	45.2 Å²	45.2	39%	0.393	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	178.2	-82.2	179.4	-43.7	0	0	114.2	V186 Q188 H192 V193 V195	V186-Q190 HydrophobicContact CG1-CG 4.25Å; V186-Q190 WeakPolarHBondContact O-CB 3.47Å; V186-Q190 WeakPolarHBondContact O-CG 3.28Å; V186-Q190 PolarHBondContact O-N 2.94Å; Q188-Q190 VanDerWaalsContact C-N 3.33Å; Q188-Q190 PolarHBondContact O-N 3.48Å; Q190-H192 PolarHBondContact O-N 2.75Å; Q190-V193 WeakPolarHBondContact CA-O 3.35Å; Q190-V195 HydrophobicContact CG-CB 3.7Å; Q190-V195 HydrophobicContact CG-CG2 3.83Å; Q190-V195 PolarHBondContact NE2-O 3.24Å; Q190-V195 VanDerWaalsContact NE2-O 3.15Å
191	K	98.7	Very high	97.7	Very high	139 Å²	139	47.2 Å²	47.2	60%	0.604	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.2	173.1	-61.4	176.3	176.1	178.2	0	112.9	Q188 L189	Q188-K191 WeakPolarHBondContact O-CB 3.32Å; Q188-K191 PolarHBondContact O-N 3.42Å; L189-K191 PolarHBondContact O-N 3.35Å; L189-K191 VanDerWaalsContact O-N 3.1Å
192	H	98.7	Very high	97.5	Very high	66 Å²	66	47.5 Å²	47.5	31%	0.306	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-22.6	-171.1	-55.9	-61.3	0	0	0	113	Q188 L189 Q190 A281 K285	Q188-H192 PolarHBondContact O-CD2 3.14Å; L189-H192 PolarHBondContact O-N 3.4Å; Q190-H192 PolarHBondContact O-N 2.75Å; H192-A281 HydrophobicContact CB-CB 3.47Å; H192-A281 VanDerWaalsContact CB-CB 3.47Å; H192-K285 WeakPolarHBondContact O-CE 3.3Å; H192-K285 PolarHBondContact O-NZ 3.2Å
193	V	98.6	Very high	97.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	27%	0.269	C	S	.	.	S	Bend	trans	-151.6	140.3	-176.5	63.9	0	0	0	0	110.5	L168 I169 L189 Q190 V195 A281	L168-V193 HydrophobicContact CD2-CG2 3.23Å; L168-V193 HydrophobicContact CG-CG2 4.24Å; I169-V193 HydrophobicContact CD1-CB 4.42Å; I169-V193 HydrophobicContact CD1-CG1 3.67Å; I169-V193 HydrophobicContact CD1-CG2 3.83Å; I169-V193 HydrophobicContact CG1-CG2 4.49Å; L189-V193 HydrophobicContact CD1-CG1 3.64Å; L189-V193 HydrophobicContact CD2-CG1 4.44Å; L189-V193 HydrophobicContact CG-CG1 3.67Å; L189-V193 PolarHBondContact O-N 3.16Å; L189-V193 VanDerWaalsContact O-N 3.14Å; Q190-V193 WeakPolarHBondContact CA-O 3.35Å; V193-V195 HydrophobicContact CG1-CG2 4.5Å; V193-V195 PolarHBondContact O-N 3.14Å; V193-A281 HydrophobicContact CB-CB 3.8Å; V193-A281 HydrophobicContact CG1-CB 3.7Å
194	P	98.1	Very high	97.2	Very high	87 Å²	87	54.2 Å²	54.2	57%	0.565	28%	0.277	S	S	*	.			trans	-64.6	133.3	178	25.9	-34.8	0	0	0	111.5
195	V	98.7	Very high	96.8	Very high	11 Å²	11	56.7 Å²	56.7	7%	0.067	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.5	174.4	-177.4	0	0	0	0	108.4	I169 W171 V186 L189 Q190 V193 V197 I226	I169-V195 HydrophobicContact CB-CB 4.47Å; I169-V195 HydrophobicContact CB-CG1 4.4Å; I169-V195 HydrophobicContact CB-CG2 4.13Å; I169-V195 HydrophobicContact CD1-CG2 4.06Å; I169-V195 HydrophobicContact CG2-CG1 4.08Å; I169-V195 HydrophobicContact CG2-CG2 4.21Å; W171-V195 HydrophobicContact CB-CG1 3.93Å; V186-V195 HydrophobicContact CG1-CG1 4.11Å; L189-V195 HydrophobicContact CD2-CG2 4.39Å; L189-V195 HydrophobicContact CG-CG2 4.49Å; Q190-V195 HydrophobicContact CG-CB 3.7Å; Q190-V195 HydrophobicContact CG-CG2 3.83Å; Q190-V195 PolarHBondContact NE2-O 3.24Å; Q190-V195 VanDerWaalsContact NE2-O 3.15Å; V193-V195 HydrophobicContact CG1-CG2 4.5Å; V193-V195 PolarHBondContact O-N 3.14Å; V195-V197 HydrophobicContact CG1-CG2 4.36Å; V195-I226 HydrophobicContact CG1-CD1 3.79Å; V195-I226 HydrophobicContact CG2-CD1 4.31Å
196	D	98	Very high	96.2	Very high	34 Å²	34	57 Å²	57	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.1	175.7	-74.3	-10.5	0	0	0	109.8	K167 I169 W171 Y198 F204 Y222	K167-D196 WeakPolarHBondContact CD-OD2 3.21Å; K167-D196 IonicContact NZ-OD2 3.91Å; K167-D196 PolarHBondContact NZ-OD2 3.25Å; I169-D196 PolarHBondContact O-N 3.45Å; W171-D196 PolarHBondContact N-O 2.86Å; D196-Y198 HydrophobicContact CB-CE2 3.93Å; D196-F204 HydrophobicContact CB-CD2 3.91Å; D196-F204 HydrophobicContact CB-CE2 3.66Å; D196-Y222 HydrophobicContact CB-CE1 3.82Å; D196-Y222 VanDerWaalsContact CB-OH 3.28Å; D196-Y222 WeakPolarHBondContact CB-OH 3.43Å; D196-Y222 PolarHBondContact OD2-OH 3.46Å
197	V	97.6	Very high	95.4	Very high	9 Å²	9	61 Å²	61	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.7	-174.2	-169.2	0	0	0	0	110.8	W171 V173 V195 G202 P203 F204	W171-V197 HydrophobicContact CD2-CG1 4.43Å; W171-V197 HydrophobicContact CE3-CB 4.37Å; W171-V197 HydrophobicContact CE3-CG1 3.66Å; W171-V197 HydrophobicContact CE3-CG2 3.84Å; W171-V197 HydrophobicContact CZ3-CG1 4.1Å; W171-V197 HydrophobicContact CZ3-CG2 4.44Å; W171-V197 CarbonylContact O-C 3.37Å; W171-V197 WeakPolarHBondContact O-CA 3.39Å; V173-V197 HydrophobicContact CG1-CG1 3.59Å; V195-V197 HydrophobicContact CG1-CG2 4.36Å; V197-G202 CarbonylContact O-C 3.49Å; V197-G202 WeakPolarHBondContact O-CA 3.2Å; V197-P203 WeakPolarHBondContact O-CD 3.49Å; V197-F204 WeakPolarHBondContact O-CD2 3.44Å; V197-F204 PolarHBondContact O-N 3.24Å
198	Y	95.2	Very high	94.1	Very high	17 Å²	17	63.2 Å²	63.2	7%	0.067	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.8	179	-70	-102.1	0	0	0	111.4	W171 F172 V173 D196 F204 C206 V217 Y222	W171-Y198 PolarHBondContact O-N 3.36Å; F172-Y198 WeakPolarHBondContact CA-O 3.32Å; F172-Y198 HydrophobicContact CD1-CG 4.49Å; F172-Y198 HydrophobicContact CD2-CD2 4.05Å; F172-Y198 HydrophobicContact CD2-CG 4.16Å; F172-Y198 HydrophobicContact CE1-CD1 4.38Å; F172-Y198 HydrophobicContact CE1-CG 4.12Å; F172-Y198 HydrophobicContact CE2-CD1 4.42Å; F172-Y198 AromaticContact CE2-CD2 3.54Å; F172-Y198 HydrophobicContact CE2-CD2 3.54Å; F172-Y198 HydrophobicContact CE2-CE2 4.17Å; F172-Y198 AromaticContact CE2-CG 3.7Å; F172-Y198 HydrophobicContact CE2-CG 3.7Å; F172-Y198 AromaticContact CZ-CD1 3.99Å; F172-Y198 HydrophobicContact CZ-CD1 3.99Å; F172-Y198 AromaticContact CZ-CD2 3.96Å; F172-Y198 HydrophobicContact CZ-CD2 3.96Å; F172-Y198 AromaticContact CZ-CG 3.69Å; F172-Y198 HydrophobicContact CZ-CG 3.69Å; V173-Y198 PolarHBondContact N-O 3.01Å; D196-Y198 HydrophobicContact CB-CE2 3.93Å; Y198-F204 CarbonylContact C-O 3.47Å; Y198-F204 VanDerWaalsContact CA-O 3.31Å; Y198-F204 WeakPolarHBondContact CA-O 3.46Å; Y198-F204 HydrophobicContact CD1-CB 3.39Å; Y198-F204 HydrophobicContact CD2-CB 4.08Å; Y198-F204 HydrophobicContact CE1-CB 3.42Å; Y198-F204 VanDerWaalsContact CE1-CB 3.42Å; Y198-F204 HydrophobicContact CE1-CG 4.2Å; Y198-F204 HydrophobicContact CE2-CB 4.09Å; Y198-F204 HydrophobicContact CE2-CD2 4.28Å; Y198-F204 HydrophobicContact CE2-CG 4.34Å; Y198-F204 HydrophobicContact CG-CB 3.73Å; Y198-C206 HydrophobicContact CD1-CB 3.77Å; Y198-C206 HydrophobicContact CE1-CB 4.46Å; Y198-V217 HydrophobicContact CE1-CG1 3.86Å; Y198-V217 HydrophobicContact CE2-CG1 4.39Å; Y198-V217 WeakPolarHBondContact OH-CG1 3.44Å; Y198-Y222 HydrophobicContact CE2-CE2 4.38Å; Y198-Y222 AromaticContact CE2-CZ 3.99Å; Y198-Y222 VanDerWaalsContact CE2-OH 3.3Å; Y198-Y222 WeakPolarHBondContact CE2-OH 3.49Å; Y198-Y222 PolarHBondContact OH-OH 3.5Å
199	G	93.3	Very high	92.8	Very high	18 Å²	18	69 Å²	69	19%	0.186	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.3	-148.4	174.1	0	0	0	0	0	112.8	V173 F204 K205	V173-G199 CarbonylContact O-C 3.51Å; V173-G199 WeakPolarHBondContact O-CA 3.26Å; G199-F204 PolarHBondContact N-O 3.47Å; G199-K205 PolarHBondContact O-NZ 3.29Å
200	Q	93.8	Very high	91.7	Very high	153 Å²	153	71.9 Å²	71.9	72%	0.715	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-25.7	-175.3	-67.1	178.9	-24.9	0	0	112.4	V173 S174	V173-Q200 PolarHBondContact O-N 3.48Å; V173-Q200 VanDerWaalsContact O-N 3.11Å; S174-Q200 PolarHBondContact O-OE1 3.49Å
201	C	95.8	Very high	90.5	Very high	42 Å²	42	72.3 Å²	72.3	28%	0.284	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.8	-175.8	-39.7	0	0	0	0	113.7	V173 C176	V173-C201 HydrophobicContact CG1-CB 3.81Å; V173-C201 HydrophobicContact CG2-CB 4.49Å; C176-C201 WeakPolarHBondContact CA-SG 3.39Å; C176-C201 HydrophobicContact CB-CB 3.8Å; C176-C201 WeakPolarHBondContact CB-SG 3.28Å; C176-C201 PolarHBondContact N-SG 2.99Å; C176-C201 WeakPolarHBondContact SG-CA 3.43Å; C176-C201 WeakPolarHBondContact SG-CB 3.47Å; C176-C201 CovalentContact SG-SG 2.03Å; C176-C201 PolarHBondContact SG-SG 3.25Å
202	G	94.2	Very high	89.5	Confident	12 Å²	12	73.6 Å²	73.6	12%	0.124	38%	0.384	C	S	.	.	S	Bend	trans	-140.4	166.1	-175.9	0	0	0	0	0	112.8	V197 F204 K205	V197-G202 CarbonylContact O-C 3.49Å; V197-G202 WeakPolarHBondContact O-CA 3.2Å; G202-F204 VanDerWaalsContact C-N 3.34Å; G202-K205 PolarHBondContact O-NZ 3.16Å
203	P	95.3	Very high	88.8	Confident	105 Å²	105	71 Å²	71	68%	0.682	37%	0.374	S	S	*	.	S	Bend	trans	-72.1	-29.7	-177.4	29.5	-34.6	0	0	0	112.1	V197	V197-P203 WeakPolarHBondContact O-CD 3.49Å
204	F	94.7	Very high	88.1	Confident	78 Å²	78	72.2 Å²	72.2	34%	0.342	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-83.5	147.4	-176.2	-54.5	-70.8	0	0	0	111.9	D196 V197 Y198 G199 G202	D196-F204 HydrophobicContact CB-CD2 3.91Å; D196-F204 HydrophobicContact CB-CE2 3.66Å; V197-F204 WeakPolarHBondContact O-CD2 3.44Å; V197-F204 PolarHBondContact O-N 3.24Å; Y198-F204 CarbonylContact C-O 3.47Å; Y198-F204 VanDerWaalsContact CA-O 3.31Å; Y198-F204 WeakPolarHBondContact CA-O 3.46Å; Y198-F204 HydrophobicContact CD1-CB 3.39Å; Y198-F204 HydrophobicContact CD2-CB 4.08Å; Y198-F204 HydrophobicContact CE1-CB 3.42Å; Y198-F204 VanDerWaalsContact CE1-CB 3.42Å; Y198-F204 HydrophobicContact CE1-CG 4.2Å; Y198-F204 HydrophobicContact CE2-CB 4.09Å; Y198-F204 HydrophobicContact CE2-CD2 4.28Å; Y198-F204 HydrophobicContact CE2-CG 4.34Å; Y198-F204 HydrophobicContact CG-CB 3.73Å; G199-F204 PolarHBondContact N-O 3.47Å; G202-F204 VanDerWaalsContact C-N 3.34Å
205	K	90.2	Very high	87.2	Confident	140 Å²	140	73.1 Å²	73.1	61%	0.609	38%	0.375	S	S	*	.			trans	-120.1	137.2	-179.5	-55.3	-60.3	170.2	-164.1	0	110.5	G199 G202	G199-K205 PolarHBondContact O-NZ 3.29Å; G202-K205 PolarHBondContact O-NZ 3.16Å
206	C	87.4	Confident	86.6	Confident	14 Å²	14	73.6 Å²	73.6	10%	0.095	38%	0.379	C	S	.	.			trans	-152.6	104.8	174.6	-176.6	0	0	0	0	106.9	F172 Y198 R208 C213	F172-C206 HydrophobicContact CD1-CB 4.4Å; F172-C206 HydrophobicContact CE1-CB 3.52Å; F172-C206 WeakPolarHBondContact CE1-SG 3.48Å; F172-C206 HydrophobicContact CZ-CB 4.1Å; Y198-C206 HydrophobicContact CD1-CB 3.77Å; Y198-C206 HydrophobicContact CE1-CB 4.46Å; C206-R208 PolarHBondContact O-N 3.32Å; C206-C213 WeakPolarHBondContact CA-SG 3.48Å; C206-C213 HydrophobicContact CB-CB 4.32Å; C206-C213 WeakPolarHBondContact CB-SG 3.22Å; C206-C213 WeakPolarHBondContact SG-CB 3.27Å; C206-C213 CovalentContact SG-SG 2Å; C206-C213 PolarHBondContact SG-SG 3.36Å
207	P	80	Confident	86.2	Confident	84 Å²	84	73.3 Å²	73.3	55%	0.545	38%	0.378	S	S	.	.			trans	-60	136.3	-177.2	-23.7	33.6	0	0	0	111.4	N209 N210	P207-N209 VanDerWaalsContact C-N 3.25Å; P207-N209 PolarHBondContact O-N 3.25Å; P207-N210 HydrophobicContact CB-CB 4.07Å; P207-N210 HydrophobicContact CG-CB 4.47Å; P207-N210 WeakPolarHBondContact O-CB 3.38Å; P207-N210 PolarHBondContact O-N 2.94Å
208	R	72	Confident	86	Confident	185 Å²	185	72.9 Å²	72.9	70%	0.698	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.2	-177	-74	-175.6	-177.7	158.9	0.9	113.7	S174 C206 N210	S174-R208 PolarHBondContact OG-NH2 3.09Å; C206-R208 PolarHBondContact O-N 3.32Å; R208-N210 PolarHBondContact O-N 3.38Å
209	N	71.2	Confident	85.9	Confident	166 Å²	166	75.8 Å²	75.8	89%	0.888	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	3.3	-178	-61.8	-2.6	0	0	0	112.6	P207	P207-N209 VanDerWaalsContact C-N 3.25Å; P207-N209 PolarHBondContact O-N 3.25Å
210	N	76.6	Confident	85.9	Confident	61 Å²	61	80.1 Å²	80.1	33%	0.326	40%	0.402	S	S	.	.			trans	-99.2	87	178.9	-171.4	-20.2	0	0	0	109.2	P207 R208 Y212 C213	P207-N210 HydrophobicContact CB-CB 4.07Å; P207-N210 HydrophobicContact CG-CB 4.47Å; P207-N210 WeakPolarHBondContact O-CB 3.38Å; P207-N210 PolarHBondContact O-N 2.94Å; R208-N210 PolarHBondContact O-N 3.38Å; N210-Y212 PolarHBondContact O-N 3.46Å; N210-Y212 WeakPolarHBondContact OD1-CA 3.28Å; N210-Y212 VanDerWaalsContact OD1-CB 3.24Å; N210-Y212 WeakPolarHBondContact OD1-CB 3.05Å; N210-Y212 PolarHBondContact OD1-N 3.09Å; N210-C213 HydrophobicContact CB-CB 3.98Å; N210-C213 WeakPolarHBondContact O-CB 3.38Å; N210-C213 PolarHBondContact O-N 2.75Å; N210-C213 PolarHBondContact OD1-N 2.77Å
211	S	73	Confident	86	Confident	94 Å²	94	75.5 Å²	75.5	66%	0.657	38%	0.382	S	S	*	.	H	α-helix	trans	-56.8	-37.1	174.2	53.1	0	0	0	0	111.9	C213 F214 E215	S211-C213 PolarHBondContact O-N 2.83Å; S211-F214 PolarHBondContact O-N 3.1Å; S211-F214 VanDerWaalsContact O-N 3.08Å; S211-E215 PolarHBondContact O-N 3.18Å; S211-E215 VanDerWaalsContact O-N 3.09Å
212	Y	77.9	Confident	86.1	Confident	165 Å²	165	73.6 Å²	73.6	65%	0.647	37%	0.369	S	S	*	.	H	α-helix	trans	-57.9	-34.1	175.7	176.6	-92.4	0	0	0	111.6	N210 S216	N210-Y212 PolarHBondContact O-N 3.46Å; N210-Y212 WeakPolarHBondContact OD1-CA 3.28Å; N210-Y212 VanDerWaalsContact OD1-CB 3.24Å; N210-Y212 WeakPolarHBondContact OD1-CB 3.05Å; N210-Y212 PolarHBondContact OD1-N 3.09Å; Y212-S216 WeakPolarHBondContact O-CB 3.39Å; Y212-S216 PolarHBondContact O-N 2.9Å; Y212-S216 PolarHBondContact O-OG 2.97Å
213	C	83.3	Confident	86.3	Confident	13 Å²	13	73.6 Å²	73.6	9%	0.088	37%	0.366	C	S	.	.	H	α-helix	trans	-68.5	-40.4	176.3	-175.4	0	0	0	0	112.3	C206 N210 S211 V217	C206-C213 WeakPolarHBondContact CA-SG 3.48Å; C206-C213 HydrophobicContact CB-CB 4.32Å; C206-C213 WeakPolarHBondContact CB-SG 3.22Å; C206-C213 WeakPolarHBondContact SG-CB 3.27Å; C206-C213 CovalentContact SG-SG 2Å; C206-C213 PolarHBondContact SG-SG 3.36Å; N210-C213 HydrophobicContact CB-CB 3.98Å; N210-C213 WeakPolarHBondContact O-CB 3.38Å; N210-C213 PolarHBondContact O-N 2.75Å; N210-C213 PolarHBondContact OD1-N 2.77Å; S211-C213 PolarHBondContact O-N 2.83Å; C213-V217 WeakPolarHBondContact O-CA 3.4Å; C213-V217 WeakPolarHBondContact O-CB 3.26Å; C213-V217 WeakPolarHBondContact O-CG2 3.35Å; C213-V217 PolarHBondContact O-N 3.31Å
214	F	83.4	Confident	86.4	Confident	28 Å²	28	68.6 Å²	68.6	12%	0.123	33%	0.333	C	S	.	.	I	π-helix	trans	-64.8	-43.2	174.8	-72.8	-80.8	0	0	0	112	F172 S211 V218 R219	F172-F214 HydrophobicContact CD1-CD1 4.36Å; F172-F214 AromaticContact CD1-CE1 3.43Å; F172-F214 HydrophobicContact CD1-CE1 3.43Å; F172-F214 VanDerWaalsContact CD1-CE1 3.43Å; F172-F214 AromaticContact CD1-CZ 3.8Å; F172-F214 HydrophobicContact CD1-CZ 3.8Å; F172-F214 AromaticContact CE1-CD1 3.96Å; F172-F214 HydrophobicContact CE1-CD1 3.96Å; F172-F214 AromaticContact CE1-CE1 3.43Å; F172-F214 HydrophobicContact CE1-CE1 3.43Å; F172-F214 VanDerWaalsContact CE1-CE1 3.43Å; F172-F214 AromaticContact CE1-CZ 3.9Å; F172-F214 HydrophobicContact CE1-CZ 3.9Å; F172-F214 HydrophobicContact CG-CE1 4.11Å; F172-F214 HydrophobicContact CZ-CD1 4.32Å; F172-F214 HydrophobicContact CZ-CE1 4.15Å; S211-F214 PolarHBondContact O-N 3.1Å; S211-F214 VanDerWaalsContact O-N 3.08Å; F214-V218 HydrophobicContact CD1-CG2 4.07Å; F214-V218 WeakPolarHBondContact O-CA 3.36Å; F214-V218 VanDerWaalsContact O-CB 3.22Å; F214-V218 WeakPolarHBondContact O-CB 3.21Å; F214-V218 PolarHBondContact O-N 3.49Å; F214-R219 PolarHBondContact O-N 3.26Å
215	E	80.4	Confident	86.6	Confident	106 Å²	106	65.1 Å²	65.1	50%	0.495	32%	0.318	S	S	.	.	I	π-helix	trans	-66.4	-54.1	178.2	-173	177.7	179.9	0	0	112.1	S211 V217 R219 Q220	S211-E215 PolarHBondContact O-N 3.18Å; S211-E215 VanDerWaalsContact O-N 3.09Å; E215-V217 PolarHBondContact O-N 3.35Å; E215-R219 WeakPolarHBondContact O-CB 3.48Å; E215-Q220 PolarHBondContact O-N 3.49Å
216	S	85	Confident	87	Confident	21 Å²	21	58.5 Å²	58.5	15%	0.147	29%	0.289	C	S	.	.	I	π-helix	trans	-70.8	-28.5	-177.6	62.9	0	0	0	0	113.7	Y212 Q220 N221	Y212-S216 WeakPolarHBondContact O-CB 3.39Å; Y212-S216 PolarHBondContact O-N 2.9Å; Y212-S216 PolarHBondContact O-OG 2.97Å; S216-Q220 WeakPolarHBondContact O-CB 3.25Å; S216-Q220 PolarHBondContact O-OE1 2.79Å; S216-N221 PolarHBondContact O-ND2 3.47Å
217	V	90.5	Very high	87.5	Confident	29 Å²	29	57.8 Å²	57.8	18%	0.176	29%	0.285	C	S	.	.	I	π-helix	trans	-96.4	-60.4	-178.3	-177.9	0	0	0	0	111	Y198 C213 E215 N221 Y222	Y198-V217 HydrophobicContact CE1-CG1 3.86Å; Y198-V217 HydrophobicContact CE2-CG1 4.39Å; Y198-V217 WeakPolarHBondContact OH-CG1 3.44Å; C213-V217 WeakPolarHBondContact O-CA 3.4Å; C213-V217 WeakPolarHBondContact O-CB 3.26Å; C213-V217 WeakPolarHBondContact O-CG2 3.35Å; C213-V217 PolarHBondContact O-N 3.31Å; E215-V217 PolarHBondContact O-N 3.35Å; V217-N221 VanDerWaalsContact O-CB 3.26Å; V217-N221 WeakPolarHBondContact O-CB 3.46Å; V217-N221 PolarHBondContact O-N 2.99Å; V217-N221 PolarHBondContact O-ND2 2.63Å; V217-Y222 HydrophobicContact CG1-CE2 3.87Å; V217-Y222 WeakPolarHBondContact O-CD2 3.47Å
218	V	93.2	Very high	88.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-71.3	-58.2	-171.6	-178.3	0	0	0	0	110.6	F172 F214 Q220 N221 Y222 Y225 D247 V249	F172-V218 HydrophobicContact CD2-CG2 4.43Å; F172-V218 HydrophobicContact CE1-CG2 4.49Å; F172-V218 HydrophobicContact CE2-CG2 3.46Å; F172-V218 VanDerWaalsContact CE2-CG2 3.46Å; F172-V218 HydrophobicContact CZ-CG2 3.5Å; F172-V218 VanDerWaalsContact CZ-CG2 3.5Å; F214-V218 HydrophobicContact CD1-CG2 4.07Å; F214-V218 WeakPolarHBondContact O-CA 3.36Å; F214-V218 VanDerWaalsContact O-CB 3.22Å; F214-V218 WeakPolarHBondContact O-CB 3.21Å; F214-V218 PolarHBondContact O-N 3.49Å; V218-Q220 PolarHBondContact O-N 3Å; V218-N221 PolarHBondContact O-N 3.04Å; V218-Y222 PolarHBondContact O-N 3.06Å; V218-Y225 HydrophobicContact CG1-CD2 4.11Å; V218-D247 HydrophobicContact CG1-CB 4.34Å; V218-V249 HydrophobicContact CG1-CG1 3.87Å; V218-V249 HydrophobicContact CG1-CG2 4.28Å
219	R	93.8	Very high	89.6	Confident	77 Å²	77	45.1 Å²	45.1	29%	0.291	23%	0.226	S	C	.	.	I	π-helix	trans	-62	-44.4	-174.5	173	172	178.6	171.8	-3.2	112.3	E161 K165 F214 E215 D247 L248	E161-R219 WeakPolarHBondContact OE1-CG 3.44Å; E161-R219 IonicContact OE1-CZ 3.69Å; E161-R219 IonicContact OE1-NE 3.15Å; E161-R219 PolarHBondContact OE1-NE 2.83Å; E161-R219 IonicContact OE1-NH2 3.24Å; E161-R219 IonicContact OE2-CZ 3.07Å; E161-R219 IonicContact OE2-NE 2.69Å; E161-R219 IonicContact OE2-NH2 3.61Å; E161-R219 PolarHBondContact OE2-NH2 2.76Å; E161-R219 VanDerWaalsContact OE2-NH2 3.07Å; K165-R219 WeakPolarHBondContact CE-O 3.46Å; K165-R219 PolarHBondContact NZ-O 2.79Å; F214-R219 PolarHBondContact O-N 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.48Å; R219-D247 VanDerWaalsContact CA-O 3.26Å; R219-D247 WeakPolarHBondContact CA-O 3.21Å; R219-D247 HydrophobicContact CB-CB 4.08Å; R219-D247 VanDerWaalsContact CB-O 3.23Å; R219-D247 WeakPolarHBondContact CB-O 3.33Å; R219-D247 VanDerWaalsContact CG-O 3.28Å; R219-D247 WeakPolarHBondContact CG-O 3.47Å; R219-L248 VanDerWaalsContact NH2-CD1 3.25Å
220	Q	93.1	Very high	90.9	Very high	110 Å²	110	38.1 Å²	38.1	51%	0.514	19%	0.189	S	C	.	.	H	α-helix	trans	-75.2	-28.9	-176.4	-64.9	-178.7	0.8	0	0	114.2	E215 S216 V218	E215-Q220 PolarHBondContact O-N 3.49Å; S216-Q220 WeakPolarHBondContact O-CB 3.25Å; S216-Q220 PolarHBondContact O-OE1 2.79Å; V218-Q220 PolarHBondContact O-N 3Å
221	N	95.5	Very high	92	Very high	56 Å²	56	35.2 Å²	35.2	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-110.7	-30	-167.9	-59.9	-82.1	0	0	0	114.9	K166 K167 S216 V217 V218	K166-N221 PolarHBondContact N-O 2.82Å; K167-N221 CarbonylContact C-O 3.55Å; K167-N221 WeakPolarHBondContact CA-O 3.21Å; K167-N221 HydrophobicContact CB-CB 4.48Å; K167-N221 WeakPolarHBondContact CB-O 3.4Å; K167-N221 HydrophobicContact CD-CB 4.2Å; K167-N221 HydrophobicContact CG-CB 4.36Å; K167-N221 PolarHBondContact N-O 3.04Å; K167-N221 VanDerWaalsContact O-O 3.1Å; S216-N221 PolarHBondContact O-ND2 3.47Å; V217-N221 VanDerWaalsContact O-CB 3.26Å; V217-N221 WeakPolarHBondContact O-CB 3.46Å; V217-N221 PolarHBondContact O-N 2.99Å; V217-N221 PolarHBondContact O-ND2 2.63Å; V218-N221 PolarHBondContact O-N 3.04Å
222	Y	97.5	Very high	93.2	Very high	1 Å²	1	31 Å²	31	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.1	-167.7	-62	-91.5	0	0	0	112.8	K165 K167 I169 A170 D196 Y198 V217 V218 V249	K165-Y222 VanDerWaalsContact CD-O 3.23Å; K165-Y222 WeakPolarHBondContact CD-O 3.21Å; K165-Y222 PolarHBondContact NZ-O 3.01Å; K167-Y222 HydrophobicContact CB-CD1 3.46Å; K167-Y222 VanDerWaalsContact CB-CD1 3.46Å; K167-Y222 HydrophobicContact CB-CE1 3.46Å; K167-Y222 VanDerWaalsContact CB-CE1 3.46Å; K167-Y222 HydrophobicContact CB-CG 4.07Å; K167-Y222 HydrophobicContact CD-CD1 4.3Å; K167-Y222 HydrophobicContact CD-CE1 3.52Å; K167-Y222 HydrophobicContact CD-CE2 3.99Å; K167-Y222 VanDerWaalsContact CD-OH 3.32Å; K167-Y222 WeakPolarHBondContact CD-OH 3.35Å; K167-Y222 HydrophobicContact CG-CE1 4.17Å; K167-Y222 PolarHBondContact NZ-OH 3.18Å; K167-Y222 WeakPolarHBondContact O-CA 3.31Å; I169-Y222 WeakPolarHBondContact O-CE1 3.41Å; A170-Y222 HydrophobicContact CB-CD1 3.65Å; A170-Y222 HydrophobicContact CB-CD2 3.86Å; A170-Y222 HydrophobicContact CB-CE1 3.86Å; A170-Y222 HydrophobicContact CB-CE2 4.05Å; A170-Y222 HydrophobicContact CB-CG 3.63Å; D196-Y222 HydrophobicContact CB-CE1 3.82Å; D196-Y222 VanDerWaalsContact CB-OH 3.28Å; D196-Y222 WeakPolarHBondContact CB-OH 3.43Å; D196-Y222 PolarHBondContact OD2-OH 3.46Å; Y198-Y222 HydrophobicContact CE2-CE2 4.38Å; Y198-Y222 AromaticContact CE2-CZ 3.99Å; Y198-Y222 VanDerWaalsContact CE2-OH 3.3Å; Y198-Y222 WeakPolarHBondContact CE2-OH 3.49Å; Y198-Y222 PolarHBondContact OH-OH 3.5Å; V217-Y222 HydrophobicContact CG1-CE2 3.87Å; V217-Y222 WeakPolarHBondContact O-CD2 3.47Å; V218-Y222 PolarHBondContact O-N 3.06Å; Y222-V249 WeakPolarHBondContact O-CG1 3.5Å
223	K	97.9	Very high	94.1	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.057	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-42.1	171.4	-68.3	-171.2	-179.5	177.3	0	112.3	V162 K165 K167 L168 V249 V250 D288 Y294	V162-K223 WeakPolarHBondContact O-CE 3.44Å; K165-K223 HydrophobicContact CB-CG 4.02Å; K165-K223 HydrophobicContact CD-CG 4.04Å; K167-K223 PolarHBondContact O-N 2.6Å; L168-K223 PolarHBondContact O-N 3.14Å; K223-V249 WeakPolarHBondContact O-CA 3.28Å; K223-V249 WeakPolarHBondContact O-CB 3.28Å; K223-V250 PolarHBondContact O-N 3.49Å; K223-D288 VanDerWaalsContact CD-OD1 3.22Å; K223-D288 WeakPolarHBondContact CD-OD1 3.46Å; K223-D288 WeakPolarHBondContact CE-OD1 3.4Å; K223-D288 PolarHBondContact NZ-O 3.21Å; K223-D288 IonicContact NZ-OD1 3.97Å; K223-D288 PolarHBondContact NZ-OD1 3.06Å; K223-Y294 WeakPolarHBondContact CA-OH 3.33Å; K223-Y294 HydrophobicContact CB-CE2 3.8Å; K223-Y294 HydrophobicContact CD-CE2 4.46Å; K223-Y294 HydrophobicContact CG-CE2 4.42Å; K223-Y294 PolarHBondContact O-OH 2.68Å
224	F	98.6	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.1	-176.4	-53.3	-77.6	0	0	0	111.7	L168 I169 A170 V250 I252 I269 L284 L287 Y294	L168-F224 HydrophobicContact CD1-CD2 3.69Å; L168-F224 HydrophobicContact CD1-CE2 3.56Å; L168-F224 HydrophobicContact CG-CD2 4.1Å; L168-F224 HydrophobicContact CG-CE2 4.37Å; L168-F224 WeakPolarHBondContact O-CD2 3.37Å; L168-F224 PolarHBondContact O-N 2.97Å; I169-F224 WeakPolarHBondContact CA-O 3.36Å; I169-F224 HydrophobicContact CG1-CB 4.22Å; I169-F224 HydrophobicContact CG1-CD2 4.46Å; I169-F224 HydrophobicContact CG2-CB 4.47Å; A170-F224 PolarHBondContact N-O 2.03Å; F224-V250 WeakPolarHBondContact CA-O 3.4Å; F224-V250 HydrophobicContact CD1-CB 3.87Å; F224-V250 HydrophobicContact CD1-CG1 4.4Å; F224-V250 HydrophobicContact CE1-CB 4.14Å; F224-I252 HydrophobicContact CB-CD1 3.77Å; F224-I252 HydrophobicContact CB-CG1 4.19Å; F224-I252 HydrophobicContact CG-CD1 4.38Å; F224-I269 HydrophobicContact CD1-CD1 3.96Å; F224-I269 HydrophobicContact CE1-CD1 3.62Å; F224-L284 HydrophobicContact CD1-CD2 3.66Å; F224-L284 HydrophobicContact CD2-CB 4.43Å; F224-L284 HydrophobicContact CD2-CD2 4.07Å; F224-L284 HydrophobicContact CE1-CD2 3.64Å; F224-L284 HydrophobicContact CE2-CB 4.13Å; F224-L284 HydrophobicContact CE2-CD2 4.03Å; F224-L284 HydrophobicContact CG-CD2 3.9Å; F224-L284 HydrophobicContact CZ-CB 4.48Å; F224-L284 HydrophobicContact CZ-CD2 3.83Å; F224-L287 HydrophobicContact CE1-CD1 4.01Å; F224-L287 HydrophobicContact CZ-CB 3.83Å; F224-L287 HydrophobicContact CZ-CD1 4.02Å; F224-Y294 HydrophobicContact CD1-CE2 4.29Å; F224-Y294 AromaticContact CE1-CD2 3.94Å; F224-Y294 HydrophobicContact CE1-CD2 3.94Å; F224-Y294 AromaticContact CE1-CE2 3.66Å; F224-Y294 HydrophobicContact CE1-CE2 3.66Å; F224-Y294 HydrophobicContact CE2-CE2 4.47Å; F224-Y294 AromaticContact CZ-CD2 3.8Å; F224-Y294 HydrophobicContact CZ-CD2 3.8Å; F224-Y294 AromaticContact CZ-CE2 3.76Å; F224-Y294 HydrophobicContact CZ-CE2 3.76Å
225	Y	98.1	Very high	95.4	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.6	175	177.9	-84.3	0	0	0	110	A170 F172 V218 A227 K240 R244 V250 P251 I252	A170-Y225 HydrophobicContact CB-CD2 4.31Å; A170-Y225 WeakPolarHBondContact O-CA 3.32Å; F172-Y225 HydrophobicContact CB-CE2 4.23Å; F172-Y225 HydrophobicContact CD2-CD2 4.43Å; F172-Y225 AromaticContact CD2-CE2 3.63Å; F172-Y225 HydrophobicContact CD2-CE2 3.63Å; F172-Y225 HydrophobicContact CE2-CE2 4.33Å; F172-Y225 HydrophobicContact CG-CE2 4.14Å; V218-Y225 HydrophobicContact CG1-CD2 4.11Å; Y225-A227 HydrophobicContact CD1-CB 4.08Å; Y225-A227 HydrophobicContact CE1-CB 4.16Å; Y225-A227 PolarHBondContact O-N 3.38Å; Y225-K240 HydrophobicContact CE1-CB 4.44Å; Y225-K240 WeakPolarHBondContact CE1-O 3.42Å; Y225-R244 HydrophobicContact CD1-CB 4.04Å; Y225-R244 HydrophobicContact CD1-CG 3.56Å; Y225-R244 HydrophobicContact CD2-CG 4.19Å; Y225-R244 HydrophobicContact CE1-CB 4.39Å; Y225-R244 HydrophobicContact CE1-CG 3.44Å; Y225-R244 VanDerWaalsContact CE1-CG 3.44Å; Y225-R244 HydrophobicContact CE2-CG 4.06Å; Y225-R244 HydrophobicContact CG-CB 4.28Å; Y225-R244 HydrophobicContact CG-CG 3.94Å; Y225-R244 VanDerWaalsContact CZ-CD 3.45Å; Y225-V250 PolarHBondContact N-O 3.42Å; Y225-V250 VanDerWaalsContact N-O 3.1Å; Y225-P251 CarbonylContact O-C 3.59Å; Y225-P251 VanDerWaalsContact O-CA 3.28Å; Y225-P251 WeakPolarHBondContact O-CA 3.35Å; Y225-I252 PolarHBondContact O-N 3.42Å
226	I	98.7	Very high	96.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	110.1	175.3	-67.7	176	0	0	0	109.3	I169 A170 W171 V186 L189 V195 F228 I252	I169-I226 HydrophobicContact CG2-CD1 3.71Å; I169-I226 HydrophobicContact CG2-CG1 3.56Å; A170-I226 PolarHBondContact O-N 2.75Å; W171-I226 HydrophobicContact CB-CB 3.95Å; W171-I226 HydrophobicContact CB-CD1 4.2Å; W171-I226 HydrophobicContact CB-CG1 4.48Å; W171-I226 VanDerWaalsContact CD1-CG2 3.43Å; W171-I226 HydrophobicContact CG-CB 3.87Å; W171-I226 HydrophobicContact CG-CD1 4.41Å; W171-I226 HydrophobicContact CG-CG2 3.94Å; V186-I226 HydrophobicContact CG1-CD1 4.22Å; V186-I226 HydrophobicContact CG2-CD1 3.97Å; V186-I226 HydrophobicContact CG2-CG2 4.25Å; L189-I226 HydrophobicContact CD2-CD1 4.04Å; V195-I226 HydrophobicContact CG1-CD1 3.79Å; V195-I226 HydrophobicContact CG2-CD1 4.31Å; I226-F228 HydrophobicContact CD1-CE2 4.48Å; I226-F228 HydrophobicContact CG2-CB 3.96Å; I226-F228 HydrophobicContact CG2-CD1 4.07Å; I226-F228 HydrophobicContact CG2-CD2 3.2Å; I226-F228 HydrophobicContact CG2-CE1 4.37Å; I226-F228 HydrophobicContact CG2-CE2 3.55Å; I226-F228 HydrophobicContact CG2-CG 3.47Å; I226-F228 VanDerWaalsContact CG2-CG 3.47Å; I226-F228 HydrophobicContact CG2-CZ 4.13Å; I226-I252 HydrophobicContact CG1-CB 4.44Å; I226-I252 HydrophobicContact CG1-CD1 4.15Å
227	A	98.1	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.			trans	-101.5	26.8	178.4	0	0	0	0	0	112.6	Y225 E229 K240 P251 I252 V253	Y225-A227 HydrophobicContact CD1-CB 4.08Å; Y225-A227 HydrophobicContact CE1-CB 4.16Å; Y225-A227 PolarHBondContact O-N 3.38Å; A227-E229 PolarHBondContact O-N 3.1Å; A227-K240 HydrophobicContact CB-CB 4.16Å; A227-K240 VanDerWaalsContact CB-O 3.3Å; A227-K240 WeakPolarHBondContact CB-O 3.48Å; A227-P251 HydrophobicContact CB-CB 4Å; A227-I252 PolarHBondContact N-O 3.47Å; A227-V253 HydrophobicContact CB-CG1 4.15Å
228	F	98.6	Very high	97.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.			trans	-61.6	121.6	177.8	-61.6	-24.9	0	0	0	112.1	R182 Y185 V186 I226 I252 V253 F254 A271	R182-F228 HydrophobicContact CB-CB 3.86Å; R182-F228 HydrophobicContact CB-CD2 4.28Å; R182-F228 HydrophobicContact CB-CG 4.48Å; R182-F228 WeakPolarHBondContact CD-O 3.31Å; R182-F228 PolarHBondContact NH1-O 2.62Å; Y185-F228 AromaticContact CD1-CE2 3.57Å; Y185-F228 HydrophobicContact CD1-CE2 3.57Å; Y185-F228 AromaticContact CD1-CZ 3.79Å; Y185-F228 HydrophobicContact CD1-CZ 3.79Å; Y185-F228 HydrophobicContact CE1-CE2 4.12Å; Y185-F228 AromaticContact CE1-CZ 3.87Å; Y185-F228 HydrophobicContact CE1-CZ 3.87Å; Y185-F228 HydrophobicContact CG-CE2 4.45Å; V186-F228 HydrophobicContact CG2-CD2 3.76Å; V186-F228 HydrophobicContact CG2-CE2 3.76Å; I226-F228 HydrophobicContact CD1-CE2 4.48Å; I226-F228 HydrophobicContact CG2-CB 3.96Å; I226-F228 HydrophobicContact CG2-CD1 4.07Å; I226-F228 HydrophobicContact CG2-CD2 3.2Å; I226-F228 HydrophobicContact CG2-CE1 4.37Å; I226-F228 HydrophobicContact CG2-CE2 3.55Å; I226-F228 HydrophobicContact CG2-CG 3.47Å; I226-F228 VanDerWaalsContact CG2-CG 3.47Å; I226-F228 HydrophobicContact CG2-CZ 4.13Å; F228-I252 HydrophobicContact CE1-CG2 3.83Å; F228-I252 HydrophobicContact CZ-CG2 3.92Å; F228-V253 WeakPolarHBondContact CE1-O 2.96Å; F228-F254 HydrophobicContact CB-CD2 4.04Å; F228-F254 HydrophobicContact CB-CE2 3.82Å; F228-F254 HydrophobicContact CB-CZ 4.34Å; F228-F254 HydrophobicContact CD1-CD1 4.05Å; F228-F254 HydrophobicContact CD1-CD2 4.04Å; F228-F254 HydrophobicContact CD1-CE1 4.21Å; F228-F254 HydrophobicContact CD1-CE2 4.25Å; F228-F254 AromaticContact CD1-CG 3.93Å; F228-F254 HydrophobicContact CD1-CG 3.93Å; F228-F254 HydrophobicContact CD1-CZ 4.31Å; F228-F254 HydrophobicContact CD2-CE1 4.27Å; F228-F254 HydrophobicContact CD2-CE2 4.31Å; F228-F254 AromaticContact CD2-CZ 3.96Å; F228-F254 HydrophobicContact CD2-CZ 3.96Å; F228-F254 HydrophobicContact CE1-CD1 4.04Å; F228-F254 HydrophobicContact CE1-CE1 4.2Å; F228-F254 HydrophobicContact CE1-CG 4.33Å; F228-F254 HydrophobicContact CE2-CE1 4.29Å; F228-F254 HydrophobicContact CE2-CZ 4.38Å; F228-F254 HydrophobicContact CG-CD1 4.5Å; F228-F254 HydrophobicContact CG-CD2 4.08Å; F228-F254 HydrophobicContact CG-CE1 4.27Å; F228-F254 AromaticContact CG-CE2 3.88Å; F228-F254 HydrophobicContact CG-CE2 3.88Å; F228-F254 HydrophobicContact CG-CG 4.39Å; F228-F254 AromaticContact CG-CZ 3.95Å; F228-F254 HydrophobicContact CG-CZ 3.95Å; F228-F254 HydrophobicContact CZ-CD1 4.49Å; F228-F254 HydrophobicContact CZ-CE1 4.25Å; F228-A271 HydrophobicContact CE1-CB 4.19Å; F228-A271 HydrophobicContact CZ-CB 4.31Å
229	E	98	Very high	97.1	Very high	3 Å²	3	20 Å²	20	1%	0.014	10%	0.097	C	C	.	.			trans	-72.6	152.8	177.2	-61	-60.9	175.9	0	0	112.6	S180 A227 S231 Y236 T238 K240	S180-E229 PolarHBondContact OG-O 3.04Å; A227-E229 PolarHBondContact O-N 3.1Å; E229-S231 WeakPolarHBondContact CB-O 3.02Å; E229-S231 PolarHBondContact O-N 3.02Å; E229-Y236 HydrophobicContact CB-CD1 4.11Å; E229-Y236 HydrophobicContact CB-CE1 4.26Å; E229-Y236 HydrophobicContact CG-CD1 4.31Å; E229-T238 WeakPolarHBondContact OE1-CA 3.14Å; E229-T238 VanDerWaalsContact OE1-CB 3.25Å; E229-T238 WeakPolarHBondContact OE1-CB 3.42Å; E229-T238 WeakPolarHBondContact OE1-CG2 3.36Å; E229-T238 PolarHBondContact OE1-N 3.19Å; E229-T238 PolarHBondContact OE1-OG1 3.42Å; E229-T238 WeakPolarHBondContact OE2-CG2 3.14Å; E229-T238 PolarHBondContact OE2-OG1 2.82Å; E229-K240 IonicContact OE2-NZ 2.75Å; E229-K240 PolarHBondContact OE2-NZ 2.9Å; E229-K240 VanDerWaalsContact OE2-NZ 3.16Å
230	N	98.1	Very high	97.1	Very high	19 Å²	19	17.8 Å²	17.8	10%	0.102	9%	0.089	C	C	.	.	S	Bend	trans	-64.4	-18.3	175.3	65.4	18.4	0	0	0	112.1	H110 S178 P179 S180 Y236	H110-N230 PolarHBondContact NE2-ND2 2.81Å; S178-N230 WeakPolarHBondContact CB-O 3.49Å; P179-N230 VanDerWaalsContact CD-O 3.31Å; P179-N230 WeakPolarHBondContact CD-O 3.42Å; S180-N230 WeakPolarHBondContact CB-O 3.44Å; S180-N230 PolarHBondContact N-O 3.29Å; S180-N230 VanDerWaalsContact OG-C 3.24Å; S180-N230 PolarHBondContact OG-O 3.27Å; S180-N230 VanDerWaalsContact OG-O 3.05Å; N230-Y236 WeakPolarHBondContact OD1-CE1 3.31Å
231	S	98.3	Very high	97.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-143	128	-175.7	-56.1	0	0	0	0	107.9	S107 E229 C233 Y236	S107-S231 VanDerWaalsContact CB-CB 3.45Å; S107-S231 WeakPolarHBondContact CB-OG 3.46Å; S107-S231 VanDerWaalsContact OG-CB 3.26Å; S107-S231 WeakPolarHBondContact OG-CB 3.18Å; S107-S231 PolarHBondContact OG-OG 3.1Å; E229-S231 WeakPolarHBondContact CB-O 3.02Å; E229-S231 PolarHBondContact O-N 3.02Å; S231-C233 PolarHBondContact O-N 3.32Å; S231-Y236 WeakPolarHBondContact O-CD1 3.4Å
232	V	98.3	Very high	97.3	Very high	6 Å²	6	10 Å²	10	4%	0.036	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	99.2	173.4	-179.7	0	0	0	0	106.7	F254 I258 C352 H353 Y356 L363	V232-F254 HydrophobicContact CG2-CB 4.2Å; V232-F254 HydrophobicContact CG2-CD2 3.54Å; V232-F254 HydrophobicContact CG2-CE2 4.23Å; V232-F254 HydrophobicContact CG2-CG 4.16Å; V232-I258 HydrophobicContact CG1-CD1 3.71Å; V232-C352 CarbonylContact O-C 3.4Å; V232-C352 VanDerWaalsContact O-CA 3.28Å; V232-C352 WeakPolarHBondContact O-CA 3.26Å; V232-H353 HydrophobicContact CB-CB 4.34Å; V232-H353 HydrophobicContact CG1-CB 4.28Å; V232-H353 PolarHBondContact O-N 3.35Å; V232-Y356 HydrophobicContact CB-CD1 4.4Å; V232-Y356 HydrophobicContact CB-CG 4.25Å; V232-Y356 HydrophobicContact CG1-CD1 4.16Å; V232-Y356 HydrophobicContact CG1-CD2 4.45Å; V232-Y356 HydrophobicContact CG1-CE1 4.48Å; V232-Y356 HydrophobicContact CG1-CG 4.11Å; V232-Y356 HydrophobicContact CG2-CD1 3.8Å; V232-Y356 HydrophobicContact CG2-CG 4.03Å; V232-L363 HydrophobicContact CG1-CD1 3.88Å
233	C	98.1	Very high	97	Very high	1 Å²	1	11 Å²	11	1%	0.007	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.3	-176.2	-56.8	0	0	0	0	111	S231 D235 Y236 T351 C352	S231-C233 PolarHBondContact O-N 3.32Å; C233-D235 PolarHBondContact O-N 3.02Å; C233-Y236 PolarHBondContact O-N 2.93Å; C233-Y236 VanDerWaalsContact O-N 3.1Å; C233-T351 CarbonylContact C-O 3.06Å; C233-T351 WeakPolarHBondContact CA-O 2.99Å; C233-T351 WeakPolarHBondContact CB-O 3.47Å; C233-C352 HydrophobicContact CB-CB 4.06Å; C233-C352 WeakPolarHBondContact CB-SG 3.01Å; C233-C352 WeakPolarHBondContact SG-CB 3.28Å; C233-C352 CovalentContact SG-SG 2.03Å; C233-C352 PolarHBondContact SG-SG 3.07Å
234	V	97.1	Very high	96.7	Very high	53 Å²	53	11.5 Å²	11.5	32%	0.321	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	127.7	172.2	175.4	0	0	0	0	109.3	Y130 Y236 T351	Y130-V234 WeakPolarHBondContact CE2-O 3.47Å; V234-Y236 PolarHBondContact O-N 3.28Å; V234-T351 PolarHBondContact N-O 2.84Å
235	D	97.3	Very high	96.5	Very high	13 Å²	13	11.6 Å²	11.6	7%	0.07	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	1.4	179.5	-55.9	-20.6	0	0	0	117	Y130 R132 C233 V237 I262	Y130-D235 HydrophobicContact CD2-CB 4.31Å; Y130-D235 WeakPolarHBondContact CD2-O 2.93Å; Y130-D235 HydrophobicContact CE2-CB 4.38Å; R132-D235 WeakPolarHBondContact CB-OD2 3.25Å; R132-D235 HydrophobicContact CG-CB 4.49Å; R132-D235 WeakPolarHBondContact CG-OD2 3.42Å; R132-D235 IonicContact CZ-OD1 3.25Å; R132-D235 VanDerWaalsContact CZ-OD1 3.25Å; R132-D235 PolarHBondContact N-OD2 2.97Å; R132-D235 VanDerWaalsContact NE-CG 3.25Å; R132-D235 IonicContact NE-OD1 2.88Å; R132-D235 PolarHBondContact NE-OD1 3.25Å; R132-D235 IonicContact NE-OD2 3.25Å; R132-D235 PolarHBondContact NE-OD2 2.7Å; R132-D235 IonicContact NH2-OD1 2.6Å; R132-D235 PolarHBondContact NH2-OD1 3.2Å; R132-D235 IonicContact NH2-OD2 2.94Å; C233-D235 PolarHBondContact O-N 3.02Å; D235-V237 PolarHBondContact O-N 2.89Å; D235-I262 HydrophobicContact CB-CD1 4.42Å
236	Y	98	Very high	96.2	Very high	5 Å²	5	15.2 Å²	15.2	2%	0.02	8%	0.078	C	C	.	.			trans	-81.2	88.8	-177	-167.8	-112.2	0	0	0	111.3	L105 E106 Y130 F140 E229 N230 S231 C233 V234 T238	L105-Y236 WeakPolarHBondContact O-CE2 3.11Å; E106-Y236 PolarHBondContact OE2-OH 3.39Å; Y130-Y236 AromaticContact CD1-CD2 3.63Å; Y130-Y236 HydrophobicContact CD1-CD2 3.63Å; Y130-Y236 HydrophobicContact CD1-CE2 4.02Å; Y130-Y236 AromaticContact CD2-CD2 3.92Å; Y130-Y236 HydrophobicContact CD2-CD2 3.92Å; Y130-Y236 AromaticContact CE1-CD2 3.38Å; Y130-Y236 HydrophobicContact CE1-CD2 3.38Å; Y130-Y236 AromaticContact CE1-CE2 3.9Å; Y130-Y236 HydrophobicContact CE1-CE2 3.9Å; Y130-Y236 HydrophobicContact CE1-CG 4.38Å; Y130-Y236 AromaticContact CE2-CD2 3.73Å; Y130-Y236 HydrophobicContact CE2-CD2 3.73Å; Y130-Y236 HydrophobicContact CE2-CG 4.15Å; Y130-Y236 AromaticContact CG-CD2 3.89Å; Y130-Y236 HydrophobicContact CG-CD2 3.89Å; Y130-Y236 AromaticContact CZ-CD2 3.45Å; Y130-Y236 VanDerWaalsContact CZ-CD2 3.45Å; F140-Y236 AromaticContact CE2-CE2 3.99Å; F140-Y236 HydrophobicContact CE2-CE2 3.99Å; F140-Y236 HydrophobicContact CZ-CE2 4.38Å; E229-Y236 HydrophobicContact CB-CD1 4.11Å; E229-Y236 HydrophobicContact CB-CE1 4.26Å; E229-Y236 HydrophobicContact CG-CD1 4.31Å; N230-Y236 WeakPolarHBondContact OD1-CE1 3.31Å; S231-Y236 WeakPolarHBondContact O-CD1 3.4Å; C233-Y236 PolarHBondContact O-N 2.93Å; C233-Y236 VanDerWaalsContact O-N 3.1Å; V234-Y236 PolarHBondContact O-N 3.28Å; Y236-T238 HydrophobicContact CD1-CG2 4.34Å; Y236-T238 HydrophobicContact CE1-CG2 3.83Å; Y236-T238 HydrophobicContact CE2-CG2 4.04Å
237	V	97.5	Very high	95.9	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.024	8%	0.083	C	C	.	.			trans	-125.7	123.9	175.9	178.3	0	0	0	0	108.4	F140 D235 Y241 F242 I258 Y259 I262	F140-V237 WeakPolarHBondContact CB-O 3.04Å; D235-V237 PolarHBondContact O-N 2.89Å; V237-Y241 HydrophobicContact CG1-CD1 3.35Å; V237-Y241 HydrophobicContact CG1-CE1 4.23Å; V237-Y241 HydrophobicContact CG1-CG 3.85Å; V237-F242 HydrophobicContact CB-CE2 4.26Å; V237-F242 HydrophobicContact CG1-CD2 4.38Å; V237-F242 HydrophobicContact CG1-CE2 3.74Å; V237-F242 HydrophobicContact CG1-CZ 4.03Å; V237-F242 WeakPolarHBondContact O-CE2 3.44Å; V237-I258 HydrophobicContact CG2-CG2 3.69Å; V237-Y259 HydrophobicContact CB-CE1 4.3Å; V237-Y259 HydrophobicContact CG1-CD1 3.92Å; V237-Y259 HydrophobicContact CG1-CE1 3.63Å; V237-Y259 HydrophobicContact CG2-CD1 3.88Å; V237-Y259 HydrophobicContact CG2-CE1 3.77Å; V237-Y259 HydrophobicContact CG2-CE2 4.39Å; V237-Y259 HydrophobicContact CG2-CG 4.27Å; V237-I262 HydrophobicContact CB-CD1 3.95Å; V237-I262 HydrophobicContact CG2-CD1 3.49Å; V237-I262 VanDerWaalsContact CG2-CD1 3.49Å
238	T	96	Very high	95.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.086	C	C	.	.			trans	-111.1	-171.6	-168.4	75.9	0	0	0	0	113.5	F140 E229 Y236 K240 Y241 F242	F140-T238 HydrophobicContact CD1-CG2 4.19Å; F140-T238 HydrophobicContact CD2-CG2 4.11Å; F140-T238 HydrophobicContact CE1-CG2 4.18Å; F140-T238 HydrophobicContact CE2-CG2 4.07Å; F140-T238 HydrophobicContact CG-CG2 4.2Å; F140-T238 HydrophobicContact CZ-CG2 4.12Å; E229-T238 WeakPolarHBondContact OE1-CA 3.14Å; E229-T238 VanDerWaalsContact OE1-CB 3.25Å; E229-T238 WeakPolarHBondContact OE1-CB 3.42Å; E229-T238 WeakPolarHBondContact OE1-CG2 3.36Å; E229-T238 PolarHBondContact OE1-N 3.19Å; E229-T238 PolarHBondContact OE1-OG1 3.42Å; E229-T238 WeakPolarHBondContact OE2-CG2 3.14Å; E229-T238 PolarHBondContact OE2-OG1 2.82Å; Y236-T238 HydrophobicContact CD1-CG2 4.34Å; Y236-T238 HydrophobicContact CE1-CG2 3.83Å; Y236-T238 HydrophobicContact CE2-CG2 4.04Å; T238-K240 PolarHBondContact O-N 2.9Å; T238-K240 PolarHBondContact OG1-N 2.87Å; T238-K240 PolarHBondContact OG1-NZ 2.87Å; T238-Y241 PolarHBondContact O-N 3.42Å; T238-Y241 VanDerWaalsContact O-N 3.07Å; T238-F242 WeakPolarHBondContact O-CD2 3.14Å; T238-F242 PolarHBondContact O-N 2.83Å
239	E	93.3	Very high	95.5	Very high	54 Å²	54	16.8 Å²	16.8	25%	0.252	9%	0.087	S	C	.	.	H	α-helix	trans	-52.5	-26.3	172.9	70.4	-69.9	153.8	0	0	113.9	F140 Y241 F242 D243	F140-E239 VanDerWaalsContact CD1-OE2 3.28Å; F140-E239 WeakPolarHBondContact CD1-OE2 3.5Å; E239-Y241 PolarHBondContact O-N 2.84Å; E239-Y241 VanDerWaalsContact O-N 3.17Å; E239-F242 PolarHBondContact O-N 3.4Å; E239-D243 WeakPolarHBondContact CB-OD2 3.19Å; E239-D243 VanDerWaalsContact O-CB 3.28Å; E239-D243 WeakPolarHBondContact O-CB 3.39Å; E239-D243 PolarHBondContact O-N 3.12Å
240	K	94.2	Very high	95.5	Very high	30 Å²	30	16.8 Å²	16.8	13%	0.13	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-26.8	179.3	-67.6	172.1	-151.1	64.6	0	112.5	Y225 A227 E229 T238 R244	Y225-K240 HydrophobicContact CE1-CB 4.44Å; Y225-K240 WeakPolarHBondContact CE1-O 3.42Å; A227-K240 HydrophobicContact CB-CB 4.16Å; A227-K240 VanDerWaalsContact CB-O 3.3Å; A227-K240 WeakPolarHBondContact CB-O 3.48Å; E229-K240 IonicContact OE2-NZ 2.75Å; E229-K240 PolarHBondContact OE2-NZ 2.9Å; E229-K240 VanDerWaalsContact OE2-NZ 3.16Å; T238-K240 PolarHBondContact O-N 2.9Å; T238-K240 PolarHBondContact OG1-N 2.87Å; T238-K240 PolarHBondContact OG1-NZ 2.87Å; K240-R244 WeakPolarHBondContact O-CB 3.39Å; K240-R244 WeakPolarHBondContact O-CG 3.41Å
241	Y	96.9	Very high	95.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-92.5	-59.6	172.3	174.4	-117.8	0	0	0	110.5	F143 V237 T238 E239 D243 R244 L245 P251 V253 Y259 S267 F268	F143-Y241 AromaticContact CE2-CE1 3.91Å; F143-Y241 HydrophobicContact CE2-CE1 3.91Å; F143-Y241 AromaticContact CZ-CE1 3.82Å; F143-Y241 HydrophobicContact CZ-CE1 3.82Å; F143-Y241 AromaticContact CZ-CZ 3.97Å; V237-Y241 HydrophobicContact CG1-CD1 3.35Å; V237-Y241 HydrophobicContact CG1-CE1 4.23Å; V237-Y241 HydrophobicContact CG1-CG 3.85Å; T238-Y241 PolarHBondContact O-N 3.42Å; T238-Y241 VanDerWaalsContact O-N 3.07Å; E239-Y241 PolarHBondContact O-N 2.84Å; E239-Y241 VanDerWaalsContact O-N 3.17Å; Y241-D243 PolarHBondContact O-N 3.5Å; Y241-R244 PolarHBondContact O-N 3.1Å; Y241-L245 HydrophobicContact CD2-CD1 4.32Å; Y241-L245 HydrophobicContact CD2-CG 4.46Å; Y241-L245 HydrophobicContact CE1-CD1 4.15Å; Y241-L245 HydrophobicContact CE2-CD1 3.86Å; Y241-L245 HydrophobicContact CE2-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CG 4.23Å; Y241-L245 WeakPolarHBondContact O-CG 3.46Å; Y241-L245 PolarHBondContact O-N 2.87Å; Y241-P251 HydrophobicContact CD2-CB 3.93Å; Y241-P251 HydrophobicContact CD2-CG 3.91Å; Y241-P251 HydrophobicContact CE2-CB 4.44Å; Y241-P251 HydrophobicContact CE2-CG 4.25Å; Y241-V253 HydrophobicContact CD2-CG1 4.38Å; Y241-Y259 HydrophobicContact CD1-CD1 4.17Å; Y241-Y259 HydrophobicContact CD1-CE1 4.4Å; Y241-Y259 HydrophobicContact CD2-CD1 4.14Å; Y241-Y259 HydrophobicContact CD2-CE1 4.27Å; Y241-Y259 HydrophobicContact CE1-CD1 4.31Å; Y241-Y259 HydrophobicContact CE2-CD1 4.35Å; Y241-Y259 HydrophobicContact CG-CD1 4.04Å; Y241-Y259 AromaticContact CG-CE1 3.99Å; Y241-Y259 HydrophobicContact CG-CE1 3.99Å; Y241-S267 PolarHBondContact OH-OG 3.33Å; Y241-F268 HydrophobicContact CE2-CB 4.03Å; Y241-F268 HydrophobicContact CE2-CD1 4.04Å; Y241-F268 HydrophobicContact CE2-CG 4.45Å
242	F	95.4	Very high	95.6	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-43.5	-170.1	-63	-73.6	0	0	0	114.4	F140 G141 F143 V237 T238 E239 I262 S306	F140-F242 HydrophobicContact CB-CD2 4.28Å; F140-F242 HydrophobicContact CB-CE2 4.31Å; G141-F242 VanDerWaalsContact C-CE1 3.41Å; G141-F242 VanDerWaalsContact C-CZ 3.44Å; G141-F242 WeakPolarHBondContact O-CZ 3.23Å; F143-F242 HydrophobicContact CD2-CE1 4.26Å; F143-F242 HydrophobicContact CE2-CD1 4.1Å; F143-F242 AromaticContact CE2-CE1 3.72Å; F143-F242 HydrophobicContact CE2-CE1 3.72Å; F143-F242 HydrophobicContact CZ-CD1 4.38Å; F143-F242 HydrophobicContact CZ-CE1 4.42Å; V237-F242 HydrophobicContact CB-CE2 4.26Å; V237-F242 HydrophobicContact CG1-CD2 4.38Å; V237-F242 HydrophobicContact CG1-CE2 3.74Å; V237-F242 HydrophobicContact CG1-CZ 4.03Å; V237-F242 WeakPolarHBondContact O-CE2 3.44Å; T238-F242 WeakPolarHBondContact O-CD2 3.14Å; T238-F242 PolarHBondContact O-N 2.83Å; E239-F242 PolarHBondContact O-N 3.4Å; F242-I262 HydrophobicContact CE1-CG2 4.04Å; F242-I262 HydrophobicContact CZ-CG2 3.58Å; F242-S306 PolarHBondContact O-OG 3.5Å
243	D	90.7	Very high	95.6	Very high	23 Å²	23	15.6 Å²	15.6	12%	0.123	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-36.8	-177.2	-67.1	-6.1	0	0	0	110.8	E239 Y241 L245 N246 G308 Y309	E239-D243 WeakPolarHBondContact CB-OD2 3.19Å; E239-D243 VanDerWaalsContact O-CB 3.28Å; E239-D243 WeakPolarHBondContact O-CB 3.39Å; E239-D243 PolarHBondContact O-N 3.12Å; Y241-D243 PolarHBondContact O-N 3.5Å; D243-L245 VanDerWaalsContact C-N 3.31Å; D243-L245 PolarHBondContact O-N 3.08Å; D243-N246 WeakPolarHBondContact O-CB 2.89Å; D243-N246 PolarHBondContact O-N 3.37Å; D243-N246 VanDerWaalsContact O-N 3.14Å; D243-G308 VanDerWaalsContact OD1-CA 3.23Å; D243-G308 WeakPolarHBondContact OD1-CA 3.27Å; D243-Y309 PolarHBondContact OD1-N 3.5Å
244	R	91.7	Very high	95.6	Very high	22 Å²	22	15.7 Å²	15.7	8%	0.083	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-71.7	-25.2	-176.2	-60.1	-70.1	85.9	76.2	2.9	113.1	Y225 K240 Y241 N246 D247 V249	Y225-R244 HydrophobicContact CD1-CB 4.04Å; Y225-R244 HydrophobicContact CD1-CG 3.56Å; Y225-R244 HydrophobicContact CD2-CG 4.19Å; Y225-R244 HydrophobicContact CE1-CB 4.39Å; Y225-R244 HydrophobicContact CE1-CG 3.44Å; Y225-R244 VanDerWaalsContact CE1-CG 3.44Å; Y225-R244 HydrophobicContact CE2-CG 4.06Å; Y225-R244 HydrophobicContact CG-CB 4.28Å; Y225-R244 HydrophobicContact CG-CG 3.94Å; Y225-R244 VanDerWaalsContact CZ-CD 3.45Å; K240-R244 WeakPolarHBondContact O-CB 3.39Å; K240-R244 WeakPolarHBondContact O-CG 3.41Å; Y241-R244 PolarHBondContact O-N 3.1Å; R244-N246 PolarHBondContact O-N 2.98Å; R244-D247 IonicContact CZ-OD2 3.16Å; R244-D247 IonicContact NE-OD2 2.68Å; R244-D247 PolarHBondContact NE-OD2 2.91Å; R244-D247 IonicContact NH2-OD2 2.69Å; R244-D247 PolarHBondContact NH2-OD2 3.28Å; R244-D247 WeakPolarHBondContact O-CB 3.46Å; R244-D247 PolarHBondContact O-N 3.49Å; R244-V249 HydrophobicContact CB-CG2 4.24Å; R244-V249 VanDerWaalsContact O-CG2 3.32Å; R244-V249 WeakPolarHBondContact O-CG2 3.23Å
245	L	94.3	Very high	95.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.3	171	-71.7	171.5	0	0	0	112.5	F143 Y241 D243 D247 P251 S267 W300 M301	F143-L245 HydrophobicContact CE1-CD1 3.7Å; F143-L245 HydrophobicContact CZ-CD1 3.48Å; F143-L245 VanDerWaalsContact CZ-CD1 3.48Å; Y241-L245 HydrophobicContact CD2-CD1 4.32Å; Y241-L245 HydrophobicContact CD2-CG 4.46Å; Y241-L245 HydrophobicContact CE1-CD1 4.15Å; Y241-L245 HydrophobicContact CE2-CD1 3.86Å; Y241-L245 HydrophobicContact CE2-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CG 4.23Å; Y241-L245 WeakPolarHBondContact O-CG 3.46Å; Y241-L245 PolarHBondContact O-N 2.87Å; D243-L245 VanDerWaalsContact C-N 3.31Å; D243-L245 PolarHBondContact O-N 3.08Å; L245-D247 VanDerWaalsContact C-N 3.31Å; L245-P251 HydrophobicContact CD2-CG 3.71Å; L245-P251 HydrophobicContact CG-CG 4.17Å; L245-S267 WeakPolarHBondContact CD2-O 3.26Å; L245-W300 HydrophobicContact CB-CH2 4Å; L245-W300 HydrophobicContact CB-CZ2 3.86Å; L245-W300 HydrophobicContact CD1-CH2 4.28Å; L245-W300 HydrophobicContact CD1-CZ2 4.23Å; L245-W300 HydrophobicContact CD2-CZ2 3.72Å; L245-W300 HydrophobicContact CG-CZ2 4.15Å; L245-M301 WeakPolarHBondContact O-CE 3.14Å
246	N	91.3	Very high	95.5	Very high	80 Å²	80	14.7 Å²	14.7	43%	0.428	7%	0.07	S	C	.	.	G	3₁₀ helix	trans	-80.3	-12.1	177.4	-62.8	-41.1	0	0	0	113.1	D243 R244 L248 S306	D243-N246 WeakPolarHBondContact O-CB 2.89Å; D243-N246 PolarHBondContact O-N 3.37Å; D243-N246 VanDerWaalsContact O-N 3.14Å; R244-N246 PolarHBondContact O-N 2.98Å; N246-L248 VanDerWaalsContact C-N 3.27Å; N246-L248 PolarHBondContact O-N 3.16Å; N246-S306 PolarHBondContact ND2-O 2.96Å
247	D	92.2	Very high	95.5	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.107	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-88.8	12.1	177.4	-63.2	-40.2	0	0	0	112.7	V218 R219 R244 L245 V249	V218-D247 HydrophobicContact CG1-CB 4.34Å; R219-D247 VanDerWaalsContact CA-O 3.26Å; R219-D247 WeakPolarHBondContact CA-O 3.21Å; R219-D247 HydrophobicContact CB-CB 4.08Å; R219-D247 VanDerWaalsContact CB-O 3.23Å; R219-D247 WeakPolarHBondContact CB-O 3.33Å; R219-D247 VanDerWaalsContact CG-O 3.28Å; R219-D247 WeakPolarHBondContact CG-O 3.47Å; R244-D247 IonicContact CZ-OD2 3.16Å; R244-D247 IonicContact NE-OD2 2.68Å; R244-D247 PolarHBondContact NE-OD2 2.91Å; R244-D247 IonicContact NH2-OD2 2.69Å; R244-D247 PolarHBondContact NH2-OD2 3.28Å; R244-D247 WeakPolarHBondContact O-CB 3.46Å; R244-D247 PolarHBondContact O-N 3.49Å; L245-D247 VanDerWaalsContact C-N 3.31Å; D247-V249 HydrophobicContact CB-CG2 4.29Å; D247-V249 PolarHBondContact O-N 3.37Å
248	L	93.5	Very high	95.4	Very high	14 Å²	14	20.3 Å²	20.3	7%	0.073	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	40.2	179.6	-54.8	-176.5	0	0	0	113.3	L158 E161 K165 R219 N246 F298 M301	L158-L248 HydrophobicContact CD1-CB 4.18Å; L158-L248 HydrophobicContact CD1-CD1 3.8Å; L158-L248 HydrophobicContact CD1-CD2 4.15Å; L158-L248 HydrophobicContact CD1-CG 4.27Å; E161-L248 WeakPolarHBondContact OE1-CD1 3.18Å; K165-L248 PolarHBondContact NZ-O 3.39Å; R219-L248 VanDerWaalsContact NH2-CD1 3.25Å; N246-L248 VanDerWaalsContact C-N 3.27Å; N246-L248 PolarHBondContact O-N 3.16Å; L248-F298 HydrophobicContact CB-CE1 4.4Å; L248-M301 HydrophobicContact CD2-CE 3.78Å; L248-M301 HydrophobicContact CD2-SD 4.1Å
249	V	96.3	Very high	95.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.096	C	C	.	.			trans	-118.2	156.1	172.7	-62.3	0	0	0	0	109.6	V218 Y222 K223 R244 D247 P251	V218-V249 HydrophobicContact CG1-CG1 3.87Å; V218-V249 HydrophobicContact CG1-CG2 4.28Å; Y222-V249 WeakPolarHBondContact O-CG1 3.5Å; K223-V249 WeakPolarHBondContact O-CA 3.28Å; K223-V249 WeakPolarHBondContact O-CB 3.28Å; R244-V249 HydrophobicContact CB-CG2 4.24Å; R244-V249 VanDerWaalsContact O-CG2 3.32Å; R244-V249 WeakPolarHBondContact O-CG2 3.23Å; D247-V249 HydrophobicContact CB-CG2 4.29Å; D247-V249 PolarHBondContact O-N 3.37Å; V249-P251 WeakPolarHBondContact O-CD 3.42Å
250	V	98.2	Very high	95.6	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.2	173.6	-177.6	0	0	0	0	109.4	K223 F224 Y225 I269 Y294 Y297 F298	K223-V250 PolarHBondContact O-N 3.49Å; F224-V250 WeakPolarHBondContact CA-O 3.4Å; F224-V250 HydrophobicContact CD1-CB 3.87Å; F224-V250 HydrophobicContact CD1-CG1 4.4Å; F224-V250 HydrophobicContact CE1-CB 4.14Å; Y225-V250 PolarHBondContact N-O 3.42Å; Y225-V250 VanDerWaalsContact N-O 3.1Å; V250-I269 HydrophobicContact CG1-CD1 3.84Å; V250-I269 HydrophobicContact CG1-CG1 3.86Å; V250-Y294 HydrophobicContact CB-CE2 4.34Å; V250-Y294 HydrophobicContact CG2-CD2 4.3Å; V250-Y294 HydrophobicContact CG2-CE2 3.6Å; V250-Y297 HydrophobicContact CG1-CD1 3.83Å; V250-Y297 HydrophobicContact CG1-CE1 4.43Å; V250-Y297 HydrophobicContact CG1-CG 3.9Å; V250-Y297 HydrophobicContact CG2-CG 4.06Å; V250-F298 HydrophobicContact CG2-CE2 3.54Å; V250-F298 HydrophobicContact CG2-CZ 3.63Å
251	P	98.5	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.8	174.7	-22.9	35.3	0	0	0	112.5	Y225 A227 Y241 L245 V249 V253 S267 F268 I269	Y225-P251 CarbonylContact O-C 3.59Å; Y225-P251 VanDerWaalsContact O-CA 3.28Å; Y225-P251 WeakPolarHBondContact O-CA 3.35Å; A227-P251 HydrophobicContact CB-CB 4Å; Y241-P251 HydrophobicContact CD2-CB 3.93Å; Y241-P251 HydrophobicContact CD2-CG 3.91Å; Y241-P251 HydrophobicContact CE2-CB 4.44Å; Y241-P251 HydrophobicContact CE2-CG 4.25Å; L245-P251 HydrophobicContact CD2-CG 3.71Å; L245-P251 HydrophobicContact CG-CG 4.17Å; V249-P251 WeakPolarHBondContact O-CD 3.42Å; P251-V253 HydrophobicContact CB-CG1 4.29Å; P251-S267 VanDerWaalsContact CD-O 3.32Å; P251-S267 WeakPolarHBondContact CD-O 3.23Å; P251-F268 HydrophobicContact CB-CB 4.49Å; P251-F268 CarbonylContact O-C 3.59Å; P251-F268 VanDerWaalsContact O-CA 3.32Å; P251-F268 WeakPolarHBondContact O-CA 3.39Å; P251-I269 PolarHBondContact O-N 2.72Å
252	I	98.8	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.1	167	-54	166.2	0	0	0	107.5	I169 F224 Y225 I226 A227 F228 I269 L280 L284	I169-I252 HydrophobicContact CD1-CD1 4.34Å; I169-I252 HydrophobicContact CG2-CD1 4.19Å; F224-I252 HydrophobicContact CB-CD1 3.77Å; F224-I252 HydrophobicContact CB-CG1 4.19Å; F224-I252 HydrophobicContact CG-CD1 4.38Å; Y225-I252 PolarHBondContact O-N 3.42Å; I226-I252 HydrophobicContact CG1-CB 4.44Å; I226-I252 HydrophobicContact CG1-CD1 4.15Å; A227-I252 PolarHBondContact N-O 3.47Å; F228-I252 HydrophobicContact CE1-CG2 3.83Å; F228-I252 HydrophobicContact CZ-CG2 3.92Å; I252-I269 CarbonylContact C-O 3.57Å; I252-I269 VanDerWaalsContact CA-O 3.31Å; I252-I269 WeakPolarHBondContact CA-O 3.45Å; I252-L280 HydrophobicContact CG2-CD2 4.1Å; I252-L284 HydrophobicContact CD1-CD1 3.58Å; I252-L284 HydrophobicContact CD1-CD2 4.06Å; I252-L284 HydrophobicContact CD1-CG 4.49Å; I252-L284 HydrophobicContact CG1-CD2 4.37Å
253	V	98.6	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	168.7	-173	-58.5	0	0	0	0	110.8	A227 F228 Y241 P251 Y259 F268 I269 A270 A271	A227-V253 HydrophobicContact CB-CG1 4.15Å; F228-V253 WeakPolarHBondContact CE1-O 2.96Å; Y241-V253 HydrophobicContact CD2-CG1 4.38Å; P251-V253 HydrophobicContact CB-CG1 4.29Å; V253-Y259 HydrophobicContact CB-CD1 4.11Å; V253-Y259 HydrophobicContact CB-CD2 3.84Å; V253-Y259 HydrophobicContact CB-CE1 3.78Å; V253-Y259 HydrophobicContact CB-CE2 3.53Å; V253-Y259 HydrophobicContact CB-CG 4.12Å; V253-Y259 VanDerWaalsContact CB-CZ 3.48Å; V253-Y259 HydrophobicContact CG1-CD1 3.71Å; V253-Y259 HydrophobicContact CG1-CD2 4.37Å; V253-Y259 HydrophobicContact CG1-CE1 3.34Å; V253-Y259 HydrophobicContact CG1-CE2 4.1Å; V253-Y259 HydrophobicContact CG1-CG 4.2Å; V253-Y259 HydrophobicContact CG2-CD1 4.27Å; V253-Y259 HydrophobicContact CG2-CD2 3.71Å; V253-Y259 HydrophobicContact CG2-CE1 4.43Å; V253-Y259 HydrophobicContact CG2-CE2 3.94Å; V253-Y259 HydrophobicContact CG2-CG 3.9Å; V253-F268 HydrophobicContact CG1-CB 4.12Å; V253-F268 HydrophobicContact CG2-CB 4.1Å; V253-F268 HydrophobicContact CG2-CD2 3.43Å; V253-F268 VanDerWaalsContact CG2-CD2 3.43Å; V253-F268 HydrophobicContact CG2-CE2 4.13Å; V253-F268 HydrophobicContact CG2-CG 3.94Å; V253-I269 PolarHBondContact N-O 3.33Å; V253-A270 HydrophobicContact CG2-CB 4.05Å; V253-A270 CarbonylContact O-C 3.37Å; V253-A270 WeakPolarHBondContact O-CA 3.39Å; V253-A271 WeakPolarHBondContact O-CB 3.04Å; V253-A271 PolarHBondContact O-N 3.46Å
254	F	97.8	Very high	95.7	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.013	14%	0.136	C	C	.	.	S	Bend	trans	-78.9	-75.1	-177.7	-95.8	-43.6	0	0	0	113.5	R182 Y185 F228 V232 A271 D272 Y356 V360	R182-F254 HydrophobicContact CB-CE2 3.64Å; R182-F254 HydrophobicContact CB-CZ 3.87Å; Y185-F254 HydrophobicContact CD1-CE1 4.25Å; Y185-F254 HydrophobicContact CD2-CE1 4.11Å; Y185-F254 AromaticContact CG-CE1 3.86Å; Y185-F254 HydrophobicContact CG-CE1 3.86Å; Y185-F254 HydrophobicContact CG-CZ 4.36Å; F228-F254 HydrophobicContact CB-CD2 4.04Å; F228-F254 HydrophobicContact CB-CE2 3.82Å; F228-F254 HydrophobicContact CB-CZ 4.34Å; F228-F254 HydrophobicContact CD1-CD1 4.05Å; F228-F254 HydrophobicContact CD1-CD2 4.04Å; F228-F254 HydrophobicContact CD1-CE1 4.21Å; F228-F254 HydrophobicContact CD1-CE2 4.25Å; F228-F254 AromaticContact CD1-CG 3.93Å; F228-F254 HydrophobicContact CD1-CG 3.93Å; F228-F254 HydrophobicContact CD1-CZ 4.31Å; F228-F254 HydrophobicContact CD2-CE1 4.27Å; F228-F254 HydrophobicContact CD2-CE2 4.31Å; F228-F254 AromaticContact CD2-CZ 3.96Å; F228-F254 HydrophobicContact CD2-CZ 3.96Å; F228-F254 HydrophobicContact CE1-CD1 4.04Å; F228-F254 HydrophobicContact CE1-CE1 4.2Å; F228-F254 HydrophobicContact CE1-CG 4.33Å; F228-F254 HydrophobicContact CE2-CE1 4.29Å; F228-F254 HydrophobicContact CE2-CZ 4.38Å; F228-F254 HydrophobicContact CG-CD1 4.5Å; F228-F254 HydrophobicContact CG-CD2 4.08Å; F228-F254 HydrophobicContact CG-CE1 4.27Å; F228-F254 AromaticContact CG-CE2 3.88Å; F228-F254 HydrophobicContact CG-CE2 3.88Å; F228-F254 HydrophobicContact CG-CG 4.39Å; F228-F254 AromaticContact CG-CZ 3.95Å; F228-F254 HydrophobicContact CG-CZ 3.95Å; F228-F254 HydrophobicContact CZ-CD1 4.49Å; F228-F254 HydrophobicContact CZ-CE1 4.25Å; V232-F254 HydrophobicContact CG2-CB 4.2Å; V232-F254 HydrophobicContact CG2-CD2 3.54Å; V232-F254 HydrophobicContact CG2-CE2 4.23Å; V232-F254 HydrophobicContact CG2-CG 4.16Å; F254-A271 HydrophobicContact CD1-CB 4.16Å; F254-A271 PolarHBondContact O-N 3.49Å; F254-D272 PolarHBondContact O-N 3.41Å; F254-Y356 HydrophobicContact CB-CD1 4Å; F254-Y356 HydrophobicContact CB-CE1 3.69Å; F254-Y356 AromaticContact CD1-CD1 3.82Å; F254-Y356 HydrophobicContact CD1-CD1 3.82Å; F254-Y356 AromaticContact CD1-CE1 3.8Å; F254-Y356 HydrophobicContact CD1-CE1 3.8Å; F254-Y356 HydrophobicContact CD2-CD1 4.2Å; F254-Y356 HydrophobicContact CE1-CD1 4.36Å; F254-Y356 AromaticContact CG-CD1 3.76Å; F254-Y356 HydrophobicContact CG-CD1 3.76Å; F254-Y356 AromaticContact CG-CE1 3.85Å; F254-Y356 HydrophobicContact CG-CE1 3.85Å; F254-V360 HydrophobicContact CD1-CG2 4Å; F254-V360 HydrophobicContact CE1-CG2 3.83Å
255	G	95.6	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.			trans	-108.1	117.8	-171.4	0	0	0	0	0	112.7	K257 I258 Y259 D272	G255-K257 VanDerWaalsContact C-N 3.26Å; G255-K257 PolarHBondContact O-N 3.05Å; G255-I258 PolarHBondContact O-N 3.08Å; G255-I258 VanDerWaalsContact O-N 3.15Å; G255-Y259 WeakPolarHBondContact O-CD2 3.12Å; G255-D272 VanDerWaalsContact CA-OD2 3.27Å; G255-D272 WeakPolarHBondContact CA-OD2 3.29Å
256	R	97.7	Very high	95.4	Very high	45 Å²	45	33.1 Å²	33.1	17%	0.17	17%	0.174	C	C	.	.	H	α-helix	trans	-50	-45.9	-176.3	174	167.4	-68.9	-77.6	-2	112.9	I258 Y259 E260 N265 F268 A270 D272 D273	R256-I258 PolarHBondContact O-N 2.8Å; R256-Y259 PolarHBondContact O-N 2.78Å; R256-E260 PolarHBondContact O-N 3.02Å; R256-N265 PolarHBondContact NH1-O 2.73Å; R256-N265 VanDerWaalsContact NH1-O 3.16Å; R256-N265 PolarHBondContact NH1-OD1 2.85Å; R256-F268 HydrophobicContact CG-CE2 4.22Å; R256-F268 HydrophobicContact CG-CZ 4.48Å; R256-A270 HydrophobicContact CB-CB 3.66Å; R256-D272 PolarHBondContact N-OD1 3.2Å; R256-D272 VanDerWaalsContact N-OD1 3.14Å; R256-D272 PolarHBondContact N-OD2 3.31Å; R256-D273 IonicContact CZ-OD1 2.73Å; R256-D273 IonicContact CZ-OD2 2.8Å; R256-D273 VanDerWaalsContact CZ-OD2 3.27Å; R256-D273 IonicContact NE-OD1 3.99Å; R256-D273 PolarHBondContact NE-OD1 2.95Å; R256-D273 IonicContact NE-OD2 2.78Å; R256-D273 PolarHBondContact NE-OD2 2.97Å; R256-D273 VanDerWaalsContact NE-OD2 3.07Å; R256-D273 IonicContact NH2-OD1 2.85Å; R256-D273 IonicContact NH2-OD2 3.99Å; R256-D273 PolarHBondContact NH2-OD2 3.32Å
257	K	96.6	Very high	95.6	Very high	111 Å²	111	29.3 Å²	29.3	48%	0.483	15%	0.154	S	C	.	.	H	α-helix	trans	-56.2	-33.2	-176.5	-175	175.2	177.1	-179	0	114.6	G255 E260 L363	G255-K257 VanDerWaalsContact C-N 3.26Å; G255-K257 PolarHBondContact O-N 3.05Å; K257-E260 WeakPolarHBondContact CA-OE1 3.22Å; K257-L363 HydrophobicContact CB-CB 4.43Å; K257-L363 VanDerWaalsContact CD-C 3.47Å; K257-L363 HydrophobicContact CD-CB 4.35Å; K257-L363 WeakPolarHBondContact CD-O 3.29Å; K257-L363 VanDerWaalsContact NZ-C 3.29Å; K257-L363 PolarHBondContact NZ-O 3.21Å; K257-L363 VanDerWaalsContact NZ-O 3.09Å; K257-L363 PolarHBondContact NZ-OXT 3.01Å
258	I	96.8	Very high	95.9	Very high	17 Å²	17	28.4 Å²	28.4	9%	0.087	15%	0.149	C	C	.	.	H	α-helix	trans	-69.8	-40.2	177.7	-66.6	169.9	0	0	0	110.1	V232 V237 G255 R256 L363	V232-I258 HydrophobicContact CG1-CD1 3.71Å; V237-I258 HydrophobicContact CG2-CG2 3.69Å; G255-I258 PolarHBondContact O-N 3.08Å; G255-I258 VanDerWaalsContact O-N 3.15Å; R256-I258 PolarHBondContact O-N 2.8Å; I258-L363 HydrophobicContact CD1-CD1 3.51Å; I258-L363 HydrophobicContact CG1-CD1 3.99Å
259	Y	97.3	Very high	96.2	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-88.4	-34.1	-171.4	-68.8	-100.9	0	0	0	112.7	V237 Y241 V253 G255 R256 A261 I262 G263 F268	V237-Y259 HydrophobicContact CB-CE1 4.3Å; V237-Y259 HydrophobicContact CG1-CD1 3.92Å; V237-Y259 HydrophobicContact CG1-CE1 3.63Å; V237-Y259 HydrophobicContact CG2-CD1 3.88Å; V237-Y259 HydrophobicContact CG2-CE1 3.77Å; V237-Y259 HydrophobicContact CG2-CE2 4.39Å; V237-Y259 HydrophobicContact CG2-CG 4.27Å; Y241-Y259 HydrophobicContact CD1-CD1 4.17Å; Y241-Y259 HydrophobicContact CD1-CE1 4.4Å; Y241-Y259 HydrophobicContact CD2-CD1 4.14Å; Y241-Y259 HydrophobicContact CD2-CE1 4.27Å; Y241-Y259 HydrophobicContact CE1-CD1 4.31Å; Y241-Y259 HydrophobicContact CE2-CD1 4.35Å; Y241-Y259 HydrophobicContact CG-CD1 4.04Å; Y241-Y259 AromaticContact CG-CE1 3.99Å; Y241-Y259 HydrophobicContact CG-CE1 3.99Å; V253-Y259 HydrophobicContact CB-CD1 4.11Å; V253-Y259 HydrophobicContact CB-CD2 3.84Å; V253-Y259 HydrophobicContact CB-CE1 3.78Å; V253-Y259 HydrophobicContact CB-CE2 3.53Å; V253-Y259 HydrophobicContact CB-CG 4.12Å; V253-Y259 VanDerWaalsContact CB-CZ 3.48Å; V253-Y259 HydrophobicContact CG1-CD1 3.71Å; V253-Y259 HydrophobicContact CG1-CD2 4.37Å; V253-Y259 HydrophobicContact CG1-CE1 3.34Å; V253-Y259 HydrophobicContact CG1-CE2 4.1Å; V253-Y259 HydrophobicContact CG1-CG 4.2Å; V253-Y259 HydrophobicContact CG2-CD1 4.27Å; V253-Y259 HydrophobicContact CG2-CD2 3.71Å; V253-Y259 HydrophobicContact CG2-CE1 4.43Å; V253-Y259 HydrophobicContact CG2-CE2 3.94Å; V253-Y259 HydrophobicContact CG2-CG 3.9Å; G255-Y259 WeakPolarHBondContact O-CD2 3.12Å; R256-Y259 PolarHBondContact O-N 2.78Å; Y259-A261 PolarHBondContact O-N 2.83Å; Y259-I262 PolarHBondContact O-N 3.26Å; Y259-G263 PolarHBondContact O-N 2.96Å; Y259-F268 VanDerWaalsContact CB-CE1 3.48Å; Y259-F268 VanDerWaalsContact CB-CZ 3.5Å
260	E	96.2	Very high	96.3	Very high	97 Å²	97	27.7 Å²	27.7	45%	0.453	15%	0.146	S	C	.	.	H	α-helix	trans	-64.2	-25.1	176.5	73.4	-172.9	178.6	0	0	112.7	R256 K257 I262 F268	R256-E260 PolarHBondContact O-N 3.02Å; K257-E260 WeakPolarHBondContact CA-OE1 3.22Å; E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 3.33Å; E260-F268 HydrophobicContact CB-CZ 4.4Å
261	A	93.8	Very high	96.3	Very high	43 Å²	43	27.6 Å²	27.6	36%	0.355	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.3	175.9	0	0	0	0	0	113.7	R132 Y259	R132-A261 PolarHBondContact NH1-O 3.33Å; Y259-A261 PolarHBondContact O-N 2.83Å
262	I	94.6	Very high	96.3	Very high	44 Å²	44	28 Å²	28	23%	0.226	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-40.7	-171.1	-70.9	173.2	0	0	0	111.8	F143 D235 V237 F242 Y259 E260	F143-I262 WeakPolarHBondContact CD2-O 3.46Å; D235-I262 HydrophobicContact CB-CD1 4.42Å; V237-I262 HydrophobicContact CB-CD1 3.95Å; V237-I262 HydrophobicContact CG2-CD1 3.49Å; V237-I262 VanDerWaalsContact CG2-CD1 3.49Å; F242-I262 HydrophobicContact CE1-CG2 4.04Å; F242-I262 HydrophobicContact CZ-CG2 3.58Å; Y259-I262 PolarHBondContact O-N 3.26Å; E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 3.33Å
263	G	93.8	Very high	96.3	Very high	10 Å²	10	31 Å²	31	10%	0.103	16%	0.163	C	C	.	.	S	Bend	trans	-133.5	172.6	-175.3	0	0	0	0	0	113.6	Y259 N265	Y259-G263 PolarHBondContact O-N 2.96Å; G263-N265 PolarHBondContact O-N 3.25Å
264	P	95.4	Very high	96.3	Very high	36 Å²	36	32.7 Å²	32.7	23%	0.234	17%	0.171	C	C	.	.			trans	-61.8	134.5	-177.3	-21.4	32.7	0	0	0	112.2	F143 N266 S267 F268 W300	F143-P264 HydrophobicContact CD1-CG 4.22Å; F143-P264 HydrophobicContact CE1-CG 4.13Å; F143-P264 VanDerWaalsContact CZ-CD 3.43Å; F143-P264 HydrophobicContact CZ-CG 4.47Å; P264-N266 PolarHBondContact O-N 3.28Å; P264-S267 WeakPolarHBondContact O-CB 3.46Å; P264-S267 PolarHBondContact O-N 2.88Å; P264-S267 PolarHBondContact O-OG 2.99Å; P264-F268 WeakPolarHBondContact O-CE1 3.48Å; P264-W300 HydrophobicContact CB-CB 3.57Å; P264-W300 HydrophobicContact CB-CG 4.16Å; P264-W300 HydrophobicContact CG-CB 3.85Å; P264-W300 HydrophobicContact CG-CD2 4.33Å; P264-W300 HydrophobicContact CG-CE3 4.21Å; P264-W300 HydrophobicContact CG-CG 4.21Å
265	N	86.1	Confident	96.2	Very high	81 Å²	81	41.5 Å²	41.5	43%	0.433	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.6	-173.3	-161.4	27.7	0	0	0	114.6	R256 G263	R256-N265 PolarHBondContact NH1-O 2.73Å; R256-N265 VanDerWaalsContact NH1-O 3.16Å; R256-N265 PolarHBondContact NH1-OD1 2.85Å; G263-N265 PolarHBondContact O-N 3.25Å
266	N	93.3	Very high	96.3	Very high	86 Å²	86	43.5 Å²	43.5	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	26.6	178.3	-74.6	-6.2	0	0	0	113.1	P264 Y297	P264-N266 PolarHBondContact O-N 3.28Å; N266-Y297 CarbonylContact O-C 3.59Å; N266-Y297 WeakPolarHBondContact O-CA 3.47Å; N266-Y297 VanDerWaalsContact O-O 3.08Å
267	S	97.4	Very high	96.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	22%	0.223	C	C	.	.	S	Bend	trans	-103.9	0.9	175.2	65	0	0	0	0	113.6	Y241 L245 P251 P264 W300	Y241-S267 PolarHBondContact OH-OG 3.33Å; L245-S267 WeakPolarHBondContact CD2-O 3.26Å; P251-S267 VanDerWaalsContact CD-O 3.32Å; P251-S267 WeakPolarHBondContact CD-O 3.23Å; P264-S267 WeakPolarHBondContact O-CB 3.46Å; P264-S267 PolarHBondContact O-N 2.88Å; P264-S267 PolarHBondContact O-OG 2.99Å; S267-W300 VanDerWaalsContact CB-CD1 3.4Å
268	F	98.3	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.			trans	-152	163.8	-178	58.4	-94.8	0	0	0	111.6	Y241 P251 V253 R256 Y259 E260 P264 A270 Y297	Y241-F268 HydrophobicContact CE2-CB 4.03Å; Y241-F268 HydrophobicContact CE2-CD1 4.04Å; Y241-F268 HydrophobicContact CE2-CG 4.45Å; P251-F268 HydrophobicContact CB-CB 4.49Å; P251-F268 CarbonylContact O-C 3.59Å; P251-F268 VanDerWaalsContact O-CA 3.32Å; P251-F268 WeakPolarHBondContact O-CA 3.39Å; V253-F268 HydrophobicContact CG1-CB 4.12Å; V253-F268 HydrophobicContact CG2-CB 4.1Å; V253-F268 HydrophobicContact CG2-CD2 3.43Å; V253-F268 VanDerWaalsContact CG2-CD2 3.43Å; V253-F268 HydrophobicContact CG2-CE2 4.13Å; V253-F268 HydrophobicContact CG2-CG 3.94Å; R256-F268 HydrophobicContact CG-CE2 4.22Å; R256-F268 HydrophobicContact CG-CZ 4.48Å; Y259-F268 VanDerWaalsContact CB-CE1 3.48Å; Y259-F268 VanDerWaalsContact CB-CZ 3.5Å; E260-F268 HydrophobicContact CB-CZ 4.4Å; P264-F268 WeakPolarHBondContact O-CE1 3.48Å; F268-A270 HydrophobicContact CD2-CB 4.35Å; F268-A270 HydrophobicContact CE2-CB 4.27Å; F268-Y297 WeakPolarHBondContact O-CE1 3.49Å
269	I	98.6	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.7	169.5	-64	167.9	0	0	0	107.9	F224 V250 P251 I252 V253 F274 L280 Y283 L284 L287 Y297	F224-I269 HydrophobicContact CD1-CD1 3.96Å; F224-I269 HydrophobicContact CE1-CD1 3.62Å; V250-I269 HydrophobicContact CG1-CD1 3.84Å; V250-I269 HydrophobicContact CG1-CG1 3.86Å; P251-I269 PolarHBondContact O-N 2.72Å; I252-I269 CarbonylContact C-O 3.57Å; I252-I269 VanDerWaalsContact CA-O 3.31Å; I252-I269 WeakPolarHBondContact CA-O 3.45Å; V253-I269 PolarHBondContact N-O 3.33Å; I269-F274 HydrophobicContact CG2-CE2 3.67Å; I269-F274 HydrophobicContact CG2-CZ 4.03Å; I269-L280 HydrophobicContact CG2-CD1 3.8Å; I269-Y283 HydrophobicContact CD1-CD1 4.48Å; I269-Y283 HydrophobicContact CD1-CE1 3.98Å; I269-Y283 HydrophobicContact CG1-CE1 4.28Å; I269-Y283 HydrophobicContact CG2-CD1 4.36Å; I269-Y283 HydrophobicContact CG2-CE1 4.28Å; I269-L284 HydrophobicContact CD1-CD2 3.66Å; I269-L287 HydrophobicContact CD1-CD1 3.62Å; I269-Y297 HydrophobicContact CD1-CE1 4.45Å; I269-Y297 HydrophobicContact CD1-CE2 4.34Å; I269-Y297 HydrophobicContact CG1-CD1 4.35Å; I269-Y297 HydrophobicContact CG1-CE1 3.63Å; I269-Y297 HydrophobicContact CG1-CE2 4.31Å
270	A	98.5	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.9	179.2	0	0	0	0	0	111.2	V253 R256 F268 D272 D273 F274	V253-A270 HydrophobicContact CG2-CB 4.05Å; V253-A270 CarbonylContact O-C 3.37Å; V253-A270 WeakPolarHBondContact O-CA 3.39Å; R256-A270 HydrophobicContact CB-CB 3.66Å; F268-A270 HydrophobicContact CD2-CB 4.35Å; F268-A270 HydrophobicContact CE2-CB 4.27Å; A270-D272 WeakPolarHBondContact CB-OD1 3.39Å; A270-D272 PolarHBondContact O-N 2.78Å; A270-D273 WeakPolarHBondContact O-CB 3.21Å; A270-D273 PolarHBondContact O-N 2.78Å; A270-D273 VanDerWaalsContact O-N 3.16Å; A270-F274 VanDerWaalsContact O-CD2 3.3Å; A270-F274 WeakPolarHBondContact O-CD2 3.48Å; A270-F274 VanDerWaalsContact O-CE2 3.25Å; A270-F274 WeakPolarHBondContact O-CE2 3.48Å
271	A	98.7	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-62.9	-31	179.2	0	0	0	0	0	112.1	Y185 F228 V253 F254 D273 F274 L280 V360	Y185-A271 HydrophobicContact CE1-CB 4.17Å; F228-A271 HydrophobicContact CE1-CB 4.19Å; F228-A271 HydrophobicContact CZ-CB 4.31Å; V253-A271 WeakPolarHBondContact O-CB 3.04Å; V253-A271 PolarHBondContact O-N 3.46Å; F254-A271 HydrophobicContact CD1-CB 4.16Å; F254-A271 PolarHBondContact O-N 3.49Å; A271-D273 PolarHBondContact O-N 2.99Å; A271-F274 PolarHBondContact O-N 3.3Å; A271-L280 HydrophobicContact CB-CD2 4.29Å; A271-V360 HydrophobicContact CB-CG1 4.46Å
272	D	98.1	Very high	97	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-73.3	-5.2	177.4	78.4	-10.4	0	0	0	114.6	F254 G255 R256 A270 Y356 V360 K362	F254-D272 PolarHBondContact O-N 3.41Å; G255-D272 VanDerWaalsContact CA-OD2 3.27Å; G255-D272 WeakPolarHBondContact CA-OD2 3.29Å; R256-D272 PolarHBondContact N-OD1 3.2Å; R256-D272 VanDerWaalsContact N-OD1 3.14Å; R256-D272 PolarHBondContact N-OD2 3.31Å; A270-D272 WeakPolarHBondContact CB-OD1 3.39Å; A270-D272 PolarHBondContact O-N 2.78Å; D272-Y356 WeakPolarHBondContact CB-OH 3.44Å; D272-V360 HydrophobicContact CB-CG1 3.71Å; D272-K362 HydrophobicContact CB-CD 4.2Å; D272-K362 WeakPolarHBondContact O-CD 3.36Å; D272-K362 WeakPolarHBondContact O-CE 3.13Å; D272-K362 PolarHBondContact O-NZ 3.26Å; D272-K362 VanDerWaalsContact O-NZ 3.13Å; D272-K362 IonicContact OD1-NZ 3.43Å; D272-K362 PolarHBondContact OD1-NZ 3.07Å; D272-K362 IonicContact OD2-NZ 2.69Å
273	D	98.2	Very high	97.2	Very high	63 Å²	63	40.7 Å²	40.7	34%	0.337	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-74.4	-11.9	168.9	-65.6	-37.4	0	0	0	112.7	R256 A270 A271 K362	R256-D273 IonicContact CZ-OD1 2.73Å; R256-D273 IonicContact CZ-OD2 2.8Å; R256-D273 VanDerWaalsContact CZ-OD2 3.27Å; R256-D273 IonicContact NE-OD1 3.99Å; R256-D273 PolarHBondContact NE-OD1 2.95Å; R256-D273 IonicContact NE-OD2 2.78Å; R256-D273 PolarHBondContact NE-OD2 2.97Å; R256-D273 VanDerWaalsContact NE-OD2 3.07Å; R256-D273 IonicContact NH2-OD1 2.85Å; R256-D273 IonicContact NH2-OD2 3.99Å; R256-D273 PolarHBondContact NH2-OD2 3.32Å; A270-D273 WeakPolarHBondContact O-CB 3.21Å; A270-D273 PolarHBondContact O-N 2.78Å; A270-D273 VanDerWaalsContact O-N 3.16Å; A271-D273 PolarHBondContact O-N 2.99Å; D273-K362 IonicContact OD1-NZ 3.27Å; D273-K362 PolarHBondContact OD1-NZ 2.88Å
274	F	98.5	Very high	97.4	Very high	36 Å²	36	40.2 Å²	40.2	16%	0.158	20%	0.201	C	C	.	.	S	Bend	trans	-117.2	145.4	-172.8	-55.5	-85.8	0	0	0	110.8	I269 A270 A271 S276 E279 L280 Y283	I269-F274 HydrophobicContact CG2-CE2 3.67Å; I269-F274 HydrophobicContact CG2-CZ 4.03Å; A270-F274 VanDerWaalsContact O-CD2 3.3Å; A270-F274 WeakPolarHBondContact O-CD2 3.48Å; A270-F274 VanDerWaalsContact O-CE2 3.25Å; A270-F274 WeakPolarHBondContact O-CE2 3.48Å; A271-F274 PolarHBondContact O-N 3.3Å; F274-S276 PolarHBondContact O-N 2.87Å; F274-E279 HydrophobicContact CB-CB 4.1Å; F274-E279 HydrophobicContact CD1-CB 4.27Å; F274-L280 HydrophobicContact CB-CB 4.14Å; F274-L280 HydrophobicContact CD1-CB 4.41Å; F274-L280 HydrophobicContact CD2-CB 3.92Å; F274-L280 HydrophobicContact CD2-CD1 3.7Å; F274-L280 HydrophobicContact CD2-CG 4.33Å; F274-L280 HydrophobicContact CE2-CD1 3.5Å; F274-L280 VanDerWaalsContact CE2-CD1 3.5Å; F274-L280 HydrophobicContact CG-CB 3.87Å; F274-L280 HydrophobicContact CG-CD1 4.39Å; F274-L280 HydrophobicContact CZ-CD1 4.04Å; F274-Y283 VanDerWaalsContact CE1-CB 3.41Å; F274-Y283 AromaticContact CE1-CD1 3.76Å; F274-Y283 HydrophobicContact CE1-CD1 3.76Å; F274-Y283 HydrophobicContact CE1-CD2 4.15Å; F274-Y283 AromaticContact CE1-CG 3.5Å; F274-Y283 HydrophobicContact CE1-CG 3.5Å; F274-Y283 VanDerWaalsContact CE1-CG 3.5Å; F274-Y283 HydrophobicContact CE2-CD1 4.43Å; F274-Y283 AromaticContact CZ-CD1 3.36Å; F274-Y283 HydrophobicContact CZ-CD1 3.36Å; F274-Y283 HydrophobicContact CZ-CD2 4.43Å; F274-Y283 AromaticContact CZ-CE1 3.94Å; F274-Y283 HydrophobicContact CZ-CE1 3.94Å; F274-Y283 AromaticContact CZ-CG 3.64Å; F274-Y283 HydrophobicContact CZ-CG 3.64Å
275	K	97.5	Very high	97.6	Very high	188 Å²	188	42.2 Å²	42.2	82%	0.817	21%	0.206	S	C	*	.	S	Bend	trans	-73.6	-18.7	-179.7	-61.1	175.9	178.2	175.2	0	113	E279	K275-E279 WeakPolarHBondContact CB-OE2 3.26Å; K275-E279 PolarHBondContact N-OE2 2.95Å
276	S	98	Very high	98.2	Very high	41 Å²	41	46.5 Å²	46.5	29%	0.287	22%	0.216	S	C	.	.	S	Bend	trans	-157.2	161.2	-179	67.9	0	0	0	0	112.4	F274 K278 E279 L280	F274-S276 PolarHBondContact O-N 2.87Å; S276-K278 PolarHBondContact O-N 2.7Å; S276-K278 PolarHBondContact OG-N 2.65Å; S276-E279 PolarHBondContact O-N 3.48Å; S276-E279 VanDerWaalsContact O-N 3.11Å; S276-E279 PolarHBondContact OG-N 2.84Å; S276-L280 PolarHBondContact O-N 3.47Å; S276-L280 VanDerWaalsContact O-N 3.15Å
277	P	98.5	Very high	98.4	Very high	26 Å²	26	42.6 Å²	42.6	17%	0.169	20%	0.195	C	C	.	.	H	α-helix	trans	-55.2	-30	169.3	-26	34.4	0	0	0	113.5	Y185 Q188 L189 A281	Y185-P277 HydrophobicContact CD2-CG 4.29Å; Y185-P277 HydrophobicContact CE2-CG 3.8Å; Q188-P277 HydrophobicContact CB-CB 4.08Å; Q188-P277 HydrophobicContact CB-CG 3.78Å; L189-P277 HydrophobicContact CB-CB 4.31Å; L189-P277 HydrophobicContact CD1-CB 4.37Å; L189-P277 VanDerWaalsContact CD1-O 3.25Å; L189-P277 WeakPolarHBondContact CD1-O 3.47Å; P277-A281 WeakPolarHBondContact O-CB 3.37Å; P277-A281 PolarHBondContact O-N 2.96Å
278	K	98.7	Very high	98.4	Very high	100 Å²	100	45.1 Å²	45.1	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-45.8	175.5	-174.7	-176	177.4	-63.3	0	111.7	S276 L280 A281 D282	S276-K278 PolarHBondContact O-N 2.7Å; S276-K278 PolarHBondContact OG-N 2.65Å; K278-L280 VanDerWaalsContact C-N 3.34Å; K278-L280 PolarHBondContact O-N 2.89Å; K278-A281 WeakPolarHBondContact O-CB 3.5Å; K278-A281 PolarHBondContact O-N 3.03Å; K278-D282 IonicContact NZ-OD2 2.7Å; K278-D282 PolarHBondContact NZ-OD2 3.38Å; K278-D282 VanDerWaalsContact O-CG 3.28Å; K278-D282 PolarHBondContact O-N 2.99Å
279	E	98.7	Very high	98.3	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-40	178.2	-75.9	-174.7	-171.7	0	0	111.8	F274 K275 S276 D282 Y283	F274-E279 HydrophobicContact CB-CB 4.1Å; F274-E279 HydrophobicContact CD1-CB 4.27Å; K275-E279 WeakPolarHBondContact CB-OE2 3.26Å; K275-E279 PolarHBondContact N-OE2 2.95Å; S276-E279 PolarHBondContact O-N 3.48Å; S276-E279 VanDerWaalsContact O-N 3.11Å; S276-E279 PolarHBondContact OG-N 2.84Å; E279-D282 PolarHBondContact O-N 3.22Å; E279-Y283 WeakPolarHBondContact O-CB 3.43Å; E279-Y283 PolarHBondContact O-N 3.43Å
280	L	98.8	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-48.8	170.8	173.2	61.2	0	0	0	110.5	Y185 L189 I252 I269 A271 F274 S276 K278 D282 Y283 L284	Y185-L280 HydrophobicContact CE1-CD2 3.96Å; L189-L280 HydrophobicContact CD1-CB 4.5Å; L189-L280 HydrophobicContact CD1-CD2 4.15Å; L189-L280 HydrophobicContact CD1-CG 4.25Å; L189-L280 HydrophobicContact CD2-CD2 4.33Å; I252-L280 HydrophobicContact CG2-CD2 4.1Å; I269-L280 HydrophobicContact CG2-CD1 3.8Å; A271-L280 HydrophobicContact CB-CD2 4.29Å; F274-L280 HydrophobicContact CB-CB 4.14Å; F274-L280 HydrophobicContact CD1-CB 4.41Å; F274-L280 HydrophobicContact CD2-CB 3.92Å; F274-L280 HydrophobicContact CD2-CD1 3.7Å; F274-L280 HydrophobicContact CD2-CG 4.33Å; F274-L280 HydrophobicContact CE2-CD1 3.5Å; F274-L280 VanDerWaalsContact CE2-CD1 3.5Å; F274-L280 HydrophobicContact CG-CB 3.87Å; F274-L280 HydrophobicContact CG-CD1 4.39Å; F274-L280 HydrophobicContact CZ-CD1 4.04Å; S276-L280 PolarHBondContact O-N 3.47Å; S276-L280 VanDerWaalsContact O-N 3.15Å; K278-L280 VanDerWaalsContact C-N 3.34Å; K278-L280 PolarHBondContact O-N 2.89Å; L280-D282 PolarHBondContact O-N 2.85Å; L280-Y283 WeakPolarHBondContact O-CB 3.4Å; L280-Y283 PolarHBondContact O-N 2.73Å; L280-L284 HydrophobicContact CD1-CD1 4.05Å; L280-L284 HydrophobicContact CD1-CD2 4.31Å; L280-L284 HydrophobicContact CD1-CG 4.02Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 HydrophobicContact CG-CG 4.42Å; L280-L284 VanDerWaalsContact O-CG 3.26Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 2.93Å
281	A	98.9	Very high	98.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-44.6	177.1	0	0	0	0	0	113	L189 H192 V193 P277 K278 Y283 L284 K285	L189-A281 HydrophobicContact CD1-CB 3.97Å; H192-A281 HydrophobicContact CB-CB 3.47Å; H192-A281 VanDerWaalsContact CB-CB 3.47Å; V193-A281 HydrophobicContact CB-CB 3.8Å; V193-A281 HydrophobicContact CG1-CB 3.7Å; P277-A281 WeakPolarHBondContact O-CB 3.37Å; P277-A281 PolarHBondContact O-N 2.96Å; K278-A281 WeakPolarHBondContact O-CB 3.5Å; K278-A281 PolarHBondContact O-N 3.03Å; A281-Y283 VanDerWaalsContact C-N 3.31Å; A281-Y283 PolarHBondContact O-N 3.24Å; A281-L284 PolarHBondContact O-N 3.44Å; A281-K285 WeakPolarHBondContact O-CG 3.41Å; A281-K285 PolarHBondContact O-N 3.23Å
282	D	98.8	Very high	98	Very high	56 Å²	56	63 Å²	63	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-37.6	178.4	-68.7	-23.2	0	0	0	111.1	K278 E279 L280 R286	K278-D282 IonicContact NZ-OD2 2.7Å; K278-D282 PolarHBondContact NZ-OD2 3.38Å; K278-D282 VanDerWaalsContact O-CG 3.28Å; K278-D282 PolarHBondContact O-N 2.99Å; E279-D282 PolarHBondContact O-N 3.22Å; L280-D282 PolarHBondContact O-N 2.85Å; D282-R286 WeakPolarHBondContact O-CG 3.29Å; D282-R286 PolarHBondContact O-N 2.91Å
283	Y	98.7	Very high	97.9	Very high	41 Å²	41	65.7 Å²	65.7	16%	0.161	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-47.9	172.7	-178.5	-108.5	0	0	0	112.6	I269 F274 E279 L280 A281 K285 R286 L287 Y297	I269-Y283 HydrophobicContact CD1-CD1 4.48Å; I269-Y283 HydrophobicContact CD1-CE1 3.98Å; I269-Y283 HydrophobicContact CG1-CE1 4.28Å; I269-Y283 HydrophobicContact CG2-CD1 4.36Å; I269-Y283 HydrophobicContact CG2-CE1 4.28Å; F274-Y283 VanDerWaalsContact CE1-CB 3.41Å; F274-Y283 AromaticContact CE1-CD1 3.76Å; F274-Y283 HydrophobicContact CE1-CD1 3.76Å; F274-Y283 HydrophobicContact CE1-CD2 4.15Å; F274-Y283 AromaticContact CE1-CG 3.5Å; F274-Y283 HydrophobicContact CE1-CG 3.5Å; F274-Y283 VanDerWaalsContact CE1-CG 3.5Å; F274-Y283 HydrophobicContact CE2-CD1 4.43Å; F274-Y283 AromaticContact CZ-CD1 3.36Å; F274-Y283 HydrophobicContact CZ-CD1 3.36Å; F274-Y283 HydrophobicContact CZ-CD2 4.43Å; F274-Y283 AromaticContact CZ-CE1 3.94Å; F274-Y283 HydrophobicContact CZ-CE1 3.94Å; F274-Y283 AromaticContact CZ-CG 3.64Å; F274-Y283 HydrophobicContact CZ-CG 3.64Å; E279-Y283 WeakPolarHBondContact O-CB 3.43Å; E279-Y283 PolarHBondContact O-N 3.43Å; L280-Y283 WeakPolarHBondContact O-CB 3.4Å; L280-Y283 PolarHBondContact O-N 2.73Å; A281-Y283 VanDerWaalsContact C-N 3.31Å; A281-Y283 PolarHBondContact O-N 3.24Å; Y283-K285 VanDerWaalsContact C-N 3.31Å; Y283-K285 PolarHBondContact O-N 3.44Å; Y283-R286 PolarHBondContact O-N 3.25Å; Y283-R286 VanDerWaalsContact O-N 3.1Å; Y283-L287 HydrophobicContact CD1-CD1 3.93Å; Y283-L287 HydrophobicContact CD1-CG 4.35Å; Y283-L287 HydrophobicContact CE1-CD1 3.28Å; Y283-L287 HydrophobicContact CE1-CG 3.88Å; Y283-L287 HydrophobicContact CE2-CD1 4.48Å; Y283-L287 HydrophobicContact CE2-CD2 4.44Å; Y283-L287 HydrophobicContact CE2-CG 4.24Å; Y283-L287 PolarHBondContact O-N 2.77Å; Y283-Y297 PolarHBondContact OH-OH 2.93Å
284	L	98.8	Very high	97.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-39.1	178.4	-63.6	173.5	0	0	0	111.8	I169 F224 I252 I269 L280 A281 L287 D288	I169-L284 HydrophobicContact CD1-CD1 3.55Å; I169-L284 HydrophobicContact CG1-CD1 4.48Å; F224-L284 HydrophobicContact CD1-CD2 3.66Å; F224-L284 HydrophobicContact CD2-CB 4.43Å; F224-L284 HydrophobicContact CD2-CD2 4.07Å; F224-L284 HydrophobicContact CE1-CD2 3.64Å; F224-L284 HydrophobicContact CE2-CB 4.13Å; F224-L284 HydrophobicContact CE2-CD2 4.03Å; F224-L284 HydrophobicContact CG-CD2 3.9Å; F224-L284 HydrophobicContact CZ-CB 4.48Å; F224-L284 HydrophobicContact CZ-CD2 3.83Å; I252-L284 HydrophobicContact CD1-CD1 3.58Å; I252-L284 HydrophobicContact CD1-CD2 4.06Å; I252-L284 HydrophobicContact CD1-CG 4.49Å; I252-L284 HydrophobicContact CG1-CD2 4.37Å; I269-L284 HydrophobicContact CD1-CD2 3.66Å; L280-L284 HydrophobicContact CD1-CD1 4.05Å; L280-L284 HydrophobicContact CD1-CD2 4.31Å; L280-L284 HydrophobicContact CD1-CG 4.02Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 HydrophobicContact CG-CG 4.42Å; L280-L284 VanDerWaalsContact O-CG 3.26Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 2.93Å; A281-L284 PolarHBondContact O-N 3.44Å; L284-L287 PolarHBondContact O-N 2.91Å; L284-D288 WeakPolarHBondContact O-CB 3.3Å; L284-D288 PolarHBondContact O-N 3.37Å
285	K	98.6	Very high	97.8	Very high	79 Å²	79	61.6 Å²	61.6	34%	0.343	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-32.3	174.1	-72.2	174	-175.2	173.7	0	113.4	L168 H192 A281 Y283 K289	L168-K285 HydrophobicContact CD2-CG 4.5Å; H192-K285 WeakPolarHBondContact O-CE 3.3Å; H192-K285 PolarHBondContact O-NZ 3.2Å; A281-K285 WeakPolarHBondContact O-CG 3.41Å; A281-K285 PolarHBondContact O-N 3.23Å; Y283-K285 VanDerWaalsContact C-N 3.31Å; Y283-K285 PolarHBondContact O-N 3.44Å; K285-K289 WeakPolarHBondContact O-CG 3.48Å
286	R	98.3	Very high	97.8	Very high	170 Å²	170	56.8 Å²	56.8	64%	0.642	27%	0.268	S	S	*	.	H	α-helix	trans	-70.2	-47.6	173.6	-75.2	-170.1	-63.1	162.1	-1.3	110.8	D282 Y283 D288 K289 D290	D282-R286 WeakPolarHBondContact O-CG 3.29Å; D282-R286 PolarHBondContact O-N 2.91Å; Y283-R286 PolarHBondContact O-N 3.25Å; Y283-R286 VanDerWaalsContact O-N 3.1Å; R286-D288 VanDerWaalsContact C-N 3.27Å; R286-D288 PolarHBondContact O-N 2.88Å; R286-K289 PolarHBondContact O-N 3.02Å; R286-K289 VanDerWaalsContact O-N 3.11Å; R286-D290 PolarHBondContact O-N 2.85Å
287	L	97.5	Very high	97.8	Very high	4 Å²	4	56 Å²	56	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-37.2	175.1	-74.6	-175.7	0	0	0	112.7	F224 I269 Y283 L284 K289 D290 Q293 Y297	F224-L287 HydrophobicContact CE1-CD1 4.01Å; F224-L287 HydrophobicContact CZ-CB 3.83Å; F224-L287 HydrophobicContact CZ-CD1 4.02Å; I269-L287 HydrophobicContact CD1-CD1 3.62Å; Y283-L287 HydrophobicContact CD1-CD1 3.93Å; Y283-L287 HydrophobicContact CD1-CG 4.35Å; Y283-L287 HydrophobicContact CE1-CD1 3.28Å; Y283-L287 HydrophobicContact CE1-CG 3.88Å; Y283-L287 HydrophobicContact CE2-CD1 4.48Å; Y283-L287 HydrophobicContact CE2-CD2 4.44Å; Y283-L287 HydrophobicContact CE2-CG 4.24Å; Y283-L287 PolarHBondContact O-N 2.77Å; L284-L287 PolarHBondContact O-N 2.91Å; L287-K289 PolarHBondContact O-N 3.22Å; L287-D290 CarbonylContact O-C 3.46Å; L287-D290 PolarHBondContact O-N 3.09Å; L287-D290 VanDerWaalsContact O-O 3.09Å; L287-Q293 HydrophobicContact CD2-CB 4.07Å; L287-Q293 HydrophobicContact CD2-CG 3.44Å; L287-Q293 VanDerWaalsContact CD2-CG 3.44Å; L287-Y297 HydrophobicContact CD1-CD2 4.37Å; L287-Y297 HydrophobicContact CD1-CE2 3.69Å; L287-Y297 HydrophobicContact CD2-CE2 4.19Å
288	D	97.2	Very high	97.7	Very high	55 Å²	55	54.9 Å²	54.9	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-56.6	-35.5	176.3	-178.4	44.5	0	0	0	112.7	L168 K223 L284 R286	L168-D288 HydrophobicContact CD1-CB 3.7Å; K223-D288 VanDerWaalsContact CD-OD1 3.22Å; K223-D288 WeakPolarHBondContact CD-OD1 3.46Å; K223-D288 WeakPolarHBondContact CE-OD1 3.4Å; K223-D288 PolarHBondContact NZ-O 3.21Å; K223-D288 IonicContact NZ-OD1 3.97Å; K223-D288 PolarHBondContact NZ-OD1 3.06Å; L284-D288 WeakPolarHBondContact O-CB 3.3Å; L284-D288 PolarHBondContact O-N 3.37Å; R286-D288 VanDerWaalsContact C-N 3.27Å; R286-D288 PolarHBondContact O-N 2.88Å
289	K	96.4	Very high	97.6	Very high	178 Å²	178	54.6 Å²	54.6	77%	0.774	25%	0.252	S	S	*	.	H	α-helix	trans	-88	-15.3	-178.5	-63.6	176.3	-177.2	-175.7	0	113.7	K285 R286 L287	K285-K289 WeakPolarHBondContact O-CG 3.48Å; R286-K289 PolarHBondContact O-N 3.02Å; R286-K289 VanDerWaalsContact O-N 3.11Å; L287-K289 PolarHBondContact O-N 3.22Å
290	D	96.8	Very high	97.4	Very high	73 Å²	73	51.7 Å²	51.7	39%	0.39	24%	0.237	S	C	.	.			trans	-117.4	91.5	-177.4	-173.1	-20.8	0	0	0	110	R286 L287 D292 Q293 Y294	R286-D290 PolarHBondContact O-N 2.85Å; L287-D290 CarbonylContact O-C 3.46Å; L287-D290 PolarHBondContact O-N 3.09Å; L287-D290 VanDerWaalsContact O-O 3.09Å; D290-D292 VanDerWaalsContact C-N 3.25Å; D290-D292 PolarHBondContact O-N 2.93Å; D290-D292 PolarHBondContact OD1-N 3.15Å; D290-D292 VanDerWaalsContact OD1-N 3.14Å; D290-Q293 HydrophobicContact CB-CB 4.05Å; D290-Q293 VanDerWaalsContact CG-CB 3.44Å; D290-Q293 PolarHBondContact O-N 2.73Å; D290-Q293 PolarHBondContact OD1-N 3.29Å; D290-Q293 WeakPolarHBondContact OD2-CB 3.33Å; D290-Y294 WeakPolarHBondContact O-CB 3.26Å; D290-Y294 PolarHBondContact O-N 3.01Å
291	V	95.9	Very high	97.3	Very high	35 Å²	35	52.4 Å²	52.4	21%	0.212	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-34.4	-178.7	176.1	0	0	0	0	111.5	R159 V162 Y294 L295	R159-V291 HydrophobicContact CG-CG1 4.02Å; V162-V291 HydrophobicContact CG1-CG1 4.49Å; V291-Y294 PolarHBondContact O-N 3.2Å; V291-L295 HydrophobicContact CG1-CD1 3.88Å; V291-L295 HydrophobicContact CG1-CG 4.14Å; V291-L295 WeakPolarHBondContact O-CB 3.29Å; V291-L295 WeakPolarHBondContact O-CG 3.12Å; V291-L295 PolarHBondContact O-N 3.49Å
292	D	96.5	Very high	97	Very high	90 Å²	90	54.9 Å²	54.9	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-69	-46.2	-179.1	-69.6	-33.6	0	0	0	110.9	R159 D290 Y294 L295 K296	R159-D292 IonicContact CZ-OD1 2.66Å; R159-D292 IonicContact NH1-OD1 3.27Å; R159-D292 PolarHBondContact NH1-OD1 2.79Å; R159-D292 IonicContact NH2-OD1 2.97Å; R159-D292 PolarHBondContact NH2-OD1 2.86Å; D290-D292 VanDerWaalsContact C-N 3.25Å; D290-D292 PolarHBondContact O-N 2.93Å; D290-D292 PolarHBondContact OD1-N 3.15Å; D290-D292 VanDerWaalsContact OD1-N 3.14Å; D292-Y294 VanDerWaalsContact C-N 3.31Å; D292-Y294 PolarHBondContact O-N 3.25Å; D292-L295 PolarHBondContact O-N 3.24Å; D292-K296 PolarHBondContact O-N 2.86Å
293	Q	97.2	Very high	96.8	Very high	64 Å²	64	58.8 Å²	58.8	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-35.5	175.8	-173	59.6	40.3	0	0	112.1	L287 D290 K296	L287-Q293 HydrophobicContact CD2-CB 4.07Å; L287-Q293 HydrophobicContact CD2-CG 3.44Å; L287-Q293 VanDerWaalsContact CD2-CG 3.44Å; D290-Q293 HydrophobicContact CB-CB 4.05Å; D290-Q293 VanDerWaalsContact CG-CB 3.44Å; D290-Q293 PolarHBondContact O-N 2.73Å; D290-Q293 PolarHBondContact OD1-N 3.29Å; D290-Q293 WeakPolarHBondContact OD2-CB 3.33Å; Q293-K296 WeakPolarHBondContact O-CB 3.2Å
294	Y	97.9	Very high	96.6	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-41.5	174.3	178.3	-89.6	0	0	0	112.2	V162 K223 F224 V250 D290 V291 D292 K296 Y297 F298	V162-Y294 HydrophobicContact CB-CD1 4.45Å; V162-Y294 HydrophobicContact CB-CE1 4.14Å; V162-Y294 HydrophobicContact CG1-CD1 3.37Å; V162-Y294 HydrophobicContact CG1-CE1 3.32Å; V162-Y294 HydrophobicContact CG1-CG 4.38Å; V162-Y294 HydrophobicContact CG2-CD1 4.26Å; V162-Y294 HydrophobicContact CG2-CE1 3.64Å; K223-Y294 WeakPolarHBondContact CA-OH 3.33Å; K223-Y294 HydrophobicContact CB-CE2 3.8Å; K223-Y294 HydrophobicContact CD-CE2 4.46Å; K223-Y294 HydrophobicContact CG-CE2 4.42Å; K223-Y294 PolarHBondContact O-OH 2.68Å; F224-Y294 HydrophobicContact CD1-CE2 4.29Å; F224-Y294 AromaticContact CE1-CD2 3.94Å; F224-Y294 HydrophobicContact CE1-CD2 3.94Å; F224-Y294 AromaticContact CE1-CE2 3.66Å; F224-Y294 HydrophobicContact CE1-CE2 3.66Å; F224-Y294 HydrophobicContact CE2-CE2 4.47Å; F224-Y294 AromaticContact CZ-CD2 3.8Å; F224-Y294 HydrophobicContact CZ-CD2 3.8Å; F224-Y294 AromaticContact CZ-CE2 3.76Å; F224-Y294 HydrophobicContact CZ-CE2 3.76Å; V250-Y294 HydrophobicContact CB-CE2 4.34Å; V250-Y294 HydrophobicContact CG2-CD2 4.3Å; V250-Y294 HydrophobicContact CG2-CE2 3.6Å; D290-Y294 WeakPolarHBondContact O-CB 3.26Å; D290-Y294 PolarHBondContact O-N 3.01Å; V291-Y294 PolarHBondContact O-N 3.2Å; D292-Y294 VanDerWaalsContact C-N 3.31Å; D292-Y294 PolarHBondContact O-N 3.25Å; Y294-K296 PolarHBondContact O-N 3.27Å; Y294-Y297 WeakPolarHBondContact O-CB 3.46Å; Y294-Y297 PolarHBondContact O-N 3.48Å; Y294-Y297 VanDerWaalsContact O-N 3.09Å; Y294-F298 AromaticContact CD1-CE2 3.84Å; Y294-F298 HydrophobicContact CD1-CE2 3.84Å; Y294-F298 HydrophobicContact CE1-CD2 4.24Å; Y294-F298 AromaticContact CE1-CE2 3.24Å; Y294-F298 HydrophobicContact CE1-CE2 3.24Å; Y294-F298 AromaticContact CE1-CZ 3.81Å; Y294-F298 HydrophobicContact CE1-CZ 3.81Å; Y294-F298 HydrophobicContact CE2-CE2 4.49Å; Y294-F298 AromaticContact CZ-CE2 3.63Å; Y294-F298 AromaticContact CZ-CZ 3.89Å
295	L	97.1	Very high	96.4	Very high	12 Å²	12	62 Å²	62	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-22.9	-179.7	-75.9	174.7	0	0	0	113.5	L158 R159 V162 V291 D292 Y297 F298	L158-L295 HydrophobicContact CD2-CD2 3.79Å; L158-L295 HydrophobicContact CG-CD2 3.73Å; R159-L295 HydrophobicContact CB-CD1 3.96Å; R159-L295 HydrophobicContact CG-CD1 4.15Å; V162-L295 HydrophobicContact CG2-CD2 4.21Å; V291-L295 HydrophobicContact CG1-CD1 3.88Å; V291-L295 HydrophobicContact CG1-CG 4.14Å; V291-L295 WeakPolarHBondContact O-CB 3.29Å; V291-L295 WeakPolarHBondContact O-CG 3.12Å; V291-L295 PolarHBondContact O-N 3.49Å; D292-L295 PolarHBondContact O-N 3.24Å; L295-Y297 PolarHBondContact O-N 3.3Å; L295-Y297 VanDerWaalsContact O-N 3.16Å; L295-F298 WeakPolarHBondContact O-CB 3.3Å; L295-F298 PolarHBondContact O-N 2.79Å
296	K	97.2	Very high	96.2	Very high	88 Å²	88	58.6 Å²	58.6	38%	0.383	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.8	-27.9	172.1	-65.4	179	-175.1	170.3	0	112.9	D292 Q293 Y294 F298 E299	D292-K296 PolarHBondContact O-N 2.86Å; Q293-K296 WeakPolarHBondContact O-CB 3.2Å; Y294-K296 PolarHBondContact O-N 3.27Å; K296-F298 PolarHBondContact O-N 2.83Å; K296-F298 VanDerWaalsContact O-N 3.17Å; K296-E299 PolarHBondContact O-N 3.01Å
297	Y	98	Very high	95.9	Very high	24 Å²	24	51.4 Å²	51.4	9%	0.094	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-71.4	-3.1	175.7	-75.7	-79.8	0	0	0	114.8	V250 N266 F268 I269 Y283 L287 Y294 L295 W300	V250-Y297 HydrophobicContact CG1-CD1 3.83Å; V250-Y297 HydrophobicContact CG1-CE1 4.43Å; V250-Y297 HydrophobicContact CG1-CG 3.9Å; V250-Y297 HydrophobicContact CG2-CG 4.06Å; N266-Y297 CarbonylContact O-C 3.59Å; N266-Y297 WeakPolarHBondContact O-CA 3.47Å; N266-Y297 VanDerWaalsContact O-O 3.08Å; F268-Y297 WeakPolarHBondContact O-CE1 3.49Å; I269-Y297 HydrophobicContact CD1-CE1 4.45Å; I269-Y297 HydrophobicContact CD1-CE2 4.34Å; I269-Y297 HydrophobicContact CG1-CD1 4.35Å; I269-Y297 HydrophobicContact CG1-CE1 3.63Å; I269-Y297 HydrophobicContact CG1-CE2 4.31Å; Y283-Y297 PolarHBondContact OH-OH 2.93Å; L287-Y297 HydrophobicContact CD1-CD2 4.37Å; L287-Y297 HydrophobicContact CD1-CE2 3.69Å; L287-Y297 HydrophobicContact CD2-CE2 4.19Å; Y294-Y297 WeakPolarHBondContact O-CB 3.46Å; Y294-Y297 PolarHBondContact O-N 3.48Å; Y294-Y297 VanDerWaalsContact O-N 3.09Å; L295-Y297 PolarHBondContact O-N 3.3Å; L295-Y297 VanDerWaalsContact O-N 3.16Å; Y297-W300 PolarHBondContact O-NE1 3.1Å
298	F	96.8	Very high	95.2	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-111.8	-6.5	177.8	-62.3	-90	0	0	0	112.2	W155 L158 L248 V250 Y294 L295 K296 W300 M301	W155-F298 HydrophobicContact CH2-CB 4.11Å; W155-F298 WeakPolarHBondContact CH2-O 3.11Å; W155-F298 HydrophobicContact CZ3-CB 4.06Å; L158-F298 HydrophobicContact CD2-CB 3.83Å; L158-F298 HydrophobicContact CD2-CD1 4.32Å; L158-F298 HydrophobicContact CD2-CG 3.97Å; L248-F298 HydrophobicContact CB-CE1 4.4Å; V250-F298 HydrophobicContact CG2-CE2 3.54Å; V250-F298 HydrophobicContact CG2-CZ 3.63Å; Y294-F298 AromaticContact CD1-CE2 3.84Å; Y294-F298 HydrophobicContact CD1-CE2 3.84Å; Y294-F298 HydrophobicContact CE1-CD2 4.24Å; Y294-F298 AromaticContact CE1-CE2 3.24Å; Y294-F298 HydrophobicContact CE1-CE2 3.24Å; Y294-F298 AromaticContact CE1-CZ 3.81Å; Y294-F298 HydrophobicContact CE1-CZ 3.81Å; Y294-F298 HydrophobicContact CE2-CE2 4.49Å; Y294-F298 AromaticContact CZ-CE2 3.63Å; Y294-F298 AromaticContact CZ-CZ 3.89Å; L295-F298 WeakPolarHBondContact O-CB 3.3Å; L295-F298 PolarHBondContact O-N 2.79Å; K296-F298 PolarHBondContact O-N 2.83Å; K296-F298 VanDerWaalsContact O-N 3.17Å; F298-W300 PolarHBondContact O-N 3.5Å; F298-W300 VanDerWaalsContact O-N 3.12Å; F298-M301 HydrophobicContact CB-SD 4.37Å; F298-M301 HydrophobicContact CD1-CE 3.68Å; F298-M301 HydrophobicContact CD1-SD 4.03Å; F298-M301 HydrophobicContact CE1-CE 4.27Å; F298-M301 WeakPolarHBondContact O-CB 3.42Å; F298-M301 VanDerWaalsContact O-CG 3.31Å; F298-M301 WeakPolarHBondContact O-CG 3.43Å; F298-M301 PolarHBondContact O-N 2.88Å
299	E	95.5	Very high	94.5	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.439	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.6	-177.4	-74.9	176.2	-177.7	0	0	113	W155 K296 M301 N302	W155-E299 HydrophobicContact CH2-CG 4.45Å; K296-E299 PolarHBondContact O-N 3.01Å; E299-M301 PolarHBondContact O-N 3.39Å; E299-M301 VanDerWaalsContact O-N 3.1Å; E299-N302 WeakPolarHBondContact O-CB 3.36Å; E299-N302 PolarHBondContact O-N 3.1Å; E299-N302 PolarHBondContact O-ND2 3.02Å
300	W	95.5	Very high	93.8	Very high	18 Å²	18	54.8 Å²	54.8	7%	0.068	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56.4	-26.2	174.2	69.4	-93.7	0	0	0	113	F143 L245 P264 S267 Y297 F298 N302 H303 A304	F143-W300 HydrophobicContact CD1-CE3 4.37Å; F143-W300 HydrophobicContact CD1-CZ3 4.06Å; F143-W300 HydrophobicContact CE1-CE3 4.14Å; F143-W300 HydrophobicContact CE1-CH2 4.24Å; F143-W300 AromaticContact CE1-CZ3 3.8Å; F143-W300 HydrophobicContact CE1-CZ3 3.8Å; L245-W300 HydrophobicContact CB-CH2 4Å; L245-W300 HydrophobicContact CB-CZ2 3.86Å; L245-W300 HydrophobicContact CD1-CH2 4.28Å; L245-W300 HydrophobicContact CD1-CZ2 4.23Å; L245-W300 HydrophobicContact CD2-CZ2 3.72Å; L245-W300 HydrophobicContact CG-CZ2 4.15Å; P264-W300 HydrophobicContact CB-CB 3.57Å; P264-W300 HydrophobicContact CB-CG 4.16Å; P264-W300 HydrophobicContact CG-CB 3.85Å; P264-W300 HydrophobicContact CG-CD2 4.33Å; P264-W300 HydrophobicContact CG-CE3 4.21Å; P264-W300 HydrophobicContact CG-CG 4.21Å; S267-W300 VanDerWaalsContact CB-CD1 3.4Å; Y297-W300 PolarHBondContact O-NE1 3.1Å; F298-W300 PolarHBondContact O-N 3.5Å; F298-W300 VanDerWaalsContact O-N 3.12Å; W300-N302 PolarHBondContact O-N 3.14Å; W300-H303 PolarHBondContact O-N 3.22Å; W300-A304 HydrophobicContact CE3-CB 4.32Å; W300-A304 PolarHBondContact O-N 3.19Å; W300-A304 VanDerWaalsContact O-N 3.1Å
301	M	95.3	Very high	93.4	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.074	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.3	-12.4	178	-62.3	-174.3	169.5	0	0	113.6	K146 L150 F154 L245 L248 F298 E299	K146-M301 WeakPolarHBondContact CD-O 3.41Å; K146-M301 PolarHBondContact NZ-O 3.12Å; L150-M301 HydrophobicContact CD1-CB 3.78Å; L150-M301 VanDerWaalsContact CD1-O 3.22Å; L150-M301 WeakPolarHBondContact CD1-O 3.46Å; F154-M301 HydrophobicContact CZ-SD 4.15Å; L245-M301 WeakPolarHBondContact O-CE 3.14Å; L248-M301 HydrophobicContact CD2-CE 3.78Å; L248-M301 HydrophobicContact CD2-SD 4.1Å; F298-M301 HydrophobicContact CB-SD 4.37Å; F298-M301 HydrophobicContact CD1-CE 3.68Å; F298-M301 HydrophobicContact CD1-SD 4.03Å; F298-M301 HydrophobicContact CE1-CE 4.27Å; F298-M301 WeakPolarHBondContact O-CB 3.42Å; F298-M301 VanDerWaalsContact O-CG 3.31Å; F298-M301 WeakPolarHBondContact O-CG 3.43Å; F298-M301 PolarHBondContact O-N 2.88Å; E299-M301 PolarHBondContact O-N 3.39Å; E299-M301 VanDerWaalsContact O-N 3.1Å
302	N	94.2	Very high	93.2	Very high	52 Å²	52	52.7 Å²	52.7	28%	0.278	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-67.8	-28	170	-73.6	-42.4	0	0	0	112	W155 E299 W300	W155-N302 WeakPolarHBondContact CZ2-ND2 3.25Å; W155-N302 WeakPolarHBondContact CZ2-OD1 3.12Å; W155-N302 PolarHBondContact NE1-OD1 2.86Å; E299-N302 WeakPolarHBondContact O-CB 3.36Å; E299-N302 PolarHBondContact O-N 3.1Å; E299-N302 PolarHBondContact O-ND2 3.02Å; W300-N302 PolarHBondContact O-N 3.14Å
303	H	93.9	Very high	93.2	Very high	139 Å²	139	51.9 Å²	51.9	64%	0.644	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-20.3	-167.7	-53.6	-64.3	0	0	0	113.5	P145 K146 W300	P145-H303 WeakPolarHBondContact CA-O 3.44Å; K146-H303 PolarHBondContact N-O 2.97Å; W300-H303 PolarHBondContact O-N 3.22Å
304	A	94.8	Very high	93.1	Very high	14 Å²	14	50.9 Å²	50.9	12%	0.116	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.5	-175.8	0	0	0	0	0	113.7	F143 K144 W300	F143-A304 HydrophobicContact CB-CB 4.27Å; F143-A304 HydrophobicContact CD1-CB 4.22Å; K144-A304 CarbonylContact O-C 3.48Å; K144-A304 WeakPolarHBondContact O-CA 3.28Å; W300-A304 HydrophobicContact CE3-CB 4.32Å; W300-A304 PolarHBondContact O-N 3.19Å; W300-A304 VanDerWaalsContact O-N 3.1Å
305	E	93.6	Very high	92.9	Very high	94 Å²	94	52 Å²	52	44%	0.439	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.7	170.4	-63.7	-178.7	178	0	0	109.4	F143 K144 K146	F143-E305 WeakPolarHBondContact CA-O 3.47Å; K144-E305 PolarHBondContact N-O 3.13Å; K144-E305 PolarHBondContact O-N 2.99Å; K146-E305 HydrophobicContact CD-CG 4.32Å; K146-E305 HydrophobicContact CG-CG 4.12Å
306	S	94.3	Very high	92.9	Very high	8 Å²	8	51.4 Å²	51.4	6%	0.056	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.2	176.2	-178.6	0	0	0	0	110.5	F242 N246	F242-S306 PolarHBondContact O-OG 3.5Å; N246-S306 PolarHBondContact ND2-O 2.96Å
307	V	92.1	Very high	92.9	Very high	18 Å²	18	47.2 Å²	47.2	11%	0.109	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	98.3	175.1	-177	0	0	0	0	107.9	G141 F142 K144 K310	G141-V307 CarbonylContact C-O 3.5Å; G141-V307 WeakPolarHBondContact CA-O 3.48Å; F142-V307 HydrophobicContact CD1-CB 4.16Å; F142-V307 HydrophobicContact CD1-CG1 4.25Å; F142-V307 HydrophobicContact CE1-CB 3.92Å; F142-V307 HydrophobicContact CE1-CG1 3.61Å; F142-V307 HydrophobicContact CE2-CB 4.35Å; F142-V307 HydrophobicContact CE2-CG2 4.45Å; F142-V307 HydrophobicContact CG-CB 4.45Å; F142-V307 HydrophobicContact CZ-CB 4.04Å; F142-V307 HydrophobicContact CZ-CG1 3.82Å; F142-V307 HydrophobicContact CZ-CG2 4.41Å; F142-V307 PolarHBondContact N-O 3.28Å; F142-V307 PolarHBondContact O-N 3.23Å; K144-V307 HydrophobicContact CD-CG2 3.95Å; K144-V307 HydrophobicContact CG-CG2 4.01Å; V307-K310 WeakPolarHBondContact CG1-O 3.44Å
308	G	83.6	Confident	92.9	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	22%	0.217	C	C	.	.			trans	-90.7	-104.5	-178.8	0	0	0	0	0	113.2	F140 D243 K310	F140-G308 CarbonylContact O-C 3.46Å; D243-G308 VanDerWaalsContact OD1-CA 3.23Å; D243-G308 WeakPolarHBondContact OD1-CA 3.27Å; G308-K310 VanDerWaalsContact C-N 3.27Å; G308-K310 PolarHBondContact O-N 3.09Å
309	Y	82.2	Confident	92.9	Very high	166 Å²	166	50.3 Å²	50.3	65%	0.651	23%	0.232	S	C	*	.	S	Bend	trans	-63.9	-28.9	-178.4	80.2	-84.7	0	0	0	114.1	D243 L311 R312	D243-Y309 PolarHBondContact OD1-N 3.5Å; Y309-L311 PolarHBondContact O-N 3.11Å; Y309-R312 PolarHBondContact O-N 3.43Å
310	K	81.9	Confident	93.1	Very high	140 Å²	140	45.9 Å²	45.9	61%	0.609	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	129.4	-178	-162.8	-173.4	177.2	175.2	0	110	V307 G308 R312	V307-K310 WeakPolarHBondContact CG1-O 3.44Å; G308-K310 VanDerWaalsContact C-N 3.27Å; G308-K310 PolarHBondContact O-N 3.09Å; K310-R312 PolarHBondContact O-N 2.76Å
311	L	88.5	Confident	93.1	Very high	40 Å²	40	45 Å²	45	21%	0.209	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	8.8	179.4	-50.1	-178.4	0	0	0	115.7	I57 Y309 E314 T315	I57-L311 HydrophobicContact CG2-CD2 3.79Å; Y309-L311 PolarHBondContact O-N 3.11Å; L311-E314 WeakPolarHBondContact CA-OE2 3.31Å; L311-E314 HydrophobicContact CB-CB 4.46Å; L311-E314 HydrophobicContact CD2-CG 4.39Å; L311-E314 PolarHBondContact O-N 3.03Å; L311-T315 VanDerWaalsContact O-CB 3.3Å; L311-T315 WeakPolarHBondContact O-CB 3.47Å; L311-T315 PolarHBondContact O-N 2.72Å; L311-T315 PolarHBondContact O-OG1 3Å
312	R	91.8	Very high	93.2	Very high	24 Å²	24	46.1 Å²	46.1	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-53.8	-177.2	-175.5	-166.2	-64.9	176.5	-3.7	111	F138 P139 F140 Y309 K310 E314 T315 G316	F138-R312 HydrophobicContact CD1-CG 4.36Å; F138-R312 HydrophobicContact CE1-CG 4.01Å; F138-R312 VanDerWaalsContact CE1-O 3.3Å; F138-R312 WeakPolarHBondContact CE1-O 3.35Å; P139-R312 VanDerWaalsContact O-CG 3.26Å; P139-R312 WeakPolarHBondContact O-CG 3.22Å; F140-R312 VanDerWaalsContact CD1-CZ 3.41Å; F140-R312 VanDerWaalsContact O-CZ 3.27Å; F140-R312 PolarHBondContact O-NE 3.43Å; F140-R312 PolarHBondContact O-NH2 3.2Å; Y309-R312 PolarHBondContact O-N 3.43Å; K310-R312 PolarHBondContact O-N 2.76Å; R312-E314 VanDerWaalsContact C-N 3.31Å; R312-T315 PolarHBondContact O-N 3.07Å; R312-G316 PolarHBondContact O-N 2.86Å
313	Y	95.2	Very high	93.3	Very high	73 Å²	73	47.1 Å²	47.1	29%	0.286	22%	0.219	S	C	.	.	H	α-helix	trans	-67.2	-41.2	-177	-59	-64.5	0	0	0	110.6	F45 F50 L105 F138 T315 G316 F317	F45-Y313 HydrophobicContact CE1-CE1 4.03Å; F50-Y313 AromaticContact CE1-CD1 3.73Å; F50-Y313 HydrophobicContact CE1-CD1 3.73Å; F50-Y313 HydrophobicContact CE1-CD2 4.24Å; F50-Y313 HydrophobicContact CE1-CE1 4.09Å; F50-Y313 AromaticContact CE1-CG 3.83Å; F50-Y313 HydrophobicContact CE1-CG 3.83Å; F50-Y313 AromaticContact CZ-CD1 3.64Å; F50-Y313 HydrophobicContact CZ-CD1 3.64Å; F50-Y313 AromaticContact CZ-CE1 3.82Å; F50-Y313 HydrophobicContact CZ-CE1 3.82Å; F50-Y313 HydrophobicContact CZ-CG 4.24Å; L105-Y313 HydrophobicContact CD1-CE1 4.15Å; F138-Y313 AromaticContact CE1-CD1 3.91Å; F138-Y313 HydrophobicContact CE1-CD1 3.91Å; F138-Y313 AromaticContact CZ-CD1 3.73Å; F138-Y313 HydrophobicContact CZ-CD1 3.73Å; F138-Y313 HydrophobicContact CZ-CG 4.45Å; Y313-T315 PolarHBondContact O-N 3.22Å; Y313-G316 PolarHBondContact O-N 2.88Å; Y313-F317 VanDerWaalsContact O-CD2 3.29Å; Y313-F317 WeakPolarHBondContact O-CD2 3.41Å; Y313-F317 PolarHBondContact O-N 3.32Å
314	E	95.1	Very high	93.3	Very high	43 Å²	43	40.8 Å²	40.8	20%	0.201	19%	0.19	C	C	.	.	H	α-helix	trans	-56.7	-48.8	177.4	-63.1	84.6	156	0	0	111.7	V54 I57 L311 R312 G316 F317 C318	V54-E314 VanDerWaalsContact O-CA 3.24Å; V54-E314 WeakPolarHBondContact O-CA 3.44Å; I57-E314 HydrophobicContact CD1-CB 3.56Å; I57-E314 HydrophobicContact CG1-CB 3.84Å; I57-E314 HydrophobicContact CG2-CB 4.24Å; I57-E314 HydrophobicContact CG2-CG 4.38Å; L311-E314 WeakPolarHBondContact CA-OE2 3.31Å; L311-E314 HydrophobicContact CB-CB 4.46Å; L311-E314 HydrophobicContact CD2-CG 4.39Å; L311-E314 PolarHBondContact O-N 3.03Å; R312-E314 VanDerWaalsContact C-N 3.31Å; E314-G316 VanDerWaalsContact C-N 3.34Å; E314-G316 PolarHBondContact O-N 2.79Å; E314-F317 PolarHBondContact O-N 2.82Å; E314-C318 WeakPolarHBondContact O-CB 3.36Å; E314-C318 PolarHBondContact O-N 2.78Å; E314-C318 PolarHBondContact O-SG 2.63Å
315	T	94.3	Very high	93.2	Very high	24 Å²	24	41.4 Å²	41.4	15%	0.147	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-44.1	178.9	-59.1	0	0	0	0	111.6	L311 R312 Y313 K319	L311-T315 VanDerWaalsContact O-CB 3.3Å; L311-T315 WeakPolarHBondContact O-CB 3.47Å; L311-T315 PolarHBondContact O-N 2.72Å; L311-T315 PolarHBondContact O-OG1 3Å; R312-T315 PolarHBondContact O-N 3.07Å; Y313-T315 PolarHBondContact O-N 3.22Å; T315-K319 HydrophobicContact CG2-CD 4.37Å; T315-K319 WeakPolarHBondContact O-CB 3.32Å; T315-K319 VanDerWaalsContact O-CG 3.26Å; T315-K319 WeakPolarHBondContact O-CG 3.24Å; T315-K319 PolarHBondContact O-N 3.11Å; T315-K319 VanDerWaalsContact O-N 3.1Å
316	G	96.7	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-47.3	-179.4	0	0	0	0	0	113.5	V136 R312 Y313 E314 K319 L320	V136-G316 WeakPolarHBondContact CG1-O 3.35Å; R312-G316 PolarHBondContact O-N 2.86Å; Y313-G316 PolarHBondContact O-N 2.88Å; E314-G316 VanDerWaalsContact C-N 3.34Å; E314-G316 PolarHBondContact O-N 2.79Å; G316-K319 PolarHBondContact O-N 3.23Å; G316-L320 PolarHBondContact O-N 3.46Å
317	F	98	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-36.7	178.6	-80.6	-74.1	0	0	0	112.7	M41 F50 V54 L55 I65 M128 F138 Y313 E314 K319 L320 C321	M41-F317 HydrophobicContact CE-CZ 4.44Å; M41-F317 HydrophobicContact SD-CE1 3.71Å; M41-F317 HydrophobicContact SD-CZ 3.69Å; F50-F317 HydrophobicContact CB-CE2 4.36Å; F50-F317 HydrophobicContact CB-CZ 4.31Å; F50-F317 HydrophobicContact CD1-CE2 4.17Å; F50-F317 AromaticContact CD2-CE2 3.54Å; F50-F317 HydrophobicContact CD2-CE2 3.54Å; F50-F317 AromaticContact CD2-CZ 3.4Å; F50-F317 HydrophobicContact CD2-CZ 3.4Å; F50-F317 HydrophobicContact CE1-CE2 4.34Å; F50-F317 AromaticContact CE2-CE2 3.72Å; F50-F317 HydrophobicContact CE2-CE2 3.72Å; F50-F317 AromaticContact CE2-CZ 3.8Å; F50-F317 HydrophobicContact CE2-CZ 3.8Å; F50-F317 AromaticContact CG-CE2 3.77Å; F50-F317 HydrophobicContact CG-CE2 3.77Å; F50-F317 AromaticContact CG-CZ 3.94Å; F50-F317 HydrophobicContact CG-CZ 3.94Å; F50-F317 HydrophobicContact CZ-CE2 4.13Å; V54-F317 HydrophobicContact CB-CB 4.2Å; V54-F317 HydrophobicContact CB-CD2 3.71Å; V54-F317 HydrophobicContact CB-CE2 4.43Å; V54-F317 HydrophobicContact CB-CG 4.14Å; V54-F317 HydrophobicContact CG1-CD2 4.18Å; V54-F317 HydrophobicContact CG1-CE2 4.47Å; V54-F317 HydrophobicContact CG2-CB 3.73Å; V54-F317 HydrophobicContact CG2-CD1 4.18Å; V54-F317 HydrophobicContact CG2-CD2 3.49Å; V54-F317 VanDerWaalsContact CG2-CD2 3.49Å; V54-F317 HydrophobicContact CG2-CE2 4.13Å; V54-F317 HydrophobicContact CG2-CG 3.53Å; L55-F317 HydrophobicContact CD2-CB 4.03Å; I65-F317 HydrophobicContact CD1-CD1 3.92Å; I65-F317 HydrophobicContact CD1-CE1 4.41Å; M128-F317 HydrophobicContact CE-CE1 4.14Å; M128-F317 HydrophobicContact CE-CZ 4.13Å; F138-F317 HydrophobicContact CE2-CD2 4.17Å; F138-F317 HydrophobicContact CE2-CE2 4.22Å; F138-F317 HydrophobicContact CZ-CD2 4.3Å; F138-F317 HydrophobicContact CZ-CE2 4.33Å; Y313-F317 VanDerWaalsContact O-CD2 3.29Å; Y313-F317 WeakPolarHBondContact O-CD2 3.41Å; Y313-F317 PolarHBondContact O-N 3.32Å; E314-F317 PolarHBondContact O-N 2.82Å; F317-K319 VanDerWaalsContact C-N 3.33Å; F317-K319 PolarHBondContact O-N 3.07Å; F317-L320 PolarHBondContact O-N 3.47Å; F317-C321 VanDerWaalsContact O-CB 3.27Å; F317-C321 WeakPolarHBondContact O-CB 3.37Å; F317-C321 PolarHBondContact O-N 2.83Å
318	C	97.3	Very high	92.2	Very high	13 Å²	13	50.6 Å²	50.6	9%	0.088	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-38.2	172.2	-71.7	0	0	0	0	112.3	I57 C58 L61 E314 C321 S322	I57-C318 WeakPolarHBondContact CG1-SG 3.4Å; C58-C318 HydrophobicContact CB-CB 3.69Å; C58-C318 WeakPolarHBondContact CB-SG 3.21Å; C58-C318 WeakPolarHBondContact SG-CA 3.35Å; C58-C318 WeakPolarHBondContact SG-CB 3.47Å; C58-C318 CovalentContact SG-SG 2.02Å; C58-C318 PolarHBondContact SG-SG 3Å; L61-C318 WeakPolarHBondContact CD1-O 3.48Å; E314-C318 WeakPolarHBondContact O-CB 3.36Å; E314-C318 PolarHBondContact O-N 2.78Å; E314-C318 PolarHBondContact O-SG 2.63Å; C318-C321 WeakPolarHBondContact O-CB 3.5Å; C318-C321 PolarHBondContact O-N 2.87Å; C318-S322 PolarHBondContact O-N 2.76Å
319	K	97.5	Very high	91.9	Very high	79 Å²	79	57.7 Å²	57.7	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-42.9	173.9	-76.2	174.3	-176.7	-178.9	0	112.7	V136 H137 T315 G316 F317 C321 S322 K323	V136-K319 HydrophobicContact CG1-CB 3.92Å; H137-K319 WeakPolarHBondContact O-CD 3.38Å; H137-K319 PolarHBondContact O-NZ 3.4Å; T315-K319 HydrophobicContact CG2-CD 4.37Å; T315-K319 WeakPolarHBondContact O-CB 3.32Å; T315-K319 VanDerWaalsContact O-CG 3.26Å; T315-K319 WeakPolarHBondContact O-CG 3.24Å; T315-K319 PolarHBondContact O-N 3.11Å; T315-K319 VanDerWaalsContact O-N 3.1Å; G316-K319 PolarHBondContact O-N 3.23Å; F317-K319 VanDerWaalsContact C-N 3.33Å; F317-K319 PolarHBondContact O-N 3.07Å; K319-C321 VanDerWaalsContact C-N 3.29Å; K319-C321 PolarHBondContact O-N 3.26Å; K319-S322 PolarHBondContact O-N 3.34Å; K319-K323 WeakPolarHBondContact O-CB 3.15Å; K319-K323 PolarHBondContact O-N 2.98Å
320	L	98.2	Very high	91.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-47.4	173.1	175.2	58.7	0	0	0	110.1	I39 V79 V101 L126 M128 V136 G316 F317 K323 L324	I39-L320 HydrophobicContact CD1-CD2 4.01Å; I39-L320 HydrophobicContact CD1-CG 4.04Å; I39-L320 HydrophobicContact CG2-CD2 3.96Å; V79-L320 HydrophobicContact CG2-CD2 3.83Å; V101-L320 HydrophobicContact CG2-CD1 4.28Å; L126-L320 HydrophobicContact CD1-CD1 4.44Å; M128-L320 HydrophobicContact SD-CB 4.15Å; M128-L320 HydrophobicContact SD-CD2 3.94Å; V136-L320 HydrophobicContact CG1-CB 4.03Å; V136-L320 HydrophobicContact CG2-CB 4.17Å; V136-L320 HydrophobicContact CG2-CD1 3.9Å; G316-L320 PolarHBondContact O-N 3.46Å; F317-L320 PolarHBondContact O-N 3.47Å; L320-K323 WeakPolarHBondContact O-CB 3.38Å; L320-K323 PolarHBondContact O-N 2.87Å; L320-L324 HydrophobicContact CD1-CD1 4.08Å; L320-L324 HydrophobicContact CD1-CG 4.19Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.48Å; L320-L324 PolarHBondContact O-N 2.72Å
321	C	97.5	Very high	92	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-47.3	178.3	176.3	0	0	0	0	112.7	I39 L55 L61 C63 F317 C318 K319 K323 L324 Q325	I39-C321 HydrophobicContact CD1-CB 4.3Å; L55-C321 HydrophobicContact CD2-CB 4.16Å; L61-C321 HydrophobicContact CB-CB 4.47Å; L61-C321 WeakPolarHBondContact CB-SG 3.46Å; L61-C321 HydrophobicContact CD1-CB 4.17Å; L61-C321 PolarHBondContact O-SG 3.23Å; L61-C321 VanDerWaalsContact O-SG 3.34Å; C63-C321 HydrophobicContact CB-CB 3.85Å; C63-C321 WeakPolarHBondContact CB-SG 3.41Å; C63-C321 VanDerWaalsContact SG-CA 3.51Å; C63-C321 WeakPolarHBondContact SG-CB 3.45Å; C63-C321 CovalentContact SG-SG 2Å; C63-C321 PolarHBondContact SG-SG 3.2Å; F317-C321 VanDerWaalsContact O-CB 3.27Å; F317-C321 WeakPolarHBondContact O-CB 3.37Å; F317-C321 PolarHBondContact O-N 2.83Å; C318-C321 WeakPolarHBondContact O-CB 3.5Å; C318-C321 PolarHBondContact O-N 2.87Å; K319-C321 VanDerWaalsContact C-N 3.29Å; K319-C321 PolarHBondContact O-N 3.26Å; C321-K323 VanDerWaalsContact C-N 3.31Å; C321-K323 PolarHBondContact O-N 2.8Å; C321-L324 PolarHBondContact O-N 2Å; C321-L324 VanDerWaalsContact O-N 3.16Å; C321-Q325 PolarHBondContact O-N 2.87Å
322	S	96.2	Very high	92.3	Very high	39 Å²	39	57.6 Å²	57.6	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-45.3	175.6	-168.4	0	0	0	0	111.2	C318 K319 L324 Q325 E326	C318-S322 PolarHBondContact O-N 2.76Å; K319-S322 PolarHBondContact O-N 3.34Å; S322-L324 VanDerWaalsContact C-N 3.28Å; S322-L324 PolarHBondContact O-N 3.34Å; S322-Q325 WeakPolarHBondContact O-CB 3.43Å; S322-Q325 PolarHBondContact O-N 2.8Å; S322-Q325 VanDerWaalsContact O-N 3.09Å; S322-E326 WeakPolarHBondContact O-CG 3.19Å; S322-E326 PolarHBondContact O-N 3.35Å; S322-E326 PolarHBondContact OG-OE1 3.47Å; S322-E326 VanDerWaalsContact OG-OE1 3.07Å
323	K	95.5	Very high	92.4	Very high	72 Å²	72	56.5 Å²	56.5	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-38.4	178.2	-173.1	176.1	-175.5	68.8	0	112.4	L126 V136 K319 L320 C321 Q327	L126-K323 HydrophobicContact CD1-CD 4.26Å; L126-K323 HydrophobicContact CD2-CD 4.4Å; V136-K323 HydrophobicContact CG2-CD 3.94Å; K319-K323 WeakPolarHBondContact O-CB 3.15Å; K319-K323 PolarHBondContact O-N 2.98Å; L320-K323 WeakPolarHBondContact O-CB 3.38Å; L320-K323 PolarHBondContact O-N 2.87Å; C321-K323 VanDerWaalsContact C-N 3.31Å; C321-K323 PolarHBondContact O-N 2.8Å; K323-Q327 WeakPolarHBondContact O-CG 3.38Å
324	L	95.2	Very high	92.4	Very high	7 Å²	7	57 Å²	57	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-72.9	-32.2	176.4	-64.2	170.4	0	0	0	112	I37 I39 A77 L320 C321 S322 E326 Q327	I37-L324 HydrophobicContact CD1-CB 3.9Å; I37-L324 HydrophobicContact CG2-CB 3.89Å; I37-L324 HydrophobicContact CG2-CD1 3.72Å; I37-L324 HydrophobicContact CG2-CG 4.46Å; I39-L324 HydrophobicContact CD1-CD1 4.03Å; I39-L324 HydrophobicContact CG1-CD1 3.75Å; A77-L324 HydrophobicContact CB-CD1 3.65Å; A77-L324 HydrophobicContact CB-CD2 4.09Å; L320-L324 HydrophobicContact CD1-CD1 4.08Å; L320-L324 HydrophobicContact CD1-CG 4.19Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.48Å; L320-L324 PolarHBondContact O-N 2.72Å; C321-L324 PolarHBondContact O-N 2Å; C321-L324 VanDerWaalsContact O-N 3.16Å; S322-L324 VanDerWaalsContact C-N 3.28Å; S322-L324 PolarHBondContact O-N 3.34Å; L324-E326 VanDerWaalsContact C-N 3.35Å; L324-Q327 VanDerWaalsContact CD2-OE1 3.31Å; L324-Q327 WeakPolarHBondContact O-CG 3.44Å; L324-Q327 PolarHBondContact O-N 2.87Å
325	Q	92.3	Very high	92.5	Very high	27 Å²	27	57.7 Å²	57.7	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-34	174.5	-81.4	-152.9	-21.8	0	0	113.3	I37 L61 C321 S322 Q327	I37-Q325 HydrophobicContact CD1-CB 4.07Å; I37-Q325 HydrophobicContact CD1-CG 3.43Å; I37-Q325 VanDerWaalsContact CD1-CG 3.43Å; L61-Q325 VanDerWaalsContact CD2-OE1 3.27Å; L61-Q325 PolarHBondContact O-NE2 3.39Å; C321-Q325 PolarHBondContact O-N 2.87Å; S322-Q325 WeakPolarHBondContact O-CB 3.43Å; S322-Q325 PolarHBondContact O-N 2.8Å; S322-Q325 VanDerWaalsContact O-N 3.09Å; Q325-Q327 PolarHBondContact O-N 3.34Å
326	E	90.2	Very high	92.7	Very high	123 Å²	123	57.5 Å²	57.5	58%	0.575	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.5	-179	-71.4	161.7	-151.2	0	0	113.1	S322 L324	S322-E326 WeakPolarHBondContact O-CG 3.19Å; S322-E326 PolarHBondContact O-N 3.35Å; S322-E326 PolarHBondContact OG-OE1 3.47Å; S322-E326 VanDerWaalsContact OG-OE1 3.07Å; L324-E326 VanDerWaalsContact C-N 3.35Å
327	Q	87.4	Confident	92.7	Very high	43 Å²	43	67 Å²	67	20%	0.201	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-73.8	133.8	-179.2	-55.6	-168.4	-84.7	0	0	111.6	H99 K323 L324 Q325 W331	H99-Q327 PolarHBondContact CD2-NE2 3.06Å; H99-Q327 PolarHBondContact NE2-NE2 2.88Å; K323-Q327 WeakPolarHBondContact O-CG 3.38Å; L324-Q327 VanDerWaalsContact CD2-OE1 3.31Å; L324-Q327 WeakPolarHBondContact O-CG 3.44Å; L324-Q327 PolarHBondContact O-N 2.87Å; Q325-Q327 PolarHBondContact O-N 3.34Å; Q327-W331 VanDerWaalsContact NE2-CD1 3.26Å
328	Q	82.3	Confident	92.7	Very high	146 Å²	146	67.6 Å²	67.6	68%	0.682	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-67.1	158.2	176.6	-64.1	-178.9	6.2	0	0	111.2	W331	Q328-W331 VanDerWaalsContact O-CB 3.29Å; Q328-W331 WeakPolarHBondContact O-CB 3.28Å; Q328-W331 PolarHBondContact O-N 3.18Å
329	K	76.8	Confident	92.8	Very high	152 Å²	152	67 Å²	67	66%	0.661	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	142.9	169.8	-163.4	-176.3	170.2	-175.3	0	109.4	I33 W331	I33-K329 HydrophobicContact CD1-CB 4.07Å; K329-W331 PolarHBondContact O-N 3.16Å
330	D	80.2	Confident	92.8	Very high	124 Å²	124	70.4 Å²	70.4	66%	0.663	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	20.8	178.3	-44.6	-44.4	0	0	0	114.9
331	W	86.5	Confident	92.8	Very high	114 Å²	114	73.4 Å²	73.4	43%	0.432	36%	0.356	S	S	.	.			trans	-67	132.1	175.9	172.1	-86.3	0	0	0	112.9	E97 H99 Q327 Q328 K329	E97-W331 VanDerWaalsContact CA-O 3.31Å; E97-W331 WeakPolarHBondContact CA-O 3.41Å; E97-W331 WeakPolarHBondContact CB-O 3.02Å; E97-W331 VanDerWaalsContact CG-O 3.28Å; E97-W331 WeakPolarHBondContact CG-O 3.46Å; H99-W331 AromaticContact NE2-NE1 3.99Å; Q327-W331 VanDerWaalsContact NE2-CD1 3.26Å; Q328-W331 VanDerWaalsContact O-CB 3.29Å; Q328-W331 WeakPolarHBondContact O-CB 3.28Å; Q328-W331 PolarHBondContact O-N 3.18Å; K329-W331 PolarHBondContact O-N 3.16Å
332	I	93.1	Very high	92.8	Very high	106 Å²	106	73.4 Å²	73.4	54%	0.544	36%	0.356	S	S	.	.			trans	-93.7	119.6	171.3	-57.2	175.8	0	0	0	110.2	P96 T334	P96-I332 HydrophobicContact CB-CG2 4.33Å; I332-T334 PolarHBondContact O-N 3.07Å; I332-T334 VanDerWaalsContact O-N 3.13Å
333	A	95.1	Very high	92.8	Very high	2 Å²	2	74.4 Å²	74.4	2%	0.017	36%	0.361	C	S	.	.			trans	-68.7	108.4	175.8	0	0	0	0	0	111.2	R94 P96 Q98 H99	R94-A333 PolarHBondContact NH1-O 2.79Å; R94-A333 PolarHBondContact NH2-O 2.02Å; P96-A333 WeakPolarHBondContact O-CB 3.45Å; P96-A333 PolarHBondContact O-N 2.82Å; Q98-A333 WeakPolarHBondContact O-CB 3.28Å; H99-A333 VanDerWaalsContact CE1-CB 3.47Å; H99-A333 WeakPolarHBondContact CE1-CB 3.47Å
334	T	95.5	Very high	92.9	Very high	84 Å²	84	73.9 Å²	73.9	52%	0.515	37%	0.369	S	S	.	.			trans	-105.1	155	171.7	55	0	0	0	0	110.8	I332 S336	I332-T334 PolarHBondContact O-N 3.07Å; I332-T334 VanDerWaalsContact O-N 3.13Å; T334-S336 PolarHBondContact O-N 3.03Å
335	P	97.4	Very high	93	Very high	56 Å²	56	74.8 Å²	74.8	36%	0.364	37%	0.373	S	S	.	.			trans	-61.4	126.3	175.3	-23.1	33.6	0	0	0	113.3	T125 K340	T125-P335 HydrophobicContact CG2-CG 4.24Å; P335-K340 HydrophobicContact CB-CB 4.34Å
336	S	97.5	Very high	93.2	Very high	20 Å²	20	73.5 Å²	73.5	14%	0.14	37%	0.367	C	S	.	.			trans	-60.9	167.9	169.9	76.2	0	0	0	0	111.6	T125 D135 T334 T338 A339 K340	T125-S336 PolarHBondContact O-N 3.11Å; D135-S336 WeakPolarHBondContact OD1-CB 3.4Å; D135-S336 PolarHBondContact OD1-OG 2.61Å; D135-S336 VanDerWaalsContact OD1-OG 3.11Å; D135-S336 WeakPolarHBondContact OD2-CB 3.24Å; D135-S336 PolarHBondContact OD2-OG 2.84Å; T334-S336 PolarHBondContact O-N 3.03Å; S336-T338 PolarHBondContact O-N 3Å; S336-T338 PolarHBondContact OG-N 2.84Å; S336-T338 PolarHBondContact OG-OG1 3.23Å; S336-T338 VanDerWaalsContact OG-OG1 3.09Å; S336-A339 PolarHBondContact O-N 3.43Å; S336-A339 VanDerWaalsContact OG-CB 3.28Å; S336-A339 WeakPolarHBondContact OG-CB 3.47Å; S336-A339 PolarHBondContact OG-N 2.71Å; S336-K340 WeakPolarHBondContact O-CB 3.3Å; S336-K340 PolarHBondContact O-N 3.13Å
337	K	97.4	Very high	93.5	Very high	201 Å²	201	71.9 Å²	71.9	87%	0.874	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.7	176	-178.4	178.3	176.7	-179.3	0	112.4
338	T	97.9	Very high	93.9	Very high	11 Å²	11	76 Å²	76	7%	0.067	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-29.7	-178.1	52.6	0	0	0	0	112.4	T127 D133 D135 S336 W345	T127-T338 PolarHBondContact OG1-OG1 2.98Å; D133-T338 WeakPolarHBondContact O-CG2 3.49Å; D135-T338 PolarHBondContact OD2-OG1 2.98Å; S336-T338 PolarHBondContact O-N 3Å; S336-T338 PolarHBondContact OG-N 2.84Å; S336-T338 PolarHBondContact OG-OG1 3.23Å; S336-T338 VanDerWaalsContact OG-OG1 3.09Å; T338-W345 HydrophobicContact CG2-CD2 3.85Å; T338-W345 VanDerWaalsContact CG2-CE2 3.44Å; T338-W345 HydrophobicContact CG2-CG 3.99Å; T338-W345 HydrophobicContact CG2-CZ2 3.87Å; T338-W345 VanDerWaalsContact CG2-NE1 3.35Å
339	A	98.3	Very high	94.6	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.4	177.1	0	0	0	0	0	113.9	T125 T127 S336 N341	T125-A339 VanDerWaalsContact C-CB 3.43Å; T125-A339 WeakPolarHBondContact O-CB 3.24Å; T127-A339 HydrophobicContact CG2-CB 4.09Å; S336-A339 PolarHBondContact O-N 3.43Å; S336-A339 VanDerWaalsContact OG-CB 3.28Å; S336-A339 WeakPolarHBondContact OG-CB 3.47Å; S336-A339 PolarHBondContact OG-N 2.71Å; A339-N341 VanDerWaalsContact C-N 3.27Å; A339-N341 PolarHBondContact O-N 2.75Å
340	K	97.8	Very high	95.4	Very high	152 Å²	152	70 Å²	70	66%	0.661	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.9	-177.8	-173.8	175	-176.8	176.5	0	112.9	P335 S336	P335-K340 HydrophobicContact CB-CB 4.34Å; S336-K340 WeakPolarHBondContact O-CB 3.3Å; S336-K340 PolarHBondContact O-N 3.13Å
341	N	97.9	Very high	96.2	Very high	62 Å²	62	64.6 Å²	64.6	33%	0.332	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-148.9	95.8	174.1	-174.4	-27.3	0	0	0	110	S120 T121 A339 T343 A344 W345	S120-N341 WeakPolarHBondContact O-CA 3.4Å; S120-N341 PolarHBondContact OG-OD1 3.34Å; T121-N341 HydrophobicContact CG2-CB 4.02Å; A339-N341 VanDerWaalsContact C-N 3.27Å; A339-N341 PolarHBondContact O-N 2.75Å; N341-T343 VanDerWaalsContact C-N 3.29Å; N341-T343 PolarHBondContact O-N 3.37Å; N341-T343 PolarHBondContact OD1-N 3.33Å; N341-T343 VanDerWaalsContact OD1-N 3.16Å; N341-A344 HydrophobicContact CB-CB 3.95Å; N341-A344 VanDerWaalsContact CG-CB 3.47Å; N341-A344 PolarHBondContact O-N 3.09Å; N341-A344 PolarHBondContact OD1-N 3.07Å; N341-W345 PolarHBondContact O-N 2.93Å; N341-W345 VanDerWaalsContact O-N 3.08Å
342	L	98.1	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-37.1	-179.2	-65	-179.3	0	0	0	112.3	F102 F116 S120 Y124 T127 W345 Y346	F102-L342 HydrophobicContact CB-CD1 3.96Å; F102-L342 HydrophobicContact CB-CD2 4.27Å; F102-L342 HydrophobicContact CD1-CD1 4.12Å; F102-L342 HydrophobicContact CD1-CD2 3.94Å; F102-L342 HydrophobicContact CD2-CD1 3.45Å; F102-L342 VanDerWaalsContact CD2-CD1 3.45Å; F102-L342 HydrophobicContact CE1-CD2 4.48Å; F102-L342 HydrophobicContact CE2-CD1 3.89Å; F102-L342 HydrophobicContact CG-CD1 3.57Å; F102-L342 HydrophobicContact CG-CD2 4.06Å; F102-L342 HydrophobicContact CZ-CD1 4.41Å; F116-L342 HydrophobicContact CE2-CB 4Å; F116-L342 HydrophobicContact CE2-CD1 4.4Å; F116-L342 HydrophobicContact CZ-CB 3.95Å; S120-L342 PolarHBondContact O-N 2.77Å; S120-L342 PolarHBondContact OG-N 2.82Å; Y124-L342 HydrophobicContact CD2-CD1 3.4Å; Y124-L342 VanDerWaalsContact CD2-CD1 3.4Å; Y124-L342 HydrophobicContact CD2-CG 4.37Å; Y124-L342 HydrophobicContact CE2-CD1 3.69Å; Y124-L342 HydrophobicContact CG-CD1 4.37Å; T127-L342 HydrophobicContact CG2-CD2 3.53Å; L342-W345 HydrophobicContact CD2-CE3 4.16Å; L342-W345 HydrophobicContact CD2-CZ3 4.31Å; L342-W345 PolarHBondContact O-N 3.16Å; L342-Y346 WeakPolarHBondContact O-CA 3.26Å; L342-Y346 WeakPolarHBondContact O-CB 3.48Å; L342-Y346 PolarHBondContact O-N 3.01Å
343	T	96.8	Very high	96.9	Very high	61 Å²	61	57 Å²	57	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-47	177.9	-60.5	0	0	0	0	111	F116 S120 N341 W345 K347 K348	F116-T343 WeakPolarHBondContact CE1-OG1 3.39Å; S120-T343 WeakPolarHBondContact OG-CB 3.5Å; S120-T343 PolarHBondContact OG-N 2.89Å; S120-T343 PolarHBondContact OG-OG1 3.07Å; N341-T343 VanDerWaalsContact C-N 3.29Å; N341-T343 PolarHBondContact O-N 3.37Å; N341-T343 PolarHBondContact OD1-N 3.33Å; N341-T343 VanDerWaalsContact OD1-N 3.16Å; T343-W345 VanDerWaalsContact C-N 3.29Å; T343-W345 PolarHBondContact O-N 3.16Å; T343-K347 HydrophobicContact CG2-CB 4.44Å; T343-K347 CarbonylContact O-C 3.51Å; T343-K347 WeakPolarHBondContact O-CA 2.91Å; T343-K347 WeakPolarHBondContact O-CB 3.2Å; T343-K347 PolarHBondContact O-N 3.4Å; T343-K347 VanDerWaalsContact O-N 3.08Å; T343-K348 PolarHBondContact O-N 3.44Å
344	A	96.7	Very high	97	Very high	60 Å²	60	61 Å²	61	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-25.3	-179.7	0	0	0	0	0	113.6	N341 K348	N341-A344 HydrophobicContact CB-CB 3.95Å; N341-A344 VanDerWaalsContact CG-CB 3.47Å; N341-A344 PolarHBondContact O-N 3.09Å; N341-A344 PolarHBondContact OD1-N 3.07Å; A344-K348 WeakPolarHBondContact O-CB 3.5Å
345	W	97.5	Very high	97.1	Very high	27 Å²	27	60.7 Å²	60.7	10%	0.102	33%	0.332	C	S	.	.	H	α-helix	trans	-93.3	-55.4	177.2	168.9	65.7	0	0	0	113	T127 N129 R131 D133 A134 T338 N341 L342 T343	T127-W345 HydrophobicContact CG2-CE3 4.02Å; T127-W345 HydrophobicContact CG2-CH2 3.97Å; T127-W345 HydrophobicContact CG2-CZ3 3.43Å; T127-W345 VanDerWaalsContact CG2-CZ3 3.43Å; N129-W345 VanDerWaalsContact ND2-CH2 3.27Å; N129-W345 WeakPolarHBondContact ND2-CH2 3.46Å; R131-W345 HydrophobicContact CB-CZ2 4.21Å; R131-W345 PolarHBondContact NH1-O 2.87Å; D133-W345 PolarHBondContact OD2-NE1 3.24Å; A134-W345 HydrophobicContact CB-CH2 3.91Å; A134-W345 HydrophobicContact CB-CZ2 4.13Å; T338-W345 HydrophobicContact CG2-CD2 3.85Å; T338-W345 VanDerWaalsContact CG2-CE2 3.44Å; T338-W345 HydrophobicContact CG2-CG 3.99Å; T338-W345 HydrophobicContact CG2-CZ2 3.87Å; T338-W345 VanDerWaalsContact CG2-NE1 3.35Å; N341-W345 PolarHBondContact O-N 2.93Å; N341-W345 VanDerWaalsContact O-N 3.08Å; L342-W345 HydrophobicContact CD2-CE3 4.16Å; L342-W345 HydrophobicContact CD2-CZ3 4.31Å; L342-W345 PolarHBondContact O-N 3.16Å; T343-W345 VanDerWaalsContact C-N 3.29Å; T343-W345 PolarHBondContact O-N 3.16Å
346	Y	97.7	Very high	97.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-82.2	-31.6	-169.7	-157.1	-117.7	0	0	0	113.1	F102 L104 E106 P108 T111 F116 Y130 R131 L342	F102-Y346 HydrophobicContact CE1-CE1 4.46Å; F102-Y346 HydrophobicContact CZ-CD1 4.46Å; F102-Y346 HydrophobicContact CZ-CE1 4.39Å; L104-Y346 HydrophobicContact CD2-CE1 3.99Å; E106-Y346 PolarHBondContact O-OH 3.33Å; P108-Y346 HydrophobicContact CB-CD1 4.27Å; P108-Y346 HydrophobicContact CB-CE1 4.34Å; P108-Y346 HydrophobicContact CG-CD1 3.97Å; P108-Y346 HydrophobicContact CG-CE1 3.88Å; P108-Y346 HydrophobicContact CG-CG 4.4Å; P108-Y346 WeakPolarHBondContact CG-O 3.39Å; T111-Y346 HydrophobicContact CG2-CD1 3.99Å; T111-Y346 HydrophobicContact CG2-CE1 3.94Å; F116-Y346 HydrophobicContact CE2-CD1 4.07Å; F116-Y346 HydrophobicContact CZ-CD1 4.33Å; Y130-Y346 HydrophobicContact CE1-CE2 4.4Å; Y130-Y346 WeakPolarHBondContact CE1-OH 3.44Å; R131-Y346 HydrophobicContact CG-CE2 4.11Å; L342-Y346 WeakPolarHBondContact O-CA 3.26Å; L342-Y346 WeakPolarHBondContact O-CB 3.48Å; L342-Y346 PolarHBondContact O-N 3.01Å
347	K	96.4	Very high	97.2	Very high	88 Å²	88	57.3 Å²	57.3	38%	0.383	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	20.2	176.4	-70.1	-171.1	177.5	-179.7	0	113.1	P108 T111 F116 T343	P108-K347 HydrophobicContact CB-CG 4.07Å; P108-K347 VanDerWaalsContact O-CE 3.25Å; P108-K347 WeakPolarHBondContact O-CE 3.27Å; T111-K347 WeakPolarHBondContact OG1-CE 3.02Å; T111-K347 PolarHBondContact OG1-NZ 2.67Å; F116-K347 HydrophobicContact CD1-CD 4.4Å; F116-K347 HydrophobicContact CE1-CD 3.67Å; F116-K347 HydrophobicContact CE1-CG 4.11Å; F116-K347 HydrophobicContact CZ-CD 4.18Å; F116-K347 HydrophobicContact CZ-CG 4.12Å; T343-K347 HydrophobicContact CG2-CB 4.44Å; T343-K347 CarbonylContact O-C 3.51Å; T343-K347 WeakPolarHBondContact O-CA 2.91Å; T343-K347 WeakPolarHBondContact O-CB 3.2Å; T343-K347 PolarHBondContact O-N 3.4Å; T343-K347 VanDerWaalsContact O-N 3.08Å
348	K	95.9	Very high	97.2	Very high	129 Å²	129	53.4 Å²	53.4	56%	0.561	29%	0.292	S	S	*	.			trans	-53.9	136.9	178.3	-171.5	-178.2	171.5	-177.8	0	110.3	T343 A344 G350 T351	T343-K348 PolarHBondContact O-N 3.44Å; A344-K348 WeakPolarHBondContact O-CB 3.5Å; K348-G350 PolarHBondContact O-N 2.88Å; K348-T351 WeakPolarHBondContact O-CB 3.32Å; K348-T351 PolarHBondContact O-N 3.42Å; K348-T351 PolarHBondContact O-OG1 3.48Å; K348-T351 VanDerWaalsContact O-OG1 3.09Å
349	P	95.4	Very high	97.1	Very high	123 Å²	123	58.5 Å²	58.5	80%	0.799	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	136.5	171.6	-28	35.6	0	0	0	111.6	T351	P349-T351 VanDerWaalsContact C-N 3.29Å; P349-T351 PolarHBondContact O-N 3.19Å
350	G	94.2	Very high	97	Very high	51 Å²	51	60.1 Å²	60.1	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-6.3	-174.2	0	0	0	0	0	115	K348 C352	K348-G350 PolarHBondContact O-N 2.88Å; G350-C352 VanDerWaalsContact C-N 3.34Å
351	T	96.5	Very high	96.9	Very high	9 Å²	9	57 Å²	57	6%	0.055	32%	0.316	C	S	.	.	S	Bend	trans	-68.8	-34.4	170.8	-65.8	0	0	0	0	112	P108 C233 V234 K348 P349	P108-T351 HydrophobicContact CG-CG2 4.32Å; C233-T351 CarbonylContact C-O 3.06Å; C233-T351 WeakPolarHBondContact CA-O 2.99Å; C233-T351 WeakPolarHBondContact CB-O 3.47Å; V234-T351 PolarHBondContact N-O 2.84Å; K348-T351 WeakPolarHBondContact O-CB 3.32Å; K348-T351 PolarHBondContact O-N 3.42Å; K348-T351 PolarHBondContact O-OG1 3.48Å; K348-T351 VanDerWaalsContact O-OG1 3.09Å; P349-T351 VanDerWaalsContact C-N 3.29Å; P349-T351 PolarHBondContact O-N 3.19Å
352	C	97.7	Very high	96.8	Very high	19 Å²	19	59.4 Å²	59.4	13%	0.128	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.6	177.8	-65.9	0	0	0	0	111.3	P108 Y109 V232 C233 G350 P354	P108-C352 VanDerWaalsContact CG-SG 3.53Å; Y109-C352 HydrophobicContact CD2-CB 4.3Å; Y109-C352 HydrophobicContact CE2-CB 3.52Å; V232-C352 CarbonylContact O-C 3.4Å; V232-C352 VanDerWaalsContact O-CA 3.28Å; V232-C352 WeakPolarHBondContact O-CA 3.26Å; C233-C352 HydrophobicContact CB-CB 4.06Å; C233-C352 WeakPolarHBondContact CB-SG 3.01Å; C233-C352 WeakPolarHBondContact SG-CB 3.28Å; C233-C352 CovalentContact SG-SG 2.03Å; C233-C352 PolarHBondContact SG-SG 3.07Å; G350-C352 VanDerWaalsContact C-N 3.34Å; C352-P354 WeakPolarHBondContact O-CD 3.48Å
353	H	97.4	Very high	96.5	Very high	43 Å²	43	62 Å²	62	20%	0.199	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.5	-177.3	-57.3	-91.4	0	0	0	109.4	V232 Y356 L363	V232-H353 HydrophobicContact CB-CB 4.34Å; V232-H353 HydrophobicContact CG1-CB 4.28Å; V232-H353 PolarHBondContact O-N 3.35Å; H353-Y356 HydrophobicContact CB-CD2 3.98Å; H353-Y356 HydrophobicContact CB-CG 4.41Å; H353-L363 VanDerWaalsContact CE1-CD2 3.48Å; H353-L363 WeakPolarHBondContact CE1-CD2 3.44Å
354	P	96.7	Very high	96.5	Very high	86 Å²	86	62.1 Å²	62.1	56%	0.558	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	146.7	-179.6	26.9	-31.3	0	0	0	110.5	Y109 C352 Y356	Y109-P354 WeakPolarHBondContact OH-CA 3.47Å; Y109-P354 VanDerWaalsContact OH-CB 3.26Å; Y109-P354 WeakPolarHBondContact OH-CB 3.41Å; Y109-P354 VanDerWaalsContact OH-CD 3.22Å; Y109-P354 WeakPolarHBondContact OH-CD 3.41Å; Y109-P354 VanDerWaalsContact OH-N 3.12Å; C352-P354 WeakPolarHBondContact O-CD 3.48Å; P354-Y356 PolarHBondContact O-N 3.2Å
355	Q	97.6	Very high	96.4	Very high	77 Å²	77	62.2 Å²	62.2	36%	0.36	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	23	174.8	-56.1	-66	-72	0	0	114	P179 S180 A181 G357 K358	P179-Q355 PolarHBondContact O-N 3.25Å; P179-Q355 PolarHBondContact O-NE2 2.76Å; S180-Q355 CarbonylContact O-C 3.37Å; A181-Q355 HydrophobicContact CB-CB 4.47Å; Q355-G357 PolarHBondContact O-N 3.46Å; Q355-G357 VanDerWaalsContact O-N 3.12Å; Q355-K358 HydrophobicContact CB-CD 4.29Å; Q355-K358 WeakPolarHBondContact O-CB 3.4Å; Q355-K358 PolarHBondContact O-N 2.96Å
356	Y	98.2	Very high	96.4	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.016	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-54	-36.3	-174.9	-176.1	-97.6	0	0	0	113.1	S180 V232 F254 D272 H353 P354 K358 N359 V360 H361 L363	S180-Y356 PolarHBondContact O-N 2.83Å; V232-Y356 HydrophobicContact CB-CD1 4.4Å; V232-Y356 HydrophobicContact CB-CG 4.25Å; V232-Y356 HydrophobicContact CG1-CD1 4.16Å; V232-Y356 HydrophobicContact CG1-CD2 4.45Å; V232-Y356 HydrophobicContact CG1-CE1 4.48Å; V232-Y356 HydrophobicContact CG1-CG 4.11Å; V232-Y356 HydrophobicContact CG2-CD1 3.8Å; V232-Y356 HydrophobicContact CG2-CG 4.03Å; F254-Y356 HydrophobicContact CB-CD1 4Å; F254-Y356 HydrophobicContact CB-CE1 3.69Å; F254-Y356 AromaticContact CD1-CD1 3.82Å; F254-Y356 HydrophobicContact CD1-CD1 3.82Å; F254-Y356 AromaticContact CD1-CE1 3.8Å; F254-Y356 HydrophobicContact CD1-CE1 3.8Å; F254-Y356 HydrophobicContact CD2-CD1 4.2Å; F254-Y356 HydrophobicContact CE1-CD1 4.36Å; F254-Y356 AromaticContact CG-CD1 3.76Å; F254-Y356 HydrophobicContact CG-CD1 3.76Å; F254-Y356 AromaticContact CG-CE1 3.85Å; F254-Y356 HydrophobicContact CG-CE1 3.85Å; D272-Y356 WeakPolarHBondContact CB-OH 3.44Å; H353-Y356 HydrophobicContact CB-CD2 3.98Å; H353-Y356 HydrophobicContact CB-CG 4.41Å; P354-Y356 PolarHBondContact O-N 3.2Å; Y356-K358 PolarHBondContact O-N 2.94Å; Y356-N359 CarbonylContact O-C 3.38Å; Y356-N359 PolarHBondContact O-N 2.99Å; Y356-V360 HydrophobicContact CD1-CG2 4.13Å; Y356-V360 HydrophobicContact CE1-CB 4.27Å; Y356-V360 HydrophobicContact CE1-CG1 3.89Å; Y356-V360 HydrophobicContact CE1-CG2 4.01Å; Y356-V360 WeakPolarHBondContact O-CA 3.42Å; Y356-V360 VanDerWaalsContact O-CG2 3.3Å; Y356-V360 WeakPolarHBondContact O-CG2 3.31Å; Y356-V360 PolarHBondContact O-N 3.43Å; Y356-V360 VanDerWaalsContact O-N 3.08Å; Y356-H361 AromaticContact CD2-CE1 3.65Å; Y356-H361 AromaticContact CD2-ND1 3.94Å; Y356-H361 AromaticContact CE2-CE1 3.63Å; Y356-H361 AromaticContact CE2-ND1 3.69Å; Y356-H361 WeakPolarHBondContact CE2-O 3.46Å; Y356-H361 VanDerWaalsContact CZ-O 3.3Å; Y356-H361 PolarHBondContact OH-O 3.04Å; Y356-L363 HydrophobicContact CD2-CD2 4.14Å; Y356-L363 HydrophobicContact CE2-CD1 4.38Å; Y356-L363 HydrophobicContact CE2-CD2 3.47Å; Y356-L363 VanDerWaalsContact CE2-CD2 3.47Å; Y356-L363 HydrophobicContact CE2-CG 3.93Å
357	G	98.1	Very high	96.3	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.01	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-64.4	-16.3	175.4	0	0	0	0	0	115.2	S180 Y185 Q355	S180-G357 WeakPolarHBondContact O-CA 3.38Å; S180-G357 PolarHBondContact O-N 2.95Å; Y185-G357 WeakPolarHBondContact CB-O 3.29Å; Y185-G357 WeakPolarHBondContact CD2-O 3.28Å; Q355-G357 PolarHBondContact O-N 3.46Å; Q355-G357 VanDerWaalsContact O-N 3.12Å
358	K	97.9	Very high	96.3	Very high	118 Å²	118	66.6 Å²	66.6	51%	0.513	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-82.4	-29.5	171.2	-68.9	-177.9	175.3	167.2	0	112.8	A181 F184 Q355 Y356	A181-K358 HydrophobicContact CB-CD 4.43Å; A181-K358 HydrophobicContact CB-CG 3.92Å; F184-K358 HydrophobicContact CB-CG 4.17Å; F184-K358 HydrophobicContact CD1-CB 4.23Å; F184-K358 HydrophobicContact CD1-CG 3.78Å; F184-K358 HydrophobicContact CD2-CG 4.35Å; F184-K358 HydrophobicContact CE1-CB 4.4Å; F184-K358 HydrophobicContact CE1-CG 4.23Å; F184-K358 HydrophobicContact CG-CG 3.84Å; Q355-K358 HydrophobicContact CB-CD 4.29Å; Q355-K358 WeakPolarHBondContact O-CB 3.4Å; Q355-K358 PolarHBondContact O-N 2.96Å; Y356-K358 PolarHBondContact O-N 2.94Å
359	N	96	Very high	96.3	Very high	119 Å²	119	62.5 Å²	62.5	64%	0.636	35%	0.345	S	S	*	.	S	Bend	trans	-143.2	75.5	-178.5	-173.3	28	0	0	0	109.9	Y356 H361	Y356-N359 CarbonylContact O-C 3.38Å; Y356-N359 PolarHBondContact O-N 2.99Å; N359-H361 PolarHBondContact O-N 3.2Å; N359-H361 PolarHBondContact O-ND1 2.76Å
360	V	97.4	Very high	96.4	Very high	33 Å²	33	58.1 Å²	58.1	20%	0.2	31%	0.313	C	S	.	.			trans	-70.2	128.3	-179.8	173.9	0	0	0	0	109.1	Y185 F254 A271 D272 Y356	Y185-V360 HydrophobicContact CD2-CG2 3.49Å; Y185-V360 VanDerWaalsContact CD2-CG2 3.49Å; Y185-V360 HydrophobicContact CE2-CB 4.14Å; Y185-V360 HydrophobicContact CE2-CG2 3.5Å; Y185-V360 VanDerWaalsContact CE2-CG2 3.5Å; F254-V360 HydrophobicContact CD1-CG2 4Å; F254-V360 HydrophobicContact CE1-CG2 3.83Å; A271-V360 HydrophobicContact CB-CG1 4.46Å; D272-V360 HydrophobicContact CB-CG1 3.71Å; Y356-V360 HydrophobicContact CD1-CG2 4.13Å; Y356-V360 HydrophobicContact CE1-CB 4.27Å; Y356-V360 HydrophobicContact CE1-CG1 3.89Å; Y356-V360 HydrophobicContact CE1-CG2 4.01Å; Y356-V360 WeakPolarHBondContact O-CA 3.42Å; Y356-V360 VanDerWaalsContact O-CG2 3.3Å; Y356-V360 WeakPolarHBondContact O-CG2 3.31Å; Y356-V360 PolarHBondContact O-N 3.43Å; Y356-V360 VanDerWaalsContact O-N 3.08Å
361	H	95	Very high	96.6	Very high	86 Å²	86	58.7 Å²	58.7	40%	0.398	30%	0.296	S	S	.	.			trans	-148.1	157.6	-178.1	58.4	-82	0	0	0	110.2	Y356 N359 L363	Y356-H361 AromaticContact CD2-CE1 3.65Å; Y356-H361 AromaticContact CD2-ND1 3.94Å; Y356-H361 AromaticContact CE2-CE1 3.63Å; Y356-H361 AromaticContact CE2-ND1 3.69Å; Y356-H361 WeakPolarHBondContact CE2-O 3.46Å; Y356-H361 VanDerWaalsContact CZ-O 3.3Å; Y356-H361 PolarHBondContact OH-O 3.04Å; N359-H361 PolarHBondContact O-N 3.2Å; N359-H361 PolarHBondContact O-ND1 2.76Å; H361-L363 PolarHBondContact O-N 2.85Å
362	K	95.6	Very high	96.6	Very high	113 Å²	113	62.8 Å²	62.8	49%	0.491	32%	0.317	S	S	.	.			trans	-59.5	131.3	175.7	-69.8	-59.6	-169.5	-173.8	0	111.5	D272 D273	D272-K362 HydrophobicContact CB-CD 4.2Å; D272-K362 WeakPolarHBondContact O-CD 3.36Å; D272-K362 WeakPolarHBondContact O-CE 3.13Å; D272-K362 PolarHBondContact O-NZ 3.26Å; D272-K362 VanDerWaalsContact O-NZ 3.13Å; D272-K362 IonicContact OD1-NZ 3.43Å; D272-K362 PolarHBondContact OD1-NZ 3.07Å; D272-K362 IonicContact OD2-NZ 2.69Å; D273-K362 IonicContact OD1-NZ 3.27Å; D273-K362 PolarHBondContact OD1-NZ 2.88Å
363	L	91.1	Very high	96.5	Very high	55 Å²	55	66.8 Å²	66.8	29%	0.288	33%	0.334	S	S	.	.			trans	-89	0	-178.5	-66.1	-177.5	0	0	0	114.5	V232 K257 I258 H353 Y356 H361	V232-L363 HydrophobicContact CG1-CD1 3.88Å; K257-L363 HydrophobicContact CB-CB 4.43Å; K257-L363 VanDerWaalsContact CD-C 3.47Å; K257-L363 HydrophobicContact CD-CB 4.35Å; K257-L363 WeakPolarHBondContact CD-O 3.29Å; K257-L363 VanDerWaalsContact NZ-C 3.29Å; K257-L363 PolarHBondContact NZ-O 3.21Å; K257-L363 VanDerWaalsContact NZ-O 3.09Å; K257-L363 PolarHBondContact NZ-OXT 3.01Å; I258-L363 HydrophobicContact CD1-CD1 3.51Å; I258-L363 HydrophobicContact CG1-CD1 3.99Å; H353-L363 VanDerWaalsContact CE1-CD2 3.48Å; H353-L363 WeakPolarHBondContact CE1-CD2 3.44Å; Y356-L363 HydrophobicContact CD2-CD2 4.14Å; Y356-L363 HydrophobicContact CE2-CD1 4.38Å; Y356-L363 HydrophobicContact CE2-CD2 3.47Å; Y356-L363 VanDerWaalsContact CE2-CD2 3.47Å; Y356-L363 HydrophobicContact CE2-CG 3.93Å; H361-L363 PolarHBondContact O-N 2.85Å

Retrieved 363 of 363 residues in 320.9 ms (Link to these results)

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