A0A077Z9U3_TRITR Loading...

protein xylosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z9U3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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	36.2	Very low	30	Very low	235 Å²	235	132 Å²	132	100%	1.158	83%	0.83	S	S	*	*				0	84.4	0	-68	173.8	176.1	0	0	106.9
2	S	28.4	Very low	30	Very low	101 Å²	101	132 Å²	132	71%	0.706	83%	0.828	S	S	*	*				57.5	107.8	89.4	70.8	0	0	0	0	109.9
3	L	31.2	Very low	29.9	Very low	148 Å²	148	132.2 Å²	132.2	78%	0.775	83%	0.828	S	S	*	*				-177.4	125.3	61.1	-90.7	141	0	0	0	106.4
4	T	30	Very low	29.9	Very low	110 Å²	110	132.2 Å²	132.2	68%	0.675	83%	0.826	S	S	*	*				56	137.1	99.8	62.1	0	0	0	0	114.1
5	T	28.6	Very low	30	Very low	134 Å²	134	136.5 Å²	136.5	82%	0.822	83%	0.828	S	S	*	*			cis	175.4	156.7	16.4	18.9	0	0	0	0	107.8
6	G	29.5	Very low	29.9	Very low	68 Å²	68	142.1 Å²	142.1	70%	0.701	83%	0.83	S	S	*	*			trans	93.3	140.9	146.3	0	0	0	0	0	116.2
7	T	30.6	Very low	30.1	Very low	140 Å²	140	138.9 Å²	138.9	86%	0.859	82%	0.815	S	S	*	*			cis	-170.3	142.2	5	21.4	0	0	0	0	106.9
8	A	26.4	Very low	30.4	Very low	107 Å²	107	140.8 Å²	140.8	88%	0.884	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.7	177.9	0	0	0	0	0	112.6
9	T	31	Very low	31	Very low	144 Å²	144	135.4 Å²	135.4	88%	0.883	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-97.7	117.1	170.5	4.3	0	0	0	0	110
10	A	29.7	Very low	31.3	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.3	131	-178.4	0	0	0	0	0	113.1	T12	A10-T12 PolarHBondContact O-N 3.41Å
11	L	28.7	Very low	31.7	Very low	173 Å²	173	133.3 Å²	133.3	91%	0.906	77%	0.77	S	S	*	*			trans	-67.1	107.3	164	-85.7	142.5	0	0	0	109.4	T13	L11-T13 PolarHBondContact O-N 3.2Å; L11-T13 VanDerWaalsContact O-N 3.09Å
12	T	29.4	Very low	31.9	Very low	132 Å²	132	127.2 Å²	127.2	81%	0.81	74%	0.741	S	S	*	*			trans	-71	99.6	171.7	37.2	0	0	0	0	110.3	A10 V14	A10-T12 PolarHBondContact O-N 3.41Å; T12-V14 PolarHBondContact O-N 2.74Å; T12-V14 VanDerWaalsContact O-N 3.11Å
13	T	28.9	Very low	32.8	Very low	134 Å²	134	126.6 Å²	126.6	82%	0.822	73%	0.727	S	S	*	*			trans	-58.9	106.9	162.9	29.5	0	0	0	0	110	L11 K15	L11-T13 PolarHBondContact O-N 3.2Å; L11-T13 VanDerWaalsContact O-N 3.09Å; T13-K15 PolarHBondContact O-N 3.31Å; T13-K15 VanDerWaalsContact O-N 3.1Å
14	V	30.6	Very low	33.3	Very low	133 Å²	133	126.1 Å²	126.1	81%	0.806	73%	0.726	S	S	*	*			trans	-62.7	109.7	169.1	176.4	0	0	0	0	108.2	T12 R16	T12-V14 PolarHBondContact O-N 2.74Å; T12-V14 VanDerWaalsContact O-N 3.11Å; V14-R16 PolarHBondContact O-N 3.05Å
15	K	30.5	Very low	33.8	Very low	196 Å²	196	129.9 Å²	129.9	85%	0.852	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-51.2	120.9	176.3	-78	-179	173.4	-178.8	0	109.8	T13	T13-K15 PolarHBondContact O-N 3.31Å; T13-K15 VanDerWaalsContact O-N 3.1Å
16	R	28.9	Very low	34.6	Very low	227 Å²	227	127.2 Å²	127.2	86%	0.857	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-54.9	134.1	164	-70.2	176.6	177.6	177.2	0.9	107.6	V14 E18	V14-R16 PolarHBondContact O-N 3.05Å; R16-E18 PolarHBondContact O-N 3.11Å; R16-E18 VanDerWaalsContact O-N 3.15Å
17	P	32.8	Very low	35.4	Very low	88 Å²	88	128 Å²	128	57%	0.571	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-63.4	122	170	27	-30.6	0	0	0	107.4	V19	P17-V19 HydrophobicContact CB-CG2 3.72Å; P17-V19 HydrophobicContact CG-CG2 4.13Å; P17-V19 PolarHBondContact O-N 3.36Å
18	E	35.1	Very low	36.1	Very low	173 Å²	173	129.6 Å²	129.6	81%	0.808	71%	0.706	S	S	*	*			trans	-68.3	55	179.1	-71.8	-175.8	144.3	0	0	111.9	R16 N20	R16-E18 PolarHBondContact O-N 3.11Å; R16-E18 VanDerWaalsContact O-N 3.15Å; E18-N20 PolarHBondContact O-N 2.98Å; E18-N20 VanDerWaalsContact O-N 3.17Å
19	V	42.7	Very low	37.2	Very low	37 Å²	37	127.4 Å²	127.4	22%	0.224	68%	0.684	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	9.5	-177	-151.8	0	0	0	0	112.4	P17 L143	P17-V19 HydrophobicContact CB-CG2 3.72Å; P17-V19 HydrophobicContact CG-CG2 4.13Å; P17-V19 PolarHBondContact O-N 3.36Å; V19-L143 HydrophobicContact CB-CD1 4.2Å; V19-L143 HydrophobicContact CG1-CD1 3.32Å; V19-L143 HydrophobicContact CG1-CG 4.33Å
20	N	37.2	Very low	38	Very low	129 Å²	129	124.5 Å²	124.5	69%	0.69	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	6.8	-172.5	-110.3	2.7	0	0	0	115.7	E18	E18-N20 PolarHBondContact O-N 2.98Å; E18-N20 VanDerWaalsContact O-N 3.17Å
21	V	39.9	Very low	39.3	Very low	98 Å²	98	129.9 Å²	129.9	59%	0.594	68%	0.684	S	S	*	*	S	Bend	trans	-109.5	-21.4	-173.7	-171.2	0	0	0	0	114.1
22	L	40.7	Very low	41.5	Very low	107 Å²	107	127.4 Å²	127.4	56%	0.56	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-17.4	-171.4	-71.2	166.9	0	0	0	115.5	N24 R25	L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.96Å; L22-R25 PolarHBondContact O-N 3.39Å
23	Q	46.9	Very low	44.1	Very low	89 Å²	89	123.7 Å²	123.7	42%	0.416	66%	0.658	S	S	.	*	H	α-helix	trans	-70.3	-22	-174	-75.6	-174.1	-10.8	0	0	114.3
24	N	40.5	Very low	47.1	Very low	138 Å²	138	124.8 Å²	124.8	74%	0.738	65%	0.647	S	S	*	*	H	α-helix	trans	-85.2	-23.8	177.6	-82.1	-3.9	0	0	0	114.1	L22	L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.96Å
25	R	41.8	Very low	50.2	Low	188 Å²	188	122.8 Å²	122.8	71%	0.709	63%	0.628	S	S	*	*	H	α-helix	trans	-83	-32.7	-177.4	-74.2	-174.7	175.4	177.5	-1.3	113.5	L22	L22-R25 PolarHBondContact O-N 3.39Å
26	N	45.7	Very low	53.4	Low	78 Å²	78	113.5 Å²	113.5	42%	0.417	59%	0.587	S	S	.	*	H	α-helix	trans	-81.3	-23.6	-177.1	-71.5	-17.8	0	0	0	113.8	Q28 S29 V33	N26-Q28 PolarHBondContact O-N 3.24Å; N26-S29 PolarHBondContact O-N 3.15Å; N26-S29 PolarHBondContact O-OG 3.06Å; N26-V33 HydrophobicContact CB-CG2 4.44Å
27	A	45.5	Very low	56.7	Low	86 Å²	86	106 Å²	106	71%	0.711	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-20.1	174.5	0	0	0	0	0	112.9
28	Q	44.8	Very low	59.9	Low	172 Å²	172	101.9 Å²	101.9	80%	0.804	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-10.2	180	-68.4	-179.5	-16.7	0	0	113.8	N26	N26-Q28 PolarHBondContact O-N 3.24Å
29	S	50.9	Low	62.9	Low	62 Å²	62	93.6 Å²	93.6	43%	0.434	50%	0.495	S	S	.	.	S	Bend	trans	-105.5	6.8	-170.5	70.2	0	0	0	0	116.1	N26 R31	N26-S29 PolarHBondContact O-N 3.15Å; N26-S29 PolarHBondContact O-OG 3.06Å; S29-R31 PolarHBondContact O-N 2.87Å
30	G	47.8	Very low	65.6	Low	83 Å²	83	91.9 Å²	91.9	86%	0.856	49%	0.485	S	S	*	.			trans	62.2	0.9	178.7	0	0	0	0	0	115.4
31	R	57	Low	68.5	Low	204 Å²	204	85.9 Å²	85.9	77%	0.77	45%	0.453	S	S	*	.			trans	-75.8	131.5	176.9	-80.8	-178.2	166.2	174.6	-3.2	110.2	S29 V33	S29-R31 PolarHBondContact O-N 2.87Å; R31-V33 PolarHBondContact O-N 3.05Å
32	S	73.6	Confident	71.2	Confident	122 Å²	122	81.2 Å²	81.2	85%	0.853	42%	0.424	S	S	*	.			trans	-52.5	114.6	169.4	179.6	0	0	0	0	109.6	R34	S32-R34 PolarHBondContact O-N 2.79Å
33	V	83.7	Confident	73.8	Confident	54 Å²	54	76.7 Å²	76.7	33%	0.327	40%	0.4	S	S	.	.			trans	-71.2	119.7	-178.9	-175.5	0	0	0	0	108.4	N26 R31 K35 I142	N26-V33 HydrophobicContact CB-CG2 4.44Å; R31-V33 PolarHBondContact O-N 3.05Å; V33-K35 PolarHBondContact O-N 3.31Å; V33-I142 HydrophobicContact CB-CD1 4.47Å; V33-I142 HydrophobicContact CG1-CB 4.29Å; V33-I142 HydrophobicContact CG1-CD1 3.94Å; V33-I142 HydrophobicContact CG1-CG1 3.73Å; V33-I142 HydrophobicContact CG1-CG2 3.64Å
34	R	92.6	Very high	76.1	Confident	157 Å²	157	72.5 Å²	72.5	59%	0.592	38%	0.381	S	S	*	.			trans	-55.7	128.6	176.3	-168.9	178.2	92.4	103.1	-10.4	110.2	S32 A145	S32-R34 PolarHBondContact O-N 2.79Å; R34-A145 HydrophobicContact CB-CB 4.32Å; R34-A145 HydrophobicContact CG-CB 4.14Å; R34-A145 PolarHBondContact NE-O 3.24Å; R34-A145 PolarHBondContact NH2-O 2.75Å; R34-A145 VanDerWaalsContact O-CB 3.22Å; R34-A145 WeakPolarHBondContact O-CB 3.28Å
35	K	96.3	Very high	78.3	Confident	91 Å²	91	68.1 Å²	68.1	40%	0.396	36%	0.358	S	S	.	.			trans	-114.5	133.9	174.5	-67.9	-174.1	-175.2	179.8	0	109.6	V33 D138 A141 I142	V33-K35 PolarHBondContact O-N 3.31Å; K35-D138 IonicContact NZ-OD1 2.78Å; K35-D138 PolarHBondContact NZ-OD1 3.42Å; K35-A141 HydrophobicContact CB-CB 3.96Å; K35-A141 HydrophobicContact CG-CB 4.3Å; K35-I142 HydrophobicContact CG-CG1 4.02Å
36	A	97.7	Very high	80.2	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-74.7	145.7	170.7	0	0	0	0	0	109.8	D122 Y123 A141 L144 A145	A36-D122 VanDerWaalsContact CA-OD2 3.26Å; A36-D122 WeakPolarHBondContact CA-OD2 3.14Å; A36-D122 HydrophobicContact CB-CB 4.12Å; A36-Y123 HydrophobicContact CB-CD2 4.19Å; A36-Y123 HydrophobicContact CB-CE2 4.45Å; A36-A141 WeakPolarHBondContact CB-O 3.44Å; A36-A141 PolarHBondContact N-O 3.21Å; A36-A141 WeakPolarHBondContact O-CB 3.33Å; A36-L144 HydrophobicContact CB-CB 3.79Å; A36-A145 HydrophobicContact CB-CB 4.22Å
37	K	98.2	Very high	82.1	Confident	70 Å²	70	58.5 Å²	58.5	30%	0.304	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-85.3	126.2	171.1	-68.7	179.5	-177.7	175.4	0	108.9	N120 D122 Y123	K37-N120 WeakPolarHBondContact CD-O 3.38Å; K37-N120 VanDerWaalsContact CD-OD1 3.29Å; K37-N120 WeakPolarHBondContact CD-OD1 3.29Å; K37-N120 VanDerWaalsContact NZ-CG 3.26Å; K37-N120 PolarHBondContact NZ-ND2 3.18Å; K37-N120 VanDerWaalsContact NZ-ND2 3.12Å; K37-N120 PolarHBondContact NZ-OD1 2.87Å; K37-D122 PolarHBondContact N-OD2 3.41Å; K37-D122 PolarHBondContact O-N 3.32Å; K37-Y123 PolarHBondContact O-N 3.24Å
38	I	98.7	Very high	84.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.6	-174.4	-58.3	171.4	0	0	0	108.9	F40 H64 I65 V125 V137 L140 A141 L144	I38-F40 HydrophobicContact CB-CD2 4.42Å; I38-F40 HydrophobicContact CB-CE2 3.95Å; I38-F40 HydrophobicContact CB-CZ 4.3Å; I38-F40 HydrophobicContact CD1-CZ 4.35Å; I38-F40 HydrophobicContact CG2-CD1 4.27Å; I38-F40 HydrophobicContact CG2-CD2 3.89Å; I38-F40 HydrophobicContact CG2-CE1 4.03Å; I38-F40 HydrophobicContact CG2-CE2 3.63Å; I38-F40 HydrophobicContact CG2-CG 4.23Å; I38-F40 HydrophobicContact CG2-CZ 3.71Å; I38-H64 PolarHBondContact N-ND1 2.89Å; I38-H64 WeakPolarHBondContact O-CA 3.37Å; I38-H64 VanDerWaalsContact O-CB 3.27Å; I38-H64 WeakPolarHBondContact O-CB 3.3Å; I38-I65 PolarHBondContact O-N 3.46Å; I38-V125 HydrophobicContact CG2-CB 4.07Å; I38-V125 HydrophobicContact CG2-CG2 3.57Å; I38-V137 HydrophobicContact CD1-CG1 4Å; I38-L140 HydrophobicContact CD1-CB 4.44Å; I38-L140 HydrophobicContact CD1-CD2 3.91Å; I38-L140 HydrophobicContact CD1-CG 3.95Å; I38-A141 HydrophobicContact CD1-CB 4.22Å; I38-L144 HydrophobicContact CD1-CD1 4.05Å; I38-L144 HydrophobicContact CG1-CD1 4.06Å
39	A	98.8	Very high	86.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.4	162.9	0	0	0	0	0	109.8	I65 L114 W121 Y123 I124 V125	A39-I65 CarbonylContact C-O 3.42Å; A39-I65 WeakPolarHBondContact CA-O 3.35Å; A39-I65 HydrophobicContact CB-CG2 3.5Å; A39-I65 VanDerWaalsContact CB-CG2 3.5Å; A39-L114 HydrophobicContact CB-CD1 3.93Å; A39-L114 HydrophobicContact CB-CD2 3.39Å; A39-L114 HydrophobicContact CB-CG 4.15Å; A39-W121 HydrophobicContact CB-CB 4.03Å; A39-W121 HydrophobicContact CB-CD2 3.86Å; A39-W121 HydrophobicContact CB-CE3 4.06Å; A39-W121 HydrophobicContact CB-CG 3.85Å; A39-Y123 PolarHBondContact N-O 3.14Å; A39-I124 HydrophobicContact CB-CG1 4.22Å; A39-I124 CarbonylContact O-C 3.58Å; A39-I124 VanDerWaalsContact O-CA 3.25Å; A39-I124 WeakPolarHBondContact O-CA 3.21Å; A39-V125 PolarHBondContact O-N 3.27Å
40	F	98.7	Very high	88.2	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113	174.2	-71.6	-79.8	0	0	0	109.7	I38 L42 I59 H64 I65 Y66 L67 V125 L127 V137 F301	I38-F40 HydrophobicContact CB-CD2 4.42Å; I38-F40 HydrophobicContact CB-CE2 3.95Å; I38-F40 HydrophobicContact CB-CZ 4.3Å; I38-F40 HydrophobicContact CD1-CZ 4.35Å; I38-F40 HydrophobicContact CG2-CD1 4.27Å; I38-F40 HydrophobicContact CG2-CD2 3.89Å; I38-F40 HydrophobicContact CG2-CE1 4.03Å; I38-F40 HydrophobicContact CG2-CE2 3.63Å; I38-F40 HydrophobicContact CG2-CG 4.23Å; I38-F40 HydrophobicContact CG2-CZ 3.71Å; F40-L42 HydrophobicContact CB-CD2 3.93Å; F40-L42 HydrophobicContact CB-CG 4.24Å; F40-I59 HydrophobicContact CD1-CD1 4.21Å; F40-I59 HydrophobicContact CE1-CD1 4.43Å; F40-I59 HydrophobicContact CG-CD1 4.36Å; F40-I59 HydrophobicContact CZ-CB 4.44Å; F40-H64 HydrophobicContact CD2-CB 4.39Å; F40-H64 HydrophobicContact CE2-CB 4.26Å; F40-H64 AromaticContact CE2-CD2 3.82Å; F40-I65 PolarHBondContact N-O 2.8Å; F40-Y66 HydrophobicContact CB-CD1 3.68Å; F40-Y66 HydrophobicContact CB-CE1 4.13Å; F40-Y66 HydrophobicContact CB-CG 4.46Å; F40-Y66 AromaticContact CD2-CD1 3.7Å; F40-Y66 HydrophobicContact CD2-CD1 3.7Å; F40-Y66 AromaticContact CD2-CE1 3.23Å; F40-Y66 HydrophobicContact CD2-CE1 3.23Å; F40-Y66 AromaticContact CD2-CZ 3.82Å; F40-Y66 AromaticContact CE2-CE1 3.82Å; F40-Y66 HydrophobicContact CE2-CE1 3.82Å; F40-Y66 AromaticContact CG-CD1 3.96Å; F40-Y66 HydrophobicContact CG-CD1 3.96Å; F40-Y66 AromaticContact CG-CE1 3.86Å; F40-Y66 HydrophobicContact CG-CE1 3.86Å; F40-L67 PolarHBondContact O-N 3.48Å; F40-V125 WeakPolarHBondContact CA-O 3.16Å; F40-V125 HydrophobicContact CD1-CB 4.01Å; F40-V125 HydrophobicContact CD1-CG1 4.23Å; F40-V125 HydrophobicContact CE1-CB 4.06Å; F40-V125 HydrophobicContact CE1-CG1 4.09Å; F40-L127 HydrophobicContact CD1-CD1 3.65Å; F40-L127 HydrophobicContact CE1-CD1 3.96Å; F40-V137 HydrophobicContact CE2-CG1 4.24Å; F40-V137 HydrophobicContact CZ-CG1 3.87Å; F40-V137 HydrophobicContact CZ-CG2 4.22Å; F40-F301 AromaticContact CE1-CZ 3.89Å; F40-F301 HydrophobicContact CE1-CZ 3.89Å
41	L	98.4	Very high	90.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	105.4	169.8	-171	164.1	0	0	0	107.6	F107 V110 M111 I124 V125 N126 L127	L41-F107 HydrophobicContact CD1-CD1 3.91Å; L41-F107 HydrophobicContact CD1-CE1 4.49Å; L41-F107 HydrophobicContact CD2-CD1 3.85Å; L41-F107 HydrophobicContact CD2-CE1 3.77Å; L41-V110 HydrophobicContact CD1-CB 4.2Å; L41-V110 HydrophobicContact CD1-CG1 3.8Å; L41-V110 HydrophobicContact CD2-CG1 4.42Å; L41-V110 HydrophobicContact CG-CG1 3.73Å; L41-M111 HydrophobicContact CD1-CE 4.41Å; L41-M111 HydrophobicContact CD1-CG 4.13Å; L41-I124 HydrophobicContact CB-CG2 3.92Å; L41-I124 HydrophobicContact CD1-CG2 4.5Å; L41-V125 PolarHBondContact N-O 2.99Å; L41-N126 HydrophobicContact CB-CB 4.4Å; L41-N126 HydrophobicContact CD2-CB 4.45Å; L41-N126 CarbonylContact O-C 3.15Å; L41-N126 VanDerWaalsContact O-CA 3.25Å; L41-N126 WeakPolarHBondContact O-CA 3.2Å; L41-L127 PolarHBondContact O-N 3.49Å
42	L	97.4	Very high	91.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114	-175.2	-54.8	-174.6	0	0	0	109.3	F40 F44 M55 L56 I59 Y66 L67 V68 H69 F87 L127	F40-L42 HydrophobicContact CB-CD2 3.93Å; F40-L42 HydrophobicContact CB-CG 4.24Å; L42-F44 HydrophobicContact CB-CE1 3.89Å; L42-F44 HydrophobicContact CB-CE2 4.2Å; L42-F44 HydrophobicContact CB-CZ 3.66Å; L42-F44 HydrophobicContact CD1-CE2 4.48Å; L42-F44 HydrophobicContact CD1-CZ 3.86Å; L42-F44 HydrophobicContact CG-CZ 4.28Å; L42-M55 HydrophobicContact CD1-CE 4.44Å; L42-M55 HydrophobicContact CD2-CE 4.2Å; L42-L56 HydrophobicContact CD1-CD2 3.74Å; L42-I59 HydrophobicContact CD2-CD1 4.43Å; L42-Y66 HydrophobicContact CD1-CD1 4.42Å; L42-L67 PolarHBondContact N-O 3.07Å; L42-V68 HydrophobicContact CB-CB 4.32Å; L42-V68 HydrophobicContact CB-CG1 4.09Å; L42-V68 HydrophobicContact CB-CG2 4.01Å; L42-V68 HydrophobicContact CD1-CG2 3.93Å; L42-V68 HydrophobicContact CG-CG2 4.34Å; L42-V68 CarbonylContact O-C 3.59Å; L42-V68 WeakPolarHBondContact O-CA 3.4Å; L42-H69 PolarHBondContact O-N 3.05Å; L42-F87 HydrophobicContact CD1-CE2 4.43Å; L42-L127 WeakPolarHBondContact CA-O 3.38Å; L42-L127 HydrophobicContact CD2-CB 3.76Å; L42-L127 HydrophobicContact CD2-CD1 3.99Å; L42-L127 HydrophobicContact CD2-CG 4.33Å
43	Q	95.5	Very high	92.7	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.9	176.8	70.4	-171.4	51.4	0	0	109.5	M106 L127 S128 W199	Q43-M106 HydrophobicContact CB-CE 3.94Å; Q43-L127 PolarHBondContact N-O 3.36Å; Q43-S128 WeakPolarHBondContact O-CA 3.15Å; Q43-W199 HydrophobicContact CG-CH2 4.23Å; Q43-W199 VanDerWaalsContact NE2-CH2 3.31Å
44	F	93.8	Very high	93.1	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.4	-179.4	-59.6	-27.6	0	0	0	111.2	L42 V52 M55 V68 H69 V70 D71 V79 E129	L42-F44 HydrophobicContact CB-CE1 3.89Å; L42-F44 HydrophobicContact CB-CE2 4.2Å; L42-F44 HydrophobicContact CB-CZ 3.66Å; L42-F44 HydrophobicContact CD1-CE2 4.48Å; L42-F44 HydrophobicContact CD1-CZ 3.86Å; L42-F44 HydrophobicContact CG-CZ 4.28Å; F44-V52 HydrophobicContact CD1-CG2 4.04Å; F44-V52 HydrophobicContact CD2-CG1 4.17Å; F44-V52 HydrophobicContact CD2-CG2 3.97Å; F44-V52 HydrophobicContact CE1-CG1 4.41Å; F44-V52 HydrophobicContact CE1-CG2 3.87Å; F44-V52 HydrophobicContact CE2-CB 4.21Å; F44-V52 HydrophobicContact CE2-CG1 3.33Å; F44-V52 HydrophobicContact CE2-CG2 3.79Å; F44-V52 HydrophobicContact CG-CG2 4.11Å; F44-V52 HydrophobicContact CZ-CB 4.21Å; F44-V52 HydrophobicContact CZ-CG1 3.47Å; F44-V52 VanDerWaalsContact CZ-CG1 3.47Å; F44-V52 HydrophobicContact CZ-CG2 3.73Å; F44-M55 HydrophobicContact CE1-CE 3.93Å; F44-M55 HydrophobicContact CZ-CE 3.91Å; F44-V68 HydrophobicContact CD2-CG1 3.29Å; F44-V68 HydrophobicContact CE2-CG1 3.36Å; F44-V68 HydrophobicContact CE2-CG2 4.44Å; F44-V68 HydrophobicContact CG-CG1 4.16Å; F44-V68 HydrophobicContact CZ-CG1 4.28Å; F44-H69 PolarHBondContact N-O 2.81Å; F44-V70 HydrophobicContact CB-CG1 4.47Å; F44-V70 HydrophobicContact CB-CG2 4.32Å; F44-V70 HydrophobicContact CD2-CG2 4.27Å; F44-V70 WeakPolarHBondContact O-CA 3.49Å; F44-D71 PolarHBondContact O-N 3.18Å; F44-V79 HydrophobicContact CD2-CG2 4.4Å; F44-E129 HydrophobicContact CD1-CB 3.78Å; F44-E129 HydrophobicContact CE1-CB 4.17Å
45	N	86.9	Confident	93.2	Very high	47 Å²	47	23.9 Å²	23.9	25%	0.251	11%	0.114	S	C	.	.			trans	-105.9	-18.6	-177.7	-67.3	-11.2	0	0	0	112.8	T96 E129	N45-T96 PolarHBondContact ND2-OG1 3.14Å; N45-T96 PolarHBondContact OD1-OG1 2.9Å; N45-E129 PolarHBondContact N-OE1 3.47Å; N45-E129 PolarHBondContact N-OE2 2.88Å
46	G	82.3	Confident	93	Very high	24 Å²	24	20.4 Å²	20.4	25%	0.247	10%	0.1	C	C	.	.	S	Bend	trans	-101.3	-162.8	-179.9	0	0	0	0	0	114.5	T75 E129	G46-T75 PolarHBondContact O-OG1 3.42Å; G46-E129 WeakPolarHBondContact CA-OE1 3.47Å; G46-E129 PolarHBondContact N-OE1 2.93Å
47	R	86.1	Confident	92.7	Very high	39 Å²	39	25.8 Å²	25.8	15%	0.147	12%	0.12	C	C	.	.	S	Bend	trans	-116.4	12	-176.2	-58.2	-177.6	178.6	-114.4	-7	113.9	V49 E72 Q335 N336 D337 H339 D342	R47-V49 PolarHBondContact O-N 2.91Å; R47-E72 IonicContact CZ-OE2 3.15Å; R47-E72 IonicContact NE-OE2 3.81Å; R47-E72 IonicContact NH2-OE2 3.8Å; R47-E72 PolarHBondContact NH2-OE2 2.85Å; R47-Q335 HydrophobicContact CB-CG 4.3Å; R47-N336 WeakPolarHBondContact CB-O 3.16Å; R47-N336 WeakPolarHBondContact CD-O 3.46Å; R47-N336 PolarHBondContact NH1-OD1 2.76Å; R47-D337 PolarHBondContact NE-O 2.89Å; R47-H339 VanDerWaalsContact NH1-N 3.13Å; R47-D342 IonicContact CZ-OD2 2.71Å; R47-D342 IonicContact NH1-OD2 3.37Å; R47-D342 PolarHBondContact NH1-OD2 2.63Å; R47-D342 IonicContact NH2-OD1 3.91Å; R47-D342 IonicContact NH2-OD2 3.46Å; R47-D342 PolarHBondContact NH2-OD2 3.43Å
48	A	88.9	Confident	92.5	Very high	10 Å²	10	22.8 Å²	22.8	8%	0.083	11%	0.107	C	C	.	.			trans	-76.7	49.7	-176.4	0	0	0	0	0	112.5	R50 Q51 V52 E129 Q335	A48-R50 PolarHBondContact O-N 3.06Å; A48-R50 VanDerWaalsContact O-N 3.1Å; A48-Q51 HydrophobicContact CB-CB 3.82Å; A48-Q51 WeakPolarHBondContact O-CA 3.24Å; A48-Q51 VanDerWaalsContact O-CB 3.31Å; A48-Q51 WeakPolarHBondContact O-CB 3.44Å; A48-Q51 PolarHBondContact O-N 3.33Å; A48-V52 PolarHBondContact O-N 2.97Å; A48-E129 HydrophobicContact CB-CG 4.41Å; A48-Q335 VanDerWaalsContact CB-OE1 3.28Å
49	V	89.4	Confident	92.4	Very high	27 Å²	27	22.8 Å²	22.8	16%	0.164	11%	0.107	C	C	.	.	H	α-helix	trans	-54.3	-36.1	-176.5	178.4	0	0	0	0	111.8	R47 V52 K53 T75 A78	R47-V49 PolarHBondContact O-N 2.91Å; V49-V52 WeakPolarHBondContact O-CB 3.47Å; V49-V52 PolarHBondContact O-N 3.13Å; V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 2.92Å; V49-T75 HydrophobicContact CG2-CG2 3.85Å; V49-A78 HydrophobicContact CG1-CB 3.94Å; V49-A78 HydrophobicContact CG2-CB 4.01Å
50	R	89.9	Confident	92.3	Very high	66 Å²	66	26.9 Å²	26.9	25%	0.249	12%	0.123	C	C	.	.	H	α-helix	trans	-67.9	-38.9	176.5	-73.4	-172.7	164.4	-118	-13.9	112.5	A48 K53 R54 Y333 W334 H474	A48-R50 PolarHBondContact O-N 3.06Å; A48-R50 VanDerWaalsContact O-N 3.1Å; R50-K53 PolarHBondContact O-N 3.13Å; R50-R54 PolarHBondContact O-N 3.05Å; R50-Y333 HydrophobicContact CB-CD2 4.5Å; R50-Y333 HydrophobicContact CB-CE2 3.61Å; R50-W334 WeakPolarHBondContact CD-O 3.48Å; R50-W334 VanDerWaalsContact NE-CD2 3.3Å; R50-W334 VanDerWaalsContact NH2-NE1 3.17Å; R50-H474 PolarHBondContact NH2-O 3.36Å
51	Q	91.5	Very high	92.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-41.8	173.2	-179.5	55.2	22.6	0	0	111.5	A48 K53 R54 M55 E129 L132 P307	A48-Q51 HydrophobicContact CB-CB 3.82Å; A48-Q51 WeakPolarHBondContact O-CA 3.24Å; A48-Q51 VanDerWaalsContact O-CB 3.31Å; A48-Q51 WeakPolarHBondContact O-CB 3.44Å; A48-Q51 PolarHBondContact O-N 3.33Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.38Å; Q51-R54 WeakPolarHBondContact O-CA 3.28Å; Q51-R54 WeakPolarHBondContact O-CB 3.3Å; Q51-R54 PolarHBondContact O-N 3.02Å; Q51-R54 VanDerWaalsContact O-N 3.08Å; Q51-M55 PolarHBondContact O-N 3.13Å; Q51-E129 VanDerWaalsContact CG-O 3.29Å; Q51-E129 WeakPolarHBondContact CG-O 3.2Å; Q51-L132 VanDerWaalsContact NE2-CD2 3.25Å; Q51-P307 HydrophobicContact CB-CG 4.14Å; Q51-P307 HydrophobicContact CG-CG 4.48Å
52	V	91.8	Very high	92.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-55.4	-49.9	173.1	168.2	0	0	0	0	110.3	F44 A48 V49 R54 M55 L56 E129	F44-V52 HydrophobicContact CD1-CG2 4.04Å; F44-V52 HydrophobicContact CD2-CG1 4.17Å; F44-V52 HydrophobicContact CD2-CG2 3.97Å; F44-V52 HydrophobicContact CE1-CG1 4.41Å; F44-V52 HydrophobicContact CE1-CG2 3.87Å; F44-V52 HydrophobicContact CE2-CB 4.21Å; F44-V52 HydrophobicContact CE2-CG1 3.33Å; F44-V52 HydrophobicContact CE2-CG2 3.79Å; F44-V52 HydrophobicContact CG-CG2 4.11Å; F44-V52 HydrophobicContact CZ-CB 4.21Å; F44-V52 HydrophobicContact CZ-CG1 3.47Å; F44-V52 VanDerWaalsContact CZ-CG1 3.47Å; F44-V52 HydrophobicContact CZ-CG2 3.73Å; A48-V52 PolarHBondContact O-N 2.97Å; V49-V52 WeakPolarHBondContact O-CB 3.47Å; V49-V52 PolarHBondContact O-N 3.13Å; V52-R54 VanDerWaalsContact C-N 3.28Å; V52-R54 PolarHBondContact O-N 3.02Å; V52-M55 PolarHBondContact O-N 3.42Å; V52-L56 HydrophobicContact CG1-CD1 3.88Å; V52-L56 HydrophobicContact CG1-CG 4.23Å; V52-L56 WeakPolarHBondContact O-CB 3.49Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.44Å; V52-L56 PolarHBondContact O-N 3.32Å; V52-E129 HydrophobicContact CG2-CB 3.66Å
53	K	90.9	Very high	92	Very high	90 Å²	90	38 Å²	38	39%	0.391	18%	0.181	S	C	.	.	H	α-helix	trans	-59	-37.7	176.5	-71.1	-178	-177.1	-167.5	0	112.6	V49 R50 Q51 R57 L82	V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 2.92Å; R50-K53 PolarHBondContact O-N 3.13Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.38Å; K53-R57 WeakPolarHBondContact O-CG 3.35Å; K53-R57 PolarHBondContact O-N 3.37Å; K53-L82 HydrophobicContact CG-CD1 4.22Å
54	R	91.3	Very high	92.1	Very high	17 Å²	17	37.6 Å²	37.6	6%	0.064	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-49.8	174.4	-79	179.7	169.1	-151.3	-4.1	111.5	R50 Q51 V52 L56 R57 E315 E318 F328	R50-R54 PolarHBondContact O-N 3.05Å; Q51-R54 WeakPolarHBondContact O-CA 3.28Å; Q51-R54 WeakPolarHBondContact O-CB 3.3Å; Q51-R54 PolarHBondContact O-N 3.02Å; Q51-R54 VanDerWaalsContact O-N 3.08Å; V52-R54 VanDerWaalsContact C-N 3.28Å; V52-R54 PolarHBondContact O-N 3.02Å; R54-L56 PolarHBondContact O-N 2.96Å; R54-R57 PolarHBondContact O-N 3.33Å; R54-E315 IonicContact NH1-OE1 2.68Å; R54-E315 IonicContact NH2-OE1 2.67Å; R54-E315 PolarHBondContact NH2-OE1 3.18Å; R54-E315 VanDerWaalsContact NH2-OE1 3.15Å; R54-E318 VanDerWaalsContact CB-OE1 3.27Å; R54-E318 WeakPolarHBondContact CB-OE1 3.08Å; R54-E318 WeakPolarHBondContact CD-OE1 3.48Å; R54-E318 WeakPolarHBondContact CG-OE1 3.32Å; R54-E318 IonicContact NE-OE1 2.88Å; R54-F328 PolarHBondContact NH2-O 3.46Å
55	M	94.5	Very high	92.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-47.4	176.4	-175.9	-170.9	63.3	0	0	111.5	L42 F44 Q51 V52 R57 M58 I59 L127 L132	L42-M55 HydrophobicContact CD1-CE 4.44Å; L42-M55 HydrophobicContact CD2-CE 4.2Å; F44-M55 HydrophobicContact CE1-CE 3.93Å; F44-M55 HydrophobicContact CZ-CE 3.91Å; Q51-M55 PolarHBondContact O-N 3.13Å; V52-M55 PolarHBondContact O-N 3.42Å; M55-R57 VanDerWaalsContact C-N 3.3Å; M55-R57 PolarHBondContact O-N 3.35Å; M55-M58 WeakPolarHBondContact O-CB 3.44Å; M55-M58 PolarHBondContact O-N 2.95Å; M55-I59 HydrophobicContact CE-CD1 4.35Å; M55-I59 HydrophobicContact CG-CD1 4.46Å; M55-I59 PolarHBondContact O-N 3.49Å; M55-I59 VanDerWaalsContact O-N 3.15Å; M55-L127 HydrophobicContact SD-CB 4.48Å; M55-L127 HydrophobicContact SD-CD1 4.38Å; M55-L132 HydrophobicContact CB-CD2 4.03Å; M55-L132 HydrophobicContact CG-CD2 4.23Å
56	L	93.4	Very high	92.8	Very high	17 Å²	17	36 Å²	36	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-39.7	-180	-70.7	176.8	0	0	0	112.3	L42 V52 R54 M58 I59 Y60 L82 F87	L42-L56 HydrophobicContact CD1-CD2 3.74Å; V52-L56 HydrophobicContact CG1-CD1 3.88Å; V52-L56 HydrophobicContact CG1-CG 4.23Å; V52-L56 WeakPolarHBondContact O-CB 3.49Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.44Å; V52-L56 PolarHBondContact O-N 3.32Å; R54-L56 PolarHBondContact O-N 2.96Å; L56-M58 PolarHBondContact O-N 2.96Å; L56-I59 HydrophobicContact CD2-CD1 4.21Å; L56-I59 HydrophobicContact CD2-CG1 4.37Å; L56-I59 PolarHBondContact O-N 3.2Å; L56-Y60 WeakPolarHBondContact O-CA 3.47Å; L56-Y60 WeakPolarHBondContact O-CB 3.44Å; L56-Y60 PolarHBondContact O-N 3.23Å; L56-L82 HydrophobicContact CD1-CD1 3.96Å; L56-F87 HydrophobicContact CD1-CE2 3.67Å; L56-F87 HydrophobicContact CD1-CZ 3.87Å; L56-F87 HydrophobicContact CD2-CE2 3.71Å; L56-F87 HydrophobicContact CG-CE2 4.36Å
57	R	91.4	Very high	93.6	Very high	114 Å²	114	35.2 Å²	35.2	43%	0.43	16%	0.161	S	C	.	.	H	α-helix	trans	-60.2	-29.4	175.5	-68.2	172.1	-159.1	165.4	-4.3	113.7	K53 R54 M55	K53-R57 WeakPolarHBondContact O-CG 3.35Å; K53-R57 PolarHBondContact O-N 3.37Å; R54-R57 PolarHBondContact O-N 3.33Å; M55-R57 VanDerWaalsContact C-N 3.3Å; M55-R57 PolarHBondContact O-N 3.35Å
58	M	94	Very high	94.1	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.034	15%	0.154	C	C	.	.	H	α-helix	trans	-84	-30.8	-179.6	-66.6	-176.7	-81.8	0	0	112.5	M55 L56 L132 P133 E318 L321 L322	M55-M58 WeakPolarHBondContact O-CB 3.44Å; M55-M58 PolarHBondContact O-N 2.95Å; L56-M58 PolarHBondContact O-N 2.96Å; M58-L132 HydrophobicContact CE-CD2 3.34Å; M58-L132 HydrophobicContact CE-CG 4.35Å; M58-P133 HydrophobicContact CB-CG 3.56Å; M58-P133 HydrophobicContact CG-CG 4.46Å; M58-P133 HydrophobicContact SD-CG 4.16Å; M58-E318 HydrophobicContact CE-CG 3.84Å; M58-E318 HydrophobicContact SD-CB 4.32Å; M58-E318 HydrophobicContact SD-CG 3.69Å; M58-L321 HydrophobicContact CB-CD1 4.45Å; M58-L321 HydrophobicContact CG-CD1 4.46Å; M58-L321 HydrophobicContact SD-CD1 3.82Å; M58-L322 HydrophobicContact CG-CD1 4.01Å; M58-L322 HydrophobicContact CG-CG 4.25Å
59	I	96.3	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-100.9	-23.8	-175.9	69.1	171.6	0	0	0	114.4	F40 L42 M55 L56 Y66 L127 P133 V137 F301	F40-I59 HydrophobicContact CD1-CD1 4.21Å; F40-I59 HydrophobicContact CE1-CD1 4.43Å; F40-I59 HydrophobicContact CG-CD1 4.36Å; F40-I59 HydrophobicContact CZ-CB 4.44Å; L42-I59 HydrophobicContact CD2-CD1 4.43Å; M55-I59 HydrophobicContact CE-CD1 4.35Å; M55-I59 HydrophobicContact CG-CD1 4.46Å; M55-I59 PolarHBondContact O-N 3.49Å; M55-I59 VanDerWaalsContact O-N 3.15Å; L56-I59 HydrophobicContact CD2-CD1 4.21Å; L56-I59 HydrophobicContact CD2-CG1 4.37Å; L56-I59 PolarHBondContact O-N 3.2Å; I59-Y66 HydrophobicContact CD1-CD1 4.4Å; I59-Y66 HydrophobicContact CD1-CE1 4.08Å; I59-Y66 HydrophobicContact CG1-CE1 4.08Å; I59-Y66 PolarHBondContact O-OH 2.81Å; I59-Y66 VanDerWaalsContact O-OH 3.1Å; I59-L127 HydrophobicContact CD1-CD1 3.93Å; I59-P133 HydrophobicContact CG2-CB 4.34Å; I59-P133 HydrophobicContact CG2-CG 3.81Å; I59-V137 HydrophobicContact CB-CG2 3.87Å; I59-V137 HydrophobicContact CG2-CG2 3.96Å; I59-F301 HydrophobicContact CG2-CE1 4.02Å
60	Y	96.2	Very high	94.6	Very high	87 Å²	87	31.7 Å²	31.7	34%	0.341	14%	0.142	S	C	.	.			trans	-65.4	134.3	-170.2	-175.2	-90.9	0	0	0	112.5	L56 Y66 N86	L56-Y60 WeakPolarHBondContact O-CA 3.47Å; L56-Y60 WeakPolarHBondContact O-CB 3.44Å; L56-Y60 PolarHBondContact O-N 3.23Å; Y60-Y66 VanDerWaalsContact CA-OH 3.25Å; Y60-Y66 WeakPolarHBondContact CA-OH 3.43Å; Y60-Y66 HydrophobicContact CD2-CD2 4.02Å; Y60-Y66 AromaticContact CD2-CE2 3.59Å; Y60-Y66 HydrophobicContact CD2-CE2 3.59Å; Y60-Y66 AromaticContact CD2-CZ 3.92Å; Y60-Y66 HydrophobicContact CE2-CD2 4.1Å; Y60-Y66 AromaticContact CE2-CE2 3.84Å; Y60-Y66 HydrophobicContact CE2-CE2 3.84Å; Y60-Y66 HydrophobicContact CG-CE2 4.44Å; Y60-N86 WeakPolarHBondContact CE2-OD1 3.24Å; Y60-N86 PolarHBondContact OH-ND2 2.87Å; Y60-N86 PolarHBondContact OH-OD1 2.9Å
61	R	96.2	Very high	94.5	Very high	60 Å²	60	29.2 Å²	29.2	23%	0.226	13%	0.134	C	C	.	.			trans	-152	134.4	179.2	-68.1	-61.2	-177.2	-79	-2.9	108	E63 H64 Y66 N86 D138	R61-E63 HydrophobicContact CB-CG 4.35Å; R61-E63 WeakPolarHBondContact CB-OE2 3.43Å; R61-E63 PolarHBondContact O-N 2.76Å; R61-H64 PolarHBondContact O-N 2.85Å; R61-Y66 PolarHBondContact N-OH 3.05Å; R61-Y66 PolarHBondContact O-OH 2.91Å; R61-N86 PolarHBondContact O-ND2 3Å; R61-D138 IonicContact CZ-OD2 3.73Å; R61-D138 IonicContact NE-OD1 3.79Å; R61-D138 IonicContact NE-OD2 2.88Å; R61-D138 PolarHBondContact NE-OD2 2.92Å; R61-D138 IonicContact NH2-OD2 3.71Å; R61-D138 PolarHBondContact NH2-OD2 3.33Å
62	P	96	Very high	94	Very high	97 Å²	97	30.1 Å²	30.1	63%	0.63	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.6	179.9	-26.7	35.5	0	0	0	114.6	H64 N86	P62-H64 VanDerWaalsContact C-N 3.26Å; P62-H64 PolarHBondContact O-N 2.79Å; P62-N86 PolarHBondContact O-ND2 3.26Å
63	E	95.6	Very high	93.6	Very high	78 Å²	78	31.2 Å²	31.2	36%	0.364	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.2	-178.1	65.6	-93.7	-145.4	0	0	114.8	R61	R61-E63 HydrophobicContact CB-CG 4.35Å; R61-E63 WeakPolarHBondContact CB-OE2 3.43Å; R61-E63 PolarHBondContact O-N 2.76Å
64	H	97.8	Very high	93.3	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.023	13%	0.132	C	C	.	.	S	Bend	trans	-106.8	158.6	178.9	-64.2	-17.5	0	0	0	110.1	I38 F40 R61 P62 Y66 N86 V137	I38-H64 PolarHBondContact N-ND1 2.89Å; I38-H64 WeakPolarHBondContact O-CA 3.37Å; I38-H64 VanDerWaalsContact O-CB 3.27Å; I38-H64 WeakPolarHBondContact O-CB 3.3Å; F40-H64 HydrophobicContact CD2-CB 4.39Å; F40-H64 HydrophobicContact CE2-CB 4.26Å; F40-H64 AromaticContact CE2-CD2 3.82Å; R61-H64 PolarHBondContact O-N 2.85Å; P62-H64 VanDerWaalsContact C-N 3.26Å; P62-H64 PolarHBondContact O-N 2.79Å; H64-Y66 HydrophobicContact CB-CE2 3.96Å; H64-Y66 WeakPolarHBondContact CB-OH 3.05Å; H64-N86 WeakPolarHBondContact O-CB 3.15Å; H64-N86 PolarHBondContact O-ND2 2.97Å; H64-V137 WeakPolarHBondContact NE2-CG1 3.4Å
65	I	98.3	Very high	93	Very high	15 Å²	15	27 Å²	27	8%	0.077	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.9	175.7	-170.3	168.2	0	0	0	110.1	I38 A39 F40 N86 L114 L117 W121	I38-I65 PolarHBondContact O-N 3.46Å; A39-I65 CarbonylContact C-O 3.42Å; A39-I65 WeakPolarHBondContact CA-O 3.35Å; A39-I65 HydrophobicContact CB-CG2 3.5Å; A39-I65 VanDerWaalsContact CB-CG2 3.5Å; F40-I65 PolarHBondContact N-O 2.8Å; I65-N86 WeakPolarHBondContact CA-O 3.38Å; I65-L114 HydrophobicContact CD1-CD1 4.13Å; I65-L114 HydrophobicContact CG1-CD1 4.39Å; I65-L114 HydrophobicContact CG2-CD1 3.88Å; I65-L117 HydrophobicContact CD1-CD2 3.73Å; I65-L117 HydrophobicContact CD1-CG 3.98Å; I65-W121 HydrophobicContact CG2-CB 4.2Å; I65-W121 HydrophobicContact CG2-CG 4.33Å
66	Y	98.1	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119	-178.7	-53.4	-96.1	0	0	0	107.9	F40 L42 I59 Y60 R61 H64 N86 F87 H88	F40-Y66 HydrophobicContact CB-CD1 3.68Å; F40-Y66 HydrophobicContact CB-CE1 4.13Å; F40-Y66 HydrophobicContact CB-CG 4.46Å; F40-Y66 AromaticContact CD2-CD1 3.7Å; F40-Y66 HydrophobicContact CD2-CD1 3.7Å; F40-Y66 AromaticContact CD2-CE1 3.23Å; F40-Y66 HydrophobicContact CD2-CE1 3.23Å; F40-Y66 AromaticContact CD2-CZ 3.82Å; F40-Y66 AromaticContact CE2-CE1 3.82Å; F40-Y66 HydrophobicContact CE2-CE1 3.82Å; F40-Y66 AromaticContact CG-CD1 3.96Å; F40-Y66 HydrophobicContact CG-CD1 3.96Å; F40-Y66 AromaticContact CG-CE1 3.86Å; F40-Y66 HydrophobicContact CG-CE1 3.86Å; L42-Y66 HydrophobicContact CD1-CD1 4.42Å; I59-Y66 HydrophobicContact CD1-CD1 4.4Å; I59-Y66 HydrophobicContact CD1-CE1 4.08Å; I59-Y66 HydrophobicContact CG1-CE1 4.08Å; I59-Y66 PolarHBondContact O-OH 2.81Å; I59-Y66 VanDerWaalsContact O-OH 3.1Å; Y60-Y66 VanDerWaalsContact CA-OH 3.25Å; Y60-Y66 WeakPolarHBondContact CA-OH 3.43Å; Y60-Y66 HydrophobicContact CD2-CD2 4.02Å; Y60-Y66 AromaticContact CD2-CE2 3.59Å; Y60-Y66 HydrophobicContact CD2-CE2 3.59Å; Y60-Y66 AromaticContact CD2-CZ 3.92Å; Y60-Y66 HydrophobicContact CE2-CD2 4.1Å; Y60-Y66 AromaticContact CE2-CE2 3.84Å; Y60-Y66 HydrophobicContact CE2-CE2 3.84Å; Y60-Y66 HydrophobicContact CG-CE2 4.44Å; R61-Y66 PolarHBondContact N-OH 3.05Å; R61-Y66 PolarHBondContact O-OH 2.91Å; H64-Y66 HydrophobicContact CB-CE2 3.96Å; H64-Y66 WeakPolarHBondContact CB-OH 3.05Å; Y66-N86 WeakPolarHBondContact CD2-O 3.43Å; Y66-N86 PolarHBondContact N-O 2.86Å; Y66-F87 VanDerWaalsContact CB-CD2 3.47Å; Y66-F87 HydrophobicContact CD2-CD2 4.28Å; Y66-F87 AromaticContact CG-CD2 3.9Å; Y66-F87 HydrophobicContact CG-CD2 3.9Å; Y66-F87 HydrophobicContact CG-CE2 4.45Å; Y66-H88 PolarHBondContact O-N 3.43Å
67	L	97.7	Very high	92.4	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.4	174.6	-175.7	61.1	0	0	0	109	F40 L42 H88 T90 V110 D113 L114 L117	F40-L67 PolarHBondContact O-N 3.48Å; L42-L67 PolarHBondContact N-O 3.07Å; L67-H88 HydrophobicContact CD1-CB 3.73Å; L67-T90 HydrophobicContact CD1-CG2 3.72Å; L67-T90 HydrophobicContact CD2-CG2 4.32Å; L67-T90 HydrophobicContact CG-CG2 3.9Å; L67-V110 HydrophobicContact CD2-CG1 3.56Å; L67-V110 WeakPolarHBondContact CD2-O 3.47Å; L67-V110 HydrophobicContact CG-CG1 3.89Å; L67-D113 HydrophobicContact CD2-CB 4Å; L67-L114 HydrophobicContact CB-CD1 4.29Å; L67-L114 HydrophobicContact CD2-CB 3.82Å; L67-L114 HydrophobicContact CD2-CD1 4.4Å; L67-L117 HydrophobicContact CD1-CD2 4.41Å
68	V	96.7	Very high	92.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.2	-171.7	-168.2	0	0	0	0	111	L42 F44 V70 V79 F87 H88 V89 T90	L42-V68 HydrophobicContact CB-CB 4.32Å; L42-V68 HydrophobicContact CB-CG1 4.09Å; L42-V68 HydrophobicContact CB-CG2 4.01Å; L42-V68 HydrophobicContact CD1-CG2 3.93Å; L42-V68 HydrophobicContact CG-CG2 4.34Å; L42-V68 CarbonylContact O-C 3.59Å; L42-V68 WeakPolarHBondContact O-CA 3.4Å; F44-V68 HydrophobicContact CD2-CG1 3.29Å; F44-V68 HydrophobicContact CE2-CG1 3.36Å; F44-V68 HydrophobicContact CE2-CG2 4.44Å; F44-V68 HydrophobicContact CG-CG1 4.16Å; F44-V68 HydrophobicContact CZ-CG1 4.28Å; V68-V70 HydrophobicContact CG1-CG2 3.7Å; V68-V79 HydrophobicContact CG1-CG1 4.2Å; V68-F87 HydrophobicContact CG2-CE1 3.85Å; V68-F87 HydrophobicContact CG2-CE2 3.96Å; V68-F87 HydrophobicContact CG2-CZ 3.43Å; V68-F87 VanDerWaalsContact CG2-CZ 3.43Å; V68-H88 PolarHBondContact N-O 3.08Å; V68-V89 HydrophobicContact CB-CG2 4.34Å; V68-V89 CarbonylContact O-C 3.47Å; V68-V89 WeakPolarHBondContact O-CA 3.34Å; V68-T90 PolarHBondContact O-N 3.46Å; V68-T90 PolarHBondContact O-OG1 3.4Å
69	H	96.5	Very high	92.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.2	162.5	171.2	-88.3	0	0	0	109.8	L42 F44 Y94 M106 V110	L42-H69 PolarHBondContact O-N 3.05Å; F44-H69 PolarHBondContact N-O 2.81Å; H69-Y94 AromaticContact CD2-CD2 3.87Å; H69-Y94 PolarHBondContact CE1-O 3.4Å; H69-Y94 AromaticContact NE2-CD2 3.64Å; H69-Y94 PolarHBondContact NE2-N 3.27Å; H69-M106 HydrophobicContact CB-CG 4.26Å; H69-M106 HydrophobicContact CB-SD 3.86Å; H69-M106 VanDerWaalsContact CD2-CG 3.45Å; H69-M106 WeakPolarHBondContact CD2-CG 3.28Å; H69-V110 HydrophobicContact CB-CG2 4.16Å
70	V	93.1	Very high	91.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.5	176.6	-169.1	0	0	0	0	110.1	F44 V68 E72 T75 M76 V89 R93	F44-V70 HydrophobicContact CB-CG1 4.47Å; F44-V70 HydrophobicContact CB-CG2 4.32Å; F44-V70 HydrophobicContact CD2-CG2 4.27Å; F44-V70 WeakPolarHBondContact O-CA 3.49Å; V68-V70 HydrophobicContact CG1-CG2 3.7Å; V70-E72 WeakPolarHBondContact CG1-O 3.2Å; V70-T75 HydrophobicContact CG1-CG2 3.65Å; V70-M76 HydrophobicContact CB-CB 3.91Å; V70-M76 HydrophobicContact CB-CG 4.28Å; V70-M76 HydrophobicContact CG1-CB 3.93Å; V70-V89 HydrophobicContact CG2-CG1 4.33Å; V70-R93 WeakPolarHBondContact O-CD 3.48Å; V70-R93 WeakPolarHBondContact O-CG 2.94Å
71	D	86.6	Confident	91.6	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.08	18%	0.175	C	C	.	.			trans	-78.9	-49.6	177.9	-171.7	2.9	0	0	0	111.8	F44 R93 R345	F44-D71 PolarHBondContact O-N 3.18Å; D71-R93 PolarHBondContact O-NH1 3.05Å; D71-R345 IonicContact OD2-CZ 2.63Å; D71-R345 IonicContact OD2-NH1 3.97Å; D71-R345 PolarHBondContact OD2-NH1 3.23Å; D71-R345 IonicContact OD2-NH2 2.65Å; D71-R345 PolarHBondContact OD2-NH2 2.77Å
72	E	82.3	Confident	91.3	Very high	19 Å²	19	35.2 Å²	35.2	9%	0.089	18%	0.177	C	C	.	.	S	Bend	trans	-75.3	129.7	-177	-65.6	-70.6	150.6	0	0	112.7	R47 V70 A74 T75 M76 R345	R47-E72 IonicContact CZ-OE2 3.15Å; R47-E72 IonicContact NE-OE2 3.81Å; R47-E72 IonicContact NH2-OE2 3.8Å; R47-E72 PolarHBondContact NH2-OE2 2.85Å; V70-E72 WeakPolarHBondContact CG1-O 3.2Å; E72-A74 PolarHBondContact O-N 3.08Å; E72-T75 PolarHBondContact O-N 2.94Å; E72-M76 WeakPolarHBondContact O-CB 2.87Å; E72-M76 PolarHBondContact O-N 3.1Å; E72-R345 WeakPolarHBondContact OE1-CD 3.2Å; E72-R345 IonicContact OE1-CZ 3.03Å; E72-R345 IonicContact OE1-NE 2.84Å; E72-R345 IonicContact OE1-NH1 3.57Å; E72-R345 PolarHBondContact OE1-NH1 3.2Å
73	V	83.8	Confident	91	Very high	25 Å²	25	34.4 Å²	34.4	15%	0.152	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-46.5	-173.9	178	0	0	0	0	111.4	T75 M76 L77 R93 L341 D342	V73-T75 VanDerWaalsContact C-N 3.33Å; V73-T75 PolarHBondContact O-N 3.23Å; V73-M76 WeakPolarHBondContact O-CB 3.2Å; V73-M76 PolarHBondContact O-N 2.85Å; V73-M76 VanDerWaalsContact O-N 3.16Å; V73-L77 HydrophobicContact CG1-CD1 4.22Å; V73-L77 HydrophobicContact CG1-CG 4.46Å; V73-L77 WeakPolarHBondContact O-CG 3.19Å; V73-L77 PolarHBondContact O-N 3.22Å; V73-R93 VanDerWaalsContact CG2-NH1 3.33Å; V73-L341 HydrophobicContact CG1-CB 4.42Å; V73-D342 PolarHBondContact N-OD1 3.12Å
74	A	83.7	Confident	90.9	Very high	14 Å²	14	33 Å²	33	12%	0.116	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-41.1	179.7	0	0	0	0	0	112.1	E72 M76 A78 H339 D342	E72-A74 PolarHBondContact O-N 3.08Å; A74-M76 VanDerWaalsContact C-N 3.33Å; A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 2.8Å; A74-A78 VanDerWaalsContact O-N 3.09Å; A74-H339 HydrophobicContact CB-CB 3.55Å; A74-D342 PolarHBondContact N-OD1 3.29Å
75	T	85.8	Confident	90.6	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-42.3	173.9	-56.8	0	0	0	0	110.5	G46 V49 V70 E72 V73 A78 V79	G46-T75 PolarHBondContact O-OG1 3.42Å; V49-T75 HydrophobicContact CG2-CG2 3.85Å; V70-T75 HydrophobicContact CG1-CG2 3.65Å; E72-T75 PolarHBondContact O-N 2.94Å; V73-T75 VanDerWaalsContact C-N 3.33Å; V73-T75 PolarHBondContact O-N 3.23Å; T75-A78 PolarHBondContact O-N 2.03Å; T75-V79 HydrophobicContact CG2-CG2 4.21Å; T75-V79 VanDerWaalsContact O-CG2 3.31Å; T75-V79 WeakPolarHBondContact O-CG2 2.81Å; T75-V79 PolarHBondContact O-N 3.14Å
76	M	87.2	Confident	90.5	Very high	24 Å²	24	40.8 Å²	40.8	12%	0.118	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-50.3	178.9	-174.5	-173.6	67.1	0	0	110.8	V70 E72 V73 A74 A78 V79 Q80 V89 R93	V70-M76 HydrophobicContact CB-CB 3.91Å; V70-M76 HydrophobicContact CB-CG 4.28Å; V70-M76 HydrophobicContact CG1-CB 3.93Å; E72-M76 WeakPolarHBondContact O-CB 2.87Å; E72-M76 PolarHBondContact O-N 3.1Å; V73-M76 WeakPolarHBondContact O-CB 3.2Å; V73-M76 PolarHBondContact O-N 2.85Å; V73-M76 VanDerWaalsContact O-N 3.16Å; A74-M76 VanDerWaalsContact C-N 3.33Å; M76-A78 VanDerWaalsContact C-N 3.26Å; M76-A78 PolarHBondContact O-N 2.65Å; M76-V79 PolarHBondContact O-N 3.38Å; M76-V79 VanDerWaalsContact O-N 3.14Å; M76-Q80 HydrophobicContact CG-CG 4.27Å; M76-Q80 WeakPolarHBondContact O-CB 3.41Å; M76-Q80 VanDerWaalsContact O-CG 3.26Å; M76-Q80 WeakPolarHBondContact O-CG 3.38Å; M76-Q80 PolarHBondContact O-N 3.35Å; M76-V89 HydrophobicContact CG-CG1 4.14Å; M76-R93 HydrophobicContact SD-CG 4.21Å
77	L	87.5	Confident	90.5	Very high	67 Å²	67	41 Å²	41	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-38	177.2	-69	172.7	0	0	0	112.2	V73 L341	V73-L77 HydrophobicContact CG1-CD1 4.22Å; V73-L77 HydrophobicContact CG1-CG 4.46Å; V73-L77 WeakPolarHBondContact O-CG 3.19Å; V73-L77 PolarHBondContact O-N 3.22Å; L77-L341 HydrophobicContact CD1-CD1 3.77Å
78	A	88.3	Confident	90.4	Very high	25 Å²	25	42.8 Å²	42.8	21%	0.207	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-35	178.4	0	0	0	0	0	113	V49 A74 T75 M76	V49-A78 HydrophobicContact CG1-CB 3.94Å; V49-A78 HydrophobicContact CG2-CB 4.01Å; A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 2.8Å; A74-A78 VanDerWaalsContact O-N 3.09Å; T75-A78 PolarHBondContact O-N 2.03Å; M76-A78 VanDerWaalsContact C-N 3.26Å; M76-A78 PolarHBondContact O-N 2.65Å
79	V	89.7	Confident	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-81	-32.1	178.7	176.7	0	0	0	0	111.7	F44 V68 T75 M76 R81 L82 F87 V89	F44-V79 HydrophobicContact CD2-CG2 4.4Å; V68-V79 HydrophobicContact CG1-CG1 4.2Å; T75-V79 HydrophobicContact CG2-CG2 4.21Å; T75-V79 VanDerWaalsContact O-CG2 3.31Å; T75-V79 WeakPolarHBondContact O-CG2 2.81Å; T75-V79 PolarHBondContact O-N 3.14Å; M76-V79 PolarHBondContact O-N 3.38Å; M76-V79 VanDerWaalsContact O-N 3.14Å; V79-R81 PolarHBondContact O-N 3.07Å; V79-L82 WeakPolarHBondContact O-CA 3.34Å; V79-L82 VanDerWaalsContact O-CB 3.23Å; V79-L82 WeakPolarHBondContact O-CB 3.48Å; V79-L82 PolarHBondContact O-N 2.73Å; V79-F87 HydrophobicContact CG1-CE1 3.91Å; V79-F87 HydrophobicContact CG1-CZ 4.04Å; V79-V89 HydrophobicContact CG1-CG2 3.83Å
80	Q	91.3	Very high	90.3	Very high	76 Å²	76	44.3 Å²	44.3	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-58.1	-28.5	174.7	-80.9	174.1	-18.4	0	0	112.8	M76 L82 V83 V89	M76-Q80 HydrophobicContact CG-CG 4.27Å; M76-Q80 WeakPolarHBondContact O-CB 3.41Å; M76-Q80 VanDerWaalsContact O-CG 3.26Å; M76-Q80 WeakPolarHBondContact O-CG 3.38Å; M76-Q80 PolarHBondContact O-N 3.35Å; Q80-L82 PolarHBondContact O-N 3.2Å; Q80-L82 VanDerWaalsContact O-N 3.16Å; Q80-V83 WeakPolarHBondContact O-CB 3.37Å; Q80-V83 VanDerWaalsContact O-CG2 3.23Å; Q80-V83 WeakPolarHBondContact O-CG2 3.16Å; Q80-V83 PolarHBondContact O-N 3.36Å; Q80-V83 VanDerWaalsContact O-N 3.16Å; Q80-V89 HydrophobicContact CG-CB 4.09Å; Q80-V89 HydrophobicContact CG-CG1 4.05Å; Q80-V89 HydrophobicContact CG-CG2 4.25Å
81	R	90.8	Very high	90	Very high	214 Å²	214	49.3 Å²	49.3	81%	0.808	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-8.9	172.4	-64.6	177	-175.9	161.5	3	114.1	V79	V79-R81 PolarHBondContact O-N 3.07Å
82	L	89.5	Confident	90.2	Very high	52 Å²	52	53.3 Å²	53.3	27%	0.272	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.2	176.5	-53.7	177.1	0	0	0	112.6	K53 L56 V79 Q80 S84 F87	K53-L82 HydrophobicContact CG-CD1 4.22Å; L56-L82 HydrophobicContact CD1-CD1 3.96Å; V79-L82 WeakPolarHBondContact O-CA 3.34Å; V79-L82 VanDerWaalsContact O-CB 3.23Å; V79-L82 WeakPolarHBondContact O-CB 3.48Å; V79-L82 PolarHBondContact O-N 2.73Å; Q80-L82 PolarHBondContact O-N 3.2Å; Q80-L82 VanDerWaalsContact O-N 3.16Å; L82-S84 PolarHBondContact O-N 3.26Å; L82-F87 HydrophobicContact CB-CD1 4.21Å; L82-F87 HydrophobicContact CB-CE1 3.88Å; L82-F87 HydrophobicContact CB-CZ 4.39Å; L82-F87 WeakPolarHBondContact O-CD1 3.43Å
83	V	90.9	Very high	90.6	Very high	80 Å²	80	56.5 Å²	56.5	49%	0.485	29%	0.289	S	S	.	.			trans	-58.9	133.3	179.8	169.5	0	0	0	0	110.6	Q80 F87 V89	Q80-V83 WeakPolarHBondContact O-CB 3.37Å; Q80-V83 VanDerWaalsContact O-CG2 3.23Å; Q80-V83 WeakPolarHBondContact O-CG2 3.16Å; Q80-V83 PolarHBondContact O-N 3.36Å; Q80-V83 VanDerWaalsContact O-N 3.16Å; V83-F87 WeakPolarHBondContact CA-O 3.41Å; V83-V89 HydrophobicContact CG2-CB 4.45Å; V83-V89 HydrophobicContact CG2-CG2 3.86Å
84	S	92.6	Very high	90.9	Very high	48 Å²	48	57.4 Å²	57.4	34%	0.336	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-150.3	179.9	179	67.1	0	0	0	0	109.3	L82 N86 F87	L82-S84 PolarHBondContact O-N 3.26Å; S84-N86 PolarHBondContact O-N 3.04Å; S84-N86 PolarHBondContact OG-OD1 2.83Å; S84-F87 PolarHBondContact N-O 2.92Å; S84-F87 VanDerWaalsContact N-O 3.09Å; S84-F87 PolarHBondContact O-N 2.76Å; S84-F87 VanDerWaalsContact O-O 3.04Å; S84-F87 WeakPolarHBondContact OG-CB 3.5Å
85	D	92.9	Very high	91	Very high	165 Å²	165	59.4 Å²	59.4	88%	0.882	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.4	-174.6	-61.7	-10.3	0	0	0	115.1	H88	D85-H88 PolarHBondContact O-CE1 3.25Å; D85-H88 PolarHBondContact O-NE2 3.48Å
86	N	96.5	Very high	91	Very high	20 Å²	20	59.5 Å²	59.5	11%	0.107	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	7	178.9	72.3	-29.7	0	0	0	114.1	Y60 R61 P62 H64 I65 Y66 S84	Y60-N86 WeakPolarHBondContact CE2-OD1 3.24Å; Y60-N86 PolarHBondContact OH-ND2 2.87Å; Y60-N86 PolarHBondContact OH-OD1 2.9Å; R61-N86 PolarHBondContact O-ND2 3Å; P62-N86 PolarHBondContact O-ND2 3.26Å; H64-N86 WeakPolarHBondContact O-CB 3.15Å; H64-N86 PolarHBondContact O-ND2 2.97Å; I65-N86 WeakPolarHBondContact CA-O 3.38Å; Y66-N86 WeakPolarHBondContact CD2-O 3.43Å; Y66-N86 PolarHBondContact N-O 2.86Å; S84-N86 PolarHBondContact O-N 3.04Å; S84-N86 PolarHBondContact OG-OD1 2.83Å
87	F	96.7	Very high	91.1	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115	-178.6	-170.4	-80.2	0	0	0	110.5	L42 L56 Y66 V68 V79 L82 V83 S84 V89	L42-F87 HydrophobicContact CD1-CE2 4.43Å; L56-F87 HydrophobicContact CD1-CE2 3.67Å; L56-F87 HydrophobicContact CD1-CZ 3.87Å; L56-F87 HydrophobicContact CD2-CE2 3.71Å; L56-F87 HydrophobicContact CG-CE2 4.36Å; Y66-F87 VanDerWaalsContact CB-CD2 3.47Å; Y66-F87 HydrophobicContact CD2-CD2 4.28Å; Y66-F87 AromaticContact CG-CD2 3.9Å; Y66-F87 HydrophobicContact CG-CD2 3.9Å; Y66-F87 HydrophobicContact CG-CE2 4.45Å; V68-F87 HydrophobicContact CG2-CE1 3.85Å; V68-F87 HydrophobicContact CG2-CE2 3.96Å; V68-F87 HydrophobicContact CG2-CZ 3.43Å; V68-F87 VanDerWaalsContact CG2-CZ 3.43Å; V79-F87 HydrophobicContact CG1-CE1 3.91Å; V79-F87 HydrophobicContact CG1-CZ 4.04Å; L82-F87 HydrophobicContact CB-CD1 4.21Å; L82-F87 HydrophobicContact CB-CE1 3.88Å; L82-F87 HydrophobicContact CB-CZ 4.39Å; L82-F87 WeakPolarHBondContact O-CD1 3.43Å; V83-F87 WeakPolarHBondContact CA-O 3.41Å; S84-F87 PolarHBondContact N-O 2.92Å; S84-F87 VanDerWaalsContact N-O 3.09Å; S84-F87 PolarHBondContact O-N 2.76Å; S84-F87 VanDerWaalsContact O-O 3.04Å; S84-F87 WeakPolarHBondContact OG-CB 3.5Å; F87-V89 HydrophobicContact CE1-CG2 4.2Å
88	H	97	Very high	91	Very high	44 Å²	44	60.8 Å²	60.8	20%	0.204	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.4	-170.4	-50.6	-89.8	0	0	0	110.9	Y66 L67 V68 D85 L117	Y66-H88 PolarHBondContact O-N 3.43Å; L67-H88 HydrophobicContact CD1-CB 3.73Å; V68-H88 PolarHBondContact N-O 3.08Å; D85-H88 PolarHBondContact O-CE1 3.25Å; D85-H88 PolarHBondContact O-NE2 3.48Å; H88-L117 HydrophobicContact CB-CD2 4.15Å
89	V	95.5	Very high	90.8	Very high	25 Å²	25	59.9 Å²	59.9	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.9	175	-175.8	0	0	0	0	108.2	V68 V70 M76 V79 Q80 V83 F87	V68-V89 HydrophobicContact CB-CG2 4.34Å; V68-V89 CarbonylContact O-C 3.47Å; V68-V89 WeakPolarHBondContact O-CA 3.34Å; V70-V89 HydrophobicContact CG2-CG1 4.33Å; M76-V89 HydrophobicContact CG-CG1 4.14Å; V79-V89 HydrophobicContact CG1-CG2 3.83Å; Q80-V89 HydrophobicContact CG-CB 4.09Å; Q80-V89 HydrophobicContact CG-CG1 4.05Å; Q80-V89 HydrophobicContact CG-CG2 4.25Å; V83-V89 HydrophobicContact CG2-CB 4.45Å; V83-V89 HydrophobicContact CG2-CG2 3.86Å; F87-V89 HydrophobicContact CE1-CG2 4.2Å
90	T	94.4	Very high	91	Very high	7 Å²	7	60 Å²	60	4%	0.043	30%	0.297	C	S	.	.			trans	-68.9	139.5	-179.5	65.3	0	0	0	0	110	L67 V68 R92 V110	L67-T90 HydrophobicContact CD1-CG2 3.72Å; L67-T90 HydrophobicContact CD2-CG2 4.32Å; L67-T90 HydrophobicContact CG-CG2 3.9Å; V68-T90 PolarHBondContact O-N 3.46Å; V68-T90 PolarHBondContact O-OG1 3.4Å; T90-R92 PolarHBondContact OG1-O 2.98Å; T90-R92 VanDerWaalsContact OG1-O 3.07Å; T90-V110 HydrophobicContact CG2-CG1 4.35Å; T90-V110 HydrophobicContact CG2-CG2 3.98Å
91	S	87.9	Confident	91.1	Very high	106 Å²	106	56.9 Å²	56.9	74%	0.741	28%	0.283	S	S	*	.	S	Bend	trans	-76.6	-34.8	173.5	56.5	0	0	0	0	111.9
92	R	90.7	Very high	91.2	Very high	100 Å²	100	47 Å²	47	38%	0.377	25%	0.248	S	C	.	.			trans	-72.3	133.8	175.7	-65	-175.1	-70.2	-178.4	-1.7	110.2	T90 Y94 A109 D113	T90-R92 PolarHBondContact OG1-O 2.98Å; T90-R92 VanDerWaalsContact OG1-O 3.07Å; R92-Y94 HydrophobicContact CB-CE2 4.02Å; R92-A109 PolarHBondContact NH2-O 3.1Å; R92-D113 IonicContact CZ-OD1 3.85Å; R92-D113 IonicContact CZ-OD2 3.29Å; R92-D113 IonicContact NE-OD2 3.69Å; R92-D113 IonicContact NH2-OD1 3.99Å; R92-D113 PolarHBondContact NH2-OD1 3.5Å; R92-D113 IonicContact NH2-OD2 3.56Å; R92-D113 PolarHBondContact NH2-OD2 3.45Å
93	R	89.2	Confident	91.5	Very high	85 Å²	85	45.8 Å²	45.8	32%	0.321	24%	0.241	S	C	.	.			trans	-117	145.3	176.3	-61.9	-170.2	-67.5	130.2	0.4	109.6	V70 D71 V73 M76	V70-R93 WeakPolarHBondContact O-CD 3.48Å; V70-R93 WeakPolarHBondContact O-CG 2.94Å; D71-R93 PolarHBondContact O-NH1 3.05Å; V73-R93 VanDerWaalsContact CG2-NH1 3.33Å; M76-R93 HydrophobicContact SD-CG 4.21Å
94	Y	91.4	Very high	91.8	Very high	45 Å²	45	42.1 Å²	42.1	18%	0.176	22%	0.219	C	C	.	.			trans	-130.3	130.2	-177.8	-67.8	-92.3	0	0	0	107.2	H69 R92 T96 D105 M106 A109	H69-Y94 AromaticContact CD2-CD2 3.87Å; H69-Y94 PolarHBondContact CE1-O 3.4Å; H69-Y94 AromaticContact NE2-CD2 3.64Å; H69-Y94 PolarHBondContact NE2-N 3.27Å; R92-Y94 HydrophobicContact CB-CE2 4.02Å; Y94-T96 PolarHBondContact O-N 3.15Å; Y94-D105 HydrophobicContact CD1-CB 4.27Å; Y94-D105 HydrophobicContact CE1-CB 4.12Å; Y94-M106 HydrophobicContact CD1-CB 4.33Å; Y94-M106 HydrophobicContact CD2-CB 3.8Å; Y94-M106 HydrophobicContact CD2-CG 3.78Å; Y94-M106 HydrophobicContact CG-CB 3.72Å; Y94-M106 HydrophobicContact CG-CG 4.11Å; Y94-A109 HydrophobicContact CE2-CB 3.9Å; Y94-A109 WeakPolarHBondContact OH-CB 3.4Å
95	P	85.5	Confident	92	Very high	55 Å²	55	43.1 Å²	43.1	36%	0.357	22%	0.22	S	C	.	.			trans	-77.2	75.5	180	33.2	-35.3	0	0	0	109.7	I97 S102	P95-I97 PolarHBondContact O-N 3.15Å; P95-S102 PolarHBondContact O-OG 3.28Å
96	T	86.2	Confident	92.1	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.049	18%	0.178	C	C	.	.			trans	-76.2	72.9	-172.6	61.8	0	0	0	0	112	N45 Y94 L103 M106	N45-T96 PolarHBondContact ND2-OG1 3.14Å; N45-T96 PolarHBondContact OD1-OG1 2.9Å; Y94-T96 PolarHBondContact O-N 3.15Å; T96-L103 HydrophobicContact CG2-CB 4.44Å; T96-L103 HydrophobicContact CG2-CD1 4.12Å; T96-M106 HydrophobicContact CG2-CB 3.93Å; T96-M106 HydrophobicContact CG2-CG 4.17Å
97	I	87.8	Confident	92.2	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.082	17%	0.173	C	C	.	.			trans	-61.9	154.6	174.1	65.7	174.5	0	0	0	110.3	P95 G99 G100 E174 N177 M179 V271	P95-I97 PolarHBondContact O-N 3.15Å; I97-G99 PolarHBondContact O-N 3.11Å; I97-G100 PolarHBondContact O-N 2.64Å; I97-E174 HydrophobicContact CD1-CG 3.85Å; I97-E174 HydrophobicContact CG1-CG 4.47Å; I97-N177 VanDerWaalsContact CD1-C 3.46Å; I97-N177 HydrophobicContact CG2-CB 4Å; I97-M179 HydrophobicContact CD1-CG 4.06Å; I97-V271 HydrophobicContact CB-CG1 4.18Å; I97-V271 HydrophobicContact CD1-CG1 4.34Å
98	W	85.9	Confident	92.2	Very high	101 Å²	101	35.1 Å²	35.1	38%	0.383	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	124.4	177.4	-174.7	87	0	0	0	110	G100 L230 V272 S276	W98-G100 PolarHBondContact O-N 3.18Å; W98-L230 HydrophobicContact CH2-CD1 4.11Å; W98-L230 HydrophobicContact CH2-CD2 4.18Å; W98-L230 HydrophobicContact CH2-CG 4.42Å; W98-L230 HydrophobicContact CZ2-CD1 4.42Å; W98-L230 HydrophobicContact CZ2-CD2 4.02Å; W98-V272 HydrophobicContact CE3-CB 4.34Å; W98-V272 HydrophobicContact CE3-CG2 3.57Å; W98-V272 HydrophobicContact CZ3-CB 4.06Å; W98-V272 HydrophobicContact CZ3-CG1 4.32Å; W98-V272 HydrophobicContact CZ3-CG2 3.68Å; W98-V272 WeakPolarHBondContact O-CG2 3.22Å; W98-S276 WeakPolarHBondContact CH2-OG 3.36Å; W98-S276 WeakPolarHBondContact CZ3-OG 3.26Å
99	G	85.6	Confident	92.2	Very high	7 Å²	7	33.6 Å²	33.6	7%	0.072	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-6.1	-176.2	0	0	0	0	0	115.7	I97 L229 L230	I97-G99 PolarHBondContact O-N 3.11Å; G99-L229 WeakPolarHBondContact O-CD1 3.38Å; G99-L230 PolarHBondContact O-N 3.28Å; G99-L230 VanDerWaalsContact O-N 3.1Å
100	G	91.9	Very high	92.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.165	C	C	.	.			trans	-57	145.1	-177.3	0	0	0	0	0	114	I97 W98 S102 E174	I97-G100 PolarHBondContact O-N 2.64Å; W98-G100 PolarHBondContact O-N 3.18Å; G100-S102 VanDerWaalsContact C-N 3.25Å; G100-E174 WeakPolarHBondContact CA-OE2 3.49Å
101	S	93.7	Very high	92.5	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.6	169.4	58.2	0	0	0	0	112.6	L103 L104 D105 E174 R226	S101-L103 PolarHBondContact O-N 3.04Å; S101-L103 VanDerWaalsContact O-N 3.07Å; S101-L104 PolarHBondContact O-N 3.45Å; S101-D105 PolarHBondContact O-N 3.14Å; S101-E174 PolarHBondContact N-OE2 3.12Å; S101-R226 WeakPolarHBondContact CB-O 3.43Å; S101-R226 PolarHBondContact OG-O 3.44Å
102	S	94.2	Very high	92.9	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-21	174.6	60.1	0	0	0	0	114.2	P95 G100 D105 M106 E174	P95-S102 PolarHBondContact O-OG 3.28Å; G100-S102 VanDerWaalsContact C-N 3.25Å; S102-D105 PolarHBondContact O-N 3.31Å; S102-M106 WeakPolarHBondContact O-CB 3.25Å; S102-M106 PolarHBondContact O-N 2.83Å; S102-E174 VanDerWaalsContact CB-OE1 3.28Å; S102-E174 WeakPolarHBondContact CB-OE1 3.25Å; S102-E174 WeakPolarHBondContact CB-OE2 3.41Å; S102-E174 PolarHBondContact N-OE2 3.17Å; S102-E174 VanDerWaalsContact OG-CD 3.28Å; S102-E174 PolarHBondContact OG-OE1 2.86Å; S102-E174 PolarHBondContact OG-OE2 2.93Å
103	L	95.7	Very high	93.2	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.131	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-39.9	172.9	-179.2	64.7	0	0	0	112	T96 S101 M106 F107 A232	T96-L103 HydrophobicContact CG2-CB 4.44Å; T96-L103 HydrophobicContact CG2-CD1 4.12Å; S101-L103 PolarHBondContact O-N 3.04Å; S101-L103 VanDerWaalsContact O-N 3.07Å; L103-M106 HydrophobicContact CD1-CE 3.64Å; L103-F107 HydrophobicContact CD1-CD2 4.44Å; L103-F107 HydrophobicContact CD1-CE2 3.93Å; L103-F107 HydrophobicContact CD1-CZ 4.14Å; L103-F107 HydrophobicContact CD2-CE2 4.16Å; L103-F107 HydrophobicContact CG-CD2 4.15Å; L103-F107 HydrophobicContact CG-CE2 3.75Å; L103-F107 HydrophobicContact CG-CZ 4.43Å; L103-F107 VanDerWaalsContact O-CD2 3.27Å; L103-F107 WeakPolarHBondContact O-CD2 3.34Å; L103-F107 PolarHBondContact O-N 3.36Å; L103-A232 HydrophobicContact CD2-CB 4.14Å; L103-A232 HydrophobicContact CG-CB 4.46Å
104	L	97.1	Very high	93.6	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-69.8	-41.8	176.2	175.6	61.7	0	0	0	110.8	S101 M106 F107 L108 F225 P231 F235 F236	S101-L104 PolarHBondContact O-N 3.45Å; L104-M106 VanDerWaalsContact C-N 3.28Å; L104-M106 PolarHBondContact O-N 2.64Å; L104-F107 PolarHBondContact O-N 3.29Å; L104-F107 VanDerWaalsContact O-N 3.16Å; L104-L108 HydrophobicContact CD1-CD1 4.18Å; L104-L108 HydrophobicContact CD1-CG 4.02Å; L104-L108 HydrophobicContact CG-CD1 4.04Å; L104-L108 HydrophobicContact CG-CG 4.33Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 3.07Å; L104-F225 HydrophobicContact CD2-CB 3.76Å; L104-P231 HydrophobicContact CB-CB 4.18Å; L104-P231 HydrophobicContact CB-CG 3.79Å; L104-P231 HydrophobicContact CD2-CB 3.97Å; L104-P231 HydrophobicContact CD2-CG 4.45Å; L104-F235 HydrophobicContact CD1-CB 4.13Å; L104-F235 HydrophobicContact CD1-CD1 3.41Å; L104-F235 VanDerWaalsContact CD1-CD1 3.41Å; L104-F235 HydrophobicContact CD1-CE1 3.9Å; L104-F235 HydrophobicContact CD1-CG 3.77Å; L104-F235 HydrophobicContact CD2-CB 3.91Å; L104-F235 HydrophobicContact CD2-CD1 4.12Å; L104-F235 HydrophobicContact CD2-CD2 3.73Å; L104-F235 HydrophobicContact CD2-CE2 4.29Å; L104-F235 HydrophobicContact CD2-CG 3.64Å; L104-F235 HydrophobicContact CG-CD1 4.42Å; L104-F235 HydrophobicContact CG-CG 4.39Å; L104-F236 HydrophobicContact CD1-CE2 4.06Å; L104-F236 HydrophobicContact CD1-CZ 3.97Å
105	D	95.7	Very high	93.9	Very high	69 Å²	69	21.4 Å²	21.4	37%	0.369	12%	0.115	S	C	.	.	H	α-helix	trans	-59.1	-43	175.9	-67	-24	0	0	0	111.3	Y94 S101 S102 L108 A109	Y94-D105 HydrophobicContact CD1-CB 4.27Å; Y94-D105 HydrophobicContact CE1-CB 4.12Å; S101-D105 PolarHBondContact O-N 3.14Å; S102-D105 PolarHBondContact O-N 3.31Å; D105-L108 PolarHBondContact O-N 2.74Å; D105-A109 VanDerWaalsContact O-CB 3.27Å; D105-A109 WeakPolarHBondContact O-CB 3.11Å; D105-A109 PolarHBondContact O-N 3.17Å
106	M	96.6	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-52.7	172.6	-176.1	-78.7	-66.7	0	0	110.9	Q43 H69 Y94 T96 S102 L103 L104 L108 A109 V110	Q43-M106 HydrophobicContact CB-CE 3.94Å; H69-M106 HydrophobicContact CB-CG 4.26Å; H69-M106 HydrophobicContact CB-SD 3.86Å; H69-M106 VanDerWaalsContact CD2-CG 3.45Å; H69-M106 WeakPolarHBondContact CD2-CG 3.28Å; Y94-M106 HydrophobicContact CD1-CB 4.33Å; Y94-M106 HydrophobicContact CD2-CB 3.8Å; Y94-M106 HydrophobicContact CD2-CG 3.78Å; Y94-M106 HydrophobicContact CG-CB 3.72Å; Y94-M106 HydrophobicContact CG-CG 4.11Å; T96-M106 HydrophobicContact CG2-CB 3.93Å; T96-M106 HydrophobicContact CG2-CG 4.17Å; S102-M106 WeakPolarHBondContact O-CB 3.25Å; S102-M106 PolarHBondContact O-N 2.83Å; L103-M106 HydrophobicContact CD1-CE 3.64Å; L104-M106 VanDerWaalsContact C-N 3.28Å; L104-M106 PolarHBondContact O-N 2.64Å; M106-L108 PolarHBondContact O-N 2.76Å; M106-A109 PolarHBondContact O-N 2.89Å; M106-V110 HydrophobicContact CG-CG2 4.22Å; M106-V110 WeakPolarHBondContact O-CB 3.43Å; M106-V110 VanDerWaalsContact O-CG2 3.22Å; M106-V110 WeakPolarHBondContact O-CG2 3.5Å; M106-V110 PolarHBondContact O-N 2.79Å; M106-V110 HydrophobicContact SD-CB 4.32Å; M106-V110 HydrophobicContact SD-CG2 3.67Å
107	F	97.8	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-46.9	179.9	-76.7	-46.9	0	0	0	112.4	L41 L103 L104 A109 V110 M111 N126 F200 A232 F236	L41-F107 HydrophobicContact CD1-CD1 3.91Å; L41-F107 HydrophobicContact CD1-CE1 4.49Å; L41-F107 HydrophobicContact CD2-CD1 3.85Å; L41-F107 HydrophobicContact CD2-CE1 3.77Å; L103-F107 HydrophobicContact CD1-CD2 4.44Å; L103-F107 HydrophobicContact CD1-CE2 3.93Å; L103-F107 HydrophobicContact CD1-CZ 4.14Å; L103-F107 HydrophobicContact CD2-CE2 4.16Å; L103-F107 HydrophobicContact CG-CD2 4.15Å; L103-F107 HydrophobicContact CG-CE2 3.75Å; L103-F107 HydrophobicContact CG-CZ 4.43Å; L103-F107 VanDerWaalsContact O-CD2 3.27Å; L103-F107 WeakPolarHBondContact O-CD2 3.34Å; L103-F107 PolarHBondContact O-N 3.36Å; L104-F107 PolarHBondContact O-N 3.29Å; L104-F107 VanDerWaalsContact O-N 3.16Å; F107-A109 VanDerWaalsContact C-N 3.35Å; F107-A109 PolarHBondContact O-N 2.93Å; F107-V110 PolarHBondContact O-N 2.82Å; F107-M111 HydrophobicContact CB-CE 4.33Å; F107-M111 VanDerWaalsContact O-CB 3.22Å; F107-M111 WeakPolarHBondContact O-CB 3.28Å; F107-M111 WeakPolarHBondContact O-CG 3.26Å; F107-M111 PolarHBondContact O-N 2.85Å; F107-N126 HydrophobicContact CE1-CB 4.29Å; F107-F200 HydrophobicContact CD1-CZ 4.43Å; F107-F200 HydrophobicContact CE1-CZ 4.35Å; F107-F200 HydrophobicContact CE2-CE1 4.43Å; F107-F200 HydrophobicContact CZ-CE1 4.46Å; F107-F200 HydrophobicContact CZ-CZ 4.43Å; F107-A232 HydrophobicContact CD2-CB 4Å; F107-A232 HydrophobicContact CE2-CB 3.72Å; F107-F236 HydrophobicContact CB-CE2 4.47Å; F107-F236 HydrophobicContact CB-CZ 4Å; F107-F236 HydrophobicContact CD2-CE2 4.1Å; F107-F236 HydrophobicContact CD2-CZ 4.46Å; F107-F236 HydrophobicContact CG-CZ 4.46Å
108	L	97.2	Very high	95.3	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.115	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-43.2	-179.6	-68.8	175.1	0	0	0	111.7	L104 D105 M106 D112 V210 R222 F235	L104-L108 HydrophobicContact CD1-CD1 4.18Å; L104-L108 HydrophobicContact CD1-CG 4.02Å; L104-L108 HydrophobicContact CG-CD1 4.04Å; L104-L108 HydrophobicContact CG-CG 4.33Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 3.07Å; D105-L108 PolarHBondContact O-N 2.74Å; M106-L108 PolarHBondContact O-N 2.76Å; L108-D112 PolarHBondContact O-N 3.46Å; L108-V210 HydrophobicContact CD2-CG1 3.75Å; L108-R222 HydrophobicContact CD1-CG 4.24Å; L108-F235 HydrophobicContact CD2-CE1 3.94Å; L108-F235 HydrophobicContact CD2-CZ 4.28Å
109	A	96.8	Very high	95.7	Very high	11 Å²	11	26.7 Å²	26.7	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-46.5	178.3	0	0	0	0	0	112.6	R92 Y94 D105 M106 F107 M111 D112 D113	R92-A109 PolarHBondContact NH2-O 3.1Å; Y94-A109 HydrophobicContact CE2-CB 3.9Å; Y94-A109 WeakPolarHBondContact OH-CB 3.4Å; D105-A109 VanDerWaalsContact O-CB 3.27Å; D105-A109 WeakPolarHBondContact O-CB 3.11Å; D105-A109 PolarHBondContact O-N 3.17Å; M106-A109 PolarHBondContact O-N 2.89Å; F107-A109 VanDerWaalsContact C-N 3.35Å; F107-A109 PolarHBondContact O-N 2.93Å; A109-M111 VanDerWaalsContact C-N 3.34Å; A109-D112 PolarHBondContact O-N 3.46Å; A109-D113 PolarHBondContact O-N 2.82Å
110	V	97.5	Very high	96.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-35.8	179.4	177.4	0	0	0	0	111.3	L41 L67 H69 T90 M106 F107 D112 D113 L114	L41-V110 HydrophobicContact CD1-CB 4.2Å; L41-V110 HydrophobicContact CD1-CG1 3.8Å; L41-V110 HydrophobicContact CD2-CG1 4.42Å; L41-V110 HydrophobicContact CG-CG1 3.73Å; L67-V110 HydrophobicContact CD2-CG1 3.56Å; L67-V110 WeakPolarHBondContact CD2-O 3.47Å; L67-V110 HydrophobicContact CG-CG1 3.89Å; H69-V110 HydrophobicContact CB-CG2 4.16Å; T90-V110 HydrophobicContact CG2-CG1 4.35Å; T90-V110 HydrophobicContact CG2-CG2 3.98Å; M106-V110 HydrophobicContact CG-CG2 4.22Å; M106-V110 WeakPolarHBondContact O-CB 3.43Å; M106-V110 VanDerWaalsContact O-CG2 3.22Å; M106-V110 WeakPolarHBondContact O-CG2 3.5Å; M106-V110 PolarHBondContact O-N 2.79Å; M106-V110 HydrophobicContact SD-CB 4.32Å; M106-V110 HydrophobicContact SD-CG2 3.67Å; F107-V110 PolarHBondContact O-N 2.82Å; V110-D112 VanDerWaalsContact C-N 3.35Å; V110-D113 PolarHBondContact O-N 3.11Å; V110-L114 VanDerWaalsContact O-CB 3.32Å; V110-L114 WeakPolarHBondContact O-CB 3.48Å; V110-L114 PolarHBondContact O-N 2.82Å
111	M	98.1	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-39.6	172	-73.6	176.5	-174.6	0	0	111.5	L41 F107 A109 L114 L115 I124 F200 L202 V207 V211 F236	L41-M111 HydrophobicContact CD1-CE 4.41Å; L41-M111 HydrophobicContact CD1-CG 4.13Å; F107-M111 HydrophobicContact CB-CE 4.33Å; F107-M111 VanDerWaalsContact O-CB 3.22Å; F107-M111 WeakPolarHBondContact O-CB 3.28Å; F107-M111 WeakPolarHBondContact O-CG 3.26Å; F107-M111 PolarHBondContact O-N 2.85Å; A109-M111 VanDerWaalsContact C-N 3.34Å; M111-L114 PolarHBondContact O-N 2.77Å; M111-L115 WeakPolarHBondContact O-CB 3.21Å; M111-L115 WeakPolarHBondContact O-CG 3.26Å; M111-L115 PolarHBondContact O-N 3.43Å; M111-I124 HydrophobicContact CB-CD1 4.49Å; M111-I124 HydrophobicContact CG-CD1 3.75Å; M111-F200 HydrophobicContact CE-CE2 3.71Å; M111-F200 HydrophobicContact CE-CZ 3.57Å; M111-L202 HydrophobicContact CE-CD1 4.2Å; M111-V207 HydrophobicContact CB-CG1 3.82Å; M111-V207 HydrophobicContact CG-CG1 3.96Å; M111-V207 HydrophobicContact SD-CG1 4Å; M111-V211 HydrophobicContact CB-CG2 3.62Å; M111-F236 HydrophobicContact CE-CE1 3.75Å; M111-F236 HydrophobicContact CE-CZ 3.65Å; M111-F236 HydrophobicContact SD-CE1 3.86Å; M111-F236 HydrophobicContact SD-CZ 4.12Å
112	D	97.5	Very high	96.7	Very high	55 Å²	55	33 Å²	33	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-42.7	175	-163.9	36.1	0	0	0	112.8	L108 A109 V110 L114 L115 S116 V211 R212	L108-D112 PolarHBondContact O-N 3.46Å; A109-D112 PolarHBondContact O-N 3.46Å; V110-D112 VanDerWaalsContact C-N 3.35Å; D112-L114 VanDerWaalsContact C-N 3.28Å; D112-L114 PolarHBondContact O-N 2.98Å; D112-L115 WeakPolarHBondContact O-CB 3.4Å; D112-L115 PolarHBondContact O-N 3.44Å; D112-L115 VanDerWaalsContact O-N 3.16Å; D112-S116 PolarHBondContact O-N 2.93Å; D112-S116 PolarHBondContact O-OG 3.34Å; D112-V211 HydrophobicContact CB-CG1 3.47Å; D112-V211 VanDerWaalsContact CB-CG1 3.47Å; D112-V211 WeakPolarHBondContact OD1-CG1 3.03Å; D112-R212 IonicContact OD1-CZ 3.07Å; D112-R212 IonicContact OD1-NE 3.11Å; D112-R212 PolarHBondContact OD1-NE 3.49Å; D112-R212 VanDerWaalsContact OD1-NE 3.07Å; D112-R212 IonicContact OD1-NH2 2.74Å; D112-R212 PolarHBondContact OD1-NH2 3.39Å; D112-R212 VanDerWaalsContact OD1-NH2 3.11Å
113	D	97.1	Very high	97	Very high	47 Å²	47	32.8 Å²	32.8	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-56.6	-46	174.1	-72.3	-20	0	0	0	110.3	L67 R92 A109 V110 L115 S116 L117	L67-D113 HydrophobicContact CD2-CB 4Å; R92-D113 IonicContact CZ-OD1 3.85Å; R92-D113 IonicContact CZ-OD2 3.29Å; R92-D113 IonicContact NE-OD2 3.69Å; R92-D113 IonicContact NH2-OD1 3.99Å; R92-D113 PolarHBondContact NH2-OD1 3.5Å; R92-D113 IonicContact NH2-OD2 3.56Å; R92-D113 PolarHBondContact NH2-OD2 3.45Å; A109-D113 PolarHBondContact O-N 2.82Å; V110-D113 PolarHBondContact O-N 3.11Å; D113-L115 PolarHBondContact O-N 3.17Å; D113-S116 PolarHBondContact O-N 3.35Å; D113-L117 WeakPolarHBondContact O-CB 3.36Å; D113-L117 PolarHBondContact O-N 3.03Å
114	L	97.1	Very high	97.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-38.8	177.5	-176.1	68.7	0	0	0	113.2	A39 I65 L67 V110 M111 D112 S116 S118 W121 I124	A39-L114 HydrophobicContact CB-CD1 3.93Å; A39-L114 HydrophobicContact CB-CD2 3.39Å; A39-L114 HydrophobicContact CB-CG 4.15Å; I65-L114 HydrophobicContact CD1-CD1 4.13Å; I65-L114 HydrophobicContact CG1-CD1 4.39Å; I65-L114 HydrophobicContact CG2-CD1 3.88Å; L67-L114 HydrophobicContact CB-CD1 4.29Å; L67-L114 HydrophobicContact CD2-CB 3.82Å; L67-L114 HydrophobicContact CD2-CD1 4.4Å; V110-L114 VanDerWaalsContact O-CB 3.32Å; V110-L114 WeakPolarHBondContact O-CB 3.48Å; V110-L114 PolarHBondContact O-N 2.82Å; M111-L114 PolarHBondContact O-N 2.77Å; D112-L114 VanDerWaalsContact C-N 3.28Å; D112-L114 PolarHBondContact O-N 2.98Å; L114-S116 VanDerWaalsContact C-N 3.25Å; L114-S116 PolarHBondContact O-N 2.73Å; L114-S118 PolarHBondContact O-N 2.82Å; L114-W121 HydrophobicContact CD2-CD2 4.41Å; L114-W121 HydrophobicContact CD2-CH2 4.22Å; L114-W121 HydrophobicContact CD2-CZ2 3.79Å; L114-W121 HydrophobicContact CG-CZ2 3.88Å; L114-W121 PolarHBondContact O-NE1 3.46Å; L114-I124 HydrophobicContact CD2-CD1 3.51Å; L114-I124 HydrophobicContact CD2-CG1 3.64Å
115	L	97.6	Very high	97.2	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-31.8	176.3	-73.4	169.2	0	0	0	112.1	M111 D112 D113 W121 R204 V207 R208 V211 R212	M111-L115 WeakPolarHBondContact O-CB 3.21Å; M111-L115 WeakPolarHBondContact O-CG 3.26Å; M111-L115 PolarHBondContact O-N 3.43Å; D112-L115 WeakPolarHBondContact O-CB 3.4Å; D112-L115 PolarHBondContact O-N 3.44Å; D112-L115 VanDerWaalsContact O-N 3.16Å; D113-L115 PolarHBondContact O-N 3.17Å; L115-W121 HydrophobicContact CD2-CH2 4.05Å; L115-W121 HydrophobicContact CD2-CZ2 3.73Å; L115-W121 HydrophobicContact CG-CZ2 4.25Å; L115-R204 HydrophobicContact CD2-CG 4.5Å; L115-R204 PolarHBondContact O-NH2 2.92Å; L115-V207 HydrophobicContact CD1-CG1 4.23Å; L115-V207 HydrophobicContact CD2-CG1 4.33Å; L115-V207 HydrophobicContact CG-CG1 4.29Å; L115-R208 HydrophobicContact CD2-CB 4.1Å; L115-V211 HydrophobicContact CD1-CB 3.68Å; L115-V211 HydrophobicContact CD1-CG1 3.84Å; L115-V211 HydrophobicContact CD1-CG2 4.02Å; L115-R212 VanDerWaalsContact CB-NH2 3.33Å; L115-R212 HydrophobicContact CD1-CG 4.29Å
116	S	96.8	Very high	97.3	Very high	86 Å²	86	28.2 Å²	28.2	60%	0.601	17%	0.168	S	C	*	.	H	α-helix	trans	-84.2	-36.9	177.4	-62.2	0	0	0	0	112.8	D112 D113 L114 R212	D112-S116 PolarHBondContact O-N 2.93Å; D112-S116 PolarHBondContact O-OG 3.34Å; D113-S116 PolarHBondContact O-N 3.35Å; L114-S116 VanDerWaalsContact C-N 3.25Å; L114-S116 PolarHBondContact O-N 2.73Å; S116-R212 PolarHBondContact OG-NH2 3.48Å
117	L	95.7	Very high	97.4	Very high	76 Å²	76	28.2 Å²	28.2	40%	0.398	17%	0.168	S	C	.	.	H	α-helix	trans	-68.3	-38.1	-178.2	179.4	64	0	0	0	112.6	I65 L67 H88 D113	I65-L117 HydrophobicContact CD1-CD2 3.73Å; I65-L117 HydrophobicContact CD1-CG 3.98Å; L67-L117 HydrophobicContact CD1-CD2 4.41Å; H88-L117 HydrophobicContact CB-CD2 4.15Å; D113-L117 WeakPolarHBondContact O-CB 3.36Å; D113-L117 PolarHBondContact O-N 3.03Å
118	S	95.3	Very high	97.3	Very high	27 Å²	27	28.5 Å²	28.5	19%	0.189	17%	0.17	C	C	.	.			trans	-152.6	138.7	-178.9	-169.8	0	0	0	0	113.2	L114 N120 W121 R204	L114-S118 PolarHBondContact O-N 2.82Å; S118-N120 WeakPolarHBondContact OG-CB 3.31Å; S118-N120 PolarHBondContact OG-N 3.46Å; S118-W121 PolarHBondContact O-NE1 2.98Å; S118-R204 PolarHBondContact O-NH2 2.79Å
119	S	95.7	Very high	97.2	Very high	103 Å²	103	29 Å²	29	72%	0.72	17%	0.172	S	C	*	.	S	Bend	trans	-85.7	-12.3	164.2	56	0	0	0	0	112.5	W121	S119-W121 PolarHBondContact O-N 2.83Å; S119-W121 VanDerWaalsContact O-N 3.15Å
120	N	95.5	Very high	97.1	Very high	93 Å²	93	29.1 Å²	29.1	50%	0.497	17%	0.172	S	C	.	.			trans	-92.8	48.2	-164.1	-161	26.3	0	0	0	114.1	K37 S118	K37-N120 WeakPolarHBondContact CD-O 3.38Å; K37-N120 VanDerWaalsContact CD-OD1 3.29Å; K37-N120 WeakPolarHBondContact CD-OD1 3.29Å; K37-N120 VanDerWaalsContact NZ-CG 3.26Å; K37-N120 PolarHBondContact NZ-ND2 3.18Å; K37-N120 VanDerWaalsContact NZ-ND2 3.12Å; K37-N120 PolarHBondContact NZ-OD1 2.87Å; S118-N120 WeakPolarHBondContact OG-CB 3.31Å; S118-N120 PolarHBondContact OG-N 3.46Å
121	W	98.2	Very high	97.1	Very high	5 Å²	5	29 Å²	29	2%	0.019	17%	0.172	C	C	.	.			trans	-147.1	154.3	175	57.9	-92.5	0	0	0	110.1	A39 I65 L114 L115 S118 S119 I124 R204 V207	A39-W121 HydrophobicContact CB-CB 4.03Å; A39-W121 HydrophobicContact CB-CD2 3.86Å; A39-W121 HydrophobicContact CB-CE3 4.06Å; A39-W121 HydrophobicContact CB-CG 3.85Å; I65-W121 HydrophobicContact CG2-CB 4.2Å; I65-W121 HydrophobicContact CG2-CG 4.33Å; L114-W121 HydrophobicContact CD2-CD2 4.41Å; L114-W121 HydrophobicContact CD2-CH2 4.22Å; L114-W121 HydrophobicContact CD2-CZ2 3.79Å; L114-W121 HydrophobicContact CG-CZ2 3.88Å; L114-W121 PolarHBondContact O-NE1 3.46Å; L115-W121 HydrophobicContact CD2-CH2 4.05Å; L115-W121 HydrophobicContact CD2-CZ2 3.73Å; L115-W121 HydrophobicContact CG-CZ2 4.25Å; S118-W121 PolarHBondContact O-NE1 2.98Å; S119-W121 PolarHBondContact O-N 2.83Å; S119-W121 VanDerWaalsContact O-N 3.15Å; W121-I124 HydrophobicContact CE3-CG1 4.25Å; W121-I124 HydrophobicContact CH2-CD1 3.91Å; W121-I124 HydrophobicContact CH2-CG1 3.81Å; W121-I124 HydrophobicContact CZ3-CD1 4.22Å; W121-I124 HydrophobicContact CZ3-CG1 3.6Å; W121-R204 HydrophobicContact CD2-CG 4.32Å; W121-R204 HydrophobicContact CE3-CB 3.74Å; W121-R204 HydrophobicContact CE3-CG 3.97Å; W121-R204 HydrophobicContact CH2-CB 3.81Å; W121-R204 HydrophobicContact CH2-CG 3.53Å; W121-R204 HydrophobicContact CZ2-CG 3.91Å; W121-R204 VanDerWaalsContact CZ3-CA 3.41Å; W121-R204 HydrophobicContact CZ3-CB 3.32Å; W121-R204 HydrophobicContact CZ3-CG 3.56Å; W121-R204 WeakPolarHBondContact O-CD 3.43Å; W121-V207 HydrophobicContact CH2-CB 4.15Å; W121-V207 HydrophobicContact CH2-CG1 4.1Å; W121-V207 HydrophobicContact CH2-CG2 4.41Å
122	D	98.4	Very high	97.1	Very high	52 Å²	52	29 Å²	29	28%	0.278	17%	0.172	S	C	.	.	S	Bend	trans	-109.3	-35.7	-175.8	-58.9	-62.3	0	0	0	112.1	A36 K37 H203 R204	A36-D122 VanDerWaalsContact CA-OD2 3.26Å; A36-D122 WeakPolarHBondContact CA-OD2 3.14Å; A36-D122 HydrophobicContact CB-CB 4.12Å; K37-D122 PolarHBondContact N-OD2 3.41Å; K37-D122 PolarHBondContact O-N 3.32Å; D122-H203 PolarHBondContact O-CD2 3.42Å; D122-R204 WeakPolarHBondContact O-CB 2.97Å; D122-R204 PolarHBondContact O-N 2.91Å
123	Y	98.8	Very high	97.1	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.8	-176.3	-70.5	-92.3	0	0	0	112.4	A36 K37 A39 L144 G149 T150 V201 L202 H203	A36-Y123 HydrophobicContact CB-CD2 4.19Å; A36-Y123 HydrophobicContact CB-CE2 4.45Å; K37-Y123 PolarHBondContact O-N 3.24Å; A39-Y123 PolarHBondContact N-O 3.14Å; Y123-L144 HydrophobicContact CD1-CD2 4.17Å; Y123-L144 HydrophobicContact CD2-CB 3.7Å; Y123-L144 HydrophobicContact CD2-CD1 4.19Å; Y123-L144 HydrophobicContact CD2-CD2 4.45Å; Y123-L144 HydrophobicContact CD2-CG 4.32Å; Y123-L144 HydrophobicContact CE1-CD2 4.28Å; Y123-L144 HydrophobicContact CE2-CB 3.73Å; Y123-L144 VanDerWaalsContact CE2-O 3.29Å; Y123-L144 WeakPolarHBondContact CE2-O 3.25Å; Y123-L144 HydrophobicContact CG-CB 4.29Å; Y123-L144 HydrophobicContact CG-CD1 4.05Å; Y123-L144 HydrophobicContact CG-CD2 4.25Å; Y123-L144 HydrophobicContact CG-CG 4.42Å; Y123-L144 PolarHBondContact OH-O 2.92Å; Y123-G149 PolarHBondContact OH-N 3.46Å; Y123-T150 VanDerWaalsContact CE1-O 3.3Å; Y123-T150 WeakPolarHBondContact CE1-O 3.42Å; Y123-V201 HydrophobicContact CD1-CG1 3.97Å; Y123-V201 HydrophobicContact CG-CG1 4.33Å; Y123-L202 CarbonylContact C-O 3.45Å; Y123-L202 VanDerWaalsContact CA-O 3.26Å; Y123-L202 WeakPolarHBondContact CA-O 3.29Å; Y123-H203 HydrophobicContact CD1-CB 4.07Å; Y123-H203 HydrophobicContact CE1-CB 3.74Å; Y123-H203 AromaticContact CE1-CD2 3.77Å; Y123-H203 AromaticContact CE2-CD2 3.88Å; Y123-H203 AromaticContact CZ-CD2 3.59Å
124	I	98.7	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.7	163.7	-67.8	-176.4	0	0	0	110	A39 L41 M111 L114 W121 F200 V201 L202 V207	A39-I124 HydrophobicContact CB-CG1 4.22Å; A39-I124 CarbonylContact O-C 3.58Å; A39-I124 VanDerWaalsContact O-CA 3.25Å; A39-I124 WeakPolarHBondContact O-CA 3.21Å; L41-I124 HydrophobicContact CB-CG2 3.92Å; L41-I124 HydrophobicContact CD1-CG2 4.5Å; M111-I124 HydrophobicContact CB-CD1 4.49Å; M111-I124 HydrophobicContact CG-CD1 3.75Å; L114-I124 HydrophobicContact CD2-CD1 3.51Å; L114-I124 HydrophobicContact CD2-CG1 3.64Å; W121-I124 HydrophobicContact CE3-CG1 4.25Å; W121-I124 HydrophobicContact CH2-CD1 3.91Å; W121-I124 HydrophobicContact CH2-CG1 3.81Å; W121-I124 HydrophobicContact CZ3-CD1 4.22Å; W121-I124 HydrophobicContact CZ3-CG1 3.6Å; I124-F200 HydrophobicContact CG2-CE2 4.31Å; I124-V201 CarbonylContact O-C 3.25Å; I124-V201 VanDerWaalsContact O-CA 3.22Å; I124-V201 WeakPolarHBondContact O-CA 3.41Å; I124-V201 WeakPolarHBondContact O-CG1 3.29Å; I124-L202 PolarHBondContact N-O 3.23Å; I124-L202 PolarHBondContact O-N 3.19Å; I124-V207 HydrophobicContact CD1-CB 4.33Å; I124-V207 HydrophobicContact CD1-CG1 3.76Å; I124-V207 HydrophobicContact CD1-CG2 3.73Å; I124-V207 HydrophobicContact CG1-CG2 4.17Å
125	V	98.7	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.5	166	179.6	0	0	0	0	108	I38 A39 F40 L41 L127 L140 V201 F301	I38-V125 HydrophobicContact CG2-CB 4.07Å; I38-V125 HydrophobicContact CG2-CG2 3.57Å; A39-V125 PolarHBondContact O-N 3.27Å; F40-V125 WeakPolarHBondContact CA-O 3.16Å; F40-V125 HydrophobicContact CD1-CB 4.01Å; F40-V125 HydrophobicContact CD1-CG1 4.23Å; F40-V125 HydrophobicContact CE1-CB 4.06Å; F40-V125 HydrophobicContact CE1-CG1 4.09Å; L41-V125 PolarHBondContact N-O 2.99Å; V125-L127 HydrophobicContact CG1-CD2 4.47Å; V125-L127 HydrophobicContact CG1-CG 4.33Å; V125-L140 HydrophobicContact CG2-CD2 4.23Å; V125-V201 HydrophobicContact CG1-CG2 4.4Å; V125-V201 HydrophobicContact CG2-CB 4.44Å; V125-V201 HydrophobicContact CG2-CG1 3.84Å; V125-V201 HydrophobicContact CG2-CG2 3.93Å; V125-F301 HydrophobicContact CG1-CD2 4.29Å; V125-F301 HydrophobicContact CG1-CE2 3.72Å; V125-F301 HydrophobicContact CG1-CZ 4.27Å
126	N	98.5	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	140	177.1	71.2	-31.4	0	0	0	112.5	L41 F107 D198 W199 F200 R255	L41-N126 HydrophobicContact CB-CB 4.4Å; L41-N126 HydrophobicContact CD2-CB 4.45Å; L41-N126 CarbonylContact O-C 3.15Å; L41-N126 VanDerWaalsContact O-CA 3.25Å; L41-N126 WeakPolarHBondContact O-CA 3.2Å; F107-N126 HydrophobicContact CE1-CB 4.29Å; N126-D198 PolarHBondContact ND2-O 2.71Å; N126-W199 WeakPolarHBondContact OD1-CA 3.36Å; N126-F200 HydrophobicContact CB-CD2 4.47Å; N126-F200 HydrophobicContact CB-CE2 4.01Å; N126-F200 HydrophobicContact CB-CZ 4.25Å; N126-F200 PolarHBondContact OD1-N 2.9Å; N126-F200 PolarHBondContact OD1-O 3.41Å; N126-F200 VanDerWaalsContact OD1-O 3.14Å; N126-R255 VanDerWaalsContact O-CZ 3.24Å; N126-R255 PolarHBondContact O-NH1 3.45Å; N126-R255 PolarHBondContact O-NH2 3.01Å; N126-R255 PolarHBondContact OD1-NH2 2.92Å
127	L	98.2	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145	-179.7	-62.9	169.5	0	0	0	110.7	F40 L41 L42 Q43 M55 I59 V125 D131 F301	F40-L127 HydrophobicContact CD1-CD1 3.65Å; F40-L127 HydrophobicContact CE1-CD1 3.96Å; L41-L127 PolarHBondContact O-N 3.49Å; L42-L127 WeakPolarHBondContact CA-O 3.38Å; L42-L127 HydrophobicContact CD2-CB 3.76Å; L42-L127 HydrophobicContact CD2-CD1 3.99Å; L42-L127 HydrophobicContact CD2-CG 4.33Å; Q43-L127 PolarHBondContact N-O 3.36Å; M55-L127 HydrophobicContact SD-CB 4.48Å; M55-L127 HydrophobicContact SD-CD1 4.38Å; I59-L127 HydrophobicContact CD1-CD1 3.93Å; V125-L127 HydrophobicContact CG1-CD2 4.47Å; V125-L127 HydrophobicContact CG1-CG 4.33Å; L127-D131 HydrophobicContact CB-CB 4.25Å; L127-D131 HydrophobicContact CD2-CB 3.66Å; L127-F301 HydrophobicContact CD1-CD1 4.29Å; L127-F301 HydrophobicContact CD1-CE1 3.83Å; L127-F301 HydrophobicContact CD1-CZ 4.21Å; L127-F301 HydrophobicContact CD2-CB 4.27Å; L127-F301 HydrophobicContact CD2-CD1 3.53Å; L127-F301 HydrophobicContact CD2-CD2 4.21Å; L127-F301 HydrophobicContact CD2-CE1 3.87Å; L127-F301 HydrophobicContact CD2-CE2 4.49Å; L127-F301 HydrophobicContact CD2-CG 3.74Å; L127-F301 HydrophobicContact CD2-CZ 4.35Å
128	S	96.4	Very high	96.6	Very high	7 Å²	7	22.4 Å²	22.4	5%	0.049	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	174.3	164	66.1	0	0	0	0	111.9	Q43 S130 D131	Q43-S128 WeakPolarHBondContact O-CA 3.15Å; S128-S130 PolarHBondContact O-N 3.25Å; S128-S130 VanDerWaalsContact O-N 3.14Å; S128-S130 PolarHBondContact OG-N 2.9Å; S128-S130 VanDerWaalsContact OG-N 3.12Å; S128-S130 PolarHBondContact OG-OG 2.83Å; S128-D131 WeakPolarHBondContact CB-OD2 3.34Å; S128-D131 PolarHBondContact N-OD2 3.21Å; S128-D131 PolarHBondContact O-N 3.31Å; S128-D131 PolarHBondContact OG-OD2 3.41Å
129	E	93.8	Very high	96.6	Very high	33 Å²	33	26.5 Å²	26.5	15%	0.154	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.1	167.2	70.4	-87.3	-150.6	0	0	113.8	F44 N45 G46 A48 Q51 V52	F44-E129 HydrophobicContact CD1-CB 3.78Å; F44-E129 HydrophobicContact CE1-CB 4.17Å; N45-E129 PolarHBondContact N-OE1 3.47Å; N45-E129 PolarHBondContact N-OE2 2.88Å; G46-E129 WeakPolarHBondContact CA-OE1 3.47Å; G46-E129 PolarHBondContact N-OE1 2.93Å; A48-E129 HydrophobicContact CB-CG 4.41Å; Q51-E129 VanDerWaalsContact CG-O 3.29Å; Q51-E129 WeakPolarHBondContact CG-O 3.2Å; V52-E129 HydrophobicContact CG2-CB 3.66Å
130	S	96.1	Very high	96.7	Very high	12 Å²	12	21.7 Å²	21.7	8%	0.084	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	2.8	-179.1	72.2	0	0	0	0	114.2	S128 K304 F305	S128-S130 PolarHBondContact O-N 3.25Å; S128-S130 VanDerWaalsContact O-N 3.14Å; S128-S130 PolarHBondContact OG-N 2.9Å; S128-S130 VanDerWaalsContact OG-N 3.12Å; S128-S130 PolarHBondContact OG-OG 2.83Å; S130-K304 WeakPolarHBondContact OG-CE 3.4Å; S130-F305 WeakPolarHBondContact CB-O 3.43Å; S130-F305 PolarHBondContact O-N 3.12Å
131	D	97.8	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	146	173.8	-71.1	-99.2	0	0	0	110.5	L127 S128 R255 A302	L127-D131 HydrophobicContact CB-CB 4.25Å; L127-D131 HydrophobicContact CD2-CB 3.66Å; S128-D131 WeakPolarHBondContact CB-OD2 3.34Å; S128-D131 PolarHBondContact N-OD2 3.21Å; S128-D131 PolarHBondContact O-N 3.31Å; S128-D131 PolarHBondContact OG-OD2 3.41Å; D131-R255 IonicContact OD1-NH1 3.5Å; D131-A302 WeakPolarHBondContact CA-O 3.33Å
132	L	97.2	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.6	167	-67	178.5	0	0	0	110.7	Q51 M55 M58 F301 A302 F305 I314 V317	Q51-L132 VanDerWaalsContact NE2-CD2 3.25Å; M55-L132 HydrophobicContact CB-CD2 4.03Å; M55-L132 HydrophobicContact CG-CD2 4.23Å; M58-L132 HydrophobicContact CE-CD2 3.34Å; M58-L132 HydrophobicContact CE-CG 4.35Å; L132-F301 CarbonylContact O-C 3.53Å; L132-F301 WeakPolarHBondContact O-CA 3.39Å; L132-A302 PolarHBondContact N-O 3Å; L132-A302 PolarHBondContact O-N 3.3Å; L132-F305 HydrophobicContact CB-CD2 3.71Å; L132-F305 HydrophobicContact CB-CE2 3.64Å; L132-F305 HydrophobicContact CB-CG 4.45Å; L132-F305 HydrophobicContact CB-CZ 4.34Å; L132-F305 HydrophobicContact CD1-CB 4.03Å; L132-F305 HydrophobicContact CD1-CD1 3.85Å; L132-F305 HydrophobicContact CD1-CD2 3.71Å; L132-F305 HydrophobicContact CD1-CE1 4.22Å; L132-F305 HydrophobicContact CD1-CE2 4.08Å; L132-F305 HydrophobicContact CD1-CG 3.58Å; L132-F305 HydrophobicContact CD1-CZ 4.33Å; L132-F305 HydrophobicContact CG-CB 4.28Å; L132-F305 HydrophobicContact CG-CD2 3.59Å; L132-F305 HydrophobicContact CG-CE2 4.03Å; L132-F305 HydrophobicContact CG-CG 3.92Å; L132-I314 HydrophobicContact CD1-CB 4.27Å; L132-I314 HydrophobicContact CD1-CG1 4.09Å; L132-I314 HydrophobicContact CD1-CG2 3.88Å; L132-V317 HydrophobicContact CB-CG1 4.19Å; L132-V317 HydrophobicContact CD1-CB 4.36Å; L132-V317 HydrophobicContact CD1-CG1 4.22Å
133	P	97	Very high	96.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	146.3	169.9	24.5	-30.1	0	0	0	111.3	M58 I59 F300 F301 V317 L321	M58-P133 HydrophobicContact CB-CG 3.56Å; M58-P133 HydrophobicContact CG-CG 4.46Å; M58-P133 HydrophobicContact SD-CG 4.16Å; I59-P133 HydrophobicContact CG2-CB 4.34Å; I59-P133 HydrophobicContact CG2-CG 3.81Å; P133-F300 CarbonylContact C-O 3.46Å; P133-F300 VanDerWaalsContact CA-O 3.29Å; P133-F300 WeakPolarHBondContact CA-O 3.49Å; P133-F301 HydrophobicContact CB-CD1 4.09Å; P133-F301 HydrophobicContact CB-CE1 3.91Å; P133-V317 VanDerWaalsContact O-CG1 3.26Å; P133-V317 WeakPolarHBondContact O-CG1 3.12Å; P133-L321 HydrophobicContact CB-CD1 3.76Å; P133-L321 HydrophobicContact CG-CD1 3.51Å; P133-L321 VanDerWaalsContact O-CD1 3.27Å; P133-L321 WeakPolarHBondContact O-CD1 3.17Å
134	L	95.5	Very high	96.7	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	8%	0.083	C	C	.	.	S	Bend	trans	-105.6	-18.2	168.4	-66.9	-171.3	0	0	0	112.4	F256 L290 A294 F300 A302	L134-F256 HydrophobicContact CD1-CB 4.14Å; L134-F256 HydrophobicContact CD1-CD1 4.26Å; L134-L290 HydrophobicContact CD2-CD2 3.9Å; L134-A294 HydrophobicContact CB-CB 4Å; L134-A294 HydrophobicContact CD1-CB 4.32Å; L134-F300 PolarHBondContact N-O 3.01Å; L134-A302 HydrophobicContact CD1-CB 3.8Å; L134-A302 HydrophobicContact CD2-CB 3.76Å; L134-A302 HydrophobicContact CG-CB 3.72Å
135	K	94.6	Very high	96.7	Very high	42 Å²	42	16.8 Å²	16.8	18%	0.183	9%	0.087	C	C	.	.	S	Bend	trans	-134.6	162.3	179	-61.9	-179.2	-178	-173	0	109.3	A294 H297 S299 F300 L321	K135-A294 WeakPolarHBondContact CE-O 3.38Å; K135-A294 PolarHBondContact NZ-O 3.34Å; K135-H297 PolarHBondContact NZ-O 3.28Å; K135-S299 WeakPolarHBondContact CE-O 3.15Å; K135-F300 HydrophobicContact CB-CD1 3.73Å; K135-F300 HydrophobicContact CB-CE1 4.06Å; K135-F300 HydrophobicContact CD-CD1 3.98Å; K135-F300 HydrophobicContact CD-CE1 3.85Å; K135-F300 HydrophobicContact CD-CG 4.39Å; K135-F300 HydrophobicContact CD-CZ 4.15Å; K135-F300 HydrophobicContact CG-CD1 4.39Å; K135-L321 VanDerWaalsContact C-CD2 3.5Å
136	S	93.6	Very high	96.5	Very high	41 Å²	41	19.9 Å²	19.9	29%	0.287	11%	0.109	S	C	.	.			trans	-61.6	141.8	175.1	64.4	0	0	0	0	111.3	D138 K139 L140	S136-D138 PolarHBondContact O-N 3.05Å; S136-K139 PolarHBondContact O-N 3.49Å; S136-K139 VanDerWaalsContact O-N 3.09Å; S136-K139 WeakPolarHBondContact OG-CG 3.21Å; S136-K139 PolarHBondContact OG-N 2.88Å; S136-L140 PolarHBondContact O-N 3.19Å
137	V	95.3	Very high	96.4	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-30.5	174.1	174.5	0	0	0	0	111.3	I38 F40 I59 H64 K139 L140 A141	I38-V137 HydrophobicContact CD1-CG1 4Å; F40-V137 HydrophobicContact CE2-CG1 4.24Å; F40-V137 HydrophobicContact CZ-CG1 3.87Å; F40-V137 HydrophobicContact CZ-CG2 4.22Å; I59-V137 HydrophobicContact CB-CG2 3.87Å; I59-V137 HydrophobicContact CG2-CG2 3.96Å; H64-V137 WeakPolarHBondContact NE2-CG1 3.4Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 2.86Å; V137-L140 WeakPolarHBondContact O-CA 3.42Å; V137-L140 WeakPolarHBondContact O-CB 3.28Å; V137-L140 PolarHBondContact O-N 3.45Å; V137-A141 PolarHBondContact O-N 3.19Å
138	D	95.7	Very high	96.2	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.203	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-42	173.2	-62.8	-74	0	0	0	112.9	K35 R61 S136 L140 A141 I142	K35-D138 IonicContact NZ-OD1 2.78Å; K35-D138 PolarHBondContact NZ-OD1 3.42Å; R61-D138 IonicContact CZ-OD2 3.73Å; R61-D138 IonicContact NE-OD1 3.79Å; R61-D138 IonicContact NE-OD2 2.88Å; R61-D138 PolarHBondContact NE-OD2 2.92Å; R61-D138 IonicContact NH2-OD2 3.71Å; R61-D138 PolarHBondContact NH2-OD2 3.33Å; S136-D138 PolarHBondContact O-N 3.05Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 3.25Å; D138-A141 PolarHBondContact O-N 2.96Å; D138-I142 VanDerWaalsContact O-CG1 3.28Å; D138-I142 WeakPolarHBondContact O-CG1 3.22Å; D138-I142 PolarHBondContact O-N 3.03Å; D138-I142 VanDerWaalsContact O-N 3.08Å
139	K	95.7	Very high	96.2	Very high	114 Å²	114	27.9 Å²	27.9	50%	0.496	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-34.6	176.2	-74.4	179.6	179.7	-172.6	0	111.6	S136 V137 L143 F300	S136-K139 PolarHBondContact O-N 3.49Å; S136-K139 VanDerWaalsContact O-N 3.09Å; S136-K139 WeakPolarHBondContact OG-CG 3.21Å; S136-K139 PolarHBondContact OG-N 2.88Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 2.86Å; K139-L143 PolarHBondContact O-N 3.23Å; K139-L143 VanDerWaalsContact O-N 3.08Å; K139-F300 HydrophobicContact CB-CE1 3.82Å
140	L	97.5	Very high	96.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-46.7	174.6	178.5	61	0	0	0	110.4	I38 V125 S136 V137 D138 I142 L143 L144 L254 F300 F301	I38-L140 HydrophobicContact CD1-CB 4.44Å; I38-L140 HydrophobicContact CD1-CD2 3.91Å; I38-L140 HydrophobicContact CD1-CG 3.95Å; V125-L140 HydrophobicContact CG2-CD2 4.23Å; S136-L140 PolarHBondContact O-N 3.19Å; V137-L140 WeakPolarHBondContact O-CA 3.42Å; V137-L140 WeakPolarHBondContact O-CB 3.28Å; V137-L140 PolarHBondContact O-N 3.45Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 3.25Å; L140-I142 VanDerWaalsContact C-N 3.28Å; L140-I142 PolarHBondContact O-N 2.94Å; L140-L143 HydrophobicContact CD1-CD2 4.46Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.29Å; L140-L143 VanDerWaalsContact O-N 3.12Å; L140-L144 HydrophobicContact CD1-CD1 3.91Å; L140-L144 HydrophobicContact CD1-CD2 4.33Å; L140-L144 HydrophobicContact CD1-CG 3.92Å; L140-L144 HydrophobicContact CD2-CD1 4.49Å; L140-L144 HydrophobicContact CG-CD1 3.82Å; L140-L144 HydrophobicContact CG-CG 4.22Å; L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.29Å; L140-L254 HydrophobicContact CD1-CD1 3.93Å; L140-F300 VanDerWaalsContact CA-CE1 3.49Å; L140-F300 HydrophobicContact CB-CD1 3.55Å; L140-F300 HydrophobicContact CB-CE1 3.84Å; L140-F300 HydrophobicContact CB-CG 4.13Å; L140-F300 HydrophobicContact CD1-CB 4.26Å; L140-F300 HydrophobicContact CD1-CD1 4.11Å; L140-F300 HydrophobicContact CD1-CD2 4.01Å; L140-F300 HydrophobicContact CD1-CE1 4.48Å; L140-F300 HydrophobicContact CD1-CE2 4.41Å; L140-F300 HydrophobicContact CD1-CG 3.85Å; L140-F300 HydrophobicContact CG-CD1 4.35Å; L140-F300 HydrophobicContact CG-CG 4.45Å; L140-F300 VanDerWaalsContact N-CE1 3.3Å; L140-F301 HydrophobicContact CD2-CE2 3.57Å; L140-F301 HydrophobicContact CD2-CZ 4.06Å
141	A	98	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-38.9	178.3	0	0	0	0	0	112.4	K35 A36 I38 V137 D138 A145	K35-A141 HydrophobicContact CB-CB 3.96Å; K35-A141 HydrophobicContact CG-CB 4.3Å; A36-A141 WeakPolarHBondContact CB-O 3.44Å; A36-A141 PolarHBondContact N-O 3.21Å; A36-A141 WeakPolarHBondContact O-CB 3.33Å; I38-A141 HydrophobicContact CD1-CB 4.22Å; V137-A141 PolarHBondContact O-N 3.19Å; D138-A141 PolarHBondContact O-N 2.96Å; A141-A145 WeakPolarHBondContact O-CB 3.38Å; A141-A145 PolarHBondContact O-N 2.88Å
142	I	97.7	Very high	96.6	Very high	41 Å²	41	27.7 Å²	27.7	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-66.2	-43.8	174.5	-66	167.2	0	0	0	111.4	V33 K35 D138 L140 A145 S146	V33-I142 HydrophobicContact CB-CD1 4.47Å; V33-I142 HydrophobicContact CG1-CB 4.29Å; V33-I142 HydrophobicContact CG1-CD1 3.94Å; V33-I142 HydrophobicContact CG1-CG1 3.73Å; V33-I142 HydrophobicContact CG1-CG2 3.64Å; K35-I142 HydrophobicContact CG-CG1 4.02Å; D138-I142 VanDerWaalsContact O-CG1 3.28Å; D138-I142 WeakPolarHBondContact O-CG1 3.22Å; D138-I142 PolarHBondContact O-N 3.03Å; D138-I142 VanDerWaalsContact O-N 3.08Å; L140-I142 VanDerWaalsContact C-N 3.28Å; L140-I142 PolarHBondContact O-N 2.94Å; I142-A145 PolarHBondContact O-N 3.06Å; I142-S146 PolarHBondContact O-N 3.04Å; I142-S146 PolarHBondContact O-OG 2.9Å
143	L	97.2	Very high	96.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-50.3	176.2	-176.9	82.3	0	0	0	110.6	V19 K139 L140 A145 S146 S147 L254 L298 F300	V19-L143 HydrophobicContact CB-CD1 4.2Å; V19-L143 HydrophobicContact CG1-CD1 3.32Å; V19-L143 HydrophobicContact CG1-CG 4.33Å; K139-L143 PolarHBondContact O-N 3.23Å; K139-L143 VanDerWaalsContact O-N 3.08Å; L140-L143 HydrophobicContact CD1-CD2 4.46Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.29Å; L140-L143 VanDerWaalsContact O-N 3.12Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A145 PolarHBondContact O-N 2.74Å; L143-S146 CarbonylContact O-C 3.52Å; L143-S146 PolarHBondContact O-N 2.96Å; L143-S146 PolarHBondContact O-OG 3.33Å; L143-S147 PolarHBondContact O-N 3.03Å; L143-S147 VanDerWaalsContact O-N 3.15Å; L143-S147 PolarHBondContact O-OG 3.2Å; L143-L254 HydrophobicContact CD2-CD1 3.97Å; L143-L254 HydrophobicContact CD2-CD2 4.07Å; L143-L298 HydrophobicContact CD1-CD1 3.99Å; L143-L298 HydrophobicContact CD1-CD2 4.49Å; L143-L298 HydrophobicContact CD2-CD1 4.25Å; L143-L298 HydrophobicContact CD2-CD2 4.45Å; L143-L298 HydrophobicContact CD2-CG 4.44Å; L143-F300 HydrophobicContact CB-CZ 4.34Å; L143-F300 HydrophobicContact CD2-CD2 4.41Å; L143-F300 HydrophobicContact CD2-CE2 3.6Å; L143-F300 HydrophobicContact CD2-CZ 4.03Å
144	L	98	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-36	-177	-66.3	179.5	0	0	0	111.9	A36 I38 Y123 L140 S146 S147 F152 V201	A36-L144 HydrophobicContact CB-CB 3.79Å; I38-L144 HydrophobicContact CD1-CD1 4.05Å; I38-L144 HydrophobicContact CG1-CD1 4.06Å; Y123-L144 HydrophobicContact CD1-CD2 4.17Å; Y123-L144 HydrophobicContact CD2-CB 3.7Å; Y123-L144 HydrophobicContact CD2-CD1 4.19Å; Y123-L144 HydrophobicContact CD2-CD2 4.45Å; Y123-L144 HydrophobicContact CD2-CG 4.32Å; Y123-L144 HydrophobicContact CE1-CD2 4.28Å; Y123-L144 HydrophobicContact CE2-CB 3.73Å; Y123-L144 VanDerWaalsContact CE2-O 3.29Å; Y123-L144 WeakPolarHBondContact CE2-O 3.25Å; Y123-L144 HydrophobicContact CG-CB 4.29Å; Y123-L144 HydrophobicContact CG-CD1 4.05Å; Y123-L144 HydrophobicContact CG-CD2 4.25Å; Y123-L144 HydrophobicContact CG-CG 4.42Å; Y123-L144 PolarHBondContact OH-O 2.92Å; L140-L144 HydrophobicContact CD1-CD1 3.91Å; L140-L144 HydrophobicContact CD1-CD2 4.33Å; L140-L144 HydrophobicContact CD1-CG 3.92Å; L140-L144 HydrophobicContact CD2-CD1 4.49Å; L140-L144 HydrophobicContact CG-CD1 3.82Å; L140-L144 HydrophobicContact CG-CG 4.22Å; L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.29Å; L144-S146 PolarHBondContact O-N 3.19Å; L144-S147 WeakPolarHBondContact O-CB 3.28Å; L144-S147 PolarHBondContact O-N 3.32Å; L144-S147 VanDerWaalsContact O-N 3.12Å; L144-F152 HydrophobicContact CD2-CD2 4.14Å; L144-F152 HydrophobicContact CD2-CE2 3.7Å; L144-V201 HydrophobicContact CD1-CG1 4.02Å; L144-V201 HydrophobicContact CD2-CG1 3.77Å
145	A	97.3	Very high	96.7	Very high	10 Å²	10	31.1 Å²	31.1	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-27	171.4	0	0	0	0	0	113.3	R34 A36 A141 I142 L143	R34-A145 HydrophobicContact CB-CB 4.32Å; R34-A145 HydrophobicContact CG-CB 4.14Å; R34-A145 PolarHBondContact NE-O 3.24Å; R34-A145 PolarHBondContact NH2-O 2.75Å; R34-A145 VanDerWaalsContact O-CB 3.22Å; R34-A145 WeakPolarHBondContact O-CB 3.28Å; A36-A145 HydrophobicContact CB-CB 4.22Å; A141-A145 WeakPolarHBondContact O-CB 3.38Å; A141-A145 PolarHBondContact O-N 2.88Å; I142-A145 PolarHBondContact O-N 3.06Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A145 PolarHBondContact O-N 2.74Å
146	S	96.1	Very high	96.8	Very high	66 Å²	66	30 Å²	30	46%	0.462	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.3	176.7	47.9	0	0	0	0	113.4	I142 L143 L144	I142-S146 PolarHBondContact O-N 3.04Å; I142-S146 PolarHBondContact O-OG 2.9Å; L143-S146 CarbonylContact O-C 3.52Å; L143-S146 PolarHBondContact O-N 2.96Å; L143-S146 PolarHBondContact O-OG 3.33Å; L144-S146 PolarHBondContact O-N 3.19Å
147	S	96.2	Very high	96.9	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.049	20%	0.204	C	C	.	.	S	Bend	trans	-91.1	6.1	-172.3	-63	0	0	0	0	115.3	L143 L144 G149 T150 F152	L143-S147 PolarHBondContact O-N 3.03Å; L143-S147 VanDerWaalsContact O-N 3.15Å; L143-S147 PolarHBondContact O-OG 3.2Å; L144-S147 WeakPolarHBondContact O-CB 3.28Å; L144-S147 PolarHBondContact O-N 3.32Å; L144-S147 VanDerWaalsContact O-N 3.12Å; S147-G149 VanDerWaalsContact C-N 3.33Å; S147-G149 PolarHBondContact O-N 3.13Å; S147-G149 VanDerWaalsContact O-N 3.09Å; S147-T150 WeakPolarHBondContact O-CB 3.46Å; S147-T150 PolarHBondContact O-N 2.82Å; S147-T150 PolarHBondContact O-OG1 3.21Å; S147-F152 WeakPolarHBondContact OG-CZ 3.44Å
148	N	93.7	Very high	97	Very high	153 Å²	153	38 Å²	38	82%	0.818	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.3	48.3	173	-161.9	30.8	0	0	0	115.9	T150	N148-T150 PolarHBondContact O-N 3.23Å
149	G	97.1	Very high	97	Very high	14 Å²	14	38.4 Å²	38.4	14%	0.144	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	12.2	178.9	0	0	0	0	0	116.1	Y123 S147 H203	Y123-G149 PolarHBondContact OH-N 3.46Å; S147-G149 VanDerWaalsContact C-N 3.33Å; S147-G149 PolarHBondContact O-N 3.13Å; S147-G149 VanDerWaalsContact O-N 3.09Å; G149-H203 WeakPolarHBondContact O-CB 3.31Å
150	T	98.5	Very high	97.1	Very high	36 Å²	36	37 Å²	37	22%	0.221	24%	0.236	C	C	.	.			trans	-64.8	130.9	-179.7	-62.6	0	0	0	0	112.6	Y123 S147 N148 F152 T248 S250	Y123-T150 VanDerWaalsContact CE1-O 3.3Å; Y123-T150 WeakPolarHBondContact CE1-O 3.42Å; S147-T150 WeakPolarHBondContact O-CB 3.46Å; S147-T150 PolarHBondContact O-N 2.82Å; S147-T150 PolarHBondContact O-OG1 3.21Å; N148-T150 PolarHBondContact O-N 3.23Å; T150-F152 HydrophobicContact CG2-CD1 4.45Å; T150-F152 HydrophobicContact CG2-CD2 4.34Å; T150-F152 HydrophobicContact CG2-CE1 4.09Å; T150-F152 HydrophobicContact CG2-CE2 3.97Å; T150-F152 HydrophobicContact CG2-CZ 3.83Å; T150-F152 WeakPolarHBondContact O-CD2 3.27Å; T150-F152 WeakPolarHBondContact O-CE2 3.3Å; T150-T248 CarbonylContact C-O 3.5Å; T150-T248 VanDerWaalsContact CA-O 3.3Å; T150-T248 WeakPolarHBondContact CA-O 3.36Å; T150-S250 VanDerWaalsContact CG2-CB 3.47Å
151	N	98.6	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	172	-64.5	-77.8	0	0	0	110.1	L202 H203 F206 L240 T248 S250	N151-L202 HydrophobicContact CB-CD2 4.05Å; N151-L202 WeakPolarHBondContact OD1-CA 3.41Å; N151-H203 PolarHBondContact OD1-N 3.15Å; N151-F206 WeakPolarHBondContact OD1-CB 3.21Å; N151-F206 WeakPolarHBondContact OD1-CD1 3.21Å; N151-L240 HydrophobicContact CB-CD1 4.17Å; N151-L240 HydrophobicContact CB-CD2 3.82Å; N151-T248 PolarHBondContact N-O 2.83Å; N151-T248 PolarHBondContact ND2-OG1 2.8Å; N151-S250 PolarHBondContact O-N 3.01Å
152	F	98.5	Very high	97	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.022	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	100.5	-175.7	-65.2	-88.5	0	0	0	110.5	L144 S147 T150 F200 V201 H252 L254	L144-F152 HydrophobicContact CD2-CD2 4.14Å; L144-F152 HydrophobicContact CD2-CE2 3.7Å; S147-F152 WeakPolarHBondContact OG-CZ 3.44Å; T150-F152 HydrophobicContact CG2-CD1 4.45Å; T150-F152 HydrophobicContact CG2-CD2 4.34Å; T150-F152 HydrophobicContact CG2-CE1 4.09Å; T150-F152 HydrophobicContact CG2-CE2 3.97Å; T150-F152 HydrophobicContact CG2-CZ 3.83Å; T150-F152 WeakPolarHBondContact O-CD2 3.27Å; T150-F152 WeakPolarHBondContact O-CE2 3.3Å; F152-F200 WeakPolarHBondContact O-CA 3.31Å; F152-V201 HydrophobicContact CB-CB 4.01Å; F152-V201 HydrophobicContact CD2-CB 4.11Å; F152-V201 HydrophobicContact CD2-CG1 4.37Å; F152-V201 HydrophobicContact CG-CB 4.45Å; F152-V201 PolarHBondContact N-O 3.2Å; F152-V201 PolarHBondContact O-N 2.77Å; F152-V201 VanDerWaalsContact O-N 3.07Å; F152-H252 CarbonylContact C-O 3.55Å; F152-H252 WeakPolarHBondContact CA-O 3.49Å; F152-H252 WeakPolarHBondContact CB-O 3.45Å; F152-H252 WeakPolarHBondContact CD1-O 3.45Å; F152-L254 HydrophobicContact CB-CD1 4.46Å; F152-L254 HydrophobicContact CB-CG 4.34Å; F152-L254 HydrophobicContact CD1-CD1 4.1Å; F152-L254 HydrophobicContact CD1-CD2 4.04Å; F152-L254 HydrophobicContact CD1-CG 3.97Å; F152-L254 HydrophobicContact CD2-CD1 4.29Å; F152-L254 HydrophobicContact CE1-CD1 4.43Å; F152-L254 HydrophobicContact CE1-CD2 4.27Å; F152-L254 HydrophobicContact CG-CD1 4.02Å; F152-L254 HydrophobicContact CG-CG 4.17Å
153	L	97.7	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.249	C	C	.	.			trans	-132.8	130.8	-178.4	-77.1	163.5	0	0	0	108.9	H155 F200 L202 F236 L240 S250 S251	L153-H155 PolarHBondContact O-CD2 3.44Å; L153-F200 HydrophobicContact CD2-CB 3.47Å; L153-F200 VanDerWaalsContact CD2-CB 3.47Å; L153-F200 HydrophobicContact CD2-CD1 4.26Å; L153-F200 HydrophobicContact CD2-CG 4.21Å; L153-F200 HydrophobicContact CG-CB 4.28Å; L153-L202 HydrophobicContact CD1-CD2 3.97Å; L153-L202 HydrophobicContact CD2-CD2 4.26Å; L153-L202 HydrophobicContact CG-CD2 3.99Å; L153-F236 HydrophobicContact CD1-CB 4.38Å; L153-F236 HydrophobicContact CD2-CB 4.37Å; L153-L240 HydrophobicContact CD1-CD2 3.74Å; L153-S250 CarbonylContact C-O 3.56Å; L153-S250 PolarHBondContact N-O 3.12Å; L153-S250 CarbonylContact O-C 3.55Å; L153-S251 CarbonylContact O-C 3.59Å; L153-S251 WeakPolarHBondContact O-CA 3.45Å
154	S	97	Very high	96.9	Very high	24 Å²	24	44.1 Å²	44.1	17%	0.168	28%	0.275	C	S	.	.			trans	-70	141.9	176	62	0	0	0	0	110.1	S197 H237 S251	S154-S197 WeakPolarHBondContact OG-CB 3.13Å; S154-S197 PolarHBondContact OG-N 3.03Å; S154-H237 PolarHBondContact O-CD2 3.32Å; S154-H237 VanDerWaalsContact O-CD2 3.27Å; S154-H237 PolarHBondContact O-NE2 3.22Å; S154-S251 WeakPolarHBondContact CA-O 3.04Å
155	H	97.3	Very high	96.7	Very high	57 Å²	57	50.9 Å²	50.9	26%	0.264	30%	0.304	S	S	.	.			trans	-105.5	142.6	178.4	-72.3	176.9	0	0	0	112.5	L153 A157 G195 S249	L153-H155 PolarHBondContact O-CD2 3.44Å; H155-A157 PolarHBondContact O-N 3.1Å; H155-G195 CarbonylContact C-O 3.52Å; H155-G195 WeakPolarHBondContact CA-O 3.39Å; H155-S249 PolarHBondContact CE1-OG 2.76Å; H155-S249 PolarHBondContact NE2-OG 3.19Å; H155-S249 VanDerWaalsContact NE2-OG 3.13Å
156	A	97	Very high	96.6	Very high	20 Å²	20	52 Å²	52	17%	0.165	31%	0.308	C	S	.	.			trans	-65.3	129.6	168.6	0	0	0	0	0	109.4	N158 F162 G195	A156-N158 VanDerWaalsContact C-N 3.3Å; A156-N158 PolarHBondContact O-N 3.02Å; A156-F162 HydrophobicContact CB-CB 3.72Å; A156-F162 HydrophobicContact CB-CD2 3.7Å; A156-F162 HydrophobicContact CB-CE2 4.45Å; A156-F162 HydrophobicContact CB-CG 3.74Å; A156-G195 PolarHBondContact N-O 3.43Å
157	A	95.3	Very high	96.6	Very high	115 Å²	115	48.9 Å²	48.9	95%	0.95	29%	0.286	S	S	*	.	S	Bend	trans	-65.5	-34.5	177.6	0	0	0	0	0	112.2	H155	H155-A157 PolarHBondContact O-N 3.1Å
158	N	97.2	Very high	96.7	Very high	95 Å²	95	48.6 Å²	48.6	51%	0.508	28%	0.284	S	S	.	.			trans	-130.8	106.9	175.4	-177.5	-45.4	0	0	0	109.3	A156 S160 S161 F162	A156-N158 VanDerWaalsContact C-N 3.3Å; A156-N158 PolarHBondContact O-N 3.02Å; N158-S160 PolarHBondContact OD1-N 3.25Å; N158-S160 VanDerWaalsContact OD1-N 3.16Å; N158-S161 PolarHBondContact O-N 3.39Å; N158-S161 PolarHBondContact OD1-N 2.86Å; N158-F162 WeakPolarHBondContact O-CB 3.35Å; N158-F162 PolarHBondContact O-N 3.19Å
159	V	96.5	Very high	96.8	Very high	48 Å²	48	42.8 Å²	42.8	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-41.1	-175.7	176.9	0	0	0	0	111.7	S161 F162 I163 F193	V159-S161 PolarHBondContact O-N 3.2Å; V159-F162 WeakPolarHBondContact O-CB 2.96Å; V159-F162 PolarHBondContact O-N 2.86Å; V159-F162 VanDerWaalsContact O-N 3.12Å; V159-I163 HydrophobicContact CG1-CD1 3.95Å; V159-I163 HydrophobicContact CG1-CG1 4.35Å; V159-I163 WeakPolarHBondContact O-CG1 3.29Å; V159-I163 PolarHBondContact O-N 3.19Å; V159-F193 HydrophobicContact CG1-CB 4.37Å; V159-F193 WeakPolarHBondContact CG1-O 3.29Å
160	S	96.1	Very high	96.8	Very high	83 Å²	83	45.7 Å²	45.7	58%	0.58	26%	0.259	S	S	*	.	H	α-helix	trans	-61.7	-44.6	179.4	-51.4	0	0	0	0	111.8	N158 F162 I163 I164	N158-S160 PolarHBondContact OD1-N 3.25Å; N158-S160 VanDerWaalsContact OD1-N 3.16Å; S160-F162 VanDerWaalsContact C-N 3.32Å; S160-F162 PolarHBondContact O-N 3.29Å; S160-I163 PolarHBondContact O-N 3.44Å; S160-I164 PolarHBondContact O-N 3.08Å
161	S	96.7	Very high	96.8	Very high	37 Å²	37	46.7 Å²	46.7	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-34.9	174.5	-179.8	0	0	0	0	112	N158 V159 K165	N158-S161 PolarHBondContact O-N 3.39Å; N158-S161 PolarHBondContact OD1-N 2.86Å; V159-S161 PolarHBondContact O-N 3.2Å; S161-K165 WeakPolarHBondContact O-CB 3.46Å; S161-K165 VanDerWaalsContact O-CG 3.3Å; S161-K165 WeakPolarHBondContact O-CG 3.49Å; S161-K165 PolarHBondContact O-N 2.94Å; S161-K165 WeakPolarHBondContact OG-CD 3.44Å; S161-K165 VanDerWaalsContact OG-CE 3.3Å; S161-K165 WeakPolarHBondContact OG-CE 3.01Å; S161-K165 PolarHBondContact OG-NZ 2.96Å
162	F	96.8	Very high	96.7	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-45.6	176.9	177.2	-89.9	0	0	0	111.5	A156 N158 V159 S160 I164 K165 Q166 L168 G195	A156-F162 HydrophobicContact CB-CB 3.72Å; A156-F162 HydrophobicContact CB-CD2 3.7Å; A156-F162 HydrophobicContact CB-CE2 4.45Å; A156-F162 HydrophobicContact CB-CG 3.74Å; N158-F162 WeakPolarHBondContact O-CB 3.35Å; N158-F162 PolarHBondContact O-N 3.19Å; V159-F162 WeakPolarHBondContact O-CB 2.96Å; V159-F162 PolarHBondContact O-N 2.86Å; V159-F162 VanDerWaalsContact O-N 3.12Å; S160-F162 VanDerWaalsContact C-N 3.32Å; S160-F162 PolarHBondContact O-N 3.29Å; F162-I164 VanDerWaalsContact C-N 3.31Å; F162-I164 PolarHBondContact O-N 3.26Å; F162-K165 PolarHBondContact O-N 2.91Å; F162-Q166 HydrophobicContact CD1-CG 4.12Å; F162-Q166 HydrophobicContact CD2-CG 3.85Å; F162-Q166 HydrophobicContact CE1-CB 4.49Å; F162-Q166 HydrophobicContact CE1-CG 3.84Å; F162-Q166 HydrophobicContact CE2-CG 3.57Å; F162-Q166 VanDerWaalsContact CE2-NE2 3.32Å; F162-Q166 HydrophobicContact CG-CG 4.12Å; F162-Q166 HydrophobicContact CZ-CG 3.55Å; F162-Q166 WeakPolarHBondContact O-CB 3.06Å; F162-Q166 VanDerWaalsContact O-CG 3.31Å; F162-Q166 WeakPolarHBondContact O-CG 3.38Å; F162-Q166 PolarHBondContact O-N 2.88Å; F162-L168 HydrophobicContact CD1-CD1 4.18Å; F162-L168 HydrophobicContact CE1-CD1 3.92Å; F162-G195 VanDerWaalsContact CZ-CA 3.44Å
163	I	96.8	Very high	96.6	Very high	30 Å²	30	48.5 Å²	48.5	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-53.4	-49.5	177.1	-73.2	166	0	0	0	110.9	V159 S160 G167 L168 D169 M187 F193	V159-I163 HydrophobicContact CG1-CD1 3.95Å; V159-I163 HydrophobicContact CG1-CG1 4.35Å; V159-I163 WeakPolarHBondContact O-CG1 3.29Å; V159-I163 PolarHBondContact O-N 3.19Å; S160-I163 PolarHBondContact O-N 3.44Å; I163-G167 PolarHBondContact O-N 3.04Å; I163-L168 HydrophobicContact CB-CB 4.45Å; I163-L168 HydrophobicContact CG1-CD1 4.09Å; I163-L168 HydrophobicContact CG2-CB 4.07Å; I163-L168 PolarHBondContact O-N 3.3Å; I163-D169 HydrophobicContact CG2-CB 4.47Å; I163-M187 HydrophobicContact CD1-CE 4.09Å; I163-M187 HydrophobicContact CG1-CE 4.19Å; I163-M187 HydrophobicContact CG2-CE 4.18Å; I163-M187 HydrophobicContact CG2-CG 4.45Å; I163-M187 HydrophobicContact CG2-SD 4.01Å; I163-F193 HydrophobicContact CD1-CB 4.27Å
164	I	96	Very high	96.5	Very high	106 Å²	106	50.5 Å²	50.5	54%	0.544	28%	0.284	S	S	.	.	H	α-helix	trans	-67.6	-47.4	-179.1	-62.8	168.4	0	0	0	111	S160 F162 Q166 G167	S160-I164 PolarHBondContact O-N 3.08Å; F162-I164 VanDerWaalsContact C-N 3.31Å; F162-I164 PolarHBondContact O-N 3.26Å; I164-Q166 VanDerWaalsContact C-N 3.33Å; I164-Q166 PolarHBondContact O-N 3.37Å; I164-G167 PolarHBondContact O-N 2.92Å; I164-G167 VanDerWaalsContact O-N 3.14Å
165	K	94.7	Very high	96.3	Very high	142 Å²	142	52.4 Å²	52.4	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-67	-33.4	-175.6	-76.4	172.9	176.7	155.9	0	113.3	S161 F162 G167 W274	S161-K165 WeakPolarHBondContact O-CB 3.46Å; S161-K165 VanDerWaalsContact O-CG 3.3Å; S161-K165 WeakPolarHBondContact O-CG 3.49Å; S161-K165 PolarHBondContact O-N 2.94Å; S161-K165 WeakPolarHBondContact OG-CD 3.44Å; S161-K165 VanDerWaalsContact OG-CE 3.3Å; S161-K165 WeakPolarHBondContact OG-CE 3.01Å; S161-K165 PolarHBondContact OG-NZ 2.96Å; F162-K165 PolarHBondContact O-N 2.91Å; K165-G167 VanDerWaalsContact C-N 3.29Å; K165-W274 PolarHBondContact O-NE1 3.01Å
166	Q	95.3	Very high	95.8	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.154	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.2	176.8	-63.3	-68	17.6	0	0	113.3	F162 I164 L168 L230 E233	F162-Q166 HydrophobicContact CD1-CG 4.12Å; F162-Q166 HydrophobicContact CD2-CG 3.85Å; F162-Q166 HydrophobicContact CE1-CB 4.49Å; F162-Q166 HydrophobicContact CE1-CG 3.84Å; F162-Q166 HydrophobicContact CE2-CG 3.57Å; F162-Q166 VanDerWaalsContact CE2-NE2 3.32Å; F162-Q166 HydrophobicContact CG-CG 4.12Å; F162-Q166 HydrophobicContact CZ-CG 3.55Å; F162-Q166 WeakPolarHBondContact O-CB 3.06Å; F162-Q166 VanDerWaalsContact O-CG 3.31Å; F162-Q166 WeakPolarHBondContact O-CG 3.38Å; F162-Q166 PolarHBondContact O-N 2.88Å; I164-Q166 VanDerWaalsContact C-N 3.33Å; I164-Q166 PolarHBondContact O-N 3.37Å; Q166-L168 VanDerWaalsContact C-N 3.26Å; Q166-L168 HydrophobicContact CB-CG 4.11Å; Q166-L168 PolarHBondContact O-N 3.05Å; Q166-L230 VanDerWaalsContact OE1-CD1 3.3Å; Q166-E233 PolarHBondContact NE2-OE2 2.9Å
167	G	96	Very high	95.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	30.5	-176.6	0	0	0	0	0	112.8	I163 I164 K165 D169 R170	I163-G167 PolarHBondContact O-N 3.04Å; I164-G167 PolarHBondContact O-N 2.92Å; I164-G167 VanDerWaalsContact O-N 3.14Å; K165-G167 VanDerWaalsContact C-N 3.29Å; G167-D169 PolarHBondContact O-N 2.9Å; G167-R170 WeakPolarHBondContact O-CA 3.26Å; G167-R170 WeakPolarHBondContact O-CB 3.37Å; G167-R170 PolarHBondContact O-N 3.4Å
168	L	97.2	Very high	95	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.5	177.5	-72	-173.8	0	0	0	111.8	F162 I163 Q166 R170 R185 M187 F193 W224 F225 T228	F162-L168 HydrophobicContact CD1-CD1 4.18Å; F162-L168 HydrophobicContact CE1-CD1 3.92Å; I163-L168 HydrophobicContact CB-CB 4.45Å; I163-L168 HydrophobicContact CG1-CD1 4.09Å; I163-L168 HydrophobicContact CG2-CB 4.07Å; I163-L168 PolarHBondContact O-N 3.3Å; Q166-L168 VanDerWaalsContact C-N 3.26Å; Q166-L168 HydrophobicContact CB-CG 4.11Å; Q166-L168 PolarHBondContact O-N 3.05Å; L168-R170 PolarHBondContact O-N 3Å; L168-R185 PolarHBondContact O-NE 3.4Å; L168-R185 PolarHBondContact O-NH2 3.42Å; L168-M187 HydrophobicContact CB-CE 4.3Å; L168-M187 HydrophobicContact CB-SD 4.27Å; L168-F193 HydrophobicContact CD1-CD1 4.24Å; L168-W224 HydrophobicContact CB-CH2 4.17Å; L168-W224 HydrophobicContact CD2-CH2 4.24Å; L168-W224 HydrophobicContact CD2-CZ3 4.28Å; L168-W224 WeakPolarHBondContact O-CH2 3.32Å; L168-W224 WeakPolarHBondContact O-CZ2 3.38Å; L168-F225 HydrophobicContact CD2-CE1 4.45Å; L168-T228 HydrophobicContact CD2-CG2 3.45Å; L168-T228 VanDerWaalsContact CD2-CG2 3.45Å
169	D	96.8	Very high	94.9	Very high	31 Å²	31	54.1 Å²	54.1	17%	0.166	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5.2	171.6	71.5	-31.8	0	0	0	113.6	I163 G167 T184 R185	I163-D169 HydrophobicContact CG2-CB 4.47Å; G167-D169 PolarHBondContact O-N 2.9Å; D169-T184 WeakPolarHBondContact O-CA 3.5Å; D169-R185 PolarHBondContact O-N 3.5Å
170	R	97.5	Very high	94.8	Very high	75 Å²	75	56.3 Å²	56.3	28%	0.283	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.5	177.8	-48.4	-61	158.2	160.2	-10.6	111.2	G167 L168 F172 R181 G183 R185 W274	G167-R170 WeakPolarHBondContact O-CA 3.26Å; G167-R170 WeakPolarHBondContact O-CB 3.37Å; G167-R170 PolarHBondContact O-N 3.4Å; L168-R170 PolarHBondContact O-N 3Å; R170-F172 HydrophobicContact CB-CD2 4.15Å; R170-F172 HydrophobicContact CB-CE2 3.6Å; R170-F172 HydrophobicContact CB-CZ 4.25Å; R170-F172 HydrophobicContact CG-CE2 4.44Å; R170-R181 HydrophobicContact CB-CG 4.34Å; R170-G183 CarbonylContact C-O 3.53Å; R170-G183 VanDerWaalsContact CA-O 3.25Å; R170-G183 WeakPolarHBondContact CA-O 2.76Å; R170-G183 WeakPolarHBondContact CB-O 3.49Å; R170-R185 WeakPolarHBondContact O-CD 3.29Å; R170-R185 PolarHBondContact O-NE 3.1Å; R170-W274 HydrophobicContact CG-CH2 4.01Å; R170-W274 HydrophobicContact CG-CZ3 3.93Å
171	L	97.5	Very high	94.8	Very high	57 Å²	57	58 Å²	58	30%	0.298	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.6	173.3	-172.1	71.4	0	0	0	109.2	L182 G183 R185 Y227	L171-L182 HydrophobicContact CB-CB 4.42Å; L171-L182 HydrophobicContact CD2-CB 4.13Å; L171-L182 HydrophobicContact CD2-CD1 4.07Å; L171-L182 HydrophobicContact CG-CB 4.42Å; L171-L182 PolarHBondContact O-N 2.74Å; L171-G183 PolarHBondContact N-O 2.65Å; L171-R185 HydrophobicContact CB-CB 4.49Å; L171-Y227 VanDerWaalsContact CD1-CB 3.47Å; L171-Y227 HydrophobicContact CD1-CG 4.15Å
172	F	97.5	Very high	94.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.7	174.5	-67.1	-97.4	0	0	0	112.1	R170 M179 W180 R181 Y227 L229 W274	R170-F172 HydrophobicContact CB-CD2 4.15Å; R170-F172 HydrophobicContact CB-CE2 3.6Å; R170-F172 HydrophobicContact CB-CZ 4.25Å; R170-F172 HydrophobicContact CG-CE2 4.44Å; F172-M179 HydrophobicContact CB-CE 3.68Å; F172-M179 HydrophobicContact CG-CE 4.45Å; F172-W180 CarbonylContact C-O 3.55Å; F172-W180 WeakPolarHBondContact CA-O 3.45Å; F172-R181 HydrophobicContact CD1-CB 3.86Å; F172-R181 HydrophobicContact CD1-CG 4.3Å; F172-R181 HydrophobicContact CE1-CB 3.59Å; F172-R181 HydrophobicContact CE1-CG 3.86Å; F172-R181 HydrophobicContact CZ-CB 4.25Å; F172-R181 HydrophobicContact CZ-CG 4.01Å; F172-Y227 PolarHBondContact N-O 3.09Å; F172-Y227 CarbonylContact O-C 3.51Å; F172-Y227 VanDerWaalsContact O-C 3.25Å; F172-Y227 WeakPolarHBondContact O-CA 3.48Å; F172-Y227 WeakPolarHBondContact O-CB 3.49Å; F172-L229 HydrophobicContact CD1-CB 4.22Å; F172-L229 HydrophobicContact CD2-CB 3.54Å; F172-L229 HydrophobicContact CE1-CB 4.18Å; F172-L229 HydrophobicContact CE1-CD2 4.09Å; F172-L229 HydrophobicContact CE2-CB 3.47Å; F172-L229 VanDerWaalsContact CE2-CB 3.47Å; F172-L229 HydrophobicContact CE2-CD2 4.09Å; F172-L229 HydrophobicContact CE2-CG 4.41Å; F172-L229 HydrophobicContact CG-CB 3.91Å; F172-L229 HydrophobicContact CZ-CB 3.82Å; F172-L229 HydrophobicContact CZ-CD2 3.66Å; F172-L229 HydrophobicContact CZ-CG 4.33Å; F172-W274 HydrophobicContact CE1-CB 4.43Å; F172-W274 HydrophobicContact CZ-CB 4.38Å; F172-W274 HydrophobicContact CZ-CD2 4.13Å; F172-W274 AromaticContact CZ-CE3 3.8Å; F172-W274 HydrophobicContact CZ-CE3 3.8Å; F172-W274 HydrophobicContact CZ-CG 4.41Å; F172-W274 HydrophobicContact CZ-CZ3 4.42Å
173	V	96.7	Very high	94.8	Very high	43 Å²	43	62 Å²	62	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.4	172.7	171.7	0	0	0	0	109.6	C175 W180 L182 Y227	V173-C175 HydrophobicContact CG1-CB 4.41Å; V173-W180 PolarHBondContact N-O 3.04Å; V173-W180 PolarHBondContact O-N 3.07Å; V173-L182 HydrophobicContact CB-CD1 4.29Å; V173-L182 HydrophobicContact CG2-CD1 3.48Å; V173-L182 VanDerWaalsContact CG2-CD1 3.48Å; V173-L182 HydrophobicContact CG2-CG 4.21Å; V173-Y227 HydrophobicContact CG2-CD1 3.95Å; V173-Y227 HydrophobicContact CG2-CE1 4.39Å
174	E	94.7	Very high	94.8	Very high	42 Å²	42	65.5 Å²	65.5	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.9	168.7	-168.7	168.4	150.4	0	0	109.7	I97 G100 S101 S102 R178 M179	I97-E174 HydrophobicContact CD1-CG 3.85Å; I97-E174 HydrophobicContact CG1-CG 4.47Å; G100-E174 WeakPolarHBondContact CA-OE2 3.49Å; S101-E174 PolarHBondContact N-OE2 3.12Å; S102-E174 VanDerWaalsContact CB-OE1 3.28Å; S102-E174 WeakPolarHBondContact CB-OE1 3.25Å; S102-E174 WeakPolarHBondContact CB-OE2 3.41Å; S102-E174 PolarHBondContact N-OE2 3.17Å; S102-E174 VanDerWaalsContact OG-CD 3.28Å; S102-E174 PolarHBondContact OG-OE1 2.86Å; S102-E174 PolarHBondContact OG-OE2 2.93Å; E174-R178 WeakPolarHBondContact CA-O 3.02Å; E174-M179 VanDerWaalsContact CA-SD 3.59Å; E174-M179 HydrophobicContact CB-SD 3.45Å; E174-M179 WeakPolarHBondContact CB-SD 3.4Å; E174-M179 HydrophobicContact CG-SD 3.85Å
175	C	92.8	Very high	94.9	Very high	64 Å²	64	62.2 Å²	62.2	43%	0.432	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.9	174.9	-166.3	0	0	0	0	109.9	V173 N177 R178 W180	V173-C175 HydrophobicContact CG1-CB 4.41Å; C175-N177 VanDerWaalsContact C-N 3.32Å; C175-N177 PolarHBondContact O-N 2.81Å; C175-R178 PolarHBondContact N-O 3.36Å; C175-R178 PolarHBondContact O-N 2.99Å; C175-W180 PolarHBondContact O-NE1 2.04Å
176	E	87.7	Confident	94.9	Very high	167 Å²	167	66.2 Å²	66.2	78%	0.78	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	40.8	177.4	-58.5	-174.1	148.5	0	0	114.8	R178	E176-R178 PolarHBondContact O-N 3.08Å
177	N	84.2	Confident	95	Very high	88 Å²	88	67.3 Å²	67.3	47%	0.471	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	27.8	-174.7	-61	-58.3	0	0	0	114.2	I97 C175	I97-N177 VanDerWaalsContact CD1-C 3.46Å; I97-N177 HydrophobicContact CG2-CB 4Å; C175-N177 VanDerWaalsContact C-N 3.32Å; C175-N177 PolarHBondContact O-N 2.81Å
178	R	90.9	Very high	94.9	Very high	68 Å²	68	69.2 Å²	69.2	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.4	176.4	-177.1	171	179.6	135.7	4.2	111.2	E174 C175 E176 W180 Q269 R270 V271 D273	E174-R178 WeakPolarHBondContact CA-O 3.02Å; C175-R178 PolarHBondContact N-O 3.36Å; C175-R178 PolarHBondContact O-N 2.99Å; E176-R178 PolarHBondContact O-N 3.08Å; R178-W180 HydrophobicContact CB-CZ2 4.5Å; R178-W180 HydrophobicContact CG-CD2 4.25Å; R178-W180 HydrophobicContact CG-CZ2 4.32Å; R178-Q269 PolarHBondContact NH2-O 2.9Å; R178-R270 PolarHBondContact NH1-O 2.94Å; R178-V271 CarbonylContact C-O 3.42Å; R178-V271 WeakPolarHBondContact CA-O 3.25Å; R178-V271 WeakPolarHBondContact CG-O 3.47Å; R178-D273 IonicContact CZ-OD1 3.85Å; R178-D273 IonicContact NE-OD1 2.74Å; R178-D273 PolarHBondContact NE-OD1 3.44Å; R178-D273 IonicContact NH2-OD1 3.27Å; R178-D273 PolarHBondContact NH2-OD1 3.35Å
179	M	93.9	Very high	94.7	Very high	0 Å²	0	80 Å²	80	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.1	169.1	-69.4	-61.8	-70.4	0	0	110.4	I97 F172 E174 V271 V272 D273	I97-M179 HydrophobicContact CD1-CG 4.06Å; F172-M179 HydrophobicContact CB-CE 3.68Å; F172-M179 HydrophobicContact CG-CE 4.45Å; E174-M179 VanDerWaalsContact CA-SD 3.59Å; E174-M179 HydrophobicContact CB-SD 3.45Å; E174-M179 WeakPolarHBondContact CB-SD 3.4Å; E174-M179 HydrophobicContact CG-SD 3.85Å; M179-V271 PolarHBondContact N-O 3.32Å; M179-V272 HydrophobicContact CB-CB 4.14Å; M179-V272 HydrophobicContact CB-CG1 3.89Å; M179-V272 HydrophobicContact CB-CG2 3.9Å; M179-V272 HydrophobicContact CG-CG2 4.05Å; M179-D273 PolarHBondContact O-N 3.26Å
180	W	95.2	Very high	94.6	Very high	95 Å²	95	90.5 Å²	90.5	36%	0.36	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.6	179.8	-60.7	96.1	0	0	0	110.8	F172 V173 C175 R178 L182 D273	F172-W180 CarbonylContact C-O 3.55Å; F172-W180 WeakPolarHBondContact CA-O 3.45Å; V173-W180 PolarHBondContact N-O 3.04Å; V173-W180 PolarHBondContact O-N 3.07Å; C175-W180 PolarHBondContact O-NE1 2.04Å; R178-W180 HydrophobicContact CB-CZ2 4.5Å; R178-W180 HydrophobicContact CG-CD2 4.25Å; R178-W180 HydrophobicContact CG-CZ2 4.32Å; W180-L182 HydrophobicContact CB-CD2 4.37Å; W180-D273 WeakPolarHBondContact CA-OD2 3.37Å
181	R	96.4	Very high	94.5	Very high	118 Å²	118	88.6 Å²	88.6	45%	0.445	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.2	174.2	-173.1	-178.2	68.9	-172.7	1.8	110	R170 F172 D273	R170-R181 HydrophobicContact CB-CG 4.34Å; F172-R181 HydrophobicContact CD1-CB 3.86Å; F172-R181 HydrophobicContact CD1-CG 4.3Å; F172-R181 HydrophobicContact CE1-CB 3.59Å; F172-R181 HydrophobicContact CE1-CG 3.86Å; F172-R181 HydrophobicContact CZ-CB 4.25Å; F172-R181 HydrophobicContact CZ-CG 4.01Å; R181-D273 HydrophobicContact CB-CB 3.68Å; R181-D273 PolarHBondContact N-OD2 2.63Å; R181-D273 VanDerWaalsContact N-OD2 3.08Å
182	L	96.7	Very high	94.4	Very high	110 Å²	110	93.8 Å²	93.8	58%	0.576	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	-23.9	-174.6	-59.5	-170.6	0	0	0	114.3	L171 V173 W180	L171-L182 HydrophobicContact CB-CB 4.42Å; L171-L182 HydrophobicContact CD2-CB 4.13Å; L171-L182 HydrophobicContact CD2-CD1 4.07Å; L171-L182 HydrophobicContact CG-CB 4.42Å; L171-L182 PolarHBondContact O-N 2.74Å; V173-L182 HydrophobicContact CB-CD1 4.29Å; V173-L182 HydrophobicContact CG2-CD1 3.48Å; V173-L182 VanDerWaalsContact CG2-CD1 3.48Å; V173-L182 HydrophobicContact CG2-CG 4.21Å; W180-L182 HydrophobicContact CB-CD2 4.37Å
183	G	97	Very high	94.4	Very high	31 Å²	31	94.6 Å²	94.6	32%	0.32	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-164.6	-179.2	0	0	0	0	0	113.2	R170 L171	R170-G183 CarbonylContact C-O 3.53Å; R170-G183 VanDerWaalsContact CA-O 3.25Å; R170-G183 WeakPolarHBondContact CA-O 2.76Å; R170-G183 WeakPolarHBondContact CB-O 3.49Å; L171-G183 PolarHBondContact N-O 2.65Å
184	T	97.2	Very high	94.4	Very high	104 Å²	104	93.5 Å²	93.5	64%	0.638	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	150.1	172.3	49.3	0	0	0	0	111.6	D169	D169-T184 WeakPolarHBondContact O-CA 3.5Å
185	R	96.7	Very high	94.6	Very high	37 Å²	37	91.5 Å²	91.5	14%	0.14	41%	0.41	C	S	.	.			trans	-134.3	156.8	167.3	66.8	179	179.5	179.6	-6.7	110.6	L168 D169 R170 L171 W224 Y227 T228	L168-R185 PolarHBondContact O-NE 3.4Å; L168-R185 PolarHBondContact O-NH2 3.42Å; D169-R185 PolarHBondContact O-N 3.5Å; R170-R185 WeakPolarHBondContact O-CD 3.29Å; R170-R185 PolarHBondContact O-NE 3.1Å; L171-R185 HydrophobicContact CB-CB 4.49Å; R185-W224 VanDerWaalsContact CZ-CE2 3.41Å; R185-W224 PolarHBondContact NH1-O 3.04Å; R185-W224 VanDerWaalsContact NH2-CZ3 3.26Å; R185-Y227 PolarHBondContact NH1-O 3.35Å; R185-T228 PolarHBondContact NH1-OG1 3.08Å; R185-T228 VanDerWaalsContact NH1-OG1 3.08Å; R185-T228 PolarHBondContact NH2-OG1 2.78Å
186	R	95.8	Very high	94.8	Very high	227 Å²	227	89.1 Å²	89.1	86%	0.857	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-80.6	140.9	175.1	-67.9	-177.4	176.2	179	-1	110.5
187	M	95.8	Very high	95.3	Very high	56 Å²	56	82.2 Å²	82.2	28%	0.276	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-68	137.7	171.6	-64.7	-59.7	-68.8	0	0	110	I163 L168 R189 F193 W224	I163-M187 HydrophobicContact CD1-CE 4.09Å; I163-M187 HydrophobicContact CG1-CE 4.19Å; I163-M187 HydrophobicContact CG2-CE 4.18Å; I163-M187 HydrophobicContact CG2-CG 4.45Å; I163-M187 HydrophobicContact CG2-SD 4.01Å; L168-M187 HydrophobicContact CB-CE 4.3Å; L168-M187 HydrophobicContact CB-SD 4.27Å; M187-R189 PolarHBondContact O-N 2.88Å; M187-F193 HydrophobicContact CE-CD1 3.66Å; M187-F193 HydrophobicContact CE-CD2 3.5Å; M187-F193 HydrophobicContact CE-CE1 3.61Å; M187-F193 HydrophobicContact CE-CE2 3.47Å; M187-F193 VanDerWaalsContact CE-CE2 3.47Å; M187-F193 HydrophobicContact CE-CG 3.61Å; M187-F193 HydrophobicContact CE-CZ 3.51Å; M187-W224 HydrophobicContact CE-CH2 4.1Å; M187-W224 HydrophobicContact CE-CZ2 4.21Å; M187-W224 HydrophobicContact SD-CH2 4.21Å; M187-W224 HydrophobicContact SD-CZ2 3.92Å
188	P	94.7	Very high	95.9	Very high	40 Å²	40	79.1 Å²	79.1	26%	0.26	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-55.4	135	174	-26.7	34.4	0	0	0	112.1	V191 F193 W224	P188-V191 HydrophobicContact CB-CB 4.33Å; P188-V191 HydrophobicContact CB-CG2 4.03Å; P188-F193 HydrophobicContact CB-CE2 4.37Å; P188-F193 HydrophobicContact CG-CE2 4.2Å; P188-F193 HydrophobicContact CG-CZ 3.95Å; P188-W224 HydrophobicContact CG-CD2 4.2Å; P188-W224 HydrophobicContact CG-CG 4.06Å; P188-W224 HydrophobicContact CG-CZ2 4.42Å
189	R	93.3	Very high	96.2	Very high	227 Å²	227	76 Å²	76	86%	0.857	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	151.8	173.7	-68.4	-177.2	170.6	177	-4.3	110	M187 V191	M187-R189 PolarHBondContact O-N 2.88Å; R189-V191 PolarHBondContact O-N 3.3Å
190	R	93.4	Very high	96.5	Very high	252 Å²	252	76 Å²	76	95%	0.951	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	23.5	176.9	-53.3	179.8	178.7	179.4	-1	114.6
191	V	95.9	Very high	96.6	Very high	34 Å²	34	71.5 Å²	71.5	21%	0.206	32%	0.322	C	S	.	.			trans	-117.7	123.7	171.7	176.4	0	0	0	0	108.6	P188 R189 F193 L221 T238	P188-V191 HydrophobicContact CB-CB 4.33Å; P188-V191 HydrophobicContact CB-CG2 4.03Å; R189-V191 PolarHBondContact O-N 3.3Å; V191-F193 HydrophobicContact CB-CD2 4.4Å; V191-F193 HydrophobicContact CB-CE2 3.95Å; V191-F193 HydrophobicContact CG1-CD2 4.04Å; V191-F193 HydrophobicContact CG1-CE2 3.71Å; V191-F193 HydrophobicContact CG1-CZ 4.17Å; V191-F193 PolarHBondContact O-N 2.04Å; V191-L221 HydrophobicContact CG1-CD2 3.99Å; V191-T238 HydrophobicContact CG1-CG2 3.52Å
192	R	96.2	Very high	96.7	Very high	167 Å²	167	65.9 Å²	65.9	63%	0.63	30%	0.301	S	S	*	.			trans	-81.7	103.8	173.1	-175.6	179.9	-179.6	178.8	1.7	109.9	N242	R192-N242 PolarHBondContact N-ND2 3.11Å; R192-N242 PolarHBondContact N-OD1 2.99Å; R192-N242 PolarHBondContact O-ND2 3.02Å
193	F	97.1	Very high	96.8	Very high	17 Å²	17	62.2 Å²	62.2	8%	0.075	28%	0.28	C	S	.	.			trans	-73.3	143.7	176.2	-80.2	-93.6	0	0	0	112.2	V159 I163 L168 M187 P188 V191 W224 F225 T238	V159-F193 HydrophobicContact CG1-CB 4.37Å; V159-F193 WeakPolarHBondContact CG1-O 3.29Å; I163-F193 HydrophobicContact CD1-CB 4.27Å; L168-F193 HydrophobicContact CD1-CD1 4.24Å; M187-F193 HydrophobicContact CE-CD1 3.66Å; M187-F193 HydrophobicContact CE-CD2 3.5Å; M187-F193 HydrophobicContact CE-CE1 3.61Å; M187-F193 HydrophobicContact CE-CE2 3.47Å; M187-F193 VanDerWaalsContact CE-CE2 3.47Å; M187-F193 HydrophobicContact CE-CG 3.61Å; M187-F193 HydrophobicContact CE-CZ 3.51Å; P188-F193 HydrophobicContact CB-CE2 4.37Å; P188-F193 HydrophobicContact CG-CE2 4.2Å; P188-F193 HydrophobicContact CG-CZ 3.95Å; V191-F193 HydrophobicContact CB-CD2 4.4Å; V191-F193 HydrophobicContact CB-CE2 3.95Å; V191-F193 HydrophobicContact CG1-CD2 4.04Å; V191-F193 HydrophobicContact CG1-CE2 3.71Å; V191-F193 HydrophobicContact CG1-CZ 4.17Å; V191-F193 PolarHBondContact O-N 2.04Å; F193-W224 HydrophobicContact CE1-CE3 4.28Å; F193-W224 AromaticContact CE1-CH2 3.59Å; F193-W224 HydrophobicContact CE1-CH2 3.59Å; F193-W224 HydrophobicContact CE1-CZ2 4.26Å; F193-W224 AromaticContact CE1-CZ3 3.62Å; F193-W224 HydrophobicContact CE1-CZ3 3.62Å; F193-W224 HydrophobicContact CZ-CE3 4.45Å; F193-W224 AromaticContact CZ-CH2 3.87Å; F193-W224 HydrophobicContact CZ-CH2 3.87Å; F193-W224 HydrophobicContact CZ-CZ2 4.07Å; F193-W224 HydrophobicContact CZ-CZ3 4.1Å; F193-F225 HydrophobicContact CE1-CE2 4.4Å; F193-F225 HydrophobicContact CE1-CZ 4.09Å; F193-T238 HydrophobicContact CD1-CG2 4.17Å; F193-T238 HydrophobicContact CE1-CG2 4.3Å; F193-T238 HydrophobicContact CG-CG2 4.47Å
194	Q	97.7	Very high	96.9	Very high	19 Å²	19	61.6 Å²	61.6	9%	0.089	27%	0.269	C	S	.	.			trans	-148.2	159.6	168.6	-179.7	56.8	-73.5	0	0	108.2	S234 H237 T238 Q241	Q194-S234 WeakPolarHBondContact O-CA 3.4Å; Q194-S234 WeakPolarHBondContact O-CB 3.26Å; Q194-H237 HydrophobicContact CB-CB 3.95Å; Q194-H237 HydrophobicContact CG-CB 3.95Å; Q194-H237 WeakPolarHBondContact O-CB 3.3Å; Q194-T238 PolarHBondContact N-OG1 3.27Å; Q194-T238 PolarHBondContact O-OG1 2.9Å; Q194-Q241 HydrophobicContact CB-CG 3.94Å; Q194-Q241 HydrophobicContact CG-CG 4.39Å
195	G	97.9	Very high	96.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	25%	0.253	C	S	.	.			trans	-164.6	-170.5	170.1	0	0	0	0	0	112.7	H155 A156 F162 E233	H155-G195 CarbonylContact C-O 3.52Å; H155-G195 WeakPolarHBondContact CA-O 3.39Å; A156-G195 PolarHBondContact N-O 3.43Å; F162-G195 VanDerWaalsContact CZ-CA 3.44Å; G195-E233 CarbonylContact C-O 3.57Å; G195-E233 WeakPolarHBondContact CA-O 3.27Å
196	G	97.2	Very high	97	Very high	15 Å²	15	57.7 Å²	57.7	16%	0.155	25%	0.247	C	C	.	.			trans	162.7	-133.8	-175.9	0	0	0	0	0	110.1	E233	G196-E233 PolarHBondContact N-O 2.66Å; G196-E233 VanDerWaalsContact O-CB 3.25Å; G196-E233 WeakPolarHBondContact O-CB 3.41Å; G196-E233 WeakPolarHBondContact O-CG 3.45Å
197	S	97.2	Very high	97.2	Very high	22 Å²	22	46.9 Å²	46.9	15%	0.154	21%	0.206	C	C	.	.			trans	-76.8	139.2	176.7	-172.6	0	0	0	0	111.8	S154 W199 H237 N253	S154-S197 WeakPolarHBondContact OG-CB 3.13Å; S154-S197 PolarHBondContact OG-N 3.03Å; S197-W199 PolarHBondContact O-N 3.42Å; S197-W199 VanDerWaalsContact OG-CD1 3.27Å; S197-W199 PolarHBondContact OG-N 3.01Å; S197-W199 VanDerWaalsContact OG-N 3.14Å; S197-H237 PolarHBondContact O-CE1 3.49Å; S197-H237 VanDerWaalsContact O-CE1 3.24Å; S197-N253 VanDerWaalsContact CB-ND2 3.3Å; S197-N253 WeakPolarHBondContact CB-ND2 3.22Å; S197-N253 PolarHBondContact OG-ND2 2.89Å
198	D	97.5	Very high	97.3	Very high	22 Å²	22	49.5 Å²	49.5	12%	0.118	21%	0.213	C	C	.	.	S	Bend	trans	-72.1	-1.6	165.7	61.8	-24	0	0	0	114.2	N126 F200 A232 E233	N126-D198 PolarHBondContact ND2-O 2.71Å; D198-F200 WeakPolarHBondContact O-CD1 3.35Å; D198-F200 WeakPolarHBondContact O-CE1 3.48Å; D198-A232 HydrophobicContact CB-CB 4Å; D198-E233 HydrophobicContact CB-CG 3.87Å
199	W	98.3	Very high	97.4	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.011	20%	0.204	C	C	.	.			trans	-97.3	121.9	173.1	-55.9	94.9	0	0	0	109.2	Q43 N126 S197 N253 R255 R303	Q43-W199 HydrophobicContact CG-CH2 4.23Å; Q43-W199 VanDerWaalsContact NE2-CH2 3.31Å; N126-W199 WeakPolarHBondContact OD1-CA 3.36Å; S197-W199 PolarHBondContact O-N 3.42Å; S197-W199 VanDerWaalsContact OG-CD1 3.27Å; S197-W199 PolarHBondContact OG-N 3.01Å; S197-W199 VanDerWaalsContact OG-N 3.14Å; W199-N253 VanDerWaalsContact O-CB 3.22Å; W199-N253 WeakPolarHBondContact O-CB 3.3Å; W199-N253 PolarHBondContact O-ND2 3.47Å; W199-R255 HydrophobicContact CB-CG 3.79Å; W199-R303 VanDerWaalsContact CE2-CZ 3.43Å
200	F	98.4	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.163	C	C	.	.			trans	-142.4	168.8	-168.3	49.8	-111.8	0	0	0	112.9	F107 M111 I124 N126 F152 L153 D198 L202 F236 R255	F107-F200 HydrophobicContact CD1-CZ 4.43Å; F107-F200 HydrophobicContact CE1-CZ 4.35Å; F107-F200 HydrophobicContact CE2-CE1 4.43Å; F107-F200 HydrophobicContact CZ-CE1 4.46Å; F107-F200 HydrophobicContact CZ-CZ 4.43Å; M111-F200 HydrophobicContact CE-CE2 3.71Å; M111-F200 HydrophobicContact CE-CZ 3.57Å; I124-F200 HydrophobicContact CG2-CE2 4.31Å; N126-F200 HydrophobicContact CB-CD2 4.47Å; N126-F200 HydrophobicContact CB-CE2 4.01Å; N126-F200 HydrophobicContact CB-CZ 4.25Å; N126-F200 PolarHBondContact OD1-N 2.9Å; N126-F200 PolarHBondContact OD1-O 3.41Å; N126-F200 VanDerWaalsContact OD1-O 3.14Å; F152-F200 WeakPolarHBondContact O-CA 3.31Å; L153-F200 HydrophobicContact CD2-CB 3.47Å; L153-F200 VanDerWaalsContact CD2-CB 3.47Å; L153-F200 HydrophobicContact CD2-CD1 4.26Å; L153-F200 HydrophobicContact CD2-CG 4.21Å; L153-F200 HydrophobicContact CG-CB 4.28Å; D198-F200 WeakPolarHBondContact O-CD1 3.35Å; D198-F200 WeakPolarHBondContact O-CE1 3.48Å; F200-L202 HydrophobicContact CB-CD2 4.25Å; F200-L202 HydrophobicContact CB-CG 4.27Å; F200-L202 HydrophobicContact CD2-CD1 3.67Å; F200-L202 HydrophobicContact CD2-CD2 4.4Å; F200-L202 HydrophobicContact CD2-CG 3.53Å; F200-L202 HydrophobicContact CE2-CD1 3.72Å; F200-L202 HydrophobicContact CE2-CG 4.06Å; F200-L202 HydrophobicContact CG-CD1 4.15Å; F200-L202 HydrophobicContact CG-CD2 4.42Å; F200-L202 HydrophobicContact CG-CG 4.01Å; F200-L202 HydrophobicContact CZ-CD1 4.26Å; F200-F236 HydrophobicContact CD1-CD2 4.2Å; F200-F236 AromaticContact CE1-CD2 3.68Å; F200-F236 HydrophobicContact CE1-CD2 3.68Å; F200-F236 AromaticContact CE1-CE2 3.62Å; F200-F236 HydrophobicContact CE1-CE2 3.62Å; F200-F236 HydrophobicContact CE1-CG 4.48Å; F200-F236 HydrophobicContact CE1-CZ 4.37Å; F200-F236 HydrophobicContact CZ-CD2 4.33Å; F200-F236 AromaticContact CZ-CE2 3.96Å; F200-F236 HydrophobicContact CZ-CE2 3.96Å; F200-F236 HydrophobicContact CZ-CZ 4.27Å; F200-R255 PolarHBondContact O-NH2 3.41Å
201	V	98.7	Very high	97.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.6	160.6	-175	0	0	0	0	108.2	Y123 I124 V125 L144 F152 L254	Y123-V201 HydrophobicContact CD1-CG1 3.97Å; Y123-V201 HydrophobicContact CG-CG1 4.33Å; I124-V201 CarbonylContact O-C 3.25Å; I124-V201 VanDerWaalsContact O-CA 3.22Å; I124-V201 WeakPolarHBondContact O-CA 3.41Å; I124-V201 WeakPolarHBondContact O-CG1 3.29Å; V125-V201 HydrophobicContact CG1-CG2 4.4Å; V125-V201 HydrophobicContact CG2-CB 4.44Å; V125-V201 HydrophobicContact CG2-CG1 3.84Å; V125-V201 HydrophobicContact CG2-CG2 3.93Å; L144-V201 HydrophobicContact CD1-CG1 4.02Å; L144-V201 HydrophobicContact CD2-CG1 3.77Å; F152-V201 HydrophobicContact CB-CB 4.01Å; F152-V201 HydrophobicContact CD2-CB 4.11Å; F152-V201 HydrophobicContact CD2-CG1 4.37Å; F152-V201 HydrophobicContact CG-CB 4.45Å; F152-V201 PolarHBondContact N-O 3.2Å; F152-V201 PolarHBondContact O-N 2.77Å; F152-V201 VanDerWaalsContact O-N 3.07Å; V201-L254 HydrophobicContact CG2-CD1 4.03Å
202	L	98.8	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.1	-172.6	-59.6	179.5	0	0	0	110.8	M111 Y123 I124 N151 L153 F200 F206 V207 F236	M111-L202 HydrophobicContact CE-CD1 4.2Å; Y123-L202 CarbonylContact C-O 3.45Å; Y123-L202 VanDerWaalsContact CA-O 3.26Å; Y123-L202 WeakPolarHBondContact CA-O 3.29Å; I124-L202 PolarHBondContact N-O 3.23Å; I124-L202 PolarHBondContact O-N 3.19Å; N151-L202 HydrophobicContact CB-CD2 4.05Å; N151-L202 WeakPolarHBondContact OD1-CA 3.41Å; L153-L202 HydrophobicContact CD1-CD2 3.97Å; L153-L202 HydrophobicContact CD2-CD2 4.26Å; L153-L202 HydrophobicContact CG-CD2 3.99Å; F200-L202 HydrophobicContact CB-CD2 4.25Å; F200-L202 HydrophobicContact CB-CG 4.27Å; F200-L202 HydrophobicContact CD2-CD1 3.67Å; F200-L202 HydrophobicContact CD2-CD2 4.4Å; F200-L202 HydrophobicContact CD2-CG 3.53Å; F200-L202 HydrophobicContact CE2-CD1 3.72Å; F200-L202 HydrophobicContact CE2-CG 4.06Å; F200-L202 HydrophobicContact CG-CD1 4.15Å; F200-L202 HydrophobicContact CG-CD2 4.42Å; F200-L202 HydrophobicContact CG-CG 4.01Å; F200-L202 HydrophobicContact CZ-CD1 4.26Å; L202-F206 HydrophobicContact CB-CD1 4.34Å; L202-F206 HydrophobicContact CD1-CD1 4.24Å; L202-F206 HydrophobicContact CD1-CE1 4.19Å; L202-F206 HydrophobicContact CD2-CD1 3.96Å; L202-F206 HydrophobicContact CD2-CE1 4.01Å; L202-F206 HydrophobicContact CG-CD1 4.39Å; L202-V207 HydrophobicContact CB-CG2 3.8Å; L202-V207 HydrophobicContact CD1-CG2 4.49Å; L202-F236 HydrophobicContact CD1-CD1 3.9Å; L202-F236 HydrophobicContact CD1-CE1 4.33Å; L202-F236 HydrophobicContact CD1-CG 4.26Å
203	H	98.7	Very high	97.6	Very high	32 Å²	32	25.4 Å²	25.4	15%	0.148	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	144.6	175.5	-173.6	-112	0	0	0	111.1	D122 Y123 G149 N151 D205 F206 V207	D122-H203 PolarHBondContact O-CD2 3.42Å; Y123-H203 HydrophobicContact CD1-CB 4.07Å; Y123-H203 HydrophobicContact CE1-CB 3.74Å; Y123-H203 AromaticContact CE1-CD2 3.77Å; Y123-H203 AromaticContact CE2-CD2 3.88Å; Y123-H203 AromaticContact CZ-CD2 3.59Å; G149-H203 WeakPolarHBondContact O-CB 3.31Å; N151-H203 PolarHBondContact OD1-N 3.15Å; H203-D205 IonicContact CE1-OD2 3.65Å; H203-D205 PolarHBondContact CE1-OD2 2.96Å; H203-D205 VanDerWaalsContact CE1-OD2 3.29Å; H203-D205 PolarHBondContact ND1-N 3.19Å; H203-D205 IonicContact ND1-OD2 3.58Å; H203-D205 PolarHBondContact O-N 2.8Å; H203-D205 VanDerWaalsContact O-N 3.16Å; H203-F206 PolarHBondContact O-N 3.41Å; H203-V207 WeakPolarHBondContact O-CG2 3.32Å; H203-V207 PolarHBondContact O-N 2.86Å
204	R	98.5	Very high	97.3	Very high	19 Å²	19	33.9 Å²	33.9	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-52.7	-39	-177.1	-179.3	163	-165.7	-13.8	-15	114	L115 S118 W121 D122 V207 R208	L115-R204 HydrophobicContact CD2-CG 4.5Å; L115-R204 PolarHBondContact O-NH2 2.92Å; S118-R204 PolarHBondContact O-NH2 2.79Å; W121-R204 HydrophobicContact CD2-CG 4.32Å; W121-R204 HydrophobicContact CE3-CB 3.74Å; W121-R204 HydrophobicContact CE3-CG 3.97Å; W121-R204 HydrophobicContact CH2-CB 3.81Å; W121-R204 HydrophobicContact CH2-CG 3.53Å; W121-R204 HydrophobicContact CZ2-CG 3.91Å; W121-R204 VanDerWaalsContact CZ3-CA 3.41Å; W121-R204 HydrophobicContact CZ3-CB 3.32Å; W121-R204 HydrophobicContact CZ3-CG 3.56Å; W121-R204 WeakPolarHBondContact O-CD 3.43Å; D122-R204 WeakPolarHBondContact O-CB 2.97Å; D122-R204 PolarHBondContact O-N 2.91Å; R204-V207 PolarHBondContact O-N 3.27Å; R204-R208 WeakPolarHBondContact O-CB 3.41Å; R204-R208 PolarHBondContact O-N 3.49Å
205	D	98	Very high	96.8	Very high	59 Å²	59	34.7 Å²	34.7	32%	0.316	16%	0.163	S	C	.	.	H	α-helix	trans	-68.4	-37.2	-179.8	-70	-28.8	0	0	0	112.7	H203 R208 F209 F245	H203-D205 IonicContact CE1-OD2 3.65Å; H203-D205 PolarHBondContact CE1-OD2 2.96Å; H203-D205 VanDerWaalsContact CE1-OD2 3.29Å; H203-D205 PolarHBondContact ND1-N 3.19Å; H203-D205 IonicContact ND1-OD2 3.58Å; H203-D205 PolarHBondContact O-N 2.8Å; H203-D205 VanDerWaalsContact O-N 3.16Å; D205-R208 PolarHBondContact O-N 2.92Å; D205-R208 IonicContact OD1-NH1 3.14Å; D205-R208 PolarHBondContact OD1-NH1 3.2Å; D205-F209 WeakPolarHBondContact O-CB 3.48Å; D205-F209 PolarHBondContact O-N 2.87Å; D205-F245 HydrophobicContact CB-CE1 3.81Å; D205-F245 HydrophobicContact CB-CZ 4.03Å; D205-F245 WeakPolarHBondContact O-CZ 3.48Å
206	F	98.4	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-41.1	174.4	177.7	-116.9	0	0	0	110.6	N151 L202 H203 R208 F209 V210 F236 V239 L240 F245	N151-F206 WeakPolarHBondContact OD1-CB 3.21Å; N151-F206 WeakPolarHBondContact OD1-CD1 3.21Å; L202-F206 HydrophobicContact CB-CD1 4.34Å; L202-F206 HydrophobicContact CD1-CD1 4.24Å; L202-F206 HydrophobicContact CD1-CE1 4.19Å; L202-F206 HydrophobicContact CD2-CD1 3.96Å; L202-F206 HydrophobicContact CD2-CE1 4.01Å; L202-F206 HydrophobicContact CG-CD1 4.39Å; H203-F206 PolarHBondContact O-N 3.41Å; F206-R208 PolarHBondContact O-N 3.3Å; F206-F209 HydrophobicContact CE2-CD1 4.5Å; F206-F209 WeakPolarHBondContact O-CB 3.33Å; F206-F209 PolarHBondContact O-N 2.87Å; F206-V210 HydrophobicContact CD1-CG2 4.19Å; F206-V210 HydrophobicContact CD2-CG2 3.98Å; F206-V210 HydrophobicContact CE1-CG2 3.74Å; F206-V210 HydrophobicContact CE2-CG2 3.51Å; F206-V210 HydrophobicContact CG-CG2 4.3Å; F206-V210 HydrophobicContact CZ-CG2 3.37Å; F206-V210 WeakPolarHBondContact O-CB 3.45Å; F206-V210 VanDerWaalsContact O-CG2 3.28Å; F206-V210 WeakPolarHBondContact O-CG2 3.06Å; F206-V210 PolarHBondContact O-N 2.59Å; F206-F236 WeakPolarHBondContact CZ-O 3.39Å; F206-V239 HydrophobicContact CE2-CG1 4.1Å; F206-V239 HydrophobicContact CZ-CB 4.37Å; F206-V239 HydrophobicContact CZ-CG1 4.32Å; F206-L240 HydrophobicContact CD1-CD1 4.26Å; F206-L240 HydrophobicContact CD2-CD1 3.67Å; F206-L240 HydrophobicContact CE1-CB 4.35Å; F206-L240 HydrophobicContact CE1-CD1 4.19Å; F206-L240 HydrophobicContact CE2-CB 3.89Å; F206-L240 HydrophobicContact CE2-CD1 3.59Å; F206-L240 HydrophobicContact CE2-CG 4.37Å; F206-L240 HydrophobicContact CG-CD1 4.01Å; F206-L240 HydrophobicContact CZ-CB 3.64Å; F206-L240 HydrophobicContact CZ-CD1 3.87Å; F206-L240 HydrophobicContact CZ-CG 4.34Å; F206-F245 HydrophobicContact CB-CD1 4.14Å; F206-F245 HydrophobicContact CB-CE1 4.23Å; F206-F245 HydrophobicContact CB-CG 4.3Å; F206-F245 HydrophobicContact CB-CZ 4.49Å; F206-F245 HydrophobicContact CD2-CB 3.97Å; F206-F245 AromaticContact CD2-CD2 3.75Å; F206-F245 HydrophobicContact CD2-CD2 3.75Å; F206-F245 HydrophobicContact CD2-CE2 4.33Å; F206-F245 AromaticContact CD2-CG 3.84Å; F206-F245 HydrophobicContact CD2-CG 3.84Å
207	V	98.5	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-47	173.5	176.9	0	0	0	0	110.9	M111 L115 W121 I124 L202 H203 R204 F209 V210 V211	M111-V207 HydrophobicContact CB-CG1 3.82Å; M111-V207 HydrophobicContact CG-CG1 3.96Å; M111-V207 HydrophobicContact SD-CG1 4Å; L115-V207 HydrophobicContact CD1-CG1 4.23Å; L115-V207 HydrophobicContact CD2-CG1 4.33Å; L115-V207 HydrophobicContact CG-CG1 4.29Å; W121-V207 HydrophobicContact CH2-CB 4.15Å; W121-V207 HydrophobicContact CH2-CG1 4.1Å; W121-V207 HydrophobicContact CH2-CG2 4.41Å; I124-V207 HydrophobicContact CD1-CB 4.33Å; I124-V207 HydrophobicContact CD1-CG1 3.76Å; I124-V207 HydrophobicContact CD1-CG2 3.73Å; I124-V207 HydrophobicContact CG1-CG2 4.17Å; L202-V207 HydrophobicContact CB-CG2 3.8Å; L202-V207 HydrophobicContact CD1-CG2 4.49Å; H203-V207 WeakPolarHBondContact O-CG2 3.32Å; H203-V207 PolarHBondContact O-N 2.86Å; R204-V207 PolarHBondContact O-N 3.27Å; V207-F209 VanDerWaalsContact C-N 3.31Å; V207-F209 PolarHBondContact O-N 3.14Å; V207-V210 PolarHBondContact O-N 3.14Å; V207-V211 HydrophobicContact CG1-CG2 4.25Å; V207-V211 WeakPolarHBondContact O-CB 3.45Å; V207-V211 VanDerWaalsContact O-CG2 3.29Å; V207-V211 WeakPolarHBondContact O-CG2 3.02Å; V207-V211 PolarHBondContact O-N 3.29Å
208	R	98	Very high	96.3	Very high	111 Å²	111	39 Å²	39	42%	0.419	19%	0.186	S	C	.	.	H	α-helix	trans	-57.9	-44.3	176.7	-174.6	-173.1	-69	140.2	-1.2	111.3	L115 R204 D205 F206 V211 R212	L115-R208 HydrophobicContact CD2-CB 4.1Å; R204-R208 WeakPolarHBondContact O-CB 3.41Å; R204-R208 PolarHBondContact O-N 3.49Å; D205-R208 PolarHBondContact O-N 2.92Å; D205-R208 IonicContact OD1-NH1 3.14Å; D205-R208 PolarHBondContact OD1-NH1 3.2Å; F206-R208 PolarHBondContact O-N 3.3Å; R208-V211 PolarHBondContact O-N 3.09Å; R208-R212 WeakPolarHBondContact O-CB 3.17Å; R208-R212 PolarHBondContact O-N 2.77Å
209	F	97.8	Very high	96.1	Very high	18 Å²	18	40.5 Å²	40.5	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-52.5	175.5	176.4	-96.8	0	0	0	111.5	D205 F206 V207 V211 E213 V218 V239 F245	D205-F209 WeakPolarHBondContact O-CB 3.48Å; D205-F209 PolarHBondContact O-N 2.87Å; F206-F209 HydrophobicContact CE2-CD1 4.5Å; F206-F209 WeakPolarHBondContact O-CB 3.33Å; F206-F209 PolarHBondContact O-N 2.87Å; V207-F209 VanDerWaalsContact C-N 3.31Å; V207-F209 PolarHBondContact O-N 3.14Å; F209-V211 PolarHBondContact O-N 2.93Å; F209-V211 VanDerWaalsContact O-N 3.16Å; F209-E213 HydrophobicContact CD2-CB 3.85Å; F209-E213 HydrophobicContact CD2-CG 3.75Å; F209-E213 VanDerWaalsContact CD2-OE2 3.28Å; F209-E213 WeakPolarHBondContact CD2-OE2 3.44Å; F209-E213 HydrophobicContact CE2-CB 4.07Å; F209-E213 HydrophobicContact CE2-CG 3.48Å; F209-E213 VanDerWaalsContact CE2-CG 3.48Å; F209-E213 WeakPolarHBondContact CE2-OE2 3.37Å; F209-E213 HydrophobicContact CG-CB 4.25Å; F209-E213 HydrophobicContact CZ-CG 4.05Å; F209-E213 WeakPolarHBondContact O-CB 3.49Å; F209-E213 PolarHBondContact O-N 2.86Å; F209-E213 VanDerWaalsContact O-N 3.07Å; F209-V218 HydrophobicContact CD1-CG2 4.34Å; F209-V218 HydrophobicContact CE1-CG2 3.73Å; F209-V218 HydrophobicContact CZ-CG2 4Å; F209-V239 HydrophobicContact CD1-CG1 4.24Å; F209-V239 HydrophobicContact CE1-CG1 3.87Å; F209-F245 HydrophobicContact CB-CD2 4.33Å; F209-F245 HydrophobicContact CB-CE2 3.42Å; F209-F245 VanDerWaalsContact CB-CE2 3.42Å; F209-F245 HydrophobicContact CB-CZ 4Å; F209-F245 HydrophobicContact CD1-CD2 4.16Å; F209-F245 HydrophobicContact CD1-CE2 4Å; F209-F245 AromaticContact CD2-CE2 3.98Å; F209-F245 HydrophobicContact CD2-CE2 3.98Å; F209-F245 HydrophobicContact CG-CD2 4.16Å; F209-F245 AromaticContact CG-CE2 3.54Å; F209-F245 HydrophobicContact CG-CE2 3.54Å
210	V	97.5	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-35.2	-179.8	171.2	0	0	0	0	112.1	L108 F206 V207 V218 R222 F235 F236 V239	L108-V210 HydrophobicContact CD2-CG1 3.75Å; F206-V210 HydrophobicContact CD1-CG2 4.19Å; F206-V210 HydrophobicContact CD2-CG2 3.98Å; F206-V210 HydrophobicContact CE1-CG2 3.74Å; F206-V210 HydrophobicContact CE2-CG2 3.51Å; F206-V210 HydrophobicContact CG-CG2 4.3Å; F206-V210 HydrophobicContact CZ-CG2 3.37Å; F206-V210 WeakPolarHBondContact O-CB 3.45Å; F206-V210 VanDerWaalsContact O-CG2 3.28Å; F206-V210 WeakPolarHBondContact O-CG2 3.06Å; F206-V210 PolarHBondContact O-N 2.59Å; V207-V210 PolarHBondContact O-N 3.14Å; V210-V218 WeakPolarHBondContact O-CG1 3.25Å; V210-R222 PolarHBondContact O-NH2 3.46Å; V210-F235 HydrophobicContact CG1-CE1 3.57Å; V210-F235 HydrophobicContact CG1-CZ 4.08Å; V210-F236 HydrophobicContact CG1-CD1 4.19Å; V210-F236 HydrophobicContact CG1-CE1 3.96Å; V210-V239 HydrophobicContact CG2-CG1 3.9Å
211	V	97.3	Very high	95.9	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.085	23%	0.23	C	C	.	.	H	α-helix	trans	-88.5	-44.8	-175.4	176.9	0	0	0	0	113.5	M111 D112 L115 V207 R208 F209 R222	M111-V211 HydrophobicContact CB-CG2 3.62Å; D112-V211 HydrophobicContact CB-CG1 3.47Å; D112-V211 VanDerWaalsContact CB-CG1 3.47Å; D112-V211 WeakPolarHBondContact OD1-CG1 3.03Å; L115-V211 HydrophobicContact CD1-CB 3.68Å; L115-V211 HydrophobicContact CD1-CG1 3.84Å; L115-V211 HydrophobicContact CD1-CG2 4.02Å; V207-V211 HydrophobicContact CG1-CG2 4.25Å; V207-V211 WeakPolarHBondContact O-CB 3.45Å; V207-V211 VanDerWaalsContact O-CG2 3.29Å; V207-V211 WeakPolarHBondContact O-CG2 3.02Å; V207-V211 PolarHBondContact O-N 3.29Å; R208-V211 PolarHBondContact O-N 3.09Å; F209-V211 PolarHBondContact O-N 2.93Å; F209-V211 VanDerWaalsContact O-N 3.16Å; V211-R222 PolarHBondContact O-NH2 2.87Å
212	R	96	Very high	95.8	Very high	111 Å²	111	50.6 Å²	50.6	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-112.8	-7.9	-165.8	-60.2	-172.1	175.3	-179.3	-2	114.6	D112 L115 S116 R208	D112-R212 IonicContact OD1-CZ 3.07Å; D112-R212 IonicContact OD1-NE 3.11Å; D112-R212 PolarHBondContact OD1-NE 3.49Å; D112-R212 VanDerWaalsContact OD1-NE 3.07Å; D112-R212 IonicContact OD1-NH2 2.74Å; D112-R212 PolarHBondContact OD1-NH2 3.39Å; D112-R212 VanDerWaalsContact OD1-NH2 3.11Å; L115-R212 VanDerWaalsContact CB-NH2 3.33Å; L115-R212 HydrophobicContact CD1-CG 4.29Å; S116-R212 PolarHBondContact OG-NH2 3.48Å; R208-R212 WeakPolarHBondContact O-CB 3.17Å; R208-R212 PolarHBondContact O-N 2.77Å
213	E	92.6	Very high	95.7	Very high	71 Å²	71	55.1 Å²	55.1	33%	0.332	26%	0.264	S	S	.	.			trans	-63.9	135.7	176.3	-176.9	59	-106.3	0	0	110.8	F209 S215 V218	F209-E213 HydrophobicContact CD2-CB 3.85Å; F209-E213 HydrophobicContact CD2-CG 3.75Å; F209-E213 VanDerWaalsContact CD2-OE2 3.28Å; F209-E213 WeakPolarHBondContact CD2-OE2 3.44Å; F209-E213 HydrophobicContact CE2-CB 4.07Å; F209-E213 HydrophobicContact CE2-CG 3.48Å; F209-E213 VanDerWaalsContact CE2-CG 3.48Å; F209-E213 WeakPolarHBondContact CE2-OE2 3.37Å; F209-E213 HydrophobicContact CG-CB 4.25Å; F209-E213 HydrophobicContact CZ-CG 4.05Å; F209-E213 WeakPolarHBondContact O-CB 3.49Å; F209-E213 PolarHBondContact O-N 2.86Å; F209-E213 VanDerWaalsContact O-N 3.07Å; E213-S215 VanDerWaalsContact CG-OG 3.25Å; E213-S215 WeakPolarHBondContact CG-OG 3.43Å; E213-S215 PolarHBondContact OE1-N 2.94Å; E213-V218 HydrophobicContact CB-CG2 4.15Å; E213-V218 HydrophobicContact CG-CG2 4.16Å
214	K	89.3	Confident	95.6	Very high	194 Å²	194	55.4 Å²	55.4	84%	0.843	26%	0.264	S	S	*	.			trans	-98.7	-0.3	178.7	-64.2	-173.8	-179.5	-178.8	0	112.8
215	S	87.8	Confident	95.5	Very high	37 Å²	37	54.5 Å²	54.5	26%	0.259	26%	0.26	S	S	.	.	S	Bend	trans	-52.9	149.2	176.6	76	0	0	0	0	113.2	E213 L217 V218 S219	E213-S215 VanDerWaalsContact CG-OG 3.25Å; E213-S215 WeakPolarHBondContact CG-OG 3.43Å; E213-S215 PolarHBondContact OE1-N 2.94Å; S215-L217 PolarHBondContact O-N 3.35Å; S215-V218 PolarHBondContact O-N 3.44Å; S215-S219 PolarHBondContact O-N 3.2Å; S215-S219 PolarHBondContact O-OG 2.88Å
216	S	92	Very high	95.5	Very high	84 Å²	84	58 Å²	58	59%	0.587	27%	0.269	S	S	*	.	H	α-helix	trans	-59.5	-31.3	175.6	58.1	0	0	0	0	112.7	H220	S216-H220 VanDerWaalsContact O-CB 3.27Å; S216-H220 WeakPolarHBondContact O-CB 3.17Å; S216-H220 PolarHBondContact O-N 3.16Å; S216-H220 PolarHBondContact O-ND1 2.91Å; S216-H220 VanDerWaalsContact O-ND1 3.13Å
217	L	93.9	Very high	95.4	Very high	42 Å²	42	61.7 Å²	61.7	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-56.2	178.2	175.4	67.7	0	0	0	111.9	S215 L221 N242	S215-L217 PolarHBondContact O-N 3.35Å; L217-L221 HydrophobicContact CD1-CD1 3.72Å; L217-L221 HydrophobicContact CD1-CG 4.22Å; L217-L221 HydrophobicContact CG-CD1 4.07Å; L217-L221 WeakPolarHBondContact O-CB 3.38Å; L217-L221 VanDerWaalsContact O-CG 3.28Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 2.67Å; L217-N242 HydrophobicContact CD1-CB 4.05Å; L217-N242 HydrophobicContact CD2-CB 4.14Å; L217-N242 WeakPolarHBondContact CD2-O 3.32Å
218	V	95.2	Very high	95.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-41.8	-175	176.6	0	0	0	0	110.2	F209 V210 E213 S215 L221 R222 V239	F209-V218 HydrophobicContact CD1-CG2 4.34Å; F209-V218 HydrophobicContact CE1-CG2 3.73Å; F209-V218 HydrophobicContact CZ-CG2 4Å; V210-V218 WeakPolarHBondContact O-CG1 3.25Å; E213-V218 HydrophobicContact CB-CG2 4.15Å; E213-V218 HydrophobicContact CG-CG2 4.16Å; S215-V218 PolarHBondContact O-N 3.44Å; V218-L221 PolarHBondContact O-N 2.68Å; V218-R222 HydrophobicContact CG1-CG 4.38Å; V218-R222 WeakPolarHBondContact O-CB 3.29Å; V218-R222 VanDerWaalsContact O-CG 3.27Å; V218-R222 WeakPolarHBondContact O-CG 3.48Å; V218-R222 PolarHBondContact O-N 3.17Å; V218-V239 HydrophobicContact CG2-CG1 4.28Å
219	S	95	Very high	95.3	Very high	55 Å²	55	56.4 Å²	56.4	39%	0.385	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-47.4	177.9	-61.2	0	0	0	0	112.4	S215 R222 E223	S215-S219 PolarHBondContact O-N 3.2Å; S215-S219 PolarHBondContact O-OG 2.88Å; S219-R222 PolarHBondContact O-N 2.9Å; S219-E223 PolarHBondContact O-N 2.71Å; S219-E223 VanDerWaalsContact O-N 3.13Å
220	H	95.6	Very high	95.2	Very high	135 Å²	135	56.7 Å²	56.7	63%	0.625	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-40.2	177.4	-68	152.8	0	0	0	112.6	S216 E223 W224	S216-H220 VanDerWaalsContact O-CB 3.27Å; S216-H220 WeakPolarHBondContact O-CB 3.17Å; S216-H220 PolarHBondContact O-N 3.16Å; S216-H220 PolarHBondContact O-ND1 2.91Å; S216-H220 VanDerWaalsContact O-ND1 3.13Å; H220-E223 PolarHBondContact O-N 3.49Å; H220-W224 WeakPolarHBondContact O-CB 3.41Å; H220-W224 PolarHBondContact O-N 2.93Å
221	L	96.8	Very high	95.2	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-42.2	176.9	-71.8	177.3	0	0	0	111.1	V191 L217 V218 E223 W224 F225 F235 T238 V239	V191-L221 HydrophobicContact CG1-CD2 3.99Å; L217-L221 HydrophobicContact CD1-CD1 3.72Å; L217-L221 HydrophobicContact CD1-CG 4.22Å; L217-L221 HydrophobicContact CG-CD1 4.07Å; L217-L221 WeakPolarHBondContact O-CB 3.38Å; L217-L221 VanDerWaalsContact O-CG 3.28Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 2.67Å; V218-L221 PolarHBondContact O-N 2.68Å; L221-E223 PolarHBondContact O-N 3.37Å; L221-W224 PolarHBondContact O-N 2.88Å; L221-F225 HydrophobicContact CB-CD2 4.37Å; L221-F225 HydrophobicContact CD2-CE2 4.26Å; L221-F225 WeakPolarHBondContact O-CB 3.5Å; L221-F225 WeakPolarHBondContact O-CD2 3.37Å; L221-F225 PolarHBondContact O-N 3.32Å; L221-F235 HydrophobicContact CB-CE2 4.27Å; L221-T238 HydrophobicContact CD1-CG2 4.27Å; L221-T238 HydrophobicContact CD2-CG2 4.06Å; L221-V239 HydrophobicContact CB-CG2 4.35Å; L221-V239 HydrophobicContact CD1-CB 4.38Å; L221-V239 HydrophobicContact CD1-CG2 3.63Å
222	R	96.1	Very high	95.2	Very high	74 Å²	74	56 Å²	56	28%	0.279	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-49.3	175.2	-77.8	172.2	173.5	-174.5	-5.2	112.1	L108 V210 V211 V218 S219 W224 F225 R226 F235	L108-R222 HydrophobicContact CD1-CG 4.24Å; V210-R222 PolarHBondContact O-NH2 3.46Å; V211-R222 PolarHBondContact O-NH2 2.87Å; V218-R222 HydrophobicContact CG1-CG 4.38Å; V218-R222 WeakPolarHBondContact O-CB 3.29Å; V218-R222 VanDerWaalsContact O-CG 3.27Å; V218-R222 WeakPolarHBondContact O-CG 3.48Å; V218-R222 PolarHBondContact O-N 3.17Å; S219-R222 PolarHBondContact O-N 2.9Å; R222-W224 VanDerWaalsContact C-N 3.34Å; R222-W224 PolarHBondContact O-N 2.62Å; R222-F225 PolarHBondContact O-N 3.49Å; R222-R226 PolarHBondContact O-N 3.43Å; R222-F235 HydrophobicContact CG-CE2 3.86Å; R222-F235 HydrophobicContact CG-CZ 3.89Å
223	E	95.8	Very high	95.3	Very high	95 Å²	95	52.2 Å²	52.2	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-40.7	179.5	-174.5	59.8	-163.3	0	0	111.7	S219 H220 L221 R226 Y227	S219-E223 PolarHBondContact O-N 2.71Å; S219-E223 VanDerWaalsContact O-N 3.13Å; H220-E223 PolarHBondContact O-N 3.49Å; L221-E223 PolarHBondContact O-N 3.37Å; E223-R226 VanDerWaalsContact O-CB 3.32Å; E223-R226 WeakPolarHBondContact O-CB 3.31Å; E223-R226 PolarHBondContact O-N 3.08Å; E223-R226 IonicContact OE2-NH1 3.26Å; E223-Y227 WeakPolarHBondContact O-CD2 3.34Å; E223-Y227 WeakPolarHBondContact OE1-CE2 3.3Å
224	W	97	Very high	95.6	Very high	38 Å²	38	49 Å²	49	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-40.9	176.9	-169.5	90.7	0	0	0	112.5	L168 R185 M187 P188 F193 H220 L221 R222 R226 Y227 T228	L168-W224 HydrophobicContact CB-CH2 4.17Å; L168-W224 HydrophobicContact CD2-CH2 4.24Å; L168-W224 HydrophobicContact CD2-CZ3 4.28Å; L168-W224 WeakPolarHBondContact O-CH2 3.32Å; L168-W224 WeakPolarHBondContact O-CZ2 3.38Å; R185-W224 VanDerWaalsContact CZ-CE2 3.41Å; R185-W224 PolarHBondContact NH1-O 3.04Å; R185-W224 VanDerWaalsContact NH2-CZ3 3.26Å; M187-W224 HydrophobicContact CE-CH2 4.1Å; M187-W224 HydrophobicContact CE-CZ2 4.21Å; M187-W224 HydrophobicContact SD-CH2 4.21Å; M187-W224 HydrophobicContact SD-CZ2 3.92Å; P188-W224 HydrophobicContact CG-CD2 4.2Å; P188-W224 HydrophobicContact CG-CG 4.06Å; P188-W224 HydrophobicContact CG-CZ2 4.42Å; F193-W224 HydrophobicContact CE1-CE3 4.28Å; F193-W224 AromaticContact CE1-CH2 3.59Å; F193-W224 HydrophobicContact CE1-CH2 3.59Å; F193-W224 HydrophobicContact CE1-CZ2 4.26Å; F193-W224 AromaticContact CE1-CZ3 3.62Å; F193-W224 HydrophobicContact CE1-CZ3 3.62Å; F193-W224 HydrophobicContact CZ-CE3 4.45Å; F193-W224 AromaticContact CZ-CH2 3.87Å; F193-W224 HydrophobicContact CZ-CH2 3.87Å; F193-W224 HydrophobicContact CZ-CZ2 4.07Å; F193-W224 HydrophobicContact CZ-CZ3 4.1Å; H220-W224 WeakPolarHBondContact O-CB 3.41Å; H220-W224 PolarHBondContact O-N 2.93Å; L221-W224 PolarHBondContact O-N 2.88Å; R222-W224 VanDerWaalsContact C-N 3.34Å; R222-W224 PolarHBondContact O-N 2.62Å; W224-R226 VanDerWaalsContact C-N 3.32Å; W224-R226 PolarHBondContact O-N 2.86Å; W224-Y227 PolarHBondContact O-N 3.3Å; W224-T228 HydrophobicContact CZ3-CG2 4.23Å; W224-T228 PolarHBondContact O-OG1 3.37Å
225	F	97.6	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74	-19.5	179.8	-84.9	-76.2	0	0	0	113.8	L104 L168 F193 L221 R222 Y227 T228 P231 S234 F235 T238	L104-F225 HydrophobicContact CD2-CB 3.76Å; L168-F225 HydrophobicContact CD2-CE1 4.45Å; F193-F225 HydrophobicContact CE1-CE2 4.4Å; F193-F225 HydrophobicContact CE1-CZ 4.09Å; L221-F225 HydrophobicContact CB-CD2 4.37Å; L221-F225 HydrophobicContact CD2-CE2 4.26Å; L221-F225 WeakPolarHBondContact O-CB 3.5Å; L221-F225 WeakPolarHBondContact O-CD2 3.37Å; L221-F225 PolarHBondContact O-N 3.32Å; R222-F225 PolarHBondContact O-N 3.49Å; F225-Y227 PolarHBondContact O-N 3.39Å; F225-T228 WeakPolarHBondContact CA-OG1 3.29Å; F225-T228 HydrophobicContact CD1-CG2 3.92Å; F225-T228 HydrophobicContact CE1-CG2 4.16Å; F225-T228 WeakPolarHBondContact O-CB 3.42Å; F225-T228 PolarHBondContact O-N 3.05Å; F225-P231 HydrophobicContact CB-CB 4.21Å; F225-P231 HydrophobicContact CD1-CB 3.77Å; F225-P231 HydrophobicContact CG-CB 4.46Å; F225-S234 WeakPolarHBondContact CE1-OG 3.39Å; F225-F235 HydrophobicContact CB-CD2 3.86Å; F225-F235 HydrophobicContact CD1-CB 4Å; F225-F235 HydrophobicContact CD2-CB 4.13Å; F225-F235 AromaticContact CD2-CD2 3.47Å; F225-F235 HydrophobicContact CD2-CD2 3.47Å; F225-F235 VanDerWaalsContact CD2-CD2 3.47Å; F225-F235 HydrophobicContact CD2-CE2 4.38Å; F225-F235 HydrophobicContact CD2-CG 4.28Å; F225-F235 HydrophobicContact CE1-CB 4.21Å; F225-F235 HydrophobicContact CE2-CB 4.3Å; F225-F235 HydrophobicContact CE2-CD2 4.14Å; F225-F235 HydrophobicContact CG-CB 3.95Å; F225-F235 AromaticContact CG-CD2 3.71Å; F225-F235 HydrophobicContact CG-CD2 3.71Å; F225-F235 HydrophobicContact CG-CG 4.32Å; F225-F235 HydrophobicContact CZ-CB 4.34Å; F225-T238 HydrophobicContact CE2-CG2 4.46Å
226	R	96.3	Very high	96.5	Very high	132 Å²	132	38 Å²	38	50%	0.498	18%	0.182	S	C	.	.	H	α-helix	trans	-56.1	-34.4	171.4	-173.6	178	178.1	170.1	0.1	113.1	S101 R222 E223 W224	S101-R226 WeakPolarHBondContact CB-O 3.43Å; S101-R226 PolarHBondContact OG-O 3.44Å; R222-R226 PolarHBondContact O-N 3.43Å; E223-R226 VanDerWaalsContact O-CB 3.32Å; E223-R226 WeakPolarHBondContact O-CB 3.31Å; E223-R226 PolarHBondContact O-N 3.08Å; E223-R226 IonicContact OE2-NH1 3.26Å; W224-R226 VanDerWaalsContact C-N 3.32Å; W224-R226 PolarHBondContact O-N 2.86Å
227	Y	97.5	Very high	96.9	Very high	78 Å²	78	34 Å²	34	31%	0.306	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	34.3	-178.9	-54.5	-76.4	0	0	0	113.3	L171 F172 V173 R185 E223 W224 F225	L171-Y227 VanDerWaalsContact CD1-CB 3.47Å; L171-Y227 HydrophobicContact CD1-CG 4.15Å; F172-Y227 PolarHBondContact N-O 3.09Å; F172-Y227 CarbonylContact O-C 3.51Å; F172-Y227 VanDerWaalsContact O-C 3.25Å; F172-Y227 WeakPolarHBondContact O-CA 3.48Å; F172-Y227 WeakPolarHBondContact O-CB 3.49Å; V173-Y227 HydrophobicContact CG2-CD1 3.95Å; V173-Y227 HydrophobicContact CG2-CE1 4.39Å; R185-Y227 PolarHBondContact NH1-O 3.35Å; E223-Y227 WeakPolarHBondContact O-CD2 3.34Å; E223-Y227 WeakPolarHBondContact OE1-CE2 3.3Å; W224-Y227 PolarHBondContact O-N 3.3Å; F225-Y227 PolarHBondContact O-N 3.39Å
228	T	97.8	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.			trans	-121.5	139.6	-173.7	-57.3	0	0	0	0	110.6	L168 R185 W224 F225 P231	L168-T228 HydrophobicContact CD2-CG2 3.45Å; L168-T228 VanDerWaalsContact CD2-CG2 3.45Å; R185-T228 PolarHBondContact NH1-OG1 3.08Å; R185-T228 VanDerWaalsContact NH1-OG1 3.08Å; R185-T228 PolarHBondContact NH2-OG1 2.78Å; W224-T228 HydrophobicContact CZ3-CG2 4.23Å; W224-T228 PolarHBondContact O-OG1 3.37Å; F225-T228 WeakPolarHBondContact CA-OG1 3.29Å; F225-T228 HydrophobicContact CD1-CG2 3.92Å; F225-T228 HydrophobicContact CE1-CG2 4.16Å; F225-T228 WeakPolarHBondContact O-CB 3.42Å; F225-T228 PolarHBondContact O-N 3.05Å; T228-P231 HydrophobicContact CG2-CB 4.46Å; T228-P231 WeakPolarHBondContact O-CD 3.44Å
229	L	96.6	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-72.1	138.8	168.1	173.4	64.3	0	0	0	110.5	G99 F172 V272 W274	G99-L229 WeakPolarHBondContact O-CD1 3.38Å; F172-L229 HydrophobicContact CD1-CB 4.22Å; F172-L229 HydrophobicContact CD2-CB 3.54Å; F172-L229 HydrophobicContact CE1-CB 4.18Å; F172-L229 HydrophobicContact CE1-CD2 4.09Å; F172-L229 HydrophobicContact CE2-CB 3.47Å; F172-L229 VanDerWaalsContact CE2-CB 3.47Å; F172-L229 HydrophobicContact CE2-CD2 4.09Å; F172-L229 HydrophobicContact CE2-CG 4.41Å; F172-L229 HydrophobicContact CG-CB 3.91Å; F172-L229 HydrophobicContact CZ-CB 3.82Å; F172-L229 HydrophobicContact CZ-CD2 3.66Å; F172-L229 HydrophobicContact CZ-CG 4.33Å; L229-V272 HydrophobicContact CD1-CG1 3.45Å; L229-V272 VanDerWaalsContact CD1-CG1 3.45Å; L229-V272 HydrophobicContact CD1-CG2 4.48Å; L229-V272 HydrophobicContact CD2-CG1 4.16Å; L229-V272 HydrophobicContact CG-CG1 4.47Å; L229-W274 HydrophobicContact CD2-CB 3.51Å; L229-W274 HydrophobicContact CD2-CD2 4.22Å; L229-W274 HydrophobicContact CD2-CG 3.47Å; L229-W274 VanDerWaalsContact CD2-CG 3.47Å
230	L	96.2	Very high	97.3	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.126	13%	0.125	C	C	.	.	S	Bend	trans	50.7	47.9	178.1	-64.8	162.6	0	0	0	112.8	W98 G99 Q166 A232 E233	W98-L230 HydrophobicContact CH2-CD1 4.11Å; W98-L230 HydrophobicContact CH2-CD2 4.18Å; W98-L230 HydrophobicContact CH2-CG 4.42Å; W98-L230 HydrophobicContact CZ2-CD1 4.42Å; W98-L230 HydrophobicContact CZ2-CD2 4.02Å; G99-L230 PolarHBondContact O-N 3.28Å; G99-L230 VanDerWaalsContact O-N 3.1Å; Q166-L230 VanDerWaalsContact OE1-CD1 3.3Å; L230-A232 VanDerWaalsContact C-N 3.26Å; L230-A232 PolarHBondContact O-N 3.27Å; L230-E233 HydrophobicContact CB-CB 4.44Å; L230-E233 HydrophobicContact CB-CG 4.34Å; L230-E233 WeakPolarHBondContact O-CB 3.39Å; L230-E233 PolarHBondContact O-N 2.85Å
231	P	97.6	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-64	-31.7	-168.5	25.6	-32.7	0	0	0	112.9	L104 F225 T228 E233 S234 F235	L104-P231 HydrophobicContact CB-CB 4.18Å; L104-P231 HydrophobicContact CB-CG 3.79Å; L104-P231 HydrophobicContact CD2-CB 3.97Å; L104-P231 HydrophobicContact CD2-CG 4.45Å; F225-P231 HydrophobicContact CB-CB 4.21Å; F225-P231 HydrophobicContact CD1-CB 3.77Å; F225-P231 HydrophobicContact CG-CB 4.46Å; T228-P231 HydrophobicContact CG2-CB 4.46Å; T228-P231 WeakPolarHBondContact O-CD 3.44Å; P231-E233 PolarHBondContact O-N 3.15Å; P231-S234 PolarHBondContact O-N 3.1Å; P231-S234 VanDerWaalsContact O-N 3.09Å; P231-F235 VanDerWaalsContact O-CB 3.22Å; P231-F235 WeakPolarHBondContact O-CB 3.48Å; P231-F235 PolarHBondContact O-N 2.84Å
232	A	97.5	Very high	97.4	Very high	1 Å²	1	26 Å²	26	1%	0.008	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.1	177.3	0	0	0	0	0	113.6	L103 F107 D198 L230 S234	L103-A232 HydrophobicContact CD2-CB 4.14Å; L103-A232 HydrophobicContact CG-CB 4.46Å; F107-A232 HydrophobicContact CD2-CB 4Å; F107-A232 HydrophobicContact CE2-CB 3.72Å; D198-A232 HydrophobicContact CB-CB 4Å; L230-A232 VanDerWaalsContact C-N 3.26Å; L230-A232 PolarHBondContact O-N 3.27Å; A232-S234 PolarHBondContact O-N 3.37Å
233	E	98.1	Very high	97.4	Very high	31 Å²	31	23.1 Å²	23.1	15%	0.145	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-73.5	-7.5	177.7	-70.6	-163.9	178.9	0	0	113.1	Q166 G195 G196 D198 L230 P231 H237	Q166-E233 PolarHBondContact NE2-OE2 2.9Å; G195-E233 CarbonylContact C-O 3.57Å; G195-E233 WeakPolarHBondContact CA-O 3.27Å; G196-E233 PolarHBondContact N-O 2.66Å; G196-E233 VanDerWaalsContact O-CB 3.25Å; G196-E233 WeakPolarHBondContact O-CB 3.41Å; G196-E233 WeakPolarHBondContact O-CG 3.45Å; D198-E233 HydrophobicContact CB-CG 3.87Å; L230-E233 HydrophobicContact CB-CB 4.44Å; L230-E233 HydrophobicContact CB-CG 4.34Å; L230-E233 WeakPolarHBondContact O-CB 3.39Å; L230-E233 PolarHBondContact O-N 2.85Å; P231-E233 PolarHBondContact O-N 3.15Å; E233-H237 PolarHBondContact O-CE1 2.82Å; E233-H237 VanDerWaalsContact O-CE1 3.27Å; E233-H237 PolarHBondContact O-ND1 3.03Å
234	S	98.2	Very high	97.5	Very high	2 Å²	2	27 Å²	27	1%	0.014	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.6	-18.5	-178.4	49.3	0	0	0	0	116	Q194 F225 P231 A232 T238	Q194-S234 WeakPolarHBondContact O-CA 3.4Å; Q194-S234 WeakPolarHBondContact O-CB 3.26Å; F225-S234 WeakPolarHBondContact CE1-OG 3.39Å; P231-S234 PolarHBondContact O-N 3.1Å; P231-S234 VanDerWaalsContact O-N 3.09Å; A232-S234 PolarHBondContact O-N 3.37Å; S234-T238 VanDerWaalsContact O-CB 3.23Å; S234-T238 WeakPolarHBondContact O-CB 3.34Å; S234-T238 PolarHBondContact O-N 2.7Å; S234-T238 PolarHBondContact O-OG1 2.9Å
235	F	98.4	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.1	-60	177.7	173.6	-97	0	0	0	112.1	L104 L108 V210 L221 R222 F225 P231 H237 T238 V239	L104-F235 HydrophobicContact CD1-CB 4.13Å; L104-F235 HydrophobicContact CD1-CD1 3.41Å; L104-F235 VanDerWaalsContact CD1-CD1 3.41Å; L104-F235 HydrophobicContact CD1-CE1 3.9Å; L104-F235 HydrophobicContact CD1-CG 3.77Å; L104-F235 HydrophobicContact CD2-CB 3.91Å; L104-F235 HydrophobicContact CD2-CD1 4.12Å; L104-F235 HydrophobicContact CD2-CD2 3.73Å; L104-F235 HydrophobicContact CD2-CE2 4.29Å; L104-F235 HydrophobicContact CD2-CG 3.64Å; L104-F235 HydrophobicContact CG-CD1 4.42Å; L104-F235 HydrophobicContact CG-CG 4.39Å; L108-F235 HydrophobicContact CD2-CE1 3.94Å; L108-F235 HydrophobicContact CD2-CZ 4.28Å; V210-F235 HydrophobicContact CG1-CE1 3.57Å; V210-F235 HydrophobicContact CG1-CZ 4.08Å; L221-F235 HydrophobicContact CB-CE2 4.27Å; R222-F235 HydrophobicContact CG-CE2 3.86Å; R222-F235 HydrophobicContact CG-CZ 3.89Å; F225-F235 HydrophobicContact CB-CD2 3.86Å; F225-F235 HydrophobicContact CD1-CB 4Å; F225-F235 HydrophobicContact CD2-CB 4.13Å; F225-F235 AromaticContact CD2-CD2 3.47Å; F225-F235 HydrophobicContact CD2-CD2 3.47Å; F225-F235 VanDerWaalsContact CD2-CD2 3.47Å; F225-F235 HydrophobicContact CD2-CE2 4.38Å; F225-F235 HydrophobicContact CD2-CG 4.28Å; F225-F235 HydrophobicContact CE1-CB 4.21Å; F225-F235 HydrophobicContact CE2-CB 4.3Å; F225-F235 HydrophobicContact CE2-CD2 4.14Å; F225-F235 HydrophobicContact CG-CB 3.95Å; F225-F235 AromaticContact CG-CD2 3.71Å; F225-F235 HydrophobicContact CG-CD2 3.71Å; F225-F235 HydrophobicContact CG-CG 4.32Å; F225-F235 HydrophobicContact CZ-CB 4.34Å; P231-F235 VanDerWaalsContact O-CB 3.22Å; P231-F235 WeakPolarHBondContact O-CB 3.48Å; P231-F235 PolarHBondContact O-N 2.84Å; F235-H237 VanDerWaalsContact C-N 3.28Å; F235-H237 PolarHBondContact O-N 3.03Å; F235-T238 PolarHBondContact O-N 2.99Å; F235-T238 VanDerWaalsContact O-N 3.15Å; F235-V239 HydrophobicContact CD1-CG2 4.48Å; F235-V239 HydrophobicContact CD2-CG2 4.21Å; F235-V239 HydrophobicContact CE1-CG2 4.15Å; F235-V239 HydrophobicContact CE2-CG2 3.85Å; F235-V239 HydrophobicContact CZ-CG2 3.82Å; F235-V239 WeakPolarHBondContact O-CG2 3.41Å; F235-V239 PolarHBondContact O-N 2.78Å
236	F	98.4	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-38.9	-177.4	-62.8	-72.9	0	0	0	112.1	L104 F107 M111 L153 F200 L202 F206 V210 L240	L104-F236 HydrophobicContact CD1-CE2 4.06Å; L104-F236 HydrophobicContact CD1-CZ 3.97Å; F107-F236 HydrophobicContact CB-CE2 4.47Å; F107-F236 HydrophobicContact CB-CZ 4Å; F107-F236 HydrophobicContact CD2-CE2 4.1Å; F107-F236 HydrophobicContact CD2-CZ 4.46Å; F107-F236 HydrophobicContact CG-CZ 4.46Å; M111-F236 HydrophobicContact CE-CE1 3.75Å; M111-F236 HydrophobicContact CE-CZ 3.65Å; M111-F236 HydrophobicContact SD-CE1 3.86Å; M111-F236 HydrophobicContact SD-CZ 4.12Å; L153-F236 HydrophobicContact CD1-CB 4.38Å; L153-F236 HydrophobicContact CD2-CB 4.37Å; F200-F236 HydrophobicContact CD1-CD2 4.2Å; F200-F236 AromaticContact CE1-CD2 3.68Å; F200-F236 HydrophobicContact CE1-CD2 3.68Å; F200-F236 AromaticContact CE1-CE2 3.62Å; F200-F236 HydrophobicContact CE1-CE2 3.62Å; F200-F236 HydrophobicContact CE1-CG 4.48Å; F200-F236 HydrophobicContact CE1-CZ 4.37Å; F200-F236 HydrophobicContact CZ-CD2 4.33Å; F200-F236 AromaticContact CZ-CE2 3.96Å; F200-F236 HydrophobicContact CZ-CE2 3.96Å; F200-F236 HydrophobicContact CZ-CZ 4.27Å; L202-F236 HydrophobicContact CD1-CD1 3.9Å; L202-F236 HydrophobicContact CD1-CE1 4.33Å; L202-F236 HydrophobicContact CD1-CG 4.26Å; F206-F236 WeakPolarHBondContact CZ-O 3.39Å; V210-F236 HydrophobicContact CG1-CD1 4.19Å; V210-F236 HydrophobicContact CG1-CE1 3.96Å; F236-L240 VanDerWaalsContact O-CB 3.23Å; F236-L240 WeakPolarHBondContact O-CB 3.08Å; F236-L240 PolarHBondContact O-N 3.48Å
237	H	98.5	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-48.9	175.4	-54.9	84.7	0	0	0	111.6	S154 Q194 S197 E233 F235 L240 Q241	S154-H237 PolarHBondContact O-CD2 3.32Å; S154-H237 VanDerWaalsContact O-CD2 3.27Å; S154-H237 PolarHBondContact O-NE2 3.22Å; Q194-H237 HydrophobicContact CB-CB 3.95Å; Q194-H237 HydrophobicContact CG-CB 3.95Å; Q194-H237 WeakPolarHBondContact O-CB 3.3Å; S197-H237 PolarHBondContact O-CE1 3.49Å; S197-H237 VanDerWaalsContact O-CE1 3.24Å; E233-H237 PolarHBondContact O-CE1 2.82Å; E233-H237 VanDerWaalsContact O-CE1 3.27Å; E233-H237 PolarHBondContact O-ND1 3.03Å; F235-H237 VanDerWaalsContact C-N 3.28Å; F235-H237 PolarHBondContact O-N 3.03Å; H237-L240 PolarHBondContact O-N 3.32Å; H237-Q241 VanDerWaalsContact O-CG 3.27Å; H237-Q241 WeakPolarHBondContact O-CG 3.42Å; H237-Q241 PolarHBondContact O-N 3.25Å
238	T	98.1	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.1	-43.8	-178.1	-59.4	0	0	0	0	110.9	V191 F193 Q194 L221 F225 S234 F235 L240 Q241 N242	V191-T238 HydrophobicContact CG1-CG2 3.52Å; F193-T238 HydrophobicContact CD1-CG2 4.17Å; F193-T238 HydrophobicContact CE1-CG2 4.3Å; F193-T238 HydrophobicContact CG-CG2 4.47Å; Q194-T238 PolarHBondContact N-OG1 3.27Å; Q194-T238 PolarHBondContact O-OG1 2.9Å; L221-T238 HydrophobicContact CD1-CG2 4.27Å; L221-T238 HydrophobicContact CD2-CG2 4.06Å; F225-T238 HydrophobicContact CE2-CG2 4.46Å; S234-T238 VanDerWaalsContact O-CB 3.23Å; S234-T238 WeakPolarHBondContact O-CB 3.34Å; S234-T238 PolarHBondContact O-N 2.7Å; S234-T238 PolarHBondContact O-OG1 2.9Å; F235-T238 PolarHBondContact O-N 2.99Å; F235-T238 VanDerWaalsContact O-N 3.15Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-L240 PolarHBondContact O-N 2.94Å; T238-Q241 PolarHBondContact O-N 3.16Å; T238-N242 PolarHBondContact O-N 2.85Å; T238-N242 PolarHBondContact O-ND2 3.44Å
239	V	98	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-43.6	175.1	179.1	0	0	0	0	110.8	F206 F209 V210 V218 L221 F235 Q241 N242 S243	F206-V239 HydrophobicContact CE2-CG1 4.1Å; F206-V239 HydrophobicContact CZ-CB 4.37Å; F206-V239 HydrophobicContact CZ-CG1 4.32Å; F209-V239 HydrophobicContact CD1-CG1 4.24Å; F209-V239 HydrophobicContact CE1-CG1 3.87Å; V210-V239 HydrophobicContact CG2-CG1 3.9Å; V218-V239 HydrophobicContact CG2-CG1 4.28Å; L221-V239 HydrophobicContact CB-CG2 4.35Å; L221-V239 HydrophobicContact CD1-CB 4.38Å; L221-V239 HydrophobicContact CD1-CG2 3.63Å; F235-V239 HydrophobicContact CD1-CG2 4.48Å; F235-V239 HydrophobicContact CD2-CG2 4.21Å; F235-V239 HydrophobicContact CE1-CG2 4.15Å; F235-V239 HydrophobicContact CE2-CG2 3.85Å; F235-V239 HydrophobicContact CZ-CG2 3.82Å; F235-V239 WeakPolarHBondContact O-CG2 3.41Å; F235-V239 PolarHBondContact O-N 2.78Å; V239-Q241 PolarHBondContact O-N 3.16Å; V239-N242 PolarHBondContact O-N 3.17Å; V239-S243 WeakPolarHBondContact O-CB 3.1Å; V239-S243 PolarHBondContact O-N 3.14Å; V239-S243 VanDerWaalsContact O-N 3.16Å; V239-S243 PolarHBondContact O-OG 2.78Å; V239-S243 VanDerWaalsContact O-OG 3.06Å
240	L	97.7	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-49	179.6	-172.8	68.5	0	0	0	111.7	N151 L153 F206 F236 H237 T238 N242 S243 F245 C246 S249	N151-L240 HydrophobicContact CB-CD1 4.17Å; N151-L240 HydrophobicContact CB-CD2 3.82Å; L153-L240 HydrophobicContact CD1-CD2 3.74Å; F206-L240 HydrophobicContact CD1-CD1 4.26Å; F206-L240 HydrophobicContact CD2-CD1 3.67Å; F206-L240 HydrophobicContact CE1-CB 4.35Å; F206-L240 HydrophobicContact CE1-CD1 4.19Å; F206-L240 HydrophobicContact CE2-CB 3.89Å; F206-L240 HydrophobicContact CE2-CD1 3.59Å; F206-L240 HydrophobicContact CE2-CG 4.37Å; F206-L240 HydrophobicContact CG-CD1 4.01Å; F206-L240 HydrophobicContact CZ-CB 3.64Å; F206-L240 HydrophobicContact CZ-CD1 3.87Å; F206-L240 HydrophobicContact CZ-CG 4.34Å; F236-L240 VanDerWaalsContact O-CB 3.23Å; F236-L240 WeakPolarHBondContact O-CB 3.08Å; F236-L240 PolarHBondContact O-N 3.48Å; H237-L240 PolarHBondContact O-N 3.32Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-L240 PolarHBondContact O-N 2.94Å; L240-N242 PolarHBondContact O-N 3.45Å; L240-S243 PolarHBondContact O-N 2.91Å; L240-S243 PolarHBondContact O-OG 2.82Å; L240-S243 VanDerWaalsContact O-OG 3.11Å; L240-F245 HydrophobicContact CD1-CB 3.46Å; L240-F245 VanDerWaalsContact CD1-CB 3.46Å; L240-F245 WeakPolarHBondContact CD1-O 3.33Å; L240-C246 VanDerWaalsContact O-CA 3.31Å; L240-C246 WeakPolarHBondContact O-CA 3.26Å; L240-C246 PolarHBondContact O-N 3.35Å; L240-S249 WeakPolarHBondContact CD2-OG 3.37Å
241	Q	97.1	Very high	97.4	Very high	28 Å²	28	29.8 Å²	29.8	13%	0.131	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-23.6	-178	-69.7	-64.4	-40.5	0	0	114	Q194 H237 T238 V239 S249	Q194-Q241 HydrophobicContact CB-CG 3.94Å; Q194-Q241 HydrophobicContact CG-CG 4.39Å; H237-Q241 VanDerWaalsContact O-CG 3.27Å; H237-Q241 WeakPolarHBondContact O-CG 3.42Å; H237-Q241 PolarHBondContact O-N 3.25Å; T238-Q241 PolarHBondContact O-N 3.16Å; V239-Q241 PolarHBondContact O-N 3.16Å; Q241-S249 PolarHBondContact NE2-OG 2.88Å
242	N	97.2	Very high	97.3	Very high	44 Å²	44	33.1 Å²	33.1	24%	0.235	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	10.6	-178	-63.7	-86.1	0	0	0	113.3	R192 L217 T238 V239 L240	R192-N242 PolarHBondContact N-ND2 3.11Å; R192-N242 PolarHBondContact N-OD1 2.99Å; R192-N242 PolarHBondContact O-ND2 3.02Å; L217-N242 HydrophobicContact CD1-CB 4.05Å; L217-N242 HydrophobicContact CD2-CB 4.14Å; L217-N242 WeakPolarHBondContact CD2-O 3.32Å; T238-N242 PolarHBondContact O-N 2.85Å; T238-N242 PolarHBondContact O-ND2 3.44Å; V239-N242 PolarHBondContact O-N 3.17Å; L240-N242 PolarHBondContact O-N 3.45Å
243	S	96.8	Very high	97.3	Very high	13 Å²	13	33.7 Å²	33.7	9%	0.091	19%	0.192	C	C	.	.	S	Bend	trans	-116.6	176.5	-179.2	69.4	0	0	0	0	112	V239 L240 F245 C246	V239-S243 WeakPolarHBondContact O-CB 3.1Å; V239-S243 PolarHBondContact O-N 3.14Å; V239-S243 VanDerWaalsContact O-N 3.16Å; V239-S243 PolarHBondContact O-OG 2.78Å; V239-S243 VanDerWaalsContact O-OG 3.06Å; L240-S243 PolarHBondContact O-N 2.91Å; L240-S243 PolarHBondContact O-OG 2.82Å; L240-S243 VanDerWaalsContact O-OG 3.11Å; S243-F245 PolarHBondContact O-N 2.77Å; S243-F245 PolarHBondContact OG-N 3.14Å; S243-C246 PolarHBondContact O-N 2.81Å; S243-C246 VanDerWaalsContact O-N 3.13Å
244	R	96.1	Very high	97.2	Very high	177 Å²	177	32.2 Å²	32.2	67%	0.668	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-8.5	171.9	68.9	-179	178.5	91.7	-6.4	114.7
245	F	97.3	Very high	97.2	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.053	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.3	179.9	-62.1	-86.7	0	0	0	113.4	D205 F206 F209 L240 S243 A247 T248	D205-F245 HydrophobicContact CB-CE1 3.81Å; D205-F245 HydrophobicContact CB-CZ 4.03Å; D205-F245 WeakPolarHBondContact O-CZ 3.48Å; F206-F245 HydrophobicContact CB-CD1 4.14Å; F206-F245 HydrophobicContact CB-CE1 4.23Å; F206-F245 HydrophobicContact CB-CG 4.3Å; F206-F245 HydrophobicContact CB-CZ 4.49Å; F206-F245 HydrophobicContact CD2-CB 3.97Å; F206-F245 AromaticContact CD2-CD2 3.75Å; F206-F245 HydrophobicContact CD2-CD2 3.75Å; F206-F245 HydrophobicContact CD2-CE2 4.33Å; F206-F245 AromaticContact CD2-CG 3.84Å; F206-F245 HydrophobicContact CD2-CG 3.84Å; F209-F245 HydrophobicContact CB-CD2 4.33Å; F209-F245 HydrophobicContact CB-CE2 3.42Å; F209-F245 VanDerWaalsContact CB-CE2 3.42Å; F209-F245 HydrophobicContact CB-CZ 4Å; F209-F245 HydrophobicContact CD1-CD2 4.16Å; F209-F245 HydrophobicContact CD1-CE2 4Å; F209-F245 AromaticContact CD2-CE2 3.98Å; F209-F245 HydrophobicContact CD2-CE2 3.98Å; F209-F245 HydrophobicContact CG-CD2 4.16Å; F209-F245 AromaticContact CG-CE2 3.54Å; F209-F245 HydrophobicContact CG-CE2 3.54Å; L240-F245 HydrophobicContact CD1-CB 3.46Å; L240-F245 VanDerWaalsContact CD1-CB 3.46Å; L240-F245 WeakPolarHBondContact CD1-O 3.33Å; S243-F245 PolarHBondContact O-N 2.77Å; S243-F245 PolarHBondContact OG-N 3.14Å; F245-A247 PolarHBondContact O-N 3.24Å; F245-A247 VanDerWaalsContact O-N 3.12Å; F245-T248 PolarHBondContact O-N 2.9Å; F245-T248 PolarHBondContact O-OG1 3.16Å
246	C	96.7	Very high	97.1	Very high	63 Å²	63	33.2 Å²	33.2	43%	0.426	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-55.6	-33.6	-176.4	62.3	0	0	0	0	113.6	L240 S243 T248 S249	L240-C246 VanDerWaalsContact O-CA 3.31Å; L240-C246 WeakPolarHBondContact O-CA 3.26Å; L240-C246 PolarHBondContact O-N 3.35Å; S243-C246 PolarHBondContact O-N 2.81Å; S243-C246 VanDerWaalsContact O-N 3.13Å; C246-T248 VanDerWaalsContact C-N 3.32Å; C246-T248 PolarHBondContact O-N 2.89Å; C246-S249 WeakPolarHBondContact O-CB 3.25Å
247	A	97.1	Very high	97	Very high	98 Å²	98	34.2 Å²	34.2	81%	0.81	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-76	-12.8	177.8	0	0	0	0	0	114.3	F245 S249	F245-A247 PolarHBondContact O-N 3.24Å; F245-A247 VanDerWaalsContact O-N 3.12Å; A247-S249 VanDerWaalsContact C-N 3.34Å
248	T	97.8	Very high	96.9	Very high	38 Å²	38	34.6 Å²	34.6	23%	0.233	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-95	11.2	178.2	72.1	0	0	0	0	112.4	T150 N151 F245 C246	T150-T248 CarbonylContact C-O 3.5Å; T150-T248 VanDerWaalsContact CA-O 3.3Å; T150-T248 WeakPolarHBondContact CA-O 3.36Å; N151-T248 PolarHBondContact N-O 2.83Å; N151-T248 PolarHBondContact ND2-OG1 2.8Å; F245-T248 PolarHBondContact O-N 2.9Å; F245-T248 PolarHBondContact O-OG1 3.16Å; C246-T248 VanDerWaalsContact C-N 3.32Å; C246-T248 PolarHBondContact O-N 2.89Å
249	S	96.7	Very high	96.7	Very high	31 Å²	31	40.6 Å²	40.6	22%	0.217	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123	-178.1	-174.1	0	0	0	0	112.4	H155 L240 Q241 C246 A247	H155-S249 PolarHBondContact CE1-OG 2.76Å; H155-S249 PolarHBondContact NE2-OG 3.19Å; H155-S249 VanDerWaalsContact NE2-OG 3.13Å; L240-S249 WeakPolarHBondContact CD2-OG 3.37Å; Q241-S249 PolarHBondContact NE2-OG 2.88Å; C246-S249 WeakPolarHBondContact O-CB 3.25Å; A247-S249 VanDerWaalsContact C-N 3.34Å
250	S	96.5	Very high	96.5	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.6	168	172.6	0	0	0	0	109.9	T150 N151 L153 H252	T150-S250 VanDerWaalsContact CG2-CB 3.47Å; N151-S250 PolarHBondContact O-N 3.01Å; L153-S250 CarbonylContact C-O 3.56Å; L153-S250 PolarHBondContact N-O 3.12Å; L153-S250 CarbonylContact O-C 3.55Å; S250-H252 PolarHBondContact O-N 3.47Å; S250-H252 VanDerWaalsContact O-N 3.16Å
251	S	95.8	Very high	96	Very high	76 Å²	76	55.3 Å²	55.3	53%	0.531	28%	0.278	S	S	.	.	S	Bend	trans	-75.9	7.7	-178.4	61.3	0	0	0	0	114.7	L153 S154	L153-S251 CarbonylContact O-C 3.59Å; L153-S251 WeakPolarHBondContact O-CA 3.45Å; S154-S251 WeakPolarHBondContact CA-O 3.04Å
252	H	95.2	Very high	95.7	Very high	69 Å²	69	59.5 Å²	59.5	32%	0.319	31%	0.306	S	S	.	.			trans	-117.3	132.7	178.9	-167.1	-82.7	0	0	0	109.3	F152 S250 L254 L298	F152-H252 CarbonylContact C-O 3.55Å; F152-H252 WeakPolarHBondContact CA-O 3.49Å; F152-H252 WeakPolarHBondContact CB-O 3.45Å; F152-H252 WeakPolarHBondContact CD1-O 3.45Å; S250-H252 PolarHBondContact O-N 3.47Å; S250-H252 VanDerWaalsContact O-N 3.16Å; H252-L254 PolarHBondContact CE1-N 2.67Å; H252-L254 WeakPolarHBondContact ND1-CA 3.37Å; H252-L254 PolarHBondContact ND1-N 3.49Å; H252-L298 PolarHBondContact CE1-O 2.79Å
253	N	97.1	Very high	95.3	Very high	14 Å²	14	61.7 Å²	61.7	8%	0.075	32%	0.317	C	S	.	.			trans	-101.5	6	-176.8	68.7	-13.6	0	0	0	115.1	S197 W199 R255	S197-N253 VanDerWaalsContact CB-ND2 3.3Å; S197-N253 WeakPolarHBondContact CB-ND2 3.22Å; S197-N253 PolarHBondContact OG-ND2 2.89Å; W199-N253 VanDerWaalsContact O-CB 3.22Å; W199-N253 WeakPolarHBondContact O-CB 3.3Å; W199-N253 PolarHBondContact O-ND2 3.47Å; N253-R255 HydrophobicContact CB-CG 4.36Å; N253-R255 WeakPolarHBondContact ND2-CG 3.46Å; N253-R255 WeakPolarHBondContact O-CG 3.48Å; N253-R255 PolarHBondContact O-N 3.37Å; N253-R255 PolarHBondContact OD1-N 3.35Å
254	L	97.5	Very high	94.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	65.8	22.3	179.3	-49.4	176.5	0	0	0	114	L140 L143 F152 V201 H252 L298 S299 F300 F301	L140-L254 HydrophobicContact CD1-CD1 3.93Å; L143-L254 HydrophobicContact CD2-CD1 3.97Å; L143-L254 HydrophobicContact CD2-CD2 4.07Å; F152-L254 HydrophobicContact CB-CD1 4.46Å; F152-L254 HydrophobicContact CB-CG 4.34Å; F152-L254 HydrophobicContact CD1-CD1 4.1Å; F152-L254 HydrophobicContact CD1-CD2 4.04Å; F152-L254 HydrophobicContact CD1-CG 3.97Å; F152-L254 HydrophobicContact CD2-CD1 4.29Å; F152-L254 HydrophobicContact CE1-CD1 4.43Å; F152-L254 HydrophobicContact CE1-CD2 4.27Å; F152-L254 HydrophobicContact CG-CD1 4.02Å; F152-L254 HydrophobicContact CG-CG 4.17Å; V201-L254 HydrophobicContact CG2-CD1 4.03Å; H252-L254 PolarHBondContact CE1-N 2.67Å; H252-L254 WeakPolarHBondContact ND1-CA 3.37Å; H252-L254 PolarHBondContact ND1-N 3.49Å; L254-L298 HydrophobicContact CD2-CD2 3.9Å; L254-L298 HydrophobicContact CD2-CG 3.83Å; L254-L298 VanDerWaalsContact CD2-O 3.26Å; L254-L298 WeakPolarHBondContact CD2-O 3.42Å; L254-S299 WeakPolarHBondContact O-CA 3.29Å; L254-F300 HydrophobicContact CB-CD2 4.29Å; L254-F300 HydrophobicContact CD2-CD2 4.41Å; L254-F300 PolarHBondContact O-N 2.9Å; L254-F301 PolarHBondContact O-N 2.86Å
255	R	97.5	Very high	94.6	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.038	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	154.3	-179.2	-50.9	-54.6	173.7	128.4	1.2	112.6	N126 D131 W199 F200 N253 V257 S299 F301	N126-R255 VanDerWaalsContact O-CZ 3.24Å; N126-R255 PolarHBondContact O-NH1 3.45Å; N126-R255 PolarHBondContact O-NH2 3.01Å; N126-R255 PolarHBondContact OD1-NH2 2.92Å; D131-R255 IonicContact OD1-NH1 3.5Å; W199-R255 HydrophobicContact CB-CG 3.79Å; F200-R255 PolarHBondContact O-NH2 3.41Å; N253-R255 HydrophobicContact CB-CG 4.36Å; N253-R255 WeakPolarHBondContact ND2-CG 3.46Å; N253-R255 WeakPolarHBondContact O-CG 3.48Å; N253-R255 PolarHBondContact O-N 3.37Å; N253-R255 PolarHBondContact OD1-N 3.35Å; R255-V257 HydrophobicContact CB-CG2 4.11Å; R255-S299 PolarHBondContact O-OG 2.8Å; R255-F301 CarbonylContact C-O 3.51Å; R255-F301 WeakPolarHBondContact CA-O 3.27Å
256	F	96.7	Very high	93.8	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.053	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.2	163.2	-179	-148.8	0	0	0	109.8	L134 F282 R289 L290 F293 F301 A302 R303	L134-F256 HydrophobicContact CD1-CB 4.14Å; L134-F256 HydrophobicContact CD1-CD1 4.26Å; F256-F282 HydrophobicContact CD1-CE1 4.29Å; F256-F282 AromaticContact CD1-CZ 3.73Å; F256-F282 HydrophobicContact CD1-CZ 3.73Å; F256-F282 AromaticContact CE1-CE1 3.69Å; F256-F282 HydrophobicContact CE1-CE1 3.69Å; F256-F282 AromaticContact CE1-CZ 3.59Å; F256-F282 HydrophobicContact CE1-CZ 3.59Å; F256-F282 HydrophobicContact CG-CZ 4.28Å; F256-F282 HydrophobicContact CZ-CE1 4.01Å; F256-F282 HydrophobicContact CZ-CZ 4.01Å; F256-R289 HydrophobicContact CZ-CG 4.3Å; F256-L290 HydrophobicContact CD1-CD2 3.82Å; F256-L290 HydrophobicContact CE1-CD2 3.86Å; F256-L290 HydrophobicContact CE1-CG 4.4Å; F256-F293 HydrophobicContact CB-CD1 3.66Å; F256-F293 HydrophobicContact CB-CE1 3.54Å; F256-F293 HydrophobicContact CB-CZ 4.35Å; F256-F293 HydrophobicContact CD1-CB 3.97Å; F256-F293 AromaticContact CD1-CD1 3.64Å; F256-F293 HydrophobicContact CD1-CD1 3.64Å; F256-F293 HydrophobicContact CD1-CD2 4.41Å; F256-F293 HydrophobicContact CD1-CE1 4.23Å; F256-F293 AromaticContact CD1-CG 3.74Å; F256-F293 HydrophobicContact CD1-CG 3.74Å; F256-F293 AromaticContact CD2-CD1 3.95Å; F256-F293 HydrophobicContact CD2-CD1 3.95Å; F256-F293 HydrophobicContact CD2-CD2 4.13Å; F256-F293 AromaticContact CD2-CE1 3.74Å; F256-F293 HydrophobicContact CD2-CE1 3.74Å; F256-F293 AromaticContact CD2-CE2 3.94Å; F256-F293 HydrophobicContact CD2-CE2 3.94Å; F256-F293 HydrophobicContact CD2-CG 4.14Å; F256-F293 AromaticContact CD2-CZ 3.73Å; F256-F293 HydrophobicContact CD2-CZ 3.73Å; F256-F293 HydrophobicContact CE1-CB 3.89Å; F256-F293 HydrophobicContact CE1-CD1 4.27Å; F256-F293 HydrophobicContact CE1-CD2 4.28Å; F256-F293 AromaticContact CE1-CG 3.89Å; F256-F293 HydrophobicContact CE1-CG 3.89Å; F256-F293 HydrophobicContact CE2-CD2 4.02Å; F256-F293 HydrophobicContact CE2-CE2 4.02Å; F256-F293 HydrophobicContact CE2-CG 4.29Å; F256-F293 HydrophobicContact CE2-CZ 4.29Å; F256-F293 AromaticContact CG-CD1 3.47Å; F256-F293 HydrophobicContact CG-CD1 3.47Å; F256-F293 VanDerWaalsContact CG-CD1 3.47Å; F256-F293 HydrophobicContact CG-CD2 4.35Å; F256-F293 AromaticContact CG-CE1 3.57Å; F256-F293 HydrophobicContact CG-CE1 3.57Å; F256-F293 HydrophobicContact CG-CE2 4.44Å; F256-F293 AromaticContact CG-CG 3.88Å; F256-F293 HydrophobicContact CG-CG 3.88Å; F256-F293 HydrophobicContact CG-CZ 4.07Å; F256-F293 HydrophobicContact CZ-CB 4.47Å; F256-F293 HydrophobicContact CZ-CD2 4.1Å; F256-F293 HydrophobicContact CZ-CG 4.17Å; F256-F301 PolarHBondContact N-O 3Å; F256-A302 HydrophobicContact CB-CB 4.09Å; F256-A302 HydrophobicContact CD1-CB 4.44Å; F256-A302 CarbonylContact O-C 3.56Å; F256-A302 WeakPolarHBondContact O-CA 3.38Å; F256-A302 WeakPolarHBondContact O-CB 3.44Å; F256-R303 PolarHBondContact O-N 3.27Å
257	V	96.3	Very high	93.2	Very high	22 Å²	22	60.5 Å²	60.5	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.1	-174.9	-172.5	0	0	0	0	109.8	R255 W259 P279 R303	R255-V257 HydrophobicContact CB-CG2 4.11Å; V257-W259 VanDerWaalsContact C-N 3.28Å; V257-W259 HydrophobicContact CG1-CD2 4.18Å; V257-W259 HydrophobicContact CG1-CG 4.19Å; V257-W259 HydrophobicContact CG1-CZ2 4.19Å; V257-W259 PolarHBondContact O-N 2.94Å; V257-P279 HydrophobicContact CG1-CB 3.54Å; V257-P279 HydrophobicContact CG1-CG 3.33Å; V257-R303 WeakPolarHBondContact CA-O 3.17Å; V257-R303 HydrophobicContact CB-CG 4.44Å; V257-R303 HydrophobicContact CG1-CG 4.16Å; V257-R303 HydrophobicContact CG2-CG 3.93Å
258	N	95.9	Very high	91.8	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.043	32%	0.319	C	S	.	.			trans	-79.1	70.6	-176.9	-161	11.2	0	0	0	112.7	L280 F282 R289 R303	N258-L280 HydrophobicContact CB-CB 4.46Å; N258-L280 PolarHBondContact O-N 3.26Å; N258-F282 HydrophobicContact CB-CD1 4.06Å; N258-F282 HydrophobicContact CB-CD2 4.23Å; N258-F282 HydrophobicContact CB-CE1 3.65Å; N258-F282 HydrophobicContact CB-CE2 3.82Å; N258-F282 HydrophobicContact CB-CG 4.34Å; N258-F282 HydrophobicContact CB-CZ 3.53Å; N258-R289 PolarHBondContact OD1-NH1 2.94Å; N258-R303 PolarHBondContact N-O 3.09Å
259	W	93.9	Very high	90.8	Very high	125 Å²	125	65.4 Å²	65.4	47%	0.473	33%	0.33	S	S	.	.			trans	-79.3	126.8	177.1	-69.7	112.6	0	0	0	112	V257 C277 S278 P279	V257-W259 VanDerWaalsContact C-N 3.28Å; V257-W259 HydrophobicContact CG1-CD2 4.18Å; V257-W259 HydrophobicContact CG1-CG 4.19Å; V257-W259 HydrophobicContact CG1-CZ2 4.19Å; V257-W259 PolarHBondContact O-N 2.94Å; W259-C277 HydrophobicContact CZ3-CB 3.81Å; W259-S278 VanDerWaalsContact CZ3-C 3.44Å; W259-P279 HydrophobicContact CD2-CB 4.48Å; W259-P279 HydrophobicContact CD2-CG 4.21Å; W259-P279 HydrophobicContact CE3-CB 4.43Å; W259-P279 HydrophobicContact CE3-CG 4.18Å; W259-P279 HydrophobicContact CH2-CG 3.71Å; W259-P279 HydrophobicContact CZ2-CG 3.72Å; W259-P279 HydrophobicContact CZ3-CG 3.94Å
260	K	92.5	Very high	90	Very high	110 Å²	110	74.2 Å²	74.2	48%	0.478	36%	0.359	S	S	.	.			trans	-140.2	97.2	163.5	-173.1	170.9	178	-177.9	0	108.8	T262 L263 G264 L280	K260-T262 PolarHBondContact O-N 3.36Å; K260-L263 HydrophobicContact CD-CD1 3.85Å; K260-L263 HydrophobicContact CD-CG 4.18Å; K260-L263 HydrophobicContact CG-CG 4.44Å; K260-L263 PolarHBondContact O-N 3.18Å; K260-G264 PolarHBondContact O-N 2.9Å; K260-L280 HydrophobicContact CB-CD1 3.62Å; K260-L280 HydrophobicContact CB-CG 4.21Å; K260-L280 HydrophobicContact CD-CD1 4.19Å; K260-L280 HydrophobicContact CG-CD1 4.42Å
261	R	88.8	Confident	89.5	Confident	199 Å²	199	76.5 Å²	76.5	75%	0.751	37%	0.372	S	S	*	.	H	α-helix	trans	-57.7	-35.2	-169.7	-70.6	-171.6	177.6	143.1	1.5	113.6	L263 C265	R261-L263 PolarHBondContact O-N 3.39Å; R261-C265 VanDerWaalsContact O-CB 3.29Å; R261-C265 WeakPolarHBondContact O-CB 3.25Å; R261-C265 PolarHBondContact O-N 3.1Å; R261-C265 PolarHBondContact O-SG 2.96Å
262	T	90.4	Very high	89.2	Confident	116 Å²	116	73 Å²	73	71%	0.712	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-20.2	179.8	60.3	0	0	0	0	114.1	K260	K260-T262 PolarHBondContact O-N 3.36Å
263	L	89.4	Confident	89.1	Confident	91 Å²	91	71 Å²	71	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-116.2	-21.9	-179.2	-63	-175.1	0	0	0	113.6	K260 R261 H266 L280	K260-L263 HydrophobicContact CD-CD1 3.85Å; K260-L263 HydrophobicContact CD-CG 4.18Å; K260-L263 HydrophobicContact CG-CG 4.44Å; K260-L263 PolarHBondContact O-N 3.18Å; R261-L263 PolarHBondContact O-N 3.39Å; L263-H266 PolarHBondContact O-NE2 2.76Å; L263-L280 HydrophobicContact CB-CD1 4.2Å; L263-L280 HydrophobicContact CB-CD2 3.99Å; L263-L280 HydrophobicContact CD1-CD1 4.12Å
264	G	87.8	Confident	88.8	Confident	10 Å²	10	72.2 Å²	72.2	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-102.2	-10.2	-174.1	0	0	0	0	0	114.6	K260 C277 S278	K260-G264 PolarHBondContact O-N 2.9Å; G264-C277 CarbonylContact O-C 3.54Å; G264-C277 VanDerWaalsContact O-CA 3.29Å; G264-C277 WeakPolarHBondContact O-CA 3.23Å; G264-S278 WeakPolarHBondContact CA-O 3.34Å; G264-S278 PolarHBondContact O-N 2.93Å
265	C	90.3	Very high	88.6	Confident	42 Å²	42	75.1 Å²	75.1	28%	0.284	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117	-178	-60.3	0	0	0	0	110.5	R261 S276 C277	R261-C265 VanDerWaalsContact O-CB 3.29Å; R261-C265 WeakPolarHBondContact O-CB 3.25Å; R261-C265 PolarHBondContact O-N 3.1Å; R261-C265 PolarHBondContact O-SG 2.96Å; C265-S276 WeakPolarHBondContact CA-O 3.47Å; C265-C277 HydrophobicContact CB-CB 4.07Å; C265-C277 WeakPolarHBondContact CB-SG 3.23Å; C265-C277 WeakPolarHBondContact SG-CB 3.4Å; C265-C277 CovalentContact SG-SG 2.04Å; C265-C277 PolarHBondContact SG-SG 3.14Å
266	H	80.4	Confident	88	Confident	103 Å²	103	76.1 Å²	76.1	48%	0.477	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.8	178.8	-57.8	-67.8	0	0	0	110.2	L263 H268 S276	L263-H266 PolarHBondContact O-NE2 2.76Å; H266-H268 PolarHBondContact O-N 2.95Å; H266-S276 PolarHBondContact N-O 3.08Å
267	C	83.2	Confident	87.8	Confident	85 Å²	85	77.9 Å²	77.9	57%	0.574	38%	0.384	S	S	*	.			trans	-92.5	73.6	176.5	-68.6	0	0	0	0	110.2	C275	C267-C275 HydrophobicContact CB-CB 4.1Å; C267-C275 WeakPolarHBondContact CB-SG 3.44Å; C267-C275 WeakPolarHBondContact SG-CB 3.36Å; C267-C275 CovalentContact SG-SG 2.04Å; C267-C275 PolarHBondContact SG-SG 2.74Å
268	H	67.3	Low	87.6	Confident	139 Å²	139	79 Å²	79	64%	0.644	39%	0.393	S	S	*	.			trans	-109.6	96	172.4	-65.3	-52.8	0	0	0	110.1	H266 R270	H266-H268 PolarHBondContact O-N 2.95Å; H268-R270 PolarHBondContact O-N 2.86Å
269	Q	77.7	Confident	87.5	Confident	100 Å²	100	79.1 Å²	79.1	47%	0.467	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	40	-175.2	-62.7	175.4	-14.3	0	0	113.3	R178 V272	R178-Q269 PolarHBondContact NH2-O 2.9Å; Q269-V272 WeakPolarHBondContact CA-O 3.37Å; Q269-V272 WeakPolarHBondContact CB-O 3.21Å
270	R	80.2	Confident	87.6	Confident	216 Å²	216	75 Å²	75	82%	0.815	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-39.8	-179.9	-71.1	-172.5	178.5	-176.5	0.6	112.3	R178 H268	R178-R270 PolarHBondContact NH1-O 2.94Å; H268-R270 PolarHBondContact O-N 2.86Å
271	V	85.4	Confident	87.8	Confident	59 Å²	59	70.8 Å²	70.8	36%	0.358	36%	0.364	S	S	.	.	S	Bend	trans	-106.3	-26	-176.5	-177.6	0	0	0	0	111.5	I97 R178 M179	I97-V271 HydrophobicContact CB-CG1 4.18Å; I97-V271 HydrophobicContact CD1-CG1 4.34Å; R178-V271 CarbonylContact C-O 3.42Å; R178-V271 WeakPolarHBondContact CA-O 3.25Å; R178-V271 WeakPolarHBondContact CG-O 3.47Å; M179-V271 PolarHBondContact N-O 3.32Å
272	V	89.8	Confident	88.2	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.018	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-143.1	137	-174.7	-180	0	0	0	0	109.5	W98 M179 L229 Q269 W274	W98-V272 HydrophobicContact CE3-CB 4.34Å; W98-V272 HydrophobicContact CE3-CG2 3.57Å; W98-V272 HydrophobicContact CZ3-CB 4.06Å; W98-V272 HydrophobicContact CZ3-CG1 4.32Å; W98-V272 HydrophobicContact CZ3-CG2 3.68Å; W98-V272 WeakPolarHBondContact O-CG2 3.22Å; M179-V272 HydrophobicContact CB-CB 4.14Å; M179-V272 HydrophobicContact CB-CG1 3.89Å; M179-V272 HydrophobicContact CB-CG2 3.9Å; M179-V272 HydrophobicContact CG-CG2 4.05Å; L229-V272 HydrophobicContact CD1-CG1 3.45Å; L229-V272 VanDerWaalsContact CD1-CG1 3.45Å; L229-V272 HydrophobicContact CD1-CG2 4.48Å; L229-V272 HydrophobicContact CD2-CG1 4.16Å; L229-V272 HydrophobicContact CG-CG1 4.47Å; Q269-V272 WeakPolarHBondContact CA-O 3.37Å; Q269-V272 WeakPolarHBondContact CB-O 3.21Å; V272-W274 HydrophobicContact CG1-CB 3.78Å; V272-W274 PolarHBondContact O-N 3.4Å
273	D	91.8	Very high	88.4	Confident	26 Å²	26	62.2 Å²	62.2	14%	0.139	32%	0.319	C	S	.	.	S	Bend	trans	-77.3	49.2	174.3	-64.2	-14.9	0	0	0	112.5	R178 M179 W180 R181	R178-D273 IonicContact CZ-OD1 3.85Å; R178-D273 IonicContact NE-OD1 2.74Å; R178-D273 PolarHBondContact NE-OD1 3.44Å; R178-D273 IonicContact NH2-OD1 3.27Å; R178-D273 PolarHBondContact NH2-OD1 3.35Å; M179-D273 PolarHBondContact O-N 3.26Å; W180-D273 WeakPolarHBondContact CA-OD2 3.37Å; R181-D273 HydrophobicContact CB-CB 3.68Å; R181-D273 PolarHBondContact N-OD2 2.63Å; R181-D273 VanDerWaalsContact N-OD2 3.08Å
274	W	92.8	Very high	88.7	Confident	41 Å²	41	61.7 Å²	61.7	16%	0.155	32%	0.316	C	S	.	.	S	Bend	trans	-155.9	151.7	-178.8	-154	-108.9	0	0	0	111.2	K165 R170 F172 L229 V272	K165-W274 PolarHBondContact O-NE1 3.01Å; R170-W274 HydrophobicContact CG-CH2 4.01Å; R170-W274 HydrophobicContact CG-CZ3 3.93Å; F172-W274 HydrophobicContact CE1-CB 4.43Å; F172-W274 HydrophobicContact CZ-CB 4.38Å; F172-W274 HydrophobicContact CZ-CD2 4.13Å; F172-W274 AromaticContact CZ-CE3 3.8Å; F172-W274 HydrophobicContact CZ-CE3 3.8Å; F172-W274 HydrophobicContact CZ-CG 4.41Å; F172-W274 HydrophobicContact CZ-CZ3 4.42Å; L229-W274 HydrophobicContact CD2-CB 3.51Å; L229-W274 HydrophobicContact CD2-CD2 4.22Å; L229-W274 HydrophobicContact CD2-CG 3.47Å; L229-W274 VanDerWaalsContact CD2-CG 3.47Å; V272-W274 HydrophobicContact CG1-CB 3.78Å; V272-W274 PolarHBondContact O-N 3.4Å
275	C	92	Very high	89.1	Confident	60 Å²	60	65.8 Å²	65.8	41%	0.405	35%	0.349	S	S	.	.			trans	-79	141	172.5	-69.3	0	0	0	0	110.4	C267	C267-C275 HydrophobicContact CB-CB 4.1Å; C267-C275 WeakPolarHBondContact CB-SG 3.44Å; C267-C275 WeakPolarHBondContact SG-CB 3.36Å; C267-C275 CovalentContact SG-SG 2.04Å; C267-C275 PolarHBondContact SG-SG 2.74Å
276	S	85.5	Confident	89.3	Confident	31 Å²	31	65.4 Å²	65.4	22%	0.217	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	164.6	-173.5	65.8	0	0	0	0	115.1	W98 C265 H266	W98-S276 WeakPolarHBondContact CH2-OG 3.36Å; W98-S276 WeakPolarHBondContact CZ3-OG 3.26Å; C265-S276 WeakPolarHBondContact CA-O 3.47Å; H266-S276 PolarHBondContact N-O 3.08Å
277	C	92.2	Very high	90	Very high	49 Å²	49	61.6 Å²	61.6	33%	0.331	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.4	178.8	-55.7	0	0	0	0	110.6	W259 G264 C265	W259-C277 HydrophobicContact CZ3-CB 3.81Å; G264-C277 CarbonylContact O-C 3.54Å; G264-C277 VanDerWaalsContact O-CA 3.29Å; G264-C277 WeakPolarHBondContact O-CA 3.23Å; C265-C277 HydrophobicContact CB-CB 4.07Å; C265-C277 WeakPolarHBondContact CB-SG 3.23Å; C265-C277 WeakPolarHBondContact SG-CB 3.4Å; C265-C277 CovalentContact SG-SG 2.04Å; C265-C277 PolarHBondContact SG-SG 3.14Å
278	S	91.6	Very high	90.5	Very high	47 Å²	47	65.6 Å²	65.6	33%	0.329	34%	0.337	S	S	.	.			trans	-128.4	144	170.1	-171.9	0	0	0	0	109.9	W259 G264	W259-S278 VanDerWaalsContact CZ3-C 3.44Å; G264-S278 WeakPolarHBondContact CA-O 3.34Å; G264-S278 PolarHBondContact O-N 2.93Å
279	P	95.1	Very high	91.9	Very high	10 Å²	10	64.5 Å²	64.5	7%	0.065	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.1	150.1	173.2	-19.5	31.4	0	0	0	111.4	V257 W259 K304	V257-P279 HydrophobicContact CG1-CB 3.54Å; V257-P279 HydrophobicContact CG1-CG 3.33Å; W259-P279 HydrophobicContact CD2-CB 4.48Å; W259-P279 HydrophobicContact CD2-CG 4.21Å; W259-P279 HydrophobicContact CE3-CB 4.43Å; W259-P279 HydrophobicContact CE3-CG 4.18Å; W259-P279 HydrophobicContact CH2-CG 3.71Å; W259-P279 HydrophobicContact CZ2-CG 3.72Å; W259-P279 HydrophobicContact CZ3-CG 3.94Å; P279-K304 HydrophobicContact CB-CG 4.36Å
280	L	95.9	Very high	92.7	Very high	38 Å²	38	59.8 Å²	59.8	20%	0.199	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-71.7	157.1	172.4	-60.9	-172.1	0	0	0	111.3	N258 K260 L263 K304	N258-L280 HydrophobicContact CB-CB 4.46Å; N258-L280 PolarHBondContact O-N 3.26Å; K260-L280 HydrophobicContact CB-CD1 3.62Å; K260-L280 HydrophobicContact CB-CG 4.21Å; K260-L280 HydrophobicContact CD-CD1 4.19Å; K260-L280 HydrophobicContact CG-CD1 4.42Å; L263-L280 HydrophobicContact CB-CD1 4.2Å; L263-L280 HydrophobicContact CB-CD2 3.99Å; L263-L280 HydrophobicContact CD1-CD1 4.12Å; L280-K304 PolarHBondContact O-N 3.44Å
281	V	96.4	Very high	93.3	Very high	22 Å²	22	52.6 Å²	52.6	13%	0.133	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-78.5	128.7	166.9	173.1	0	0	0	0	108.8	K304 D306 I309	V281-K304 CarbonylContact C-O 3.49Å; V281-K304 VanDerWaalsContact CA-O 3.3Å; V281-K304 WeakPolarHBondContact CA-O 3.4Å; V281-K304 HydrophobicContact CG2-CB 4.22Å; V281-D306 HydrophobicContact CG1-CB 3.92Å; V281-D306 HydrophobicContact CG2-CB 3.89Å; V281-I309 HydrophobicContact CB-CD1 4.09Å; V281-I309 HydrophobicContact CB-CG2 4.46Å; V281-I309 HydrophobicContact CG1-CB 4.12Å; V281-I309 HydrophobicContact CG1-CD1 4.3Å; V281-I309 HydrophobicContact CG1-CG2 4.01Å; V281-I309 HydrophobicContact CG2-CD1 3.8Å
282	F	97.1	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-61.2	144.2	170.9	-73.8	-74.1	0	0	0	110.3	F256 N258 D286 L290 A302 R303 K304 F305 I313	F256-F282 HydrophobicContact CD1-CE1 4.29Å; F256-F282 AromaticContact CD1-CZ 3.73Å; F256-F282 HydrophobicContact CD1-CZ 3.73Å; F256-F282 AromaticContact CE1-CE1 3.69Å; F256-F282 HydrophobicContact CE1-CE1 3.69Å; F256-F282 AromaticContact CE1-CZ 3.59Å; F256-F282 HydrophobicContact CE1-CZ 3.59Å; F256-F282 HydrophobicContact CG-CZ 4.28Å; F256-F282 HydrophobicContact CZ-CE1 4.01Å; F256-F282 HydrophobicContact CZ-CZ 4.01Å; N258-F282 HydrophobicContact CB-CD1 4.06Å; N258-F282 HydrophobicContact CB-CD2 4.23Å; N258-F282 HydrophobicContact CB-CE1 3.65Å; N258-F282 HydrophobicContact CB-CE2 3.82Å; N258-F282 HydrophobicContact CB-CG 4.34Å; N258-F282 HydrophobicContact CB-CZ 3.53Å; F282-D286 WeakPolarHBondContact CA-OD2 3.37Å; F282-D286 HydrophobicContact CD1-CB 3.75Å; F282-L290 HydrophobicContact CB-CD1 4.08Å; F282-L290 HydrophobicContact CD1-CD1 3.77Å; F282-L290 HydrophobicContact CD1-CD2 4.06Å; F282-L290 HydrophobicContact CD1-CG 3.96Å; F282-L290 HydrophobicContact CD2-CD2 4.35Å; F282-L290 HydrophobicContact CE1-CD1 4.3Å; F282-L290 HydrophobicContact CE1-CD2 3.78Å; F282-L290 HydrophobicContact CE1-CG 3.98Å; F282-L290 HydrophobicContact CE2-CD2 4.09Å; F282-L290 HydrophobicContact CG-CD1 3.91Å; F282-L290 HydrophobicContact CG-CD2 4.32Å; F282-L290 HydrophobicContact CG-CG 4.45Å; F282-L290 HydrophobicContact CZ-CD2 3.79Å; F282-L290 HydrophobicContact CZ-CG 4.49Å; F282-A302 HydrophobicContact CE2-CB 3.95Å; F282-A302 HydrophobicContact CZ-CB 4.48Å; F282-R303 VanDerWaalsContact CE2-O 3.31Å; F282-R303 WeakPolarHBondContact CE2-O 3.22Å; F282-K304 PolarHBondContact N-O 3.13Å; F282-F305 HydrophobicContact CB-CD1 4.16Å; F282-F305 HydrophobicContact CB-CE1 3.84Å; F282-F305 HydrophobicContact CB-CZ 4.49Å; F282-F305 HydrophobicContact CD2-CD1 4.48Å; F282-F305 AromaticContact CD2-CE1 3.94Å; F282-F305 HydrophobicContact CD2-CE1 3.94Å; F282-F305 HydrophobicContact CD2-CE2 4.12Å; F282-F305 AromaticContact CD2-CZ 3.75Å; F282-F305 HydrophobicContact CD2-CZ 3.75Å; F282-F305 HydrophobicContact CE2-CZ 4.34Å; F282-F305 HydrophobicContact CG-CE1 4.19Å; F282-F305 HydrophobicContact CG-CZ 4.35Å; F282-I313 HydrophobicContact CB-CG1 4.29Å; F282-I313 WeakPolarHBondContact O-CG2 3.43Å
283	R	95.6	Very high	93.7	Very high	135 Å²	135	53.9 Å²	53.9	51%	0.509	29%	0.287	S	S	.	.			trans	-120.1	170.4	174.7	-65.1	-172	176	104.9	-3.7	110.9	A285 D286 D310 I313	R283-A285 PolarHBondContact O-N 3.17Å; R283-A285 VanDerWaalsContact O-N 3.13Å; R283-D286 PolarHBondContact N-OD2 3.15Å; R283-D286 WeakPolarHBondContact O-CA 3.41Å; R283-D286 WeakPolarHBondContact O-CB 3.39Å; R283-D286 PolarHBondContact O-N 3.15Å; R283-D310 VanDerWaalsContact CA-OD2 3.25Å; R283-D310 WeakPolarHBondContact CA-OD2 3.5Å; R283-D310 WeakPolarHBondContact CB-OD2 3.4Å; R283-D310 HydrophobicContact CG-CB 4.4Å; R283-I313 WeakPolarHBondContact O-CD1 3.48Å
284	L	94.5	Very high	93.7	Very high	80 Å²	80	53.1 Å²	53.1	42%	0.419	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-56.7	-32.1	178.2	-174.5	62.5	0	0	0	112	D286 S287 D310 A312 K316	L284-D286 PolarHBondContact O-N 2.9Å; L284-S287 WeakPolarHBondContact O-CB 3.43Å; L284-S287 PolarHBondContact O-N 3Å; L284-S287 PolarHBondContact O-OG 3.12Å; L284-D310 PolarHBondContact N-OD2 2.77Å; L284-A312 HydrophobicContact CD1-CB 4.4Å; L284-A312 HydrophobicContact CD2-CB 4.18Å; L284-K316 HydrophobicContact CD1-CB 4.45Å
285	A	95.6	Very high	93.6	Very high	96 Å²	96	55.4 Å²	55.4	79%	0.793	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27	173	0	0	0	0	0	113.5	R283 S287	R283-A285 PolarHBondContact O-N 3.17Å; R283-A285 VanDerWaalsContact O-N 3.13Å; A285-S287 VanDerWaalsContact C-N 3.29Å; A285-S287 PolarHBondContact O-N 2.69Å
286	D	95.8	Very high	93.6	Very high	34 Å²	34	59.9 Å²	59.9	18%	0.182	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-83	-1.8	176.9	-61.3	-62.7	0	0	0	113.2	F282 R283 L284 K288 R289 L290	F282-D286 WeakPolarHBondContact CA-OD2 3.37Å; F282-D286 HydrophobicContact CD1-CB 3.75Å; R283-D286 PolarHBondContact N-OD2 3.15Å; R283-D286 WeakPolarHBondContact O-CA 3.41Å; R283-D286 WeakPolarHBondContact O-CB 3.39Å; R283-D286 PolarHBondContact O-N 3.15Å; L284-D286 PolarHBondContact O-N 2.9Å; D286-K288 PolarHBondContact O-N 3.21Å; D286-R289 WeakPolarHBondContact O-CA 3.34Å; D286-R289 WeakPolarHBondContact O-CB 3.43Å; D286-R289 PolarHBondContact O-N 3.43Å; D286-L290 HydrophobicContact CB-CD1 4.31Å; D286-L290 PolarHBondContact O-N 3.03Å
287	S	94.3	Very high	94	Very high	22 Å²	22	62.6 Å²	62.6	15%	0.154	33%	0.328	C	S	.	.	H	α-helix	trans	-55.5	-48.3	-173.1	53.9	0	0	0	0	113.8	L284 A285 R289 L290 E291	L284-S287 WeakPolarHBondContact O-CB 3.43Å; L284-S287 PolarHBondContact O-N 3Å; L284-S287 PolarHBondContact O-OG 3.12Å; A285-S287 VanDerWaalsContact C-N 3.29Å; A285-S287 PolarHBondContact O-N 2.69Å; S287-R289 VanDerWaalsContact C-N 3.3Å; S287-R289 PolarHBondContact O-N 3.33Å; S287-L290 WeakPolarHBondContact O-CB 3.31Å; S287-L290 PolarHBondContact O-N 3.41Å; S287-E291 WeakPolarHBondContact O-CG 3.09Å; S287-E291 PolarHBondContact O-N 2.88Å
288	K	94.9	Very high	94	Very high	169 Å²	169	62.4 Å²	62.4	74%	0.735	32%	0.324	S	S	*	.	H	α-helix	trans	-60.7	-39.6	176.7	-69.2	-176.1	178.1	-179.3	0	112	D286 S292	D286-K288 PolarHBondContact O-N 3.21Å; K288-S292 WeakPolarHBondContact O-CB 3.42Å; K288-S292 PolarHBondContact O-N 3.28Å
289	R	94.9	Very high	94.2	Very high	117 Å²	117	60.2 Å²	60.2	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-65.2	-43.8	176.9	-177	-179.9	175.7	-149.5	-3	110.5	F256 N258 D286 S287 F293	F256-R289 HydrophobicContact CZ-CG 4.3Å; N258-R289 PolarHBondContact OD1-NH1 2.94Å; D286-R289 WeakPolarHBondContact O-CA 3.34Å; D286-R289 WeakPolarHBondContact O-CB 3.43Å; D286-R289 PolarHBondContact O-N 3.43Å; S287-R289 VanDerWaalsContact C-N 3.3Å; S287-R289 PolarHBondContact O-N 3.33Å; R289-F293 VanDerWaalsContact O-CB 3.22Å; R289-F293 WeakPolarHBondContact O-CB 3.45Å; R289-F293 PolarHBondContact O-N 2.99Å
290	L	94.5	Very high	94.3	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-45.3	176	-80.3	161.5	0	0	0	112.2	L134 F256 F282 D286 S287 F293 A294 A302 F305 I313	L134-L290 HydrophobicContact CD2-CD2 3.9Å; F256-L290 HydrophobicContact CD1-CD2 3.82Å; F256-L290 HydrophobicContact CE1-CD2 3.86Å; F256-L290 HydrophobicContact CE1-CG 4.4Å; F282-L290 HydrophobicContact CB-CD1 4.08Å; F282-L290 HydrophobicContact CD1-CD1 3.77Å; F282-L290 HydrophobicContact CD1-CD2 4.06Å; F282-L290 HydrophobicContact CD1-CG 3.96Å; F282-L290 HydrophobicContact CD2-CD2 4.35Å; F282-L290 HydrophobicContact CE1-CD1 4.3Å; F282-L290 HydrophobicContact CE1-CD2 3.78Å; F282-L290 HydrophobicContact CE1-CG 3.98Å; F282-L290 HydrophobicContact CE2-CD2 4.09Å; F282-L290 HydrophobicContact CG-CD1 3.91Å; F282-L290 HydrophobicContact CG-CD2 4.32Å; F282-L290 HydrophobicContact CG-CG 4.45Å; F282-L290 HydrophobicContact CZ-CD2 3.79Å; F282-L290 HydrophobicContact CZ-CG 4.49Å; D286-L290 HydrophobicContact CB-CD1 4.31Å; D286-L290 PolarHBondContact O-N 3.03Å; S287-L290 WeakPolarHBondContact O-CB 3.31Å; S287-L290 PolarHBondContact O-N 3.41Å; L290-F293 PolarHBondContact O-N 3.1Å; L290-A294 VanDerWaalsContact O-CB 3.25Å; L290-A294 WeakPolarHBondContact O-CB 3.45Å; L290-A294 PolarHBondContact O-N 3.22Å; L290-A302 HydrophobicContact CD2-CB 4.14Å; L290-F305 HydrophobicContact CD1-CE1 4.25Å; L290-F305 HydrophobicContact CD1-CZ 4.41Å; L290-F305 HydrophobicContact CD2-CZ 4.31Å; L290-I313 HydrophobicContact CD1-CD1 3.65Å; L290-I313 HydrophobicContact CD1-CG1 3.93Å
291	E	92.9	Very high	94.4	Very high	66 Å²	66	58.3 Å²	58.3	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-47.6	176.3	-74.2	174.7	170	0	0	112.3	S287 F293 A294 S295 K316 M320	S287-E291 WeakPolarHBondContact O-CG 3.09Å; S287-E291 PolarHBondContact O-N 2.88Å; E291-F293 VanDerWaalsContact C-N 3.27Å; E291-F293 PolarHBondContact O-N 3.21Å; E291-A294 PolarHBondContact O-N 2.87Å; E291-S295 PolarHBondContact O-N 3.26Å; E291-S295 PolarHBondContact O-OG 3.36Å; E291-K316 WeakPolarHBondContact OE1-CE 3.16Å; E291-K316 IonicContact OE1-NZ 2.65Å; E291-K316 PolarHBondContact OE1-NZ 3.45Å; E291-M320 HydrophobicContact CB-CE 4.28Å; E291-M320 HydrophobicContact CG-CE 3.51Å; E291-M320 HydrophobicContact CG-CG 4.44Å; E291-M320 HydrophobicContact CG-SD 3.58Å; E291-M320 VanDerWaalsContact CG-SD 3.58Å
292	S	93.4	Very high	94.4	Very high	45 Å²	45	57.3 Å²	57.3	32%	0.315	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-37.6	176.1	-178.5	0	0	0	0	111.3	K288 S295 K296	K288-S292 WeakPolarHBondContact O-CB 3.42Å; K288-S292 PolarHBondContact O-N 3.28Å; S292-S295 WeakPolarHBondContact CA-OG 3.34Å; S292-S295 PolarHBondContact O-OG 2.72Å; S292-K296 WeakPolarHBondContact O-CB 3.47Å; S292-K296 WeakPolarHBondContact O-CG 3.4Å; S292-K296 PolarHBondContact O-N 3.09Å; S292-K296 VanDerWaalsContact O-N 3.1Å; S292-K296 PolarHBondContact OG-NZ 3.11Å
293	F	91.9	Very high	94.5	Very high	43 Å²	43	58.5 Å²	58.5	19%	0.189	30%	0.296	C	S	.	.	H	α-helix	trans	-71	-44.6	179.8	-157	-87.2	0	0	0	111.3	F256 R289 L290 E291 S295 K296 H297 S299	F256-F293 HydrophobicContact CB-CD1 3.66Å; F256-F293 HydrophobicContact CB-CE1 3.54Å; F256-F293 HydrophobicContact CB-CZ 4.35Å; F256-F293 HydrophobicContact CD1-CB 3.97Å; F256-F293 AromaticContact CD1-CD1 3.64Å; F256-F293 HydrophobicContact CD1-CD1 3.64Å; F256-F293 HydrophobicContact CD1-CD2 4.41Å; F256-F293 HydrophobicContact CD1-CE1 4.23Å; F256-F293 AromaticContact CD1-CG 3.74Å; F256-F293 HydrophobicContact CD1-CG 3.74Å; F256-F293 AromaticContact CD2-CD1 3.95Å; F256-F293 HydrophobicContact CD2-CD1 3.95Å; F256-F293 HydrophobicContact CD2-CD2 4.13Å; F256-F293 AromaticContact CD2-CE1 3.74Å; F256-F293 HydrophobicContact CD2-CE1 3.74Å; F256-F293 AromaticContact CD2-CE2 3.94Å; F256-F293 HydrophobicContact CD2-CE2 3.94Å; F256-F293 HydrophobicContact CD2-CG 4.14Å; F256-F293 AromaticContact CD2-CZ 3.73Å; F256-F293 HydrophobicContact CD2-CZ 3.73Å; F256-F293 HydrophobicContact CE1-CB 3.89Å; F256-F293 HydrophobicContact CE1-CD1 4.27Å; F256-F293 HydrophobicContact CE1-CD2 4.28Å; F256-F293 AromaticContact CE1-CG 3.89Å; F256-F293 HydrophobicContact CE1-CG 3.89Å; F256-F293 HydrophobicContact CE2-CD2 4.02Å; F256-F293 HydrophobicContact CE2-CE2 4.02Å; F256-F293 HydrophobicContact CE2-CG 4.29Å; F256-F293 HydrophobicContact CE2-CZ 4.29Å; F256-F293 AromaticContact CG-CD1 3.47Å; F256-F293 HydrophobicContact CG-CD1 3.47Å; F256-F293 VanDerWaalsContact CG-CD1 3.47Å; F256-F293 HydrophobicContact CG-CD2 4.35Å; F256-F293 AromaticContact CG-CE1 3.57Å; F256-F293 HydrophobicContact CG-CE1 3.57Å; F256-F293 HydrophobicContact CG-CE2 4.44Å; F256-F293 AromaticContact CG-CG 3.88Å; F256-F293 HydrophobicContact CG-CG 3.88Å; F256-F293 HydrophobicContact CG-CZ 4.07Å; F256-F293 HydrophobicContact CZ-CB 4.47Å; F256-F293 HydrophobicContact CZ-CD2 4.1Å; F256-F293 HydrophobicContact CZ-CG 4.17Å; R289-F293 VanDerWaalsContact O-CB 3.22Å; R289-F293 WeakPolarHBondContact O-CB 3.45Å; R289-F293 PolarHBondContact O-N 2.99Å; L290-F293 PolarHBondContact O-N 3.1Å; E291-F293 VanDerWaalsContact C-N 3.27Å; E291-F293 PolarHBondContact O-N 3.21Å; F293-S295 VanDerWaalsContact C-N 3.31Å; F293-S295 PolarHBondContact O-N 3.4Å; F293-K296 PolarHBondContact O-N 3.23Å; F293-H297 HydrophobicContact CD1-CB 3.87Å; F293-H297 AromaticContact CD2-CD2 3.5Å; F293-H297 VanDerWaalsContact CD2-CD2 3.5Å; F293-H297 WeakPolarHBondContact CD2-CD2 3.43Å; F293-H297 AromaticContact CD2-CG 3.99Å; F293-H297 AromaticContact CD2-NE2 3.92Å; F293-H297 HydrophobicContact CE1-CB 3.61Å; F293-H297 AromaticContact CE1-CG 3.96Å; F293-H297 HydrophobicContact CE2-CB 4.3Å; F293-H297 AromaticContact CE2-CD2 3.62Å; F293-H297 AromaticContact CE2-CG 3.72Å; F293-H297 AromaticContact CE2-NE2 3.86Å; F293-H297 HydrophobicContact CG-CB 4.33Å; F293-H297 AromaticContact CG-CD2 3.86Å; F293-H297 HydrophobicContact CZ-CB 3.85Å; F293-H297 AromaticContact CZ-CG 3.7Å; F293-H297 WeakPolarHBondContact O-CB 3.41Å; F293-H297 PolarHBondContact O-N 3.23Å; F293-S299 WeakPolarHBondContact CE1-OG 3.28Å
294	A	91.4	Very high	94.5	Very high	11 Å²	11	55 Å²	55	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-41	175.8	0	0	0	0	0	111.7	L134 K135 L290 E291	L134-A294 HydrophobicContact CB-CB 4Å; L134-A294 HydrophobicContact CD1-CB 4.32Å; K135-A294 WeakPolarHBondContact CE-O 3.38Å; K135-A294 PolarHBondContact NZ-O 3.34Å; L290-A294 VanDerWaalsContact O-CB 3.25Å; L290-A294 WeakPolarHBondContact O-CB 3.45Å; L290-A294 PolarHBondContact O-N 3.22Å; E291-A294 PolarHBondContact O-N 2.87Å
295	S	91.3	Very high	94.6	Very high	88 Å²	88	51.4 Å²	51.4	62%	0.615	27%	0.265	S	S	*	.	H	α-helix	trans	-72.8	-42.7	179.3	50.1	0	0	0	0	113.4	E291 S292 F293	E291-S295 PolarHBondContact O-N 3.26Å; E291-S295 PolarHBondContact O-OG 3.36Å; S292-S295 WeakPolarHBondContact CA-OG 3.34Å; S292-S295 PolarHBondContact O-OG 2.72Å; F293-S295 VanDerWaalsContact C-N 3.31Å; F293-S295 PolarHBondContact O-N 3.4Å
296	K	91.8	Very high	94.6	Very high	154 Å²	154	49.2 Å²	49.2	67%	0.67	24%	0.24	S	C	*	.	H	α-helix	trans	-93	-27.5	-169.4	-63.9	176.7	-177.6	171.4	0	115.1	S292 F293	S292-K296 WeakPolarHBondContact O-CB 3.47Å; S292-K296 WeakPolarHBondContact O-CG 3.4Å; S292-K296 PolarHBondContact O-N 3.09Å; S292-K296 VanDerWaalsContact O-N 3.1Å; S292-K296 PolarHBondContact OG-NZ 3.11Å; F293-K296 PolarHBondContact O-N 3.23Å
297	H	92.7	Very high	94.4	Very high	89 Å²	89	47.7 Å²	47.7	41%	0.412	23%	0.232	S	C	.	.	S	Bend	trans	-108.9	157.6	-172.2	-65.7	-92.8	0	0	0	112.6	K135 F293 S299	K135-H297 PolarHBondContact NZ-O 3.28Å; F293-H297 HydrophobicContact CD1-CB 3.87Å; F293-H297 AromaticContact CD2-CD2 3.5Å; F293-H297 VanDerWaalsContact CD2-CD2 3.5Å; F293-H297 WeakPolarHBondContact CD2-CD2 3.43Å; F293-H297 AromaticContact CD2-CG 3.99Å; F293-H297 AromaticContact CD2-NE2 3.92Å; F293-H297 HydrophobicContact CE1-CB 3.61Å; F293-H297 AromaticContact CE1-CG 3.96Å; F293-H297 HydrophobicContact CE2-CB 4.3Å; F293-H297 AromaticContact CE2-CD2 3.62Å; F293-H297 AromaticContact CE2-CG 3.72Å; F293-H297 AromaticContact CE2-NE2 3.86Å; F293-H297 HydrophobicContact CG-CB 4.33Å; F293-H297 AromaticContact CG-CD2 3.86Å; F293-H297 HydrophobicContact CZ-CB 3.85Å; F293-H297 AromaticContact CZ-CG 3.7Å; F293-H297 WeakPolarHBondContact O-CB 3.41Å; F293-H297 PolarHBondContact O-N 3.23Å; H297-S299 PolarHBondContact O-N 3.16Å
298	L	92.8	Very high	94.2	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.236	23%	0.232	C	C	.	.	S	Bend	trans	-81.9	47.8	176.9	-164	68.1	0	0	0	111.9	L143 H252 L254 F300	L143-L298 HydrophobicContact CD1-CD1 3.99Å; L143-L298 HydrophobicContact CD1-CD2 4.49Å; L143-L298 HydrophobicContact CD2-CD1 4.25Å; L143-L298 HydrophobicContact CD2-CD2 4.45Å; L143-L298 HydrophobicContact CD2-CG 4.44Å; H252-L298 PolarHBondContact CE1-O 2.79Å; L254-L298 HydrophobicContact CD2-CD2 3.9Å; L254-L298 HydrophobicContact CD2-CG 3.83Å; L254-L298 VanDerWaalsContact CD2-O 3.26Å; L254-L298 WeakPolarHBondContact CD2-O 3.42Å; L298-F300 HydrophobicContact CD1-CE2 3.83Å; L298-F300 HydrophobicContact CD1-CZ 4.4Å; L298-F300 HydrophobicContact CG-CE2 4.2Å
299	S	94.6	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.			trans	-111.4	130.2	175.2	-63.4	0	0	0	0	110.9	K135 L254 R255 F293 H297	K135-S299 WeakPolarHBondContact CE-O 3.15Å; L254-S299 WeakPolarHBondContact O-CA 3.29Å; R255-S299 PolarHBondContact O-OG 2.8Å; F293-S299 WeakPolarHBondContact CE1-OG 3.28Å; H297-S299 PolarHBondContact O-N 3.16Å
300	F	97.3	Very high	93.9	Very high	5 Å²	5	39 Å²	39	2%	0.022	20%	0.199	C	C	.	.			trans	-104.9	-22.6	-176	-75	-95.6	0	0	0	112.3	P133 L134 K135 K139 L140 L143 L254 L298	P133-F300 CarbonylContact C-O 3.46Å; P133-F300 VanDerWaalsContact CA-O 3.29Å; P133-F300 WeakPolarHBondContact CA-O 3.49Å; L134-F300 PolarHBondContact N-O 3.01Å; K135-F300 HydrophobicContact CB-CD1 3.73Å; K135-F300 HydrophobicContact CB-CE1 4.06Å; K135-F300 HydrophobicContact CD-CD1 3.98Å; K135-F300 HydrophobicContact CD-CE1 3.85Å; K135-F300 HydrophobicContact CD-CG 4.39Å; K135-F300 HydrophobicContact CD-CZ 4.15Å; K135-F300 HydrophobicContact CG-CD1 4.39Å; K139-F300 HydrophobicContact CB-CE1 3.82Å; L140-F300 VanDerWaalsContact CA-CE1 3.49Å; L140-F300 HydrophobicContact CB-CD1 3.55Å; L140-F300 HydrophobicContact CB-CE1 3.84Å; L140-F300 HydrophobicContact CB-CG 4.13Å; L140-F300 HydrophobicContact CD1-CB 4.26Å; L140-F300 HydrophobicContact CD1-CD1 4.11Å; L140-F300 HydrophobicContact CD1-CD2 4.01Å; L140-F300 HydrophobicContact CD1-CE1 4.48Å; L140-F300 HydrophobicContact CD1-CE2 4.41Å; L140-F300 HydrophobicContact CD1-CG 3.85Å; L140-F300 HydrophobicContact CG-CD1 4.35Å; L140-F300 HydrophobicContact CG-CG 4.45Å; L140-F300 VanDerWaalsContact N-CE1 3.3Å; L143-F300 HydrophobicContact CB-CZ 4.34Å; L143-F300 HydrophobicContact CD2-CD2 4.41Å; L143-F300 HydrophobicContact CD2-CE2 3.6Å; L143-F300 HydrophobicContact CD2-CZ 4.03Å; L254-F300 HydrophobicContact CB-CD2 4.29Å; L254-F300 HydrophobicContact CD2-CD2 4.41Å; L254-F300 PolarHBondContact O-N 2.9Å; L298-F300 HydrophobicContact CD1-CE2 3.83Å; L298-F300 HydrophobicContact CD1-CZ 4.4Å; L298-F300 HydrophobicContact CG-CE2 4.2Å
301	F	98.1	Very high	93.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.8	176.4	-62	-83.5	0	0	0	111	F40 I59 V125 L127 L132 P133 L140 L254 R255 F256	F40-F301 AromaticContact CE1-CZ 3.89Å; F40-F301 HydrophobicContact CE1-CZ 3.89Å; I59-F301 HydrophobicContact CG2-CE1 4.02Å; V125-F301 HydrophobicContact CG1-CD2 4.29Å; V125-F301 HydrophobicContact CG1-CE2 3.72Å; V125-F301 HydrophobicContact CG1-CZ 4.27Å; L127-F301 HydrophobicContact CD1-CD1 4.29Å; L127-F301 HydrophobicContact CD1-CE1 3.83Å; L127-F301 HydrophobicContact CD1-CZ 4.21Å; L127-F301 HydrophobicContact CD2-CB 4.27Å; L127-F301 HydrophobicContact CD2-CD1 3.53Å; L127-F301 HydrophobicContact CD2-CD2 4.21Å; L127-F301 HydrophobicContact CD2-CE1 3.87Å; L127-F301 HydrophobicContact CD2-CE2 4.49Å; L127-F301 HydrophobicContact CD2-CG 3.74Å; L127-F301 HydrophobicContact CD2-CZ 4.35Å; L132-F301 CarbonylContact O-C 3.53Å; L132-F301 WeakPolarHBondContact O-CA 3.39Å; P133-F301 HydrophobicContact CB-CD1 4.09Å; P133-F301 HydrophobicContact CB-CE1 3.91Å; L140-F301 HydrophobicContact CD2-CE2 3.57Å; L140-F301 HydrophobicContact CD2-CZ 4.06Å; L254-F301 PolarHBondContact O-N 2.86Å; R255-F301 CarbonylContact C-O 3.51Å; R255-F301 WeakPolarHBondContact CA-O 3.27Å; F256-F301 PolarHBondContact N-O 3Å
302	A	97.9	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.3	172.7	0	0	0	0	0	112.1	D131 L132 L134 F256 F282 L290 F305	D131-A302 WeakPolarHBondContact CA-O 3.33Å; L132-A302 PolarHBondContact N-O 3Å; L132-A302 PolarHBondContact O-N 3.3Å; L134-A302 HydrophobicContact CD1-CB 3.8Å; L134-A302 HydrophobicContact CD2-CB 3.76Å; L134-A302 HydrophobicContact CG-CB 3.72Å; F256-A302 HydrophobicContact CB-CB 4.09Å; F256-A302 HydrophobicContact CD1-CB 4.44Å; F256-A302 CarbonylContact O-C 3.56Å; F256-A302 WeakPolarHBondContact O-CA 3.38Å; F256-A302 WeakPolarHBondContact O-CB 3.44Å; F282-A302 HydrophobicContact CE2-CB 3.95Å; F282-A302 HydrophobicContact CZ-CB 4.48Å; L290-A302 HydrophobicContact CD2-CB 4.14Å; A302-F305 HydrophobicContact CB-CE2 3.79Å; A302-F305 HydrophobicContact CB-CZ 4.04Å; A302-F305 VanDerWaalsContact O-CE2 3.29Å; A302-F305 WeakPolarHBondContact O-CE2 3.25Å
303	R	97.7	Very high	93.6	Very high	26 Å²	26	35.9 Å²	35.9	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.4	174.7	63	-178.9	-62.5	-101.1	3	112.7	W199 F256 V257 N258 F282	W199-R303 VanDerWaalsContact CE2-CZ 3.43Å; F256-R303 PolarHBondContact O-N 3.27Å; V257-R303 WeakPolarHBondContact CA-O 3.17Å; V257-R303 HydrophobicContact CB-CG 4.44Å; V257-R303 HydrophobicContact CG1-CG 4.16Å; V257-R303 HydrophobicContact CG2-CG 3.93Å; N258-R303 PolarHBondContact N-O 3.09Å; F282-R303 VanDerWaalsContact CE2-O 3.31Å; F282-R303 WeakPolarHBondContact CE2-O 3.22Å
304	K	96.8	Very high	93.7	Very high	62 Å²	62	33.8 Å²	33.8	27%	0.27	18%	0.177	S	C	.	.			cis	-104.8	151.9	4.5	-67.2	-176.4	61.6	179.3	0	112.5	S130 P279 L280 V281 F282	S130-K304 WeakPolarHBondContact OG-CE 3.4Å; P279-K304 HydrophobicContact CB-CG 4.36Å; L280-K304 PolarHBondContact O-N 3.44Å; V281-K304 CarbonylContact C-O 3.49Å; V281-K304 VanDerWaalsContact CA-O 3.3Å; V281-K304 WeakPolarHBondContact CA-O 3.4Å; V281-K304 HydrophobicContact CG2-CB 4.22Å; F282-K304 PolarHBondContact N-O 3.13Å
305	F	96.5	Very high	93.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.018	18%	0.178	C	C	.	.			trans	-117	137.3	169	-63.2	-84.3	0	0	0	109.6	S130 L132 F282 L290 A302 I313 I314 V317	S130-F305 WeakPolarHBondContact CB-O 3.43Å; S130-F305 PolarHBondContact O-N 3.12Å; L132-F305 HydrophobicContact CB-CD2 3.71Å; L132-F305 HydrophobicContact CB-CE2 3.64Å; L132-F305 HydrophobicContact CB-CG 4.45Å; L132-F305 HydrophobicContact CB-CZ 4.34Å; L132-F305 HydrophobicContact CD1-CB 4.03Å; L132-F305 HydrophobicContact CD1-CD1 3.85Å; L132-F305 HydrophobicContact CD1-CD2 3.71Å; L132-F305 HydrophobicContact CD1-CE1 4.22Å; L132-F305 HydrophobicContact CD1-CE2 4.08Å; L132-F305 HydrophobicContact CD1-CG 3.58Å; L132-F305 HydrophobicContact CD1-CZ 4.33Å; L132-F305 HydrophobicContact CG-CB 4.28Å; L132-F305 HydrophobicContact CG-CD2 3.59Å; L132-F305 HydrophobicContact CG-CE2 4.03Å; L132-F305 HydrophobicContact CG-CG 3.92Å; F282-F305 HydrophobicContact CB-CD1 4.16Å; F282-F305 HydrophobicContact CB-CE1 3.84Å; F282-F305 HydrophobicContact CB-CZ 4.49Å; F282-F305 HydrophobicContact CD2-CD1 4.48Å; F282-F305 AromaticContact CD2-CE1 3.94Å; F282-F305 HydrophobicContact CD2-CE1 3.94Å; F282-F305 HydrophobicContact CD2-CE2 4.12Å; F282-F305 AromaticContact CD2-CZ 3.75Å; F282-F305 HydrophobicContact CD2-CZ 3.75Å; F282-F305 HydrophobicContact CE2-CZ 4.34Å; F282-F305 HydrophobicContact CG-CE1 4.19Å; F282-F305 HydrophobicContact CG-CZ 4.35Å; L290-F305 HydrophobicContact CD1-CE1 4.25Å; L290-F305 HydrophobicContact CD1-CZ 4.41Å; L290-F305 HydrophobicContact CD2-CZ 4.31Å; A302-F305 HydrophobicContact CB-CE2 3.79Å; A302-F305 HydrophobicContact CB-CZ 4.04Å; A302-F305 VanDerWaalsContact O-CE2 3.29Å; A302-F305 WeakPolarHBondContact O-CE2 3.25Å; F305-I313 HydrophobicContact CD1-CG2 4.33Å; F305-I313 HydrophobicContact CE1-CG1 4.12Å; F305-I314 HydrophobicContact CB-CD1 4.15Å; F305-I314 HydrophobicContact CB-CG1 4Å; F305-I314 HydrophobicContact CD1-CG1 4.12Å; F305-I314 HydrophobicContact CG-CG1 4.42Å; F305-V317 HydrophobicContact CE1-CG2 3.98Å; F305-V317 HydrophobicContact CZ-CG2 4.11Å
306	D	94.5	Very high	93.8	Very high	50 Å²	50	32.9 Å²	32.9	27%	0.267	16%	0.16	S	C	.	.			trans	-139.9	112.9	175.8	-173.1	-25.2	0	0	0	109.7	V281 M308 I309 D310	V281-D306 HydrophobicContact CG1-CB 3.92Å; V281-D306 HydrophobicContact CG2-CB 3.89Å; D306-M308 PolarHBondContact O-N 3.47Å; D306-M308 WeakPolarHBondContact OD1-CB 3.33Å; D306-M308 PolarHBondContact OD1-N 2.99Å; D306-I309 HydrophobicContact CB-CB 4.23Å; D306-I309 HydrophobicContact CB-CD1 4.06Å; D306-I309 HydrophobicContact CB-CG1 4.27Å; D306-I309 PolarHBondContact O-N 3.07Å; D306-I309 VanDerWaalsContact O-N 3.07Å; D306-D310 PolarHBondContact O-N 2.99Å
307	P	92.4	Very high	93.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.2	-179.2	28.2	-37.1	0	0	0	114.1	Q51 I309 L311 I314 Y333 R390	Q51-P307 HydrophobicContact CB-CG 4.14Å; Q51-P307 HydrophobicContact CG-CG 4.48Å; P307-I309 VanDerWaalsContact C-N 3.33Å; P307-L311 HydrophobicContact CB-CD1 3.54Å; P307-I314 HydrophobicContact CB-CD1 3.78Å; P307-I314 HydrophobicContact CG-CD1 4.34Å; P307-Y333 HydrophobicContact CB-CD1 3.78Å; P307-Y333 HydrophobicContact CB-CD2 3.77Å; P307-Y333 HydrophobicContact CB-CE1 3.71Å; P307-Y333 HydrophobicContact CB-CE2 3.7Å; P307-Y333 HydrophobicContact CB-CG 3.82Å; P307-Y333 HydrophobicContact CG-CD1 3.94Å; P307-Y333 HydrophobicContact CG-CD2 4.2Å; P307-Y333 HydrophobicContact CG-CE1 3.33Å; P307-Y333 HydrophobicContact CG-CE2 3.62Å; P307-Y333 HydrophobicContact CG-CG 4.35Å; P307-Y333 WeakPolarHBondContact CG-OH 3.5Å; P307-R390 WeakPolarHBondContact O-CD 3.31Å
308	M	90.5	Very high	93.9	Very high	32 Å²	32	21.5 Å²	21.5	16%	0.158	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.9	172.9	-68.7	-58.8	-59.1	0	0	111.7	D306 Y333 Q335 L388 R390 V396	D306-M308 PolarHBondContact O-N 3.47Å; D306-M308 WeakPolarHBondContact OD1-CB 3.33Å; D306-M308 PolarHBondContact OD1-N 2.99Å; M308-Y333 HydrophobicContact CG-CD1 4.29Å; M308-Y333 HydrophobicContact CG-CE1 4.12Å; M308-Y333 HydrophobicContact SD-CD1 3.59Å; M308-Y333 VanDerWaalsContact SD-CD1 3.59Å; M308-Y333 HydrophobicContact SD-CE1 3.88Å; M308-Q335 HydrophobicContact SD-CB 4.32Å; M308-L388 HydrophobicContact CE-CB 3.69Å; M308-L388 HydrophobicContact CE-CD1 4.16Å; M308-L388 HydrophobicContact SD-CB 4.43Å; M308-R390 HydrophobicContact CE-CB 4.13Å; M308-R390 VanDerWaalsContact O-CD 3.28Å; M308-R390 WeakPolarHBondContact O-CD 3.42Å; M308-R390 PolarHBondContact O-NE 2.84Å; M308-R390 HydrophobicContact SD-CB 4.22Å; M308-V396 HydrophobicContact CE-CG1 3.94Å; M308-V396 HydrophobicContact CE-CG2 3.99Å
309	I	90.8	Very high	93.8	Very high	71 Å²	71	24.7 Å²	24.7	36%	0.364	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-58.4	176.3	-68	169.7	0	0	0	110	V281 D306 P307 R390	V281-I309 HydrophobicContact CB-CD1 4.09Å; V281-I309 HydrophobicContact CB-CG2 4.46Å; V281-I309 HydrophobicContact CG1-CB 4.12Å; V281-I309 HydrophobicContact CG1-CD1 4.3Å; V281-I309 HydrophobicContact CG1-CG2 4.01Å; V281-I309 HydrophobicContact CG2-CD1 3.8Å; D306-I309 HydrophobicContact CB-CB 4.23Å; D306-I309 HydrophobicContact CB-CD1 4.06Å; D306-I309 HydrophobicContact CB-CG1 4.27Å; D306-I309 PolarHBondContact O-N 3.07Å; D306-I309 VanDerWaalsContact O-N 3.07Å; P307-I309 VanDerWaalsContact C-N 3.33Å; I309-R390 PolarHBondContact O-NH2 3.23Å
310	D	91.5	Very high	93.6	Very high	22 Å²	22	27.7 Å²	27.7	12%	0.118	13%	0.133	C	C	.	.			trans	-146.2	98.1	-177.3	-164.8	-31.2	0	0	0	111.1	R283 L284 D306 A312 I313	R283-D310 VanDerWaalsContact CA-OD2 3.25Å; R283-D310 WeakPolarHBondContact CA-OD2 3.5Å; R283-D310 WeakPolarHBondContact CB-OD2 3.4Å; R283-D310 HydrophobicContact CG-CB 4.4Å; L284-D310 PolarHBondContact N-OD2 2.77Å; D306-D310 PolarHBondContact O-N 2.99Å; D310-A312 VanDerWaalsContact C-N 3.34Å; D310-A312 WeakPolarHBondContact OD1-CB 3.46Å; D310-A312 PolarHBondContact OD1-N 2.84Å; D310-I313 HydrophobicContact CB-CG2 3.88Å; D310-I313 VanDerWaalsContact O-CG2 3.25Å; D310-I313 WeakPolarHBondContact O-CG2 3.32Å; D310-I313 PolarHBondContact OD1-N 3.04Å; D310-I313 VanDerWaalsContact OD1-N 3.08Å
311	L	91.3	Very high	93.2	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-71.7	-30.7	174.6	-169.1	68.7	0	0	0	112.2	P307 I313 I314 E315 S330 Y333	P307-L311 HydrophobicContact CB-CD1 3.54Å; L311-I313 VanDerWaalsContact C-N 3.34Å; L311-I313 PolarHBondContact O-N 3.27Å; L311-I314 WeakPolarHBondContact O-CB 3.17Å; L311-I314 PolarHBondContact O-N 2.99Å; L311-I314 VanDerWaalsContact O-N 3.15Å; L311-E315 HydrophobicContact CG-CG 4.45Å; L311-E315 PolarHBondContact O-N 2.92Å; L311-S330 WeakPolarHBondContact CD2-O 3.41Å; L311-Y333 HydrophobicContact CD1-CD2 3.99Å; L311-Y333 HydrophobicContact CD1-CG 4.22Å
312	A	91.1	Very high	92.7	Very high	37 Å²	37	32.2 Å²	32.2	31%	0.306	16%	0.157	S	C	.	.	H	α-helix	trans	-68.7	-35.2	-171.1	0	0	0	0	0	111.6	L284 D310 I314 E315 K316	L284-A312 HydrophobicContact CD1-CB 4.4Å; L284-A312 HydrophobicContact CD2-CB 4.18Å; D310-A312 VanDerWaalsContact C-N 3.34Å; D310-A312 WeakPolarHBondContact OD1-CB 3.46Å; D310-A312 PolarHBondContact OD1-N 2.84Å; A312-I314 VanDerWaalsContact C-N 3.34Å; A312-E315 PolarHBondContact O-N 2.83Å; A312-K316 WeakPolarHBondContact O-CB 3.37Å; A312-K316 PolarHBondContact O-N 2.85Å
313	I	93.9	Very high	92	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-35.5	173.5	-172.7	58.2	0	0	0	112.6	F282 R283 L290 F305 D310 L311 K316 V317	F282-I313 HydrophobicContact CB-CG1 4.29Å; F282-I313 WeakPolarHBondContact O-CG2 3.43Å; R283-I313 WeakPolarHBondContact O-CD1 3.48Å; L290-I313 HydrophobicContact CD1-CD1 3.65Å; L290-I313 HydrophobicContact CD1-CG1 3.93Å; F305-I313 HydrophobicContact CD1-CG2 4.33Å; F305-I313 HydrophobicContact CE1-CG1 4.12Å; D310-I313 HydrophobicContact CB-CG2 3.88Å; D310-I313 VanDerWaalsContact O-CG2 3.25Å; D310-I313 WeakPolarHBondContact O-CG2 3.32Å; D310-I313 PolarHBondContact OD1-N 3.04Å; D310-I313 VanDerWaalsContact OD1-N 3.08Å; L311-I313 VanDerWaalsContact C-N 3.34Å; L311-I313 PolarHBondContact O-N 3.27Å; I313-K316 HydrophobicContact CD1-CB 4.39Å; I313-K316 WeakPolarHBondContact O-CB 3.39Å; I313-K316 PolarHBondContact O-N 3.41Å; I313-V317 WeakPolarHBondContact O-CG2 3.37Å; I313-V317 PolarHBondContact O-N 3.14Å
314	I	94	Very high	90.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-46.4	176.6	-63.4	171.3	0	0	0	109.5	L132 F305 P307 L311 A312 K316 V317 E318	L132-I314 HydrophobicContact CD1-CB 4.27Å; L132-I314 HydrophobicContact CD1-CG1 4.09Å; L132-I314 HydrophobicContact CD1-CG2 3.88Å; F305-I314 HydrophobicContact CB-CD1 4.15Å; F305-I314 HydrophobicContact CB-CG1 4Å; F305-I314 HydrophobicContact CD1-CG1 4.12Å; F305-I314 HydrophobicContact CG-CG1 4.42Å; P307-I314 HydrophobicContact CB-CD1 3.78Å; P307-I314 HydrophobicContact CG-CD1 4.34Å; L311-I314 WeakPolarHBondContact O-CB 3.17Å; L311-I314 PolarHBondContact O-N 2.99Å; L311-I314 VanDerWaalsContact O-N 3.15Å; A312-I314 VanDerWaalsContact C-N 3.34Å; I314-K316 VanDerWaalsContact C-N 3.25Å; I314-K316 PolarHBondContact O-N 2.88Å; I314-V317 PolarHBondContact O-N 3.28Å; I314-E318 WeakPolarHBondContact O-CG 3.38Å; I314-E318 PolarHBondContact O-N 3.09Å
315	E	91.8	Very high	89	Confident	23 Å²	23	44.4 Å²	44.4	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-30	176.2	-67.5	-179.3	168.6	0	0	112.4	R54 L311 A312 R319 S330	R54-E315 IonicContact NH1-OE1 2.68Å; R54-E315 IonicContact NH2-OE1 2.67Å; R54-E315 PolarHBondContact NH2-OE1 3.18Å; R54-E315 VanDerWaalsContact NH2-OE1 3.15Å; L311-E315 HydrophobicContact CG-CG 4.45Å; L311-E315 PolarHBondContact O-N 2.92Å; A312-E315 PolarHBondContact O-N 2.83Å; E315-R319 WeakPolarHBondContact O-CB 3.2Å; E315-R319 VanDerWaalsContact O-CG 3.28Å; E315-R319 WeakPolarHBondContact O-CG 3.27Å; E315-R319 PolarHBondContact O-N 3.19Å; E315-R319 PolarHBondContact O-NE 3.03Å; E315-S330 PolarHBondContact OE1-N 3.27Å; E315-S330 VanDerWaalsContact OE1-N 3.11Å
316	K	92.4	Very high	87.3	Confident	56 Å²	56	51.4 Å²	51.4	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-47.1	171.6	178.5	64.9	176.5	174.4	0	111.2	L284 E291 A312 I313 I314 R319 M320	L284-K316 HydrophobicContact CD1-CB 4.45Å; E291-K316 WeakPolarHBondContact OE1-CE 3.16Å; E291-K316 IonicContact OE1-NZ 2.65Å; E291-K316 PolarHBondContact OE1-NZ 3.45Å; A312-K316 WeakPolarHBondContact O-CB 3.37Å; A312-K316 PolarHBondContact O-N 2.85Å; I313-K316 HydrophobicContact CD1-CB 4.39Å; I313-K316 WeakPolarHBondContact O-CB 3.39Å; I313-K316 PolarHBondContact O-N 3.41Å; I314-K316 VanDerWaalsContact C-N 3.25Å; I314-K316 PolarHBondContact O-N 2.88Å; K316-R319 PolarHBondContact O-N 3.03Å; K316-M320 HydrophobicContact CG-SD 4.32Å; K316-M320 VanDerWaalsContact O-CG 3.28Å; K316-M320 WeakPolarHBondContact O-CG 3.22Å; K316-M320 PolarHBondContact O-N 3.16Å
317	V	93.7	Very high	85.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-42.9	175.9	172.7	0	0	0	0	111.3	L132 P133 F305 I313 I314 R319 M320 L321	L132-V317 HydrophobicContact CB-CG1 4.19Å; L132-V317 HydrophobicContact CD1-CB 4.36Å; L132-V317 HydrophobicContact CD1-CG1 4.22Å; P133-V317 VanDerWaalsContact O-CG1 3.26Å; P133-V317 WeakPolarHBondContact O-CG1 3.12Å; F305-V317 HydrophobicContact CE1-CG2 3.98Å; F305-V317 HydrophobicContact CZ-CG2 4.11Å; I313-V317 WeakPolarHBondContact O-CG2 3.37Å; I313-V317 PolarHBondContact O-N 3.14Å; I314-V317 PolarHBondContact O-N 3.28Å; V317-R319 VanDerWaalsContact C-N 3.34Å; V317-R319 PolarHBondContact O-N 3.18Å; V317-M320 WeakPolarHBondContact O-CB 3.34Å; V317-M320 PolarHBondContact O-N 3.07Å; V317-L321 HydrophobicContact CG1-CD1 4.46Å; V317-L321 PolarHBondContact O-N 2.98Å
318	E	92.3	Very high	84.3	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.019	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-45.4	174.3	-76.3	-178.7	-179.3	0	0	111.9	R54 M58 I314 M320 L321 L322	R54-E318 VanDerWaalsContact CB-OE1 3.27Å; R54-E318 WeakPolarHBondContact CB-OE1 3.08Å; R54-E318 WeakPolarHBondContact CD-OE1 3.48Å; R54-E318 WeakPolarHBondContact CG-OE1 3.32Å; R54-E318 IonicContact NE-OE1 2.88Å; M58-E318 HydrophobicContact CE-CG 3.84Å; M58-E318 HydrophobicContact SD-CB 4.32Å; M58-E318 HydrophobicContact SD-CG 3.69Å; I314-E318 WeakPolarHBondContact O-CG 3.38Å; I314-E318 PolarHBondContact O-N 3.09Å; E318-M320 VanDerWaalsContact C-N 3.33Å; E318-M320 PolarHBondContact O-N 3.1Å; E318-L321 PolarHBondContact O-N 3.07Å; E318-L322 WeakPolarHBondContact O-CB 3.4Å; E318-L322 PolarHBondContact O-N 2.87Å
319	R	91.1	Very high	83	Confident	112 Å²	112	58.2 Å²	58.2	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-35.8	177.1	-77.3	-178.9	-69	170.3	-2.4	112.8	E315 K316 V317 L321 G323 S327	E315-R319 WeakPolarHBondContact O-CB 3.2Å; E315-R319 VanDerWaalsContact O-CG 3.28Å; E315-R319 WeakPolarHBondContact O-CG 3.27Å; E315-R319 PolarHBondContact O-N 3.19Å; E315-R319 PolarHBondContact O-NE 3.03Å; K316-R319 PolarHBondContact O-N 3.03Å; V317-R319 VanDerWaalsContact C-N 3.34Å; V317-R319 PolarHBondContact O-N 3.18Å; R319-L321 PolarHBondContact O-N 2.8Å; R319-G323 WeakPolarHBondContact O-CA 3.22Å; R319-G323 PolarHBondContact O-N 3.46Å; R319-G323 VanDerWaalsContact O-N 3.14Å; R319-S327 WeakPolarHBondContact CG-OG 3.45Å
320	M	90.2	Very high	81.9	Confident	63 Å²	63	56.2 Å²	56.2	31%	0.31	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-32.4	175.7	-71	164.4	56	0	0	111.9	E291 K316 V317 E318	E291-M320 HydrophobicContact CB-CE 4.28Å; E291-M320 HydrophobicContact CG-CE 3.51Å; E291-M320 HydrophobicContact CG-CG 4.44Å; E291-M320 HydrophobicContact CG-SD 3.58Å; E291-M320 VanDerWaalsContact CG-SD 3.58Å; K316-M320 HydrophobicContact CG-SD 4.32Å; K316-M320 VanDerWaalsContact O-CG 3.28Å; K316-M320 WeakPolarHBondContact O-CG 3.22Å; K316-M320 PolarHBondContact O-N 3.16Å; V317-M320 WeakPolarHBondContact O-CB 3.34Å; V317-M320 PolarHBondContact O-N 3.07Å; E318-M320 VanDerWaalsContact C-N 3.33Å; E318-M320 PolarHBondContact O-N 3.1Å
321	L	89.7	Confident	80.9	Confident	47 Å²	47	58.9 Å²	58.9	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-95.5	-43.1	-176.1	-72.8	177.7	0	0	0	114.8	M58 P133 K135 V317 E318 R319	M58-L321 HydrophobicContact CB-CD1 4.45Å; M58-L321 HydrophobicContact CG-CD1 4.46Å; M58-L321 HydrophobicContact SD-CD1 3.82Å; P133-L321 HydrophobicContact CB-CD1 3.76Å; P133-L321 HydrophobicContact CG-CD1 3.51Å; P133-L321 VanDerWaalsContact O-CD1 3.27Å; P133-L321 WeakPolarHBondContact O-CD1 3.17Å; K135-L321 VanDerWaalsContact C-CD2 3.5Å; V317-L321 HydrophobicContact CG1-CD1 4.46Å; V317-L321 PolarHBondContact O-N 2.98Å; E318-L321 PolarHBondContact O-N 3.07Å; R319-L321 PolarHBondContact O-N 2.8Å
322	L	87.5	Confident	80.5	Confident	56 Å²	56	59.2 Å²	59.2	29%	0.293	32%	0.319	S	S	.	.	H	α-helix	trans	-100.7	-8.3	-172	-57.1	-179.9	0	0	0	113.1	M58 E318 K326	M58-L322 HydrophobicContact CG-CD1 4.01Å; M58-L322 HydrophobicContact CG-CG 4.25Å; E318-L322 WeakPolarHBondContact O-CB 3.4Å; E318-L322 PolarHBondContact O-N 2.87Å; L322-K326 HydrophobicContact CB-CB 3.91Å
323	G	81.9	Confident	80.4	Confident	33 Å²	33	57.7 Å²	57.7	34%	0.34	31%	0.305	S	S	.	.			trans	77.2	168.4	-170.3	0	0	0	0	0	113.1	R319 S325 K326	R319-G323 WeakPolarHBondContact O-CA 3.22Å; R319-G323 PolarHBondContact O-N 3.46Å; R319-G323 VanDerWaalsContact O-N 3.14Å; G323-S325 VanDerWaalsContact C-N 3.34Å; G323-S325 PolarHBondContact O-N 2.94Å; G323-K326 PolarHBondContact O-N 2.91Å
324	K	70.8	Confident	80.1	Confident	189 Å²	189	60.4 Å²	60.4	82%	0.822	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.9	-38.8	-175	-69.1	-178.2	-179.3	176.6	0	113.2	K326 S327	K324-K326 VanDerWaalsContact C-N 3.25Å; K324-K326 PolarHBondContact O-N 2.75Å; K324-S327 PolarHBondContact O-N 3.04Å
325	S	60.4	Low	79.9	Confident	123 Å²	123	61.9 Å²	61.9	86%	0.86	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-68.4	-19.3	-173	-174.5	0	0	0	0	114.5	G323	G323-S325 VanDerWaalsContact C-N 3.34Å; G323-S325 PolarHBondContact O-N 2.94Å
326	K	62.7	Low	79.7	Confident	150 Å²	150	61.9 Å²	61.9	65%	0.652	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-110	-1.6	-174.6	-67.9	-176.3	179	-179.2	0	113.5	L322 G323 K324	L322-K326 HydrophobicContact CB-CB 3.91Å; G323-K326 PolarHBondContact O-N 2.91Å; K324-K326 VanDerWaalsContact C-N 3.25Å; K324-K326 PolarHBondContact O-N 2.75Å
327	S	60.5	Low	79.3	Confident	25 Å²	25	61.5 Å²	61.5	18%	0.175	32%	0.324	C	S	.	.			trans	-80.8	130.6	179.6	178	0	0	0	0	110.9	R319 K324 S329	R319-S327 WeakPolarHBondContact CG-OG 3.45Å; K324-S327 PolarHBondContact O-N 3.04Å; S327-S329 PolarHBondContact O-N 3.39Å
328	F	63	Low	78.8	Confident	106 Å²	106	63.2 Å²	63.2	47%	0.465	33%	0.33	S	S	.	.			trans	-82.7	98	172.8	-83.4	-99.2	0	0	0	109	R54 S330	R54-F328 PolarHBondContact NH2-O 3.46Å; F328-S330 PolarHBondContact O-N 2.93Å; F328-S330 VanDerWaalsContact O-N 3.14Å
329	S	62.5	Low	78.4	Confident	96 Å²	96	64.4 Å²	64.4	67%	0.671	34%	0.335	S	S	*	.			trans	-74.4	99.8	165.2	-178.7	0	0	0	0	108.5	S327	S327-S329 PolarHBondContact O-N 3.39Å
330	S	66.9	Low	77.9	Confident	29 Å²	29	62 Å²	62	20%	0.203	33%	0.329	C	S	.	.			trans	-106.2	119.5	169.8	-171.8	0	0	0	0	108.3	L311 E315 F328 F332	L311-S330 WeakPolarHBondContact CD2-O 3.41Å; E315-S330 PolarHBondContact OE1-N 3.27Å; E315-S330 VanDerWaalsContact OE1-N 3.11Å; F328-S330 PolarHBondContact O-N 2.93Å; F328-S330 VanDerWaalsContact O-N 3.14Å; S330-F332 WeakPolarHBondContact CB-O 3.28Å; S330-F332 PolarHBondContact O-N 3.28Å; S330-F332 PolarHBondContact OG-O 2.93Å
331	T	70.9	Confident	77.6	Confident	79 Å²	79	63 Å²	63	49%	0.485	34%	0.335	S	S	.	.	S	Bend	trans	-66.1	-19	178.2	56.6	0	0	0	0	111.6	P392	T331-P392 WeakPolarHBondContact O-CD 3.28Å; T331-P392 WeakPolarHBondContact O-CG 3.48Å
332	F	82.7	Confident	76.9	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.057	33%	0.329	C	S	.	.			trans	-125.5	153.3	178	53.8	-88.6	0	0	0	111.8	S330 L389 R390 T467 L471	S330-F332 WeakPolarHBondContact CB-O 3.28Å; S330-F332 PolarHBondContact O-N 3.28Å; S330-F332 PolarHBondContact OG-O 2.93Å; F332-L389 HydrophobicContact CB-CD1 4.17Å; F332-L389 HydrophobicContact CD2-CD1 4.34Å; F332-R390 VanDerWaalsContact CA-O 3.24Å; F332-R390 WeakPolarHBondContact CA-O 3.46Å; F332-R390 WeakPolarHBondContact CB-O 3.37Å; F332-T467 HydrophobicContact CD1-CG2 4.29Å; F332-T467 HydrophobicContact CE1-CG2 4.46Å; F332-L471 HydrophobicContact CD2-CD2 3.92Å; F332-L471 HydrophobicContact CE1-CG 4.36Å; F332-L471 HydrophobicContact CE2-CD2 3.52Å; F332-L471 HydrophobicContact CE2-CG 4.05Å; F332-L471 HydrophobicContact CZ-CD2 3.95Å; F332-L471 HydrophobicContact CZ-CG 3.94Å
333	Y	89	Confident	75.8	Confident	5 Å²	5	68.6 Å²	68.6	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.6	168.8	179.3	-98	0	0	0	109.1	R50 P307 M308 L311 Q335 L389 R390	R50-Y333 HydrophobicContact CB-CD2 4.5Å; R50-Y333 HydrophobicContact CB-CE2 3.61Å; P307-Y333 HydrophobicContact CB-CD1 3.78Å; P307-Y333 HydrophobicContact CB-CD2 3.77Å; P307-Y333 HydrophobicContact CB-CE1 3.71Å; P307-Y333 HydrophobicContact CB-CE2 3.7Å; P307-Y333 HydrophobicContact CB-CG 3.82Å; P307-Y333 HydrophobicContact CG-CD1 3.94Å; P307-Y333 HydrophobicContact CG-CD2 4.2Å; P307-Y333 HydrophobicContact CG-CE1 3.33Å; P307-Y333 HydrophobicContact CG-CE2 3.62Å; P307-Y333 HydrophobicContact CG-CG 4.35Å; P307-Y333 WeakPolarHBondContact CG-OH 3.5Å; M308-Y333 HydrophobicContact CG-CD1 4.29Å; M308-Y333 HydrophobicContact CG-CE1 4.12Å; M308-Y333 HydrophobicContact SD-CD1 3.59Å; M308-Y333 VanDerWaalsContact SD-CD1 3.59Å; M308-Y333 HydrophobicContact SD-CE1 3.88Å; L311-Y333 HydrophobicContact CD1-CD2 3.99Å; L311-Y333 HydrophobicContact CD1-CG 4.22Å; Y333-Q335 HydrophobicContact CE1-CB 3.78Å; Y333-Q335 PolarHBondContact OH-OE1 3.28Å; Y333-L389 CarbonylContact O-C 3.56Å; Y333-R390 PolarHBondContact N-O 3.02Å; Y333-R390 PolarHBondContact O-N 3.3Å
334	W	89	Confident	74.4	Confident	59 Å²	59	72.9 Å²	72.9	22%	0.223	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.2	174	61.4	-105.9	0	0	0	112.1	R50 T387 L388 L389	R50-W334 WeakPolarHBondContact CD-O 3.48Å; R50-W334 VanDerWaalsContact NE-CD2 3.3Å; R50-W334 VanDerWaalsContact NH2-NE1 3.17Å; W334-T387 HydrophobicContact CB-CG2 3.8Å; W334-T387 HydrophobicContact CD2-CG2 4.22Å; W334-T387 HydrophobicContact CE3-CG2 3.8Å; W334-T387 HydrophobicContact CG-CG2 4.31Å; W334-L388 CarbonylContact C-O 3.57Å; W334-L388 WeakPolarHBondContact CA-O 3.43Å; W334-L388 WeakPolarHBondContact CB-O 3.49Å; W334-L389 HydrophobicContact CB-CD1 3.96Å
335	Q	89.5	Confident	73.7	Confident	30 Å²	30	67.8 Å²	67.8	14%	0.14	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	125.8	-175.5	179	167.2	-61.7	0	0	110.1	R47 A48 M308 Y333 D337 T387 L388	R47-Q335 HydrophobicContact CB-CG 4.3Å; A48-Q335 VanDerWaalsContact CB-OE1 3.28Å; M308-Q335 HydrophobicContact SD-CB 4.32Å; Y333-Q335 HydrophobicContact CE1-CB 3.78Å; Y333-Q335 PolarHBondContact OH-OE1 3.28Å; Q335-D337 PolarHBondContact O-N 3.18Å; Q335-T387 CarbonylContact O-C 3.54Å; Q335-T387 VanDerWaalsContact O-CA 3.28Å; Q335-T387 WeakPolarHBondContact O-CA 3.36Å; Q335-L388 PolarHBondContact N-O 3.12Å; Q335-L388 PolarHBondContact O-N 2.98Å
336	N	87.3	Confident	73	Confident	23 Å²	23	67.5 Å²	67.5	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	123.1	169.7	-179.8	-78.2	0	0	0	108.2	R47 Y338 M386	R47-N336 WeakPolarHBondContact CB-O 3.16Å; R47-N336 WeakPolarHBondContact CD-O 3.46Å; R47-N336 PolarHBondContact NH1-OD1 2.76Å; N336-Y338 PolarHBondContact ND2-O 3.01Å; N336-Y338 VanDerWaalsContact OD1-C 3.22Å; N336-Y338 PolarHBondContact OD1-N 2.98Å; N336-Y338 PolarHBondContact OD1-O 2.74Å; N336-Y338 VanDerWaalsContact OD1-O 3.08Å; N336-M386 CarbonylContact C-O 3.6Å; N336-M386 WeakPolarHBondContact CA-O 3.48Å
337	D	83.1	Confident	72.4	Confident	49 Å²	49	62.7 Å²	62.7	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-24.4	176.8	-162.4	58.5	0	0	0	111.4	R47 Q335 M386 L388	R47-D337 PolarHBondContact NE-O 2.89Å; Q335-D337 PolarHBondContact O-N 3.18Å; D337-M386 PolarHBondContact N-O 2.85Å; D337-L388 HydrophobicContact CB-CD1 4.21Å; D337-L388 HydrophobicContact CB-CG 4.07Å
338	Y	83.1	Confident	72	Confident	37 Å²	37	64 Å²	64	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.6	176	161.6	-96.4	0	0	0	111.6	N336 L352 A383 E385 M386	N336-Y338 PolarHBondContact ND2-O 3.01Å; N336-Y338 VanDerWaalsContact OD1-C 3.22Å; N336-Y338 PolarHBondContact OD1-N 2.98Å; N336-Y338 PolarHBondContact OD1-O 2.74Å; N336-Y338 VanDerWaalsContact OD1-O 3.08Å; Y338-L352 HydrophobicContact CD1-CD2 4.36Å; Y338-L352 HydrophobicContact CD2-CD2 3.54Å; Y338-L352 HydrophobicContact CE1-CD2 4.2Å; Y338-L352 HydrophobicContact CE2-CD2 3.35Å; Y338-L352 HydrophobicContact CG-CD2 4.04Å; Y338-A383 HydrophobicContact CE1-CB 4.43Å; Y338-A383 WeakPolarHBondContact CE1-O 3.48Å; Y338-A383 PolarHBondContact OH-O 3.38Å; Y338-E385 CarbonylContact O-C 3.48Å; Y338-E385 VanDerWaalsContact O-CA 3.26Å; Y338-E385 WeakPolarHBondContact O-CA 3.32Å; Y338-M386 HydrophobicContact CD1-CB 4.4Å; Y338-M386 HydrophobicContact CD1-CE 3.79Å; Y338-M386 HydrophobicContact CD1-CG 3.95Å; Y338-M386 HydrophobicContact CD1-SD 3.54Å; Y338-M386 VanDerWaalsContact CD1-SD 3.54Å; Y338-M386 HydrophobicContact CE1-CE 4.02Å; Y338-M386 HydrophobicContact CE1-SD 4.36Å; Y338-M386 HydrophobicContact CG-SD 3.93Å; Y338-M386 PolarHBondContact N-O 2.87Å; Y338-M386 PolarHBondContact O-N 3.02Å
339	H	84.3	Confident	71.9	Confident	28 Å²	28	63.3 Å²	63.3	13%	0.13	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.1	171	-164.1	-69.7	0	0	0	109.3	R47 A74 L341 D342 L384 E385	R47-H339 VanDerWaalsContact NH1-N 3.13Å; A74-H339 HydrophobicContact CB-CB 3.55Å; H339-L341 PolarHBondContact ND1-N 3.05Å; H339-L341 PolarHBondContact O-N 3.42Å; H339-D342 VanDerWaalsContact CB-OD2 3.25Å; H339-D342 WeakPolarHBondContact CB-OD2 3.33Å; H339-D342 PolarHBondContact N-OD2 2.64Å; H339-D342 PolarHBondContact O-N 2.86Å; H339-D342 VanDerWaalsContact O-N 3.11Å; H339-L384 WeakPolarHBondContact CA-O 3.25Å; H339-E385 IonicContact NE2-OE1 3.73Å
340	H	81.1	Confident	72.1	Confident	62 Å²	62	63.3 Å²	63.3	29%	0.287	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.1	-176.3	70.9	-77.8	0	0	0	115.9	L384	H340-L384 PolarHBondContact N-O 3.3Å; H340-L384 PolarHBondContact ND1-O 3.15Å
341	L	83.1	Confident	72.1	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.435	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-14	179.3	-67.8	-179.6	0	0	0	111.9	V73 L77 H339 R343	V73-L341 HydrophobicContact CG1-CB 4.42Å; L77-L341 HydrophobicContact CD1-CD1 3.77Å; H339-L341 PolarHBondContact ND1-N 3.05Å; H339-L341 PolarHBondContact O-N 3.42Å; L341-R343 PolarHBondContact O-N 3.09Å
342	D	75.2	Confident	72	Confident	23 Å²	23	65.9 Å²	65.9	12%	0.123	35%	0.351	C	S	.	.	S	Bend	trans	-72.3	131.6	176.6	-56.2	-52.3	0	0	0	108.4	R47 V73 A74 H339 S344	R47-D342 IonicContact CZ-OD2 2.71Å; R47-D342 IonicContact NH1-OD2 3.37Å; R47-D342 PolarHBondContact NH1-OD2 2.63Å; R47-D342 IonicContact NH2-OD1 3.91Å; R47-D342 IonicContact NH2-OD2 3.46Å; R47-D342 PolarHBondContact NH2-OD2 3.43Å; V73-D342 PolarHBondContact N-OD1 3.12Å; A74-D342 PolarHBondContact N-OD1 3.29Å; H339-D342 VanDerWaalsContact CB-OD2 3.25Å; H339-D342 WeakPolarHBondContact CB-OD2 3.33Å; H339-D342 PolarHBondContact N-OD2 2.64Å; H339-D342 PolarHBondContact O-N 2.86Å; H339-D342 VanDerWaalsContact O-N 3.11Å; D342-S344 PolarHBondContact O-N 3.31Å
343	R	65.2	Low	71.6	Confident	198 Å²	198	69.9 Å²	69.9	75%	0.747	38%	0.376	S	S	*	.			trans	-58	141.1	171	-68.3	-175.5	176.9	177.7	-3.9	107.2	L341 R345	L341-R343 PolarHBondContact O-N 3.09Å; R343-R345 PolarHBondContact O-N 2.91Å
344	S	52.9	Low	70.9	Confident	123 Å²	123	74 Å²	74	86%	0.86	39%	0.394	S	S	*	.			trans	-56.3	79.8	-176.6	60.2	0	0	0	0	111.9	D342	D342-S344 PolarHBondContact O-N 3.31Å
345	R	54.6	Low	69.9	Low	83 Å²	83	72.3 Å²	72.3	31%	0.313	39%	0.389	S	S	.	.			trans	-59.2	144.5	148.4	-83	-178.8	136.8	153.3	8.4	105.2	D71 E72 R343 S347	D71-R345 IonicContact OD2-CZ 2.63Å; D71-R345 IonicContact OD2-NH1 3.97Å; D71-R345 PolarHBondContact OD2-NH1 3.23Å; D71-R345 IonicContact OD2-NH2 2.65Å; D71-R345 PolarHBondContact OD2-NH2 2.77Å; E72-R345 WeakPolarHBondContact OE1-CD 3.2Å; E72-R345 IonicContact OE1-CZ 3.03Å; E72-R345 IonicContact OE1-NE 2.84Å; E72-R345 IonicContact OE1-NH1 3.57Å; E72-R345 PolarHBondContact OE1-NH1 3.2Å; R343-R345 PolarHBondContact O-N 2.91Å; R345-S347 PolarHBondContact O-N 2.78Å
346	S	47.2	Very low	68.9	Low	117 Å²	117	77.3 Å²	77.3	82%	0.818	41%	0.406	S	S	*	.			trans	-63.6	50.4	174.3	61.1	0	0	0	0	112.3	S348	S346-S348 WeakPolarHBondContact O-CA 3.14Å; S346-S348 PolarHBondContact O-N 3.45Å
347	S	48.8	Very low	68.4	Low	49 Å²	49	82.2 Å²	82.2	34%	0.343	42%	0.424	S	S	.	.			trans	-50.8	106.1	149.8	63	0	0	0	0	103.2	R345 S349 L352	R345-S347 PolarHBondContact O-N 2.78Å; S347-S349 PolarHBondContact O-N 2.74Å; S347-L352 WeakPolarHBondContact OG-CD1 3.26Å; S347-L352 WeakPolarHBondContact OG-CG 3.22Å
348	S	52.7	Low	67.7	Low	51 Å²	51	80.5 Å²	80.5	36%	0.357	42%	0.416	S	S	.	.			trans	-49.1	136.5	-162.2	78.1	0	0	0	0	107.1	S346 T350 K351 L352	S346-S348 WeakPolarHBondContact O-CA 3.14Å; S346-S348 PolarHBondContact O-N 3.45Å; S348-T350 CarbonylContact O-C 3.55Å; S348-T350 PolarHBondContact O-N 2.84Å; S348-T350 WeakPolarHBondContact OG-CB 3.29Å; S348-T350 PolarHBondContact OG-OG1 2.82Å; S348-K351 PolarHBondContact O-N 2.84Å; S348-K351 PolarHBondContact OG-N 3.22Å; S348-L352 PolarHBondContact O-N 2.85Å
349	S	59.8	Low	66.9	Low	93 Å²	93	78.9 Å²	78.9	65%	0.65	41%	0.411	S	S	*	.	H	α-helix	trans	-40.8	-34.8	176.4	49	0	0	0	0	110.5	S347 V353	S347-S349 PolarHBondContact O-N 2.74Å; S349-V353 WeakPolarHBondContact O-CB 3.29Å; S349-V353 WeakPolarHBondContact O-CG2 3.5Å; S349-V353 PolarHBondContact O-N 3.44Å
350	T	67.8	Low	66.2	Low	95 Å²	95	80.5 Å²	80.5	58%	0.583	42%	0.42	S	S	*	.	H	α-helix	trans	-51.8	-52.2	168.6	-20.9	0	0	0	0	116.5	S348 V353 F354	S348-T350 CarbonylContact O-C 3.55Å; S348-T350 PolarHBondContact O-N 2.84Å; S348-T350 WeakPolarHBondContact OG-CB 3.29Å; S348-T350 PolarHBondContact OG-OG1 2.82Å; T350-V353 PolarHBondContact O-N 3.27Å; T350-F354 WeakPolarHBondContact O-CB 3.3Å; T350-F354 PolarHBondContact O-N 3.39Å
351	K	67.9	Low	65.8	Low	109 Å²	109	83.4 Å²	83.4	47%	0.474	43%	0.428	S	S	.	.	H	α-helix	trans	-62.2	-48.8	179.8	-78.8	-170.4	177.9	-172.2	0	110.8	S348 V353 F354 F355	S348-K351 PolarHBondContact O-N 2.84Å; S348-K351 PolarHBondContact OG-N 3.22Å; K351-V353 PolarHBondContact O-N 2.79Å; K351-F354 PolarHBondContact O-N 3.28Å; K351-F355 HydrophobicContact CB-CD2 4.27Å; K351-F355 HydrophobicContact CB-CE2 4.07Å; K351-F355 WeakPolarHBondContact O-CB 3.34Å; K351-F355 WeakPolarHBondContact O-CD2 3.4Å; K351-F355 WeakPolarHBondContact O-CG 3.46Å; K351-F355 PolarHBondContact O-N 3.3Å
352	L	68.4	Low	64.9	Low	54 Å²	54	79.6 Å²	79.6	28%	0.283	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-43.6	178.4	-79.2	167.3	0	0	0	111.8	Y338 S347 S348 F355 R356	Y338-L352 HydrophobicContact CD1-CD2 4.36Å; Y338-L352 HydrophobicContact CD2-CD2 3.54Å; Y338-L352 HydrophobicContact CE1-CD2 4.2Å; Y338-L352 HydrophobicContact CE2-CD2 3.35Å; Y338-L352 HydrophobicContact CG-CD2 4.04Å; S347-L352 WeakPolarHBondContact OG-CD1 3.26Å; S347-L352 WeakPolarHBondContact OG-CG 3.22Å; S348-L352 PolarHBondContact O-N 2.85Å; L352-F355 PolarHBondContact O-N 2.96Å; L352-R356 WeakPolarHBondContact O-CB 3.4Å; L352-R356 PolarHBondContact O-N 3.46Å
353	V	74.1	Confident	64.4	Low	96 Å²	96	78.8 Å²	78.8	58%	0.582	40%	0.404	S	S	*	.	H	α-helix	trans	-61.9	-48.3	175.8	167.4	0	0	0	0	110.4	S349 T350 K351 F355 R356 Y357	S349-V353 WeakPolarHBondContact O-CB 3.29Å; S349-V353 WeakPolarHBondContact O-CG2 3.5Å; S349-V353 PolarHBondContact O-N 3.44Å; T350-V353 PolarHBondContact O-N 3.27Å; K351-V353 PolarHBondContact O-N 2.79Å; V353-F355 PolarHBondContact O-N 2.85Å; V353-R356 PolarHBondContact O-N 2.94Å; V353-Y357 WeakPolarHBondContact O-CB 3.49Å; V353-Y357 PolarHBondContact O-N 3.38Å
354	F	73.1	Confident	64.5	Low	92 Å²	92	74.9 Å²	74.9	40%	0.404	40%	0.395	S	S	.	.	H	α-helix	trans	-58.7	-48.1	177.6	172.8	-98	0	0	0	111.3	T350 K351 Y357 A358 F420	T350-F354 WeakPolarHBondContact O-CB 3.3Å; T350-F354 PolarHBondContact O-N 3.39Å; K351-F354 PolarHBondContact O-N 3.28Å; F354-Y357 WeakPolarHBondContact O-CB 3.3Å; F354-Y357 PolarHBondContact O-N 3.05Å; F354-A358 WeakPolarHBondContact O-CB 3.32Å; F354-A358 PolarHBondContact O-N 3.39Å; F354-F420 HydrophobicContact CE1-CZ 4.11Å; F354-F420 AromaticContact CZ-CE1 3.9Å; F354-F420 HydrophobicContact CZ-CE1 3.9Å; F354-F420 AromaticContact CZ-CZ 3.78Å; F354-F420 HydrophobicContact CZ-CZ 3.78Å
355	F	68.7	Low	65.1	Low	24 Å²	24	74.9 Å²	74.9	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-69.8	-38.7	-178.5	-66.3	-46.8	0	0	0	112.3	K351 L352 V353 Y357 A358 A359 M386 L398	K351-F355 HydrophobicContact CB-CD2 4.27Å; K351-F355 HydrophobicContact CB-CE2 4.07Å; K351-F355 WeakPolarHBondContact O-CB 3.34Å; K351-F355 WeakPolarHBondContact O-CD2 3.4Å; K351-F355 WeakPolarHBondContact O-CG 3.46Å; K351-F355 PolarHBondContact O-N 3.3Å; L352-F355 PolarHBondContact O-N 2.96Å; V353-F355 PolarHBondContact O-N 2.85Å; F355-Y357 VanDerWaalsContact C-N 3.31Å; F355-Y357 PolarHBondContact O-N 3.45Å; F355-A358 PolarHBondContact O-N 3.35Å; F355-A359 WeakPolarHBondContact O-CB 3.38Å; F355-A359 PolarHBondContact O-N 2.8Å; F355-M386 HydrophobicContact CB-CE 3.18Å; F355-M386 HydrophobicContact CB-CG 4.21Å; F355-M386 HydrophobicContact CB-SD 3.2Å; F355-M386 WeakPolarHBondContact CB-SD 3.26Å; F355-M386 HydrophobicContact CD1-SD 4.37Å; F355-M386 HydrophobicContact CD2-CE 4.22Å; F355-M386 HydrophobicContact CD2-CG 4.43Å; F355-M386 HydrophobicContact CD2-SD 3.16Å; F355-M386 WeakPolarHBondContact CD2-SD 3.4Å; F355-M386 HydrophobicContact CE2-SD 4.03Å; F355-M386 HydrophobicContact CG-CE 4.07Å; F355-M386 HydrophobicContact CG-CG 4.34Å; F355-M386 HydrophobicContact CG-SD 3.36Å; F355-M386 WeakPolarHBondContact CG-SD 3.5Å; F355-L398 HydrophobicContact CD1-CD1 4.13Å; F355-L398 HydrophobicContact CD1-CD2 3.34Å; F355-L398 HydrophobicContact CD1-CG 4.38Å; F355-L398 HydrophobicContact CE1-CD1 3.76Å; F355-L398 HydrophobicContact CE1-CD2 3.62Å; F355-L398 HydrophobicContact CE1-CG 4.32Å; F355-L398 HydrophobicContact CG-CD2 4.39Å; F355-L398 HydrophobicContact CZ-CD1 4.34Å
356	R	69.5	Low	65.5	Low	135 Å²	135	71.9 Å²	71.9	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-42.5	171.6	-170.7	178.1	-171.2	-178.1	4.3	110.5	L352 V353 A359 L360 D381	L352-R356 WeakPolarHBondContact O-CB 3.4Å; L352-R356 PolarHBondContact O-N 3.46Å; V353-R356 PolarHBondContact O-N 2.94Å; R356-A359 WeakPolarHBondContact O-CB 3.27Å; R356-A359 PolarHBondContact O-N 2.8Å; R356-L360 HydrophobicContact CG-CD1 4.15Å; R356-L360 HydrophobicContact CG-CG 4.47Å; R356-L360 WeakPolarHBondContact O-CB 3.48Å; R356-L360 WeakPolarHBondContact O-CG 3.09Å; R356-L360 PolarHBondContact O-N 2.87Å; R356-D381 PolarHBondContact NH2-O 3.29Å
357	Y	75.4	Confident	66.1	Low	125 Å²	125	69.1 Å²	69.1	49%	0.49	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-49.1	175.6	176.8	-93	0	0	0	111.9	V353 F354 F355 A359 L360 R361	V353-Y357 WeakPolarHBondContact O-CB 3.49Å; V353-Y357 PolarHBondContact O-N 3.38Å; F354-Y357 WeakPolarHBondContact O-CB 3.3Å; F354-Y357 PolarHBondContact O-N 3.05Å; F355-Y357 VanDerWaalsContact C-N 3.31Å; F355-Y357 PolarHBondContact O-N 3.45Å; Y357-A359 VanDerWaalsContact C-N 3.31Å; Y357-A359 PolarHBondContact O-N 3.15Å; Y357-L360 PolarHBondContact O-N 2.89Å; Y357-R361 HydrophobicContact CD1-CG 4.05Å; Y357-R361 HydrophobicContact CD2-CG 4.34Å; Y357-R361 HydrophobicContact CE1-CG 3.59Å; Y357-R361 HydrophobicContact CE2-CG 3.95Å; Y357-R361 HydrophobicContact CG-CG 4.4Å; Y357-R361 WeakPolarHBondContact O-CB 3.22Å; Y357-R361 WeakPolarHBondContact O-CG 3.4Å; Y357-R361 PolarHBondContact O-N 3.43Å; Y357-R361 PolarHBondContact OH-NE 2.91Å; Y357-R361 PolarHBondContact OH-NH2 3.45Å
358	A	69.2	Low	66.3	Low	13 Å²	13	72 Å²	72	11%	0.107	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-41.8	178.5	0	0	0	0	0	111.8	F354 F355 T362	F354-A358 WeakPolarHBondContact O-CB 3.32Å; F354-A358 PolarHBondContact O-N 3.39Å; F355-A358 PolarHBondContact O-N 3.35Å; A358-T362 VanDerWaalsContact O-CB 3.28Å; A358-T362 WeakPolarHBondContact O-CB 3.36Å; A358-T362 PolarHBondContact O-N 2.89Å; A358-T362 PolarHBondContact O-OG1 3.32Å
359	A	67	Low	66.3	Low	3 Å²	3	74 Å²	74	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-56.5	-54.5	171.5	0	0	0	0	0	112.6	F355 R356 Y357 T362 I363 T400 I402	F355-A359 WeakPolarHBondContact O-CB 3.38Å; F355-A359 PolarHBondContact O-N 2.8Å; R356-A359 WeakPolarHBondContact O-CB 3.27Å; R356-A359 PolarHBondContact O-N 2.8Å; Y357-A359 VanDerWaalsContact C-N 3.31Å; Y357-A359 PolarHBondContact O-N 3.15Å; A359-T362 WeakPolarHBondContact O-CB 3.23Å; A359-T362 PolarHBondContact O-N 3.29Å; A359-I363 WeakPolarHBondContact O-CG1 3.23Å; A359-I363 PolarHBondContact O-N 3.26Å; A359-I363 VanDerWaalsContact O-N 3.08Å; A359-T400 HydrophobicContact CB-CG2 4.13Å; A359-I402 HydrophobicContact CB-CD1 3.21Å; A359-I402 HydrophobicContact CB-CG1 3.83Å
360	L	69.2	Low	65.9	Low	62 Å²	62	72.7 Å²	72.7	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-46	-179	-69.9	174.8	0	0	0	112	R356 Y357 T362 I363 Q364 P380	R356-L360 HydrophobicContact CG-CD1 4.15Å; R356-L360 HydrophobicContact CG-CG 4.47Å; R356-L360 WeakPolarHBondContact O-CB 3.48Å; R356-L360 WeakPolarHBondContact O-CG 3.09Å; R356-L360 PolarHBondContact O-N 2.87Å; Y357-L360 PolarHBondContact O-N 2.89Å; L360-T362 VanDerWaalsContact C-N 3.27Å; L360-T362 PolarHBondContact O-N 2.97Å; L360-I363 PolarHBondContact O-N 3.24Å; L360-Q364 WeakPolarHBondContact O-CG 3.27Å; L360-Q364 PolarHBondContact O-N 3.29Å; L360-P380 HydrophobicContact CD2-CB 3.65Å; L360-P380 HydrophobicContact CD2-CG 3.25Å
361	R	71.1	Confident	64.9	Low	123 Å²	123	72 Å²	72	46%	0.464	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-38.6	176.7	-80.4	-61.3	-160.8	-176.2	3.6	112.3	Y357 K365	Y357-R361 HydrophobicContact CD1-CG 4.05Å; Y357-R361 HydrophobicContact CD2-CG 4.34Å; Y357-R361 HydrophobicContact CE1-CG 3.59Å; Y357-R361 HydrophobicContact CE2-CG 3.95Å; Y357-R361 HydrophobicContact CG-CG 4.4Å; Y357-R361 WeakPolarHBondContact O-CB 3.22Å; Y357-R361 WeakPolarHBondContact O-CG 3.4Å; Y357-R361 PolarHBondContact O-N 3.43Å; Y357-R361 PolarHBondContact OH-NE 2.91Å; Y357-R361 PolarHBondContact OH-NH2 3.45Å; R361-K365 PolarHBondContact O-N 3.41Å; R361-K365 VanDerWaalsContact O-N 3.13Å
362	T	64.8	Low	64.1	Low	4 Å²	4	72.8 Å²	72.8	3%	0.025	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-48.2	175.6	-69.7	0	0	0	0	111.7	A358 A359 L360 Q364 K365 A366 I416 I435 V437	A358-T362 VanDerWaalsContact O-CB 3.28Å; A358-T362 WeakPolarHBondContact O-CB 3.36Å; A358-T362 PolarHBondContact O-N 2.89Å; A358-T362 PolarHBondContact O-OG1 3.32Å; A359-T362 WeakPolarHBondContact O-CB 3.23Å; A359-T362 PolarHBondContact O-N 3.29Å; L360-T362 VanDerWaalsContact C-N 3.27Å; L360-T362 PolarHBondContact O-N 2.97Å; T362-Q364 VanDerWaalsContact C-N 3.26Å; T362-Q364 PolarHBondContact O-N 3.38Å; T362-K365 PolarHBondContact O-N 3.44Å; T362-A366 WeakPolarHBondContact O-CB 3.02Å; T362-A366 PolarHBondContact O-N 2.88Å; T362-I416 HydrophobicContact CG2-CB 3.92Å; T362-I416 HydrophobicContact CG2-CD1 3.42Å; T362-I416 VanDerWaalsContact CG2-CD1 3.42Å; T362-I416 HydrophobicContact CG2-CG1 3.39Å; T362-I416 HydrophobicContact CG2-CG2 3.35Å; T362-I435 HydrophobicContact CG2-CD1 4.47Å; T362-I435 HydrophobicContact CG2-CG2 3.17Å; T362-V437 HydrophobicContact CG2-CG2 3.54Å
363	I	65.9	Low	63.2	Low	5 Å²	5	81 Å²	81	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-60.5	-42.4	-178.4	-71.1	174.8	0	0	0	110.4	A359 L360 K365 A366 M367 P380 I402 W414 I416	A359-I363 WeakPolarHBondContact O-CG1 3.23Å; A359-I363 PolarHBondContact O-N 3.26Å; A359-I363 VanDerWaalsContact O-N 3.08Å; L360-I363 PolarHBondContact O-N 3.24Å; I363-K365 VanDerWaalsContact C-N 3.3Å; I363-K365 PolarHBondContact O-N 2.86Å; I363-A366 PolarHBondContact O-N 2.92Å; I363-A366 VanDerWaalsContact O-N 3.13Å; I363-M367 HydrophobicContact CG2-CE 3.22Å; I363-M367 HydrophobicContact CG2-CG 4.03Å; I363-M367 HydrophobicContact CG2-SD 3.7Å; I363-M367 WeakPolarHBondContact O-CB 3.37Å; I363-M367 VanDerWaalsContact O-CG 3.3Å; I363-M367 WeakPolarHBondContact O-CG 3.37Å; I363-M367 PolarHBondContact O-N 3.08Å; I363-P380 HydrophobicContact CB-CG 4.47Å; I363-P380 HydrophobicContact CD1-CB 3.55Å; I363-P380 HydrophobicContact CD1-CG 3.98Å; I363-P380 HydrophobicContact CG2-CG 4.15Å; I363-I402 HydrophobicContact CD1-CB 4.36Å; I363-I402 HydrophobicContact CD1-CD1 3.56Å; I363-I402 HydrophobicContact CD1-CG2 4.01Å; I363-I402 HydrophobicContact CG1-CD1 4.28Å; I363-W414 HydrophobicContact CD1-CD2 3.98Å; I363-W414 HydrophobicContact CD1-CE3 3.4Å; I363-W414 VanDerWaalsContact CD1-CE3 3.4Å; I363-W414 HydrophobicContact CD1-CZ3 3.79Å; I363-W414 HydrophobicContact CG1-CE3 4.37Å; I363-I416 HydrophobicContact CD1-CD1 4.29Å; I363-I416 HydrophobicContact CG1-CD1 3.8Å
364	Q	66.5	Low	62.3	Low	117 Å²	117	86.3 Å²	86.3	55%	0.547	41%	0.407	S	S	.	.	H	α-helix	trans	-57.1	-41.7	174.2	-73.9	178.3	-15.7	0	0	112.5	L360 T362 P368	L360-Q364 WeakPolarHBondContact O-CG 3.27Å; L360-Q364 PolarHBondContact O-N 3.29Å; T362-Q364 VanDerWaalsContact C-N 3.26Å; T362-Q364 PolarHBondContact O-N 3.38Å; Q364-P368 VanDerWaalsContact O-CD 3.29Å; Q364-P368 WeakPolarHBondContact O-CD 3.45Å
365	K	65.6	Low	61.4	Low	122 Å²	122	87.9 Å²	87.9	53%	0.53	43%	0.427	S	S	.	.	H	α-helix	trans	-71.4	-29.7	176.6	-76.9	-176.9	170.8	-172.5	0	113.5	R361 T362 I363 I435	R361-K365 PolarHBondContact O-N 3.41Å; R361-K365 VanDerWaalsContact O-N 3.13Å; T362-K365 PolarHBondContact O-N 3.44Å; I363-K365 VanDerWaalsContact C-N 3.3Å; I363-K365 PolarHBondContact O-N 2.86Å; K365-I435 HydrophobicContact CB-CD1 4.23Å; K365-I435 HydrophobicContact CD-CD1 3.54Å; K365-I435 HydrophobicContact CG-CD1 4.47Å
366	A	63	Low	61	Low	20 Å²	20	88.3 Å²	88.3	17%	0.165	43%	0.432	C	S	.	.	H	α-helix	trans	-91.4	-27.7	-174.2	0	0	0	0	0	114.5	T362 I363 P368 I369 V437	T362-A366 WeakPolarHBondContact O-CB 3.02Å; T362-A366 PolarHBondContact O-N 2.88Å; I363-A366 PolarHBondContact O-N 2.92Å; I363-A366 VanDerWaalsContact O-N 3.13Å; A366-P368 VanDerWaalsContact C-CD 3.47Å; A366-I369 PolarHBondContact O-N 2.97Å; A366-V437 HydrophobicContact CB-CB 3.84Å; A366-V437 HydrophobicContact CB-CG1 4.16Å; A366-V437 HydrophobicContact CB-CG2 3.26Å
367	M	60.2	Low	60.7	Low	60 Å²	60	91.9 Å²	91.9	30%	0.296	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-56.1	-40.9	-179.4	-84.3	175.5	170.1	0	0	115.1	I363 I369 S370 C378	I363-M367 HydrophobicContact CG2-CE 3.22Å; I363-M367 HydrophobicContact CG2-CG 4.03Å; I363-M367 HydrophobicContact CG2-SD 3.7Å; I363-M367 WeakPolarHBondContact O-CB 3.37Å; I363-M367 VanDerWaalsContact O-CG 3.3Å; I363-M367 WeakPolarHBondContact O-CG 3.37Å; I363-M367 PolarHBondContact O-N 3.08Å; M367-I369 PolarHBondContact O-N 3.46Å; M367-I369 VanDerWaalsContact O-N 3.15Å; M367-S370 PolarHBondContact O-N 3.41Å; M367-C378 HydrophobicContact CE-CB 3.36Å; M367-C378 WeakPolarHBondContact CE-O 3.21Å
368	P	52.5	Low	60.4	Low	108 Å²	108	86.8 Å²	86.8	70%	0.701	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-65.4	-15.6	177.5	-20.3	32.4	0	0	0	113.9	Q364 A366	Q364-P368 VanDerWaalsContact O-CD 3.29Å; Q364-P368 WeakPolarHBondContact O-CD 3.45Å; A366-P368 VanDerWaalsContact C-CD 3.47Å
369	I	53	Low	60.6	Low	95 Å²	95	93.3 Å²	93.3	49%	0.487	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-99.7	-1.7	-171.3	-38.2	179.6	0	0	0	111.4	A366 M367 C371 L455	A366-I369 PolarHBondContact O-N 2.97Å; M367-I369 PolarHBondContact O-N 3.46Å; M367-I369 VanDerWaalsContact O-N 3.15Å; I369-C371 PolarHBondContact O-N 3.49Å; I369-L455 HydrophobicContact CB-CD1 4.05Å; I369-L455 HydrophobicContact CG2-CB 4.31Å; I369-L455 HydrophobicContact CG2-CD1 3.78Å; I369-L455 HydrophobicContact CG2-CD2 4.13Å; I369-L455 HydrophobicContact CG2-CG 4.28Å; I369-L455 VanDerWaalsContact O-CD1 3.24Å; I369-L455 WeakPolarHBondContact O-CD1 3.28Å
370	S	50.6	Low	60.8	Low	64 Å²	64	94.5 Å²	94.5	45%	0.448	46%	0.463	S	S	.	.			trans	-71.9	113	178.7	-174.8	0	0	0	0	111.3	M367 Q372	M367-S370 PolarHBondContact O-N 3.41Å; S370-Q372 PolarHBondContact O-N 2.66Å
371	C	47.1	Very low	61.1	Low	82 Å²	82	96.1 Å²	96.1	55%	0.554	47%	0.472	S	S	*	.			trans	-68.3	43.5	-172.7	-51.4	0	0	0	0	116.4	I369	I369-C371 PolarHBondContact O-N 3.49Å
372	Q	50.8	Low	61.3	Low	125 Å²	125	94.8 Å²	94.8	58%	0.584	47%	0.47	S	S	*	.	S	Bend	trans	-106.5	138.6	166.9	-70.5	-169.4	-12	0	0	109.6	S370 R374 V376	S370-Q372 PolarHBondContact O-N 2.66Å; Q372-R374 PolarHBondContact O-N 3.12Å; Q372-V376 HydrophobicContact CB-CG2 4.5Å
373	K	50.5	Low	61.8	Low	225 Å²	225	95 Å²	95	98%	0.978	47%	0.472	S	S	*	.	S	Bend	trans	-57.9	-4.8	177.3	-76.4	-175	174.8	-177.1	0	113.8
374	R	54.7	Low	62.5	Low	208 Å²	208	96.6 Å²	96.6	79%	0.785	48%	0.48	S	S	*	.	S	Bend	trans	-128.2	135	172	-68.1	-175.8	177.7	-177.4	-0.3	109.2	Q372 V376	Q372-R374 PolarHBondContact O-N 3.12Å; R374-V376 PolarHBondContact O-N 3.46Å
375	P	55	Low	63.4	Low	126 Å²	126	93.4 Å²	93.4	82%	0.818	47%	0.465	S	S	*	.			trans	-63.1	109.8	176.5	24.9	-31.5	0	0	0	109	R377	P375-R377 PolarHBondContact O-N 3.45Å
376	V	58.4	Low	64.1	Low	33 Å²	33	87.6 Å²	87.6	20%	0.2	44%	0.44	C	S	.	.			trans	-70.5	102.6	169.2	-174.6	0	0	0	0	106.7	Q372 R374 C378 C406	Q372-V376 HydrophobicContact CB-CG2 4.5Å; R374-V376 PolarHBondContact O-N 3.46Å; V376-C378 VanDerWaalsContact CG1-SG 3.56Å; V376-C378 PolarHBondContact O-N 2.96Å; V376-C378 VanDerWaalsContact O-N 3.14Å; V376-C406 HydrophobicContact CG1-CB 3.8Å
377	R	64.7	Low	65.3	Low	210 Å²	210	87.3 Å²	87.3	79%	0.792	44%	0.436	S	S	*	.			trans	-74.4	103.6	172.9	-168.3	-179.4	-75.1	179.3	-3.2	107.1	P375 S407	P375-R377 PolarHBondContact O-N 3.45Å; R377-S407 PolarHBondContact O-N 2.92Å; R377-S407 VanDerWaalsContact O-N 3.1Å
378	C	68.2	Low	66.5	Low	18 Å²	18	86.3 Å²	86.3	12%	0.122	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	151.8	165.7	-40.1	0	0	0	0	110.6	M367 V376 N405 C406 W414	M367-C378 HydrophobicContact CE-CB 3.36Å; M367-C378 WeakPolarHBondContact CE-O 3.21Å; V376-C378 VanDerWaalsContact CG1-SG 3.56Å; V376-C378 PolarHBondContact O-N 2.96Å; V376-C378 VanDerWaalsContact O-N 3.14Å; C378-N405 CarbonylContact C-O 3.52Å; C378-N405 WeakPolarHBondContact CA-O 3.33Å; C378-N405 WeakPolarHBondContact CB-O 3.33Å; C378-C406 HydrophobicContact CB-CB 3.82Å; C378-C406 WeakPolarHBondContact CB-SG 3.36Å; C378-C406 WeakPolarHBondContact SG-CB 3.12Å; C378-C406 CovalentContact SG-SG 2.03Å; C378-C406 PolarHBondContact SG-SG 2.92Å; C378-W414 HydrophobicContact CB-CH2 3.55Å; C378-W414 HydrophobicContact CB-CZ2 3.4Å
379	Q	72.8	Confident	68.2	Low	150 Å²	150	81.3 Å²	81.3	70%	0.701	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.1	175.3	-173.1	171.8	-5.4	0	0	107.7	G404 N405	Q379-G404 CarbonylContact O-C 3.53Å; Q379-G404 WeakPolarHBondContact O-CA 3.19Å; Q379-N405 PolarHBondContact N-O 3.41Å; Q379-N405 PolarHBondContact O-N 3.32Å
380	P	72.4	Confident	69.8	Low	28 Å²	28	78.9 Å²	78.9	18%	0.182	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	142.5	169.8	24.8	-31.5	0	0	0	111.3	L360 I363 I402 W414	L360-P380 HydrophobicContact CD2-CB 3.65Å; L360-P380 HydrophobicContact CD2-CG 3.25Å; I363-P380 HydrophobicContact CB-CG 4.47Å; I363-P380 HydrophobicContact CD1-CB 3.55Å; I363-P380 HydrophobicContact CD1-CG 3.98Å; I363-P380 HydrophobicContact CG2-CG 4.15Å; P380-I402 HydrophobicContact CB-CG2 3.89Å; P380-W414 HydrophobicContact CB-CZ3 4.08Å
381	D	75.1	Confident	71.3	Confident	95 Å²	95	76.9 Å²	76.9	51%	0.508	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-71.9	-176.3	166.8	37.1	0	0	0	109.9	R356 S403	R356-D381 PolarHBondContact NH2-O 3.29Å; D381-S403 PolarHBondContact N-O 3.16Å; D381-S403 PolarHBondContact OD2-OG 3.22Å
382	K	75.6	Confident	72.8	Confident	95 Å²	95	77.1 Å²	77.1	41%	0.413	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.7	-172.2	-171	178.2	178.1	-178.9	0	112.1	L384 I402 S403	K382-L384 PolarHBondContact O-N 2.92Å; K382-I402 CarbonylContact O-C 3.58Å; K382-I402 WeakPolarHBondContact O-CA 3.14Å; K382-S403 PolarHBondContact N-O 2.94Å; K382-S403 PolarHBondContact N-OG 3.27Å; K382-S403 PolarHBondContact O-N 3.42Å; K382-S403 PolarHBondContact O-OG 3.16Å; K382-S403 VanDerWaalsContact O-OG 3.13Å
383	A	76.2	Confident	74	Confident	8 Å²	8	75.7 Å²	75.7	7%	0.066	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.8	166.1	0	0	0	0	0	109.2	Y338 M386 T400 L401	Y338-A383 HydrophobicContact CE1-CB 4.43Å; Y338-A383 WeakPolarHBondContact CE1-O 3.48Å; Y338-A383 PolarHBondContact OH-O 3.38Å; A383-M386 HydrophobicContact CB-CE 3.41Å; A383-M386 VanDerWaalsContact CB-CE 3.41Å; A383-T400 HydrophobicContact CB-CG2 4.27Å; A383-L401 CarbonylContact C-O 3.59Å
384	L	80.3	Confident	75.1	Confident	39 Å²	39	66.8 Å²	66.8	20%	0.204	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-41.2	-179.7	-63.4	-177.3	0	0	0	111.9	H339 H340 K382 L401	H339-L384 WeakPolarHBondContact CA-O 3.25Å; H340-L384 PolarHBondContact N-O 3.3Å; H340-L384 PolarHBondContact ND1-O 3.15Å; K382-L384 PolarHBondContact O-N 2.92Å; L384-L401 HydrophobicContact CB-CB 4.43Å; L384-L401 HydrophobicContact CB-CD2 4.12Å; L384-L401 HydrophobicContact CB-CG 4.28Å; L384-L401 HydrophobicContact CD1-CD2 4.29Å; L384-L401 HydrophobicContact CD1-CG 4.49Å; L384-L401 PolarHBondContact N-O 3.01Å
385	E	84.1	Confident	76.3	Confident	50 Å²	50	59 Å²	59	23%	0.234	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.8	-177.8	-57.6	178.4	-146.9	0	0	110.9	Y338 H339 T400 L401	Y338-E385 CarbonylContact O-C 3.48Å; Y338-E385 VanDerWaalsContact O-CA 3.26Å; Y338-E385 WeakPolarHBondContact O-CA 3.32Å; H339-E385 IonicContact NE2-OE1 3.73Å; E385-T400 CarbonylContact O-C 3.43Å; E385-T400 WeakPolarHBondContact O-CA 3.47Å; E385-L401 HydrophobicContact CB-CB 3.79Å; E385-L401 HydrophobicContact CB-CD2 4.37Å; E385-L401 HydrophobicContact CG-CB 4.34Å; E385-L401 HydrophobicContact CG-CD2 4.01Å; E385-L401 PolarHBondContact N-O 3.49Å; E385-L401 PolarHBondContact O-N 3.24Å; E385-L401 WeakPolarHBondContact OE1-CD2 3.49Å
386	M	81.7	Confident	77.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.9	167.8	-62.3	151.2	-169.7	0	0	108.2	N336 D337 Y338 F355 A383 L398 L399 T400	N336-M386 CarbonylContact C-O 3.6Å; N336-M386 WeakPolarHBondContact CA-O 3.48Å; D337-M386 PolarHBondContact N-O 2.85Å; Y338-M386 HydrophobicContact CD1-CB 4.4Å; Y338-M386 HydrophobicContact CD1-CE 3.79Å; Y338-M386 HydrophobicContact CD1-CG 3.95Å; Y338-M386 HydrophobicContact CD1-SD 3.54Å; Y338-M386 VanDerWaalsContact CD1-SD 3.54Å; Y338-M386 HydrophobicContact CE1-CE 4.02Å; Y338-M386 HydrophobicContact CE1-SD 4.36Å; Y338-M386 HydrophobicContact CG-SD 3.93Å; Y338-M386 PolarHBondContact N-O 2.87Å; Y338-M386 PolarHBondContact O-N 3.02Å; F355-M386 HydrophobicContact CB-CE 3.18Å; F355-M386 HydrophobicContact CB-CG 4.21Å; F355-M386 HydrophobicContact CB-SD 3.2Å; F355-M386 WeakPolarHBondContact CB-SD 3.26Å; F355-M386 HydrophobicContact CD1-SD 4.37Å; F355-M386 HydrophobicContact CD2-CE 4.22Å; F355-M386 HydrophobicContact CD2-CG 4.43Å; F355-M386 HydrophobicContact CD2-SD 3.16Å; F355-M386 WeakPolarHBondContact CD2-SD 3.4Å; F355-M386 HydrophobicContact CE2-SD 4.03Å; F355-M386 HydrophobicContact CG-CE 4.07Å; F355-M386 HydrophobicContact CG-CG 4.34Å; F355-M386 HydrophobicContact CG-SD 3.36Å; F355-M386 WeakPolarHBondContact CG-SD 3.5Å; A383-M386 HydrophobicContact CB-CE 3.41Å; A383-M386 VanDerWaalsContact CB-CE 3.41Å; M386-L398 HydrophobicContact CB-CD1 4.18Å; M386-L399 CarbonylContact C-O 3.51Å; M386-L399 WeakPolarHBondContact CA-O 3.17Å; M386-T400 HydrophobicContact CE-CG2 4.45Å; M386-T400 HydrophobicContact CG-CG2 3.82Å
387	T	86.4	Confident	78.7	Confident	14 Å²	14	54.2 Å²	54.2	9%	0.086	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.5	-174.1	-68.7	0	0	0	0	108.9	W334 Q335 L399	W334-T387 HydrophobicContact CB-CG2 3.8Å; W334-T387 HydrophobicContact CD2-CG2 4.22Å; W334-T387 HydrophobicContact CE3-CG2 3.8Å; W334-T387 HydrophobicContact CG-CG2 4.31Å; Q335-T387 CarbonylContact O-C 3.54Å; Q335-T387 VanDerWaalsContact O-CA 3.28Å; Q335-T387 WeakPolarHBondContact O-CA 3.36Å; T387-L399 HydrophobicContact CG2-CD1 4.37Å; T387-L399 PolarHBondContact N-O 3.43Å; T387-L399 WeakPolarHBondContact O-CA 3.49Å; T387-L399 WeakPolarHBondContact O-CB 3.44Å; T387-L399 PolarHBondContact O-N 2.79Å
388	L	87	Confident	79.4	Confident	38 Å²	38	44.4 Å²	44.4	20%	0.199	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.1	171.5	-58.5	176.2	0	0	0	108.5	M308 W334 Q335 D337 V396 L398	M308-L388 HydrophobicContact CE-CB 3.69Å; M308-L388 HydrophobicContact CE-CD1 4.16Å; M308-L388 HydrophobicContact SD-CB 4.43Å; W334-L388 CarbonylContact C-O 3.57Å; W334-L388 WeakPolarHBondContact CA-O 3.43Å; W334-L388 WeakPolarHBondContact CB-O 3.49Å; Q335-L388 PolarHBondContact N-O 3.12Å; Q335-L388 PolarHBondContact O-N 2.98Å; D337-L388 HydrophobicContact CB-CD1 4.21Å; D337-L388 HydrophobicContact CB-CG 4.07Å; L388-V396 HydrophobicContact CB-CG1 3.91Å; L388-V396 HydrophobicContact CD2-CG1 4.11Å; L388-V396 HydrophobicContact CG-CG1 4.47Å; L388-L398 HydrophobicContact CD2-CD1 4Å
389	L	88	Confident	80.1	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	105.8	176.4	175.8	66.5	0	0	0	109.1	F332 Y333 W334 L391 V396 D397 L399	F332-L389 HydrophobicContact CB-CD1 4.17Å; F332-L389 HydrophobicContact CD2-CD1 4.34Å; Y333-L389 CarbonylContact O-C 3.56Å; W334-L389 HydrophobicContact CB-CD1 3.96Å; L389-L391 HydrophobicContact CD2-CD2 4.03Å; L389-L391 HydrophobicContact CG-CD2 4.06Å; L389-V396 CarbonylContact O-C 3.59Å; L389-V396 WeakPolarHBondContact O-CA 2.98Å; L389-D397 HydrophobicContact CB-CB 4.48Å; L389-D397 PolarHBondContact N-O 3.22Å; L389-D397 PolarHBondContact O-N 3.13Å; L389-L399 HydrophobicContact CB-CD1 4.11Å; L389-L399 HydrophobicContact CB-CG 4.1Å; L389-L399 HydrophobicContact CD2-CD1 4.24Å; L389-L399 HydrophobicContact CD2-CD2 4.39Å; L389-L399 HydrophobicContact CD2-CG 4.42Å
390	R	85.7	Confident	80.2	Confident	44 Å²	44	37.5 Å²	37.5	17%	0.166	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122	173.2	-173	178.3	-171.5	-79.4	7.3	110	P307 M308 I309 F332 Y333	P307-R390 WeakPolarHBondContact O-CD 3.31Å; M308-R390 HydrophobicContact CE-CB 4.13Å; M308-R390 VanDerWaalsContact O-CD 3.28Å; M308-R390 WeakPolarHBondContact O-CD 3.42Å; M308-R390 PolarHBondContact O-NE 2.84Å; M308-R390 HydrophobicContact SD-CB 4.22Å; I309-R390 PolarHBondContact O-NH2 3.23Å; F332-R390 VanDerWaalsContact CA-O 3.24Å; F332-R390 WeakPolarHBondContact CA-O 3.46Å; F332-R390 WeakPolarHBondContact CB-O 3.37Å; Y333-R390 PolarHBondContact N-O 3.02Å; Y333-R390 PolarHBondContact O-N 3.3Å
391	L	82.2	Confident	80.6	Confident	22 Å²	22	37.3 Å²	37.3	12%	0.115	22%	0.218	C	C	.	.			trans	-90.8	164.5	178.4	-64.7	-176.5	0	0	0	111.9	L389 S393 G394 S395 D397	L389-L391 HydrophobicContact CD2-CD2 4.03Å; L389-L391 HydrophobicContact CG-CD2 4.06Å; L391-S393 PolarHBondContact O-N 2.84Å; L391-G394 PolarHBondContact O-N 3.46Å; L391-S395 PolarHBondContact N-O 3.35Å; L391-D397 WeakPolarHBondContact CD1-OD2 3.44Å
392	P	78	Confident	80.7	Confident	88 Å²	88	32.9 Å²	32.9	57%	0.571	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.7	177.1	-22.9	30.7	0	0	0	113.5	T331 G394	T331-P392 WeakPolarHBondContact O-CD 3.28Å; T331-P392 WeakPolarHBondContact O-CG 3.48Å; P392-G394 PolarHBondContact O-N 3.03Å
393	S	76.4	Confident	80.9	Confident	94 Å²	94	29 Å²	29	66%	0.657	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.4	175.8	50.2	0	0	0	0	113.6	L391 S395	L391-S393 PolarHBondContact O-N 2.84Å; S393-S395 VanDerWaalsContact C-N 3.28Å; S393-S395 PolarHBondContact OG-N 3.45Å; S393-S395 PolarHBondContact OG-OG 3.03Å
394	G	74.7	Confident	80.9	Confident	39 Å²	39	28.6 Å²	28.6	40%	0.402	18%	0.176	S	C	.	.	S	Bend	trans	85.7	-7.4	-171.6	0	0	0	0	0	113.9	L391 P392	L391-G394 PolarHBondContact O-N 3.46Å; P392-G394 PolarHBondContact O-N 3.03Å
395	S	79.6	Confident	80.6	Confident	44 Å²	44	31.2 Å²	31.2	31%	0.308	19%	0.19	S	C	.	.			trans	-68.3	150.8	172.1	62	0	0	0	0	110.9	L391 S393	L391-S395 PolarHBondContact N-O 3.35Å; S393-S395 VanDerWaalsContact C-N 3.28Å; S393-S395 PolarHBondContact OG-N 3.45Å; S393-S395 PolarHBondContact OG-OG 3.03Å
396	V	80.5	Confident	79.9	Confident	57 Å²	57	29.5 Å²	29.5	35%	0.345	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116	177.8	-179.5	0	0	0	0	108.4	M308 L388 L389	M308-V396 HydrophobicContact CE-CG1 3.94Å; M308-V396 HydrophobicContact CE-CG2 3.99Å; L388-V396 HydrophobicContact CB-CG1 3.91Å; L388-V396 HydrophobicContact CD2-CG1 4.11Å; L388-V396 HydrophobicContact CG-CG1 4.47Å; L389-V396 CarbonylContact O-C 3.59Å; L389-V396 WeakPolarHBondContact O-CA 2.98Å
397	D	82.9	Confident	79.3	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.3	173.1	-68.9	-4.1	0	0	0	109	L389 L391 E417 S418 R419	L389-D397 HydrophobicContact CB-CB 4.48Å; L389-D397 PolarHBondContact N-O 3.22Å; L389-D397 PolarHBondContact O-N 3.13Å; L391-D397 WeakPolarHBondContact CD1-OD2 3.44Å; D397-E417 HydrophobicContact CB-CG 4.06Å; D397-S418 WeakPolarHBondContact CA-O 3.49Å; D397-R419 WeakPolarHBondContact OD1-CG 3.08Å; D397-R419 IonicContact OD1-NE 3.76Å; D397-R419 IonicContact OD2-CZ 3.63Å; D397-R419 IonicContact OD2-NE 3.07Å; D397-R419 PolarHBondContact OD2-NE 2.93Å; D397-R419 VanDerWaalsContact OD2-NE 3.07Å; D397-R419 IonicContact OD2-NH2 3.27Å; D397-R419 PolarHBondContact OD2-NH2 3.19Å
398	L	79.2	Confident	78.1	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.2	177.3	179.3	72.1	0	0	0	109.8	F355 M386 L388 E417 S418 F420	F355-L398 HydrophobicContact CD1-CD1 4.13Å; F355-L398 HydrophobicContact CD1-CD2 3.34Å; F355-L398 HydrophobicContact CD1-CG 4.38Å; F355-L398 HydrophobicContact CE1-CD1 3.76Å; F355-L398 HydrophobicContact CE1-CD2 3.62Å; F355-L398 HydrophobicContact CE1-CG 4.32Å; F355-L398 HydrophobicContact CG-CD2 4.39Å; F355-L398 HydrophobicContact CZ-CD1 4.34Å; M386-L398 HydrophobicContact CB-CD1 4.18Å; L388-L398 HydrophobicContact CD2-CD1 4Å; L398-E417 CarbonylContact O-C 3.56Å; L398-E417 VanDerWaalsContact O-CA 3.3Å; L398-E417 WeakPolarHBondContact O-CA 3.47Å; L398-S418 PolarHBondContact N-O 3.03Å; L398-S418 PolarHBondContact O-N 3.19Å; L398-F420 HydrophobicContact CB-CE2 4.44Å
399	L	82.4	Confident	76.9	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.8	169.9	-59.8	-179.5	0	0	0	109.7	M386 T387 L389 T415 I416 E417	M386-L399 CarbonylContact C-O 3.51Å; M386-L399 WeakPolarHBondContact CA-O 3.17Å; T387-L399 HydrophobicContact CG2-CD1 4.37Å; T387-L399 PolarHBondContact N-O 3.43Å; T387-L399 WeakPolarHBondContact O-CA 3.49Å; T387-L399 WeakPolarHBondContact O-CB 3.44Å; T387-L399 PolarHBondContact O-N 2.79Å; L389-L399 HydrophobicContact CB-CD1 4.11Å; L389-L399 HydrophobicContact CB-CG 4.1Å; L389-L399 HydrophobicContact CD2-CD1 4.24Å; L389-L399 HydrophobicContact CD2-CD2 4.39Å; L389-L399 HydrophobicContact CD2-CG 4.42Å; L399-T415 HydrophobicContact CB-CG2 4.31Å; L399-T415 HydrophobicContact CD2-CG2 4.32Å; L399-I416 CarbonylContact C-O 3.58Å; L399-I416 WeakPolarHBondContact CA-O 3.43Å; L399-E417 HydrophobicContact CD2-CB 3.78Å; L399-E417 HydrophobicContact CD2-CG 4.01Å
400	T	76.5	Confident	75.3	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.5	177.8	-48.6	0	0	0	0	111.8	A359 A383 E385 M386 I402 T415 I416	A359-T400 HydrophobicContact CB-CG2 4.13Å; A383-T400 HydrophobicContact CB-CG2 4.27Å; E385-T400 CarbonylContact O-C 3.43Å; E385-T400 WeakPolarHBondContact O-CA 3.47Å; M386-T400 HydrophobicContact CE-CG2 4.45Å; M386-T400 HydrophobicContact CG-CG2 3.82Å; T400-I402 HydrophobicContact CG2-CD1 4.27Å; T400-I402 HydrophobicContact CG2-CG1 3.8Å; T400-T415 VanDerWaalsContact O-CA 3.26Å; T400-T415 WeakPolarHBondContact O-CA 3.27Å; T400-I416 PolarHBondContact N-O 3.39Å; T400-I416 PolarHBondContact O-N 3.46Å
401	L	80.5	Confident	74	Confident	23 Å²	23	50.1 Å²	50.1	12%	0.12	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.7	169.5	-167.3	69.4	0	0	0	109.9	A383 L384 E385 A413 W414	A383-L401 CarbonylContact C-O 3.59Å; L384-L401 HydrophobicContact CB-CB 4.43Å; L384-L401 HydrophobicContact CB-CD2 4.12Å; L384-L401 HydrophobicContact CB-CG 4.28Å; L384-L401 HydrophobicContact CD1-CD2 4.29Å; L384-L401 HydrophobicContact CD1-CG 4.49Å; L384-L401 PolarHBondContact N-O 3.01Å; E385-L401 HydrophobicContact CB-CB 3.79Å; E385-L401 HydrophobicContact CB-CD2 4.37Å; E385-L401 HydrophobicContact CG-CB 4.34Å; E385-L401 HydrophobicContact CG-CD2 4.01Å; E385-L401 PolarHBondContact N-O 3.49Å; E385-L401 PolarHBondContact O-N 3.24Å; E385-L401 WeakPolarHBondContact OE1-CD2 3.49Å; L401-A413 HydrophobicContact CD1-CB 3.63Å; L401-A413 HydrophobicContact CG-CB 4.24Å; L401-W414 WeakPolarHBondContact CA-O 3.39Å
402	I	75.8	Confident	73	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.3	-175.6	-58.4	157.9	0	0	0	109.9	A359 I363 P380 K382 T400 A413 W414 I416	A359-I402 HydrophobicContact CB-CD1 3.21Å; A359-I402 HydrophobicContact CB-CG1 3.83Å; I363-I402 HydrophobicContact CD1-CB 4.36Å; I363-I402 HydrophobicContact CD1-CD1 3.56Å; I363-I402 HydrophobicContact CD1-CG2 4.01Å; I363-I402 HydrophobicContact CG1-CD1 4.28Å; P380-I402 HydrophobicContact CB-CG2 3.89Å; K382-I402 CarbonylContact O-C 3.58Å; K382-I402 WeakPolarHBondContact O-CA 3.14Å; T400-I402 HydrophobicContact CG2-CD1 4.27Å; T400-I402 HydrophobicContact CG2-CG1 3.8Å; I402-A413 VanDerWaalsContact O-CA 3.26Å; I402-A413 WeakPolarHBondContact O-CA 3.4Å; I402-W414 HydrophobicContact CB-CE3 4.15Å; I402-W414 HydrophobicContact CG2-CE3 4.06Å; I402-W414 HydrophobicContact CG2-CZ3 4.33Å; I402-W414 PolarHBondContact N-O 2.93Å; I402-W414 VanDerWaalsContact N-O 3.1Å; I402-W414 PolarHBondContact O-N 3.27Å; I402-W414 VanDerWaalsContact O-N 3.11Å; I402-I416 HydrophobicContact CD1-CD1 3.31Å
403	S	80.2	Confident	72.1	Confident	12 Å²	12	46 Å²	46	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	149.6	166.5	61.8	0	0	0	0	110.8	D381 K382 F412	D381-S403 PolarHBondContact N-O 3.16Å; D381-S403 PolarHBondContact OD2-OG 3.22Å; K382-S403 PolarHBondContact N-O 2.94Å; K382-S403 PolarHBondContact N-OG 3.27Å; K382-S403 PolarHBondContact O-N 3.42Å; K382-S403 PolarHBondContact O-OG 3.16Å; K382-S403 VanDerWaalsContact O-OG 3.13Å; S403-F412 WeakPolarHBondContact CA-O 3.4Å
404	G	76	Confident	71.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	168.7	168.6	0	0	0	0	0	112.1	Q379 V411 F412	Q379-G404 CarbonylContact O-C 3.53Å; Q379-G404 WeakPolarHBondContact O-CA 3.19Å; G404-V411 CarbonylContact O-C 3.54Å; G404-V411 VanDerWaalsContact O-CA 3.29Å; G404-V411 WeakPolarHBondContact O-CA 3.29Å; G404-F412 PolarHBondContact N-O 3.16Å; G404-F412 PolarHBondContact O-N 3.43Å
405	N	74.6	Confident	71.1	Confident	94 Å²	94	41.3 Å²	41.3	50%	0.503	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.9	178.2	-68	-22.9	0	0	0	109.4	C378 Q379	C378-N405 CarbonylContact C-O 3.52Å; C378-N405 WeakPolarHBondContact CA-O 3.33Å; C378-N405 WeakPolarHBondContact CB-O 3.33Å; Q379-N405 PolarHBondContact N-O 3.41Å; Q379-N405 PolarHBondContact O-N 3.32Å
406	C	69.2	Low	70.3	Confident	13 Å²	13	39.2 Å²	39.2	9%	0.088	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.6	166.4	-53.3	0	0	0	0	109.3	V376 C378 S408 K409 F412	V376-C406 HydrophobicContact CG1-CB 3.8Å; C378-C406 HydrophobicContact CB-CB 3.82Å; C378-C406 WeakPolarHBondContact CB-SG 3.36Å; C378-C406 WeakPolarHBondContact SG-CB 3.12Å; C378-C406 CovalentContact SG-SG 2.03Å; C378-C406 PolarHBondContact SG-SG 2.92Å; C406-S408 PolarHBondContact O-N 3.47Å; C406-K409 PolarHBondContact N-O 3.06Å; C406-K409 PolarHBondContact O-N 3.11Å; C406-K409 VanDerWaalsContact O-N 3.17Å; C406-F412 HydrophobicContact CB-CD2 3.91Å; C406-F412 HydrophobicContact CB-CE2 3.41Å; C406-F412 VanDerWaalsContact CB-CE2 3.41Å; C406-F412 HydrophobicContact CB-CZ 4.15Å; C406-F412 WeakPolarHBondContact SG-CD2 3.48Å; C406-F412 WeakPolarHBondContact SG-CE2 3.42Å
407	S	68.4	Low	69.9	Low	102 Å²	102	37.8 Å²	37.8	71%	0.713	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-23.5	177.4	52	0	0	0	0	114.6	R377	R377-S407 PolarHBondContact O-N 2.92Å; R377-S407 VanDerWaalsContact O-N 3.1Å
408	S	63	Low	69.1	Low	76 Å²	76	38 Å²	38	53%	0.531	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-12	-177.2	66.7	0	0	0	0	116	C406	C406-S408 PolarHBondContact O-N 3.47Å
409	K	60.3	Low	68.6	Low	108 Å²	108	40.7 Å²	40.7	47%	0.47	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149.6	172.3	-43.9	177.9	173.8	-171.7	0	111.7	C406 V411 F412 L441	C406-K409 PolarHBondContact N-O 3.06Å; C406-K409 PolarHBondContact O-N 3.11Å; C406-K409 VanDerWaalsContact O-N 3.17Å; K409-V411 PolarHBondContact O-N 3.34Å; K409-F412 HydrophobicContact CB-CE1 4.34Å; K409-F412 HydrophobicContact CB-CE2 3.43Å; K409-F412 VanDerWaalsContact CB-CE2 3.43Å; K409-F412 HydrophobicContact CB-CZ 3.36Å; K409-F412 HydrophobicContact CD-CE1 3.76Å; K409-F412 HydrophobicContact CD-CE2 4.38Å; K409-F412 HydrophobicContact CD-CZ 3.45Å; K409-F412 VanDerWaalsContact CD-CZ 3.45Å; K409-F412 HydrophobicContact CG-CE1 4.3Å; K409-F412 HydrophobicContact CG-CE2 4.08Å; K409-F412 HydrophobicContact CG-CZ 3.48Å; K409-F412 VanDerWaalsContact CG-CZ 3.48Å; K409-F412 VanDerWaalsContact O-CE2 3.31Å; K409-F412 WeakPolarHBondContact O-CE2 3.28Å; K409-L441 HydrophobicContact CD-CD2 3.6Å; K409-L441 VanDerWaalsContact NZ-CD1 3.31Å
410	Q	56	Low	67.7	Low	187 Å²	187	43.2 Å²	43.2	87%	0.874	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79	117.7	174.3	-69.2	-175.9	-9.7	0	0	109.7
411	V	56.9	Low	66.9	Low	60 Å²	60	47.5 Å²	47.5	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65.3	118.9	174.5	-164.4	0	0	0	0	116.8	G404 K409	G404-V411 CarbonylContact O-C 3.54Å; G404-V411 VanDerWaalsContact O-CA 3.29Å; G404-V411 WeakPolarHBondContact O-CA 3.29Å; K409-V411 PolarHBondContact O-N 3.34Å
412	F	61.8	Low	65.6	Low	17 Å²	17	55.7 Å²	55.7	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.9	171.7	-66.1	-101	0	0	0	111.3	S403 G404 C406 K409 V439 L441	S403-F412 WeakPolarHBondContact CA-O 3.4Å; G404-F412 PolarHBondContact N-O 3.16Å; G404-F412 PolarHBondContact O-N 3.43Å; C406-F412 HydrophobicContact CB-CD2 3.91Å; C406-F412 HydrophobicContact CB-CE2 3.41Å; C406-F412 VanDerWaalsContact CB-CE2 3.41Å; C406-F412 HydrophobicContact CB-CZ 4.15Å; C406-F412 WeakPolarHBondContact SG-CD2 3.48Å; C406-F412 WeakPolarHBondContact SG-CE2 3.42Å; K409-F412 HydrophobicContact CB-CE1 4.34Å; K409-F412 HydrophobicContact CB-CE2 3.43Å; K409-F412 VanDerWaalsContact CB-CE2 3.43Å; K409-F412 HydrophobicContact CB-CZ 3.36Å; K409-F412 HydrophobicContact CD-CE1 3.76Å; K409-F412 HydrophobicContact CD-CE2 4.38Å; K409-F412 HydrophobicContact CD-CZ 3.45Å; K409-F412 VanDerWaalsContact CD-CZ 3.45Å; K409-F412 HydrophobicContact CG-CE1 4.3Å; K409-F412 HydrophobicContact CG-CE2 4.08Å; K409-F412 HydrophobicContact CG-CZ 3.48Å; K409-F412 VanDerWaalsContact CG-CZ 3.48Å; K409-F412 VanDerWaalsContact O-CE2 3.31Å; K409-F412 WeakPolarHBondContact O-CE2 3.28Å; F412-V439 HydrophobicContact CD1-CG1 4.3Å; F412-L441 HydrophobicContact CD1-CD2 3.73Å; F412-L441 HydrophobicContact CD1-CG 4.02Å; F412-L441 HydrophobicContact CE1-CD2 3.52Å; F412-L441 HydrophobicContact CE1-CG 3.96Å; F412-L441 HydrophobicContact CZ-CD2 4.35Å
413	A	59.9	Low	64.6	Low	7 Å²	7	61.6 Å²	61.6	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	169.5	0	0	0	0	0	111.2	L401 I402 Q440	L401-A413 HydrophobicContact CD1-CB 3.63Å; L401-A413 HydrophobicContact CG-CB 4.24Å; I402-A413 VanDerWaalsContact O-CA 3.26Å; I402-A413 WeakPolarHBondContact O-CA 3.4Å; A413-Q440 PolarHBondContact N-O 3.13Å; A413-Q440 PolarHBondContact O-N 3.46Å
414	W	64.3	Low	63.4	Low	13 Å²	13	69.3 Å²	69.3	5%	0.049	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.5	171.3	-60.7	-73.1	0	0	0	110.5	I363 C378 P380 L401 I402 V439	I363-W414 HydrophobicContact CD1-CD2 3.98Å; I363-W414 HydrophobicContact CD1-CE3 3.4Å; I363-W414 VanDerWaalsContact CD1-CE3 3.4Å; I363-W414 HydrophobicContact CD1-CZ3 3.79Å; I363-W414 HydrophobicContact CG1-CE3 4.37Å; C378-W414 HydrophobicContact CB-CH2 3.55Å; C378-W414 HydrophobicContact CB-CZ2 3.4Å; P380-W414 HydrophobicContact CB-CZ3 4.08Å; L401-W414 WeakPolarHBondContact CA-O 3.39Å; I402-W414 HydrophobicContact CB-CE3 4.15Å; I402-W414 HydrophobicContact CG2-CE3 4.06Å; I402-W414 HydrophobicContact CG2-CZ3 4.33Å; I402-W414 PolarHBondContact N-O 2.93Å; I402-W414 VanDerWaalsContact N-O 3.1Å; I402-W414 PolarHBondContact O-N 3.27Å; I402-W414 VanDerWaalsContact O-N 3.11Å; W414-V439 VanDerWaalsContact CD1-CG2 3.43Å
415	T	64.2	Low	62.5	Low	21 Å²	21	77.7 Å²	77.7	13%	0.129	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.9	162.8	-54.7	0	0	0	0	109	L399 T400 Q438	L399-T415 HydrophobicContact CB-CG2 4.31Å; L399-T415 HydrophobicContact CD2-CG2 4.32Å; T400-T415 VanDerWaalsContact O-CA 3.26Å; T400-T415 WeakPolarHBondContact O-CA 3.27Å; T415-Q438 PolarHBondContact N-O 3.47Å; T415-Q438 PolarHBondContact O-N 3.16Å
416	I	64.6	Low	61.2	Low	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.6	-177.7	-73.1	159.2	0	0	0	108.8	T362 I363 L399 T400 I402 N436 V437	T362-I416 HydrophobicContact CG2-CB 3.92Å; T362-I416 HydrophobicContact CG2-CD1 3.42Å; T362-I416 VanDerWaalsContact CG2-CD1 3.42Å; T362-I416 HydrophobicContact CG2-CG1 3.39Å; T362-I416 HydrophobicContact CG2-CG2 3.35Å; I363-I416 HydrophobicContact CD1-CD1 4.29Å; I363-I416 HydrophobicContact CG1-CD1 3.8Å; L399-I416 CarbonylContact C-O 3.58Å; L399-I416 WeakPolarHBondContact CA-O 3.43Å; T400-I416 PolarHBondContact N-O 3.39Å; T400-I416 PolarHBondContact O-N 3.46Å; I402-I416 HydrophobicContact CD1-CD1 3.31Å; I416-N436 WeakPolarHBondContact CA-O 3.34Å; I416-V437 HydrophobicContact CG1-CG2 4.15Å
417	E	71.1	Confident	60.1	Low	27 Å²	27	79.8 Å²	79.8	13%	0.126	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.3	167.9	-173.2	-177.1	-161.7	0	0	108.9	D397 L398 L399 I435 N436	D397-E417 HydrophobicContact CB-CG 4.06Å; L398-E417 CarbonylContact O-C 3.56Å; L398-E417 VanDerWaalsContact O-CA 3.3Å; L398-E417 WeakPolarHBondContact O-CA 3.47Å; L399-E417 HydrophobicContact CD2-CB 3.78Å; L399-E417 HydrophobicContact CD2-CG 4.01Å; E417-I435 WeakPolarHBondContact O-CA 3.35Å; E417-N436 HydrophobicContact CB-CB 4.1Å; E417-N436 PolarHBondContact N-O 2.98Å; E417-N436 PolarHBondContact O-N 3.07Å; E417-N436 VanDerWaalsContact O-N 3.14Å; E417-N436 PolarHBondContact OE2-ND2 3.11Å
418	S	66	Low	58.9	Low	8 Å²	8	82.9 Å²	82.9	6%	0.056	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.8	171.5	-58.7	0	0	0	0	109.5	D397 L398	D397-S418 WeakPolarHBondContact CA-O 3.49Å; L398-S418 PolarHBondContact N-O 3.03Å; L398-S418 PolarHBondContact O-N 3.19Å
419	R	68.6	Low	57.6	Low	60 Å²	60	84.8 Å²	84.8	23%	0.226	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.7	173.2	-177.7	170.7	-68.4	177.8	1.5	110	D397 Q421 F434	D397-R419 WeakPolarHBondContact OD1-CG 3.08Å; D397-R419 IonicContact OD1-NE 3.76Å; D397-R419 IonicContact OD2-CZ 3.63Å; D397-R419 IonicContact OD2-NE 3.07Å; D397-R419 PolarHBondContact OD2-NE 2.93Å; D397-R419 VanDerWaalsContact OD2-NE 3.07Å; D397-R419 IonicContact OD2-NH2 3.27Å; D397-R419 PolarHBondContact OD2-NH2 3.19Å; R419-Q421 HydrophobicContact CG-CG 4.42Å; R419-F434 HydrophobicContact CB-CB 4.34Å; R419-F434 PolarHBondContact N-O 3.2Å
420	F	63.5	Low	56.6	Low	75 Å²	75	87.8 Å²	87.8	33%	0.329	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.3	175.8	-61.6	-84.9	0	0	0	109.1	F354 L398 H433	F354-F420 HydrophobicContact CE1-CZ 4.11Å; F354-F420 AromaticContact CZ-CE1 3.9Å; F354-F420 HydrophobicContact CZ-CE1 3.9Å; F354-F420 AromaticContact CZ-CZ 3.78Å; F354-F420 HydrophobicContact CZ-CZ 3.78Å; L398-F420 HydrophobicContact CB-CE2 4.44Å; F420-H433 AromaticContact CD1-CE1 3.93Å; F420-H433 AromaticContact CE1-CE1 3.94Å
421	Q	59.8	Low	55.7	Low	91 Å²	91	79 Å²	79	43%	0.425	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.1	170.3	-71.9	-175.1	-21.9	0	0	109.5	R419 G431	R419-Q421 HydrophobicContact CG-CG 4.42Å; Q421-G431 WeakPolarHBondContact O-CA 3.25Å; Q421-G431 PolarHBondContact O-N 2.83Å
422	R	54.4	Low	55	Low	194 Å²	194	81.1 Å²	81.1	73%	0.732	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.2	169.6	-168.1	176.3	-174.1	-177.3	1.4	107.9
423	R	53.4	Low	54.3	Low	127 Å²	127	84.7 Å²	84.7	48%	0.479	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-75.9	128	167.4	-79.6	180	176.4	-174.2	-2.7	107.7	L425 E432	R423-L425 PolarHBondContact O-N 2.74Å; R423-E432 IonicContact CZ-OE1 3.98Å; R423-E432 IonicContact NH2-OE1 2.74Å; R423-E432 PolarHBondContact NH2-OE1 3.42Å
424	L	55.8	Low	53.7	Low	175 Å²	175	89.2 Å²	89.2	92%	0.916	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.2	-176.5	-80.6	158.7	0	0	0	113.3
425	L	56.6	Low	52.9	Low	176 Å²	176	90.7 Å²	90.7	92%	0.921	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.4	-170.6	-76.4	158.7	0	0	0	114.8	R423	R423-L425 PolarHBondContact O-N 2.74Å
426	D	47.8	Very low	52.2	Low	56 Å²	56	92.5 Å²	92.5	30%	0.299	44%	0.437	S	S	.	.			trans	-147.9	105.1	176.4	-172.7	-14.2	0	0	0	109.5	M428 Q429	D426-M428 PolarHBondContact O-N 2.67Å; D426-M428 PolarHBondContact OD1-N 3.22Å; D426-Q429 HydrophobicContact CB-CB 4.1Å; D426-Q429 HydrophobicContact CB-CG 4.26Å; D426-Q429 PolarHBondContact O-N 2.73Å; D426-Q429 VanDerWaalsContact O-N 3.11Å; D426-Q429 VanDerWaalsContact OD2-CD 3.32Å; D426-Q429 VanDerWaalsContact OD2-CG 3.28Å; D426-Q429 WeakPolarHBondContact OD2-CG 2.89Å; D426-Q429 PolarHBondContact OD2-NE2 2.74Å
427	P	45.7	Very low	51.3	Low	96 Å²	96	94.2 Å²	94.2	62%	0.623	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.7	-176.8	25.4	-32.1	0	0	0	113.6
428	M	43.4	Very low	50.3	Low	166 Å²	166	94.7 Å²	94.7	82%	0.818	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-12	175.3	-69.2	-146.7	68.3	0	0	114.5	D426	D426-M428 PolarHBondContact O-N 2.67Å; D426-M428 PolarHBondContact OD1-N 3.22Å
429	Q	35	Very low	49.2	Very low	117 Å²	117	97.4 Å²	97.4	55%	0.547	47%	0.466	S	S	.	.	S	Bend	trans	-97.6	115.7	175.6	-71.9	-176.5	29.7	0	0	111.3	D426 G431	D426-Q429 HydrophobicContact CB-CB 4.1Å; D426-Q429 HydrophobicContact CB-CG 4.26Å; D426-Q429 PolarHBondContact O-N 2.73Å; D426-Q429 VanDerWaalsContact O-N 3.11Å; D426-Q429 VanDerWaalsContact OD2-CD 3.32Å; D426-Q429 VanDerWaalsContact OD2-CG 3.28Å; D426-Q429 WeakPolarHBondContact OD2-CG 2.89Å; D426-Q429 PolarHBondContact OD2-NE2 2.74Å; Q429-G431 PolarHBondContact O-N 2.99Å
430	F	39.4	Very low	48.2	Very low	170 Å²	170	95.3 Å²	95.3	75%	0.746	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	124.6	165.5	-71.2	-84.4	0	0	0	108.8
431	G	37.4	Very low	46.9	Very low	4 Å²	4	94.7 Å²	94.7	4%	0.041	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	178.1	177.9	0	0	0	0	0	113	Q421 Q429 H433	Q421-G431 WeakPolarHBondContact O-CA 3.25Å; Q421-G431 PolarHBondContact O-N 2.83Å; Q429-G431 PolarHBondContact O-N 2.99Å; G431-H433 PolarHBondContact O-N 3.41Å
432	E	43.2	Very low	46	Very low	103 Å²	103	96.1 Å²	96.1	48%	0.481	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.8	129.8	-176	-78.1	171.4	-174.4	0	0	114	R423 F434	R423-E432 IonicContact CZ-OE1 3.98Å; R423-E432 IonicContact NH2-OE1 2.74Å; R423-E432 PolarHBondContact NH2-OE1 3.42Å; E432-F434 HydrophobicContact CB-CE2 4.06Å
433	H	46.8	Very low	45	Very low	92 Å²	92	91.9 Å²	91.9	43%	0.426	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	103.5	174.6	-66.7	-74.7	0	0	0	109.7	F420 G431	F420-H433 AromaticContact CD1-CE1 3.93Å; F420-H433 AromaticContact CE1-CE1 3.94Å; G431-H433 PolarHBondContact O-N 3.41Å
434	F	46.6	Very low	44.1	Very low	102 Å²	102	94.4 Å²	94.4	45%	0.447	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.4	167.3	-67.4	-86.9	0	0	0	109.7	R419 E432	R419-F434 HydrophobicContact CB-CB 4.34Å; R419-F434 PolarHBondContact N-O 3.2Å; E432-F434 HydrophobicContact CB-CE2 4.06Å
435	I	47.7	Very low	42.9	Very low	44 Å²	44	89.4 Å²	89.4	23%	0.226	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	112	-172.4	-62.6	-177.1	0	0	0	108.3	T362 K365 E417 V437	T362-I435 HydrophobicContact CG2-CD1 4.47Å; T362-I435 HydrophobicContact CG2-CG2 3.17Å; K365-I435 HydrophobicContact CB-CD1 4.23Å; K365-I435 HydrophobicContact CD-CD1 3.54Å; K365-I435 HydrophobicContact CG-CD1 4.47Å; E417-I435 WeakPolarHBondContact O-CA 3.35Å; I435-V437 HydrophobicContact CG2-CG2 3.78Å
436	N	49.1	Very low	41.5	Very low	60 Å²	60	88.2 Å²	88.2	32%	0.321	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.1	165.9	-62.9	-47.1	0	0	0	108.9	I416 E417	I416-N436 WeakPolarHBondContact CA-O 3.34Å; E417-N436 HydrophobicContact CB-CB 4.1Å; E417-N436 PolarHBondContact N-O 2.98Å; E417-N436 PolarHBondContact O-N 3.07Å; E417-N436 VanDerWaalsContact O-N 3.14Å; E417-N436 PolarHBondContact OE2-ND2 3.11Å
437	V	45.2	Very low	40.5	Very low	36 Å²	36	92.4 Å²	92.4	22%	0.218	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.3	176.5	-178.8	0	0	0	0	110.1	T362 A366 I416 I435	T362-V437 HydrophobicContact CG2-CG2 3.54Å; A366-V437 HydrophobicContact CB-CB 3.84Å; A366-V437 HydrophobicContact CB-CG1 4.16Å; A366-V437 HydrophobicContact CB-CG2 3.26Å; I416-V437 HydrophobicContact CG1-CG2 4.15Å; I435-V437 HydrophobicContact CG2-CG2 3.78Å
438	Q	50.9	Low	39.6	Very low	37 Å²	37	91 Å²	91	17%	0.173	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.2	169.9	-175.6	177.8	-45.7	0	0	109	T415 V452	T415-Q438 PolarHBondContact N-O 3.47Å; T415-Q438 PolarHBondContact O-N 3.16Å; Q438-V452 HydrophobicContact CG-CG1 4.12Å; Q438-V452 HydrophobicContact CG-CG2 4.48Å
439	V	42.9	Very low	38.8	Very low	64 Å²	64	88.3 Å²	88.3	39%	0.388	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.3	175.4	-175.4	0	0	0	0	108.2	F412 W414 Y451	F412-V439 HydrophobicContact CD1-CG1 4.3Å; W414-V439 VanDerWaalsContact CD1-CG2 3.43Å; V439-Y451 VanDerWaalsContact O-O 3.09Å
440	Q	47.1	Very low	38.5	Very low	17 Å²	17	85.5 Å²	85.5	8%	0.079	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.5	173.8	-171.8	169.6	-18.7	0	0	110.8	A413	A413-Q440 PolarHBondContact N-O 3.13Å; A413-Q440 PolarHBondContact O-N 3.46Å
441	L	36.1	Very low	37.9	Very low	61 Å²	61	85.7 Å²	85.7	32%	0.319	44%	0.442	S	S	.	.			trans	-83.8	126.1	168.9	-82.9	148.6	0	0	0	108.9	K409 F412	K409-L441 HydrophobicContact CD-CD2 3.6Å; K409-L441 VanDerWaalsContact NZ-CD1 3.31Å; F412-L441 HydrophobicContact CD1-CD2 3.73Å; F412-L441 HydrophobicContact CD1-CG 4.02Å; F412-L441 HydrophobicContact CE1-CD2 3.52Å; F412-L441 HydrophobicContact CE1-CG 3.96Å; F412-L441 HydrophobicContact CZ-CD2 4.35Å
442	R	40.6	Very low	37.6	Very low	122 Å²	122	87.2 Å²	87.2	46%	0.46	45%	0.45	S	S	.	.			trans	-130.7	115.9	165.4	-84.7	-172.2	173	177.3	-0.2	107.7
443	T	34.2	Very low	37	Very low	105 Å²	105	90.2 Å²	90.2	64%	0.644	46%	0.457	S	S	*	.			trans	-73.6	141.6	160.6	38	0	0	0	0	108.3	A445	T443-A445 PolarHBondContact O-N 3.44Å; T443-A445 PolarHBondContact OG1-O 2.96Å; T443-A445 VanDerWaalsContact OG1-O 3.04Å
444	L	35.5	Very low	36.2	Very low	180 Å²	180	91.3 Å²	91.3	94%	0.942	46%	0.457	S	S	*	.	S	Bend	trans	-63.9	-7.8	180	-95.8	144.8	0	0	0	113.8
445	A	28.9	Very low	35.5	Very low	70 Å²	70	90 Å²	90	58%	0.579	46%	0.455	S	S	*	.	S	Bend	trans	-123.3	123.6	168.7	0	0	0	0	0	107.8	T443	T443-A445 PolarHBondContact O-N 3.44Å; T443-A445 PolarHBondContact OG1-O 2.96Å; T443-A445 VanDerWaalsContact OG1-O 3.04Å
446	N	27.5	Very low	34.7	Very low	150 Å²	150	92.7 Å²	92.7	80%	0.802	48%	0.477	S	S	*	.	S	Bend	trans	34.2	140.9	161.2	-62.5	-20.8	0	0	0	120.2
447	D	28	Very low	33.8	Very low	144 Å²	144	93.4 Å²	93.4	77%	0.77	50%	0.499	S	S	*	.			trans	86.7	122.2	172.7	-67.6	-38.5	0	0	0	120.3
448	L	26.7	Very low	32.9	Very low	66 Å²	66	103.3 Å²	103.3	35%	0.346	53%	0.533	S	S	.	.			trans	-93	89.9	-176.8	-83.6	162.2	0	0	0	111	K450 R476	L448-K450 PolarHBondContact O-N 2.9Å; L448-R476 HydrophobicContact CD1-CG 4.17Å
449	T	25.3	Very low	31.9	Very low	111 Å²	111	110.5 Å²	110.5	68%	0.681	57%	0.566	S	S	*	*			trans	-88.6	105.8	165.6	-38.7	0	0	0	0	109.7
450	K	30	Very low	31	Very low	57 Å²	57	115.8 Å²	115.8	25%	0.248	59%	0.586	C	S	.	*			trans	-83.2	122.7	-179.5	-104.1	177.6	177.5	159.3	0	111.4	L448 V452 R472	L448-K450 PolarHBondContact O-N 2.9Å; K450-V452 HydrophobicContact CG-CG2 4.49Å; K450-R472 PolarHBondContact NZ-O 3.34Å
451	Y	26.6	Very low	30.3	Very low	175 Å²	175	120 Å²	120	69%	0.686	61%	0.613	S	S	*	*			trans	-111.9	124.1	155.5	-132.7	-95.2	0	0	0	107.6	V439	V439-Y451 VanDerWaalsContact O-O 3.09Å
452	V	30.8	Very low	29.8	Very low	36 Å²	36	128.5 Å²	128.5	22%	0.218	64%	0.641	C	S	.	*			trans	-129.4	106.8	176.2	-172.9	0	0	0	0	108.8	Q438 K450	Q438-V452 HydrophobicContact CG-CG1 4.12Å; Q438-V452 HydrophobicContact CG-CG2 4.48Å; K450-V452 HydrophobicContact CG-CG2 4.49Å
453	R	30	Very low	29.6	Very low	166 Å²	166	127.4 Å²	127.4	63%	0.626	65%	0.652	S	S	*	*			trans	-111.2	128.5	168.6	-114.8	179.9	178.7	-179.8	-1	109
454	R	30.6	Very low	29.9	Very low	114 Å²	114	126.2 Å²	126.2	43%	0.43	64%	0.639	S	S	.	*			trans	-93.4	125.5	177.5	-169	-179.3	-171	-177.7	0.5	107.2	L468	R454-L468 VanDerWaalsContact CZ-CD1 3.42Å; R454-L468 VanDerWaalsContact NH2-CD1 3.31Å
455	L	32.4	Very low	30	Very low	76 Å²	76	127.3 Å²	127.3	40%	0.398	63%	0.63	S	S	.	*			trans	-109.7	102.9	170.8	-69.9	164.3	0	0	0	107	I369	I369-L455 HydrophobicContact CB-CD1 4.05Å; I369-L455 HydrophobicContact CG2-CB 4.31Å; I369-L455 HydrophobicContact CG2-CD1 3.78Å; I369-L455 HydrophobicContact CG2-CD2 4.13Å; I369-L455 HydrophobicContact CG2-CG 4.28Å; I369-L455 VanDerWaalsContact O-CD1 3.24Å; I369-L455 WeakPolarHBondContact O-CD1 3.28Å
456	S	31.3	Very low	30.4	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	63%	0.627	S	S	*	*			trans	-98.1	115.5	170.8	52.9	0	0	0	0	108.9
457	G	29.5	Very low	31	Very low	76 Å²	76	122.2 Å²	122.2	78%	0.784	60%	0.604	S	S	*	*			trans	-65.6	142.1	156.5	0	0	0	0	0	109.4	H459	G457-H459 PolarHBondContact O-N 3.41Å
458	R	26.2	Very low	31.4	Very low	244 Å²	244	117.8 Å²	117.8	92%	0.921	58%	0.58	S	S	*	*	S	Bend	trans	-54.3	115.9	-170.5	-69	177.3	-177.7	-177.9	-0.2	112.2
459	H	29.6	Very low	31.9	Very low	188 Å²	188	120.8 Å²	120.8	87%	0.87	59%	0.592	S	S	*	*				-162.5	140.2	127.4	-94.2	-67.5	0	0	0	108.6	G457 V461	G457-H459 PolarHBondContact O-N 3.41Å; H459-V461 PolarHBondContact O-N 3.3Å
460	E	24.4	Very low	32.6	Very low	175 Å²	175	124.1 Å²	124.1	82%	0.818	59%	0.593	S	S	*	*			trans	-70	113	-168.1	-130.8	172.7	170	0	0	112
461	V	31.3	Very low	33	Very low	104 Å²	104	122.7 Å²	122.7	63%	0.63	59%	0.588	S	S	*	*			trans	-138.9	103.6	162.8	-173.8	0	0	0	0	109.2	H459 S463	H459-V461 PolarHBondContact O-N 3.3Å; V461-S463 VanDerWaalsContact C-N 3.34Å; V461-S463 PolarHBondContact O-N 3.46Å
462	R	27.6	Very low	33.5	Very low	240 Å²	240	118.8 Å²	118.8	91%	0.906	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	9.7	-171.7	-108.6	177.8	178.5	-176.2	-0.1	115.5
463	S	35.5	Very low	33.9	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	-7.1	-173.8	62.1	0	0	0	0	117.3	V461	V461-S463 VanDerWaalsContact C-N 3.34Å; V461-S463 PolarHBondContact O-N 3.46Å
464	E	40.5	Very low	34.3	Very low	80 Å²	80	124.2 Å²	124.2	37%	0.374	59%	0.592	S	S	.	*			trans	-94.1	-0.2	-175.3	-83.5	-174.1	152.8	0	0	116.1	A466 T467	E464-A466 VanDerWaalsContact C-N 3.35Å; E464-A466 PolarHBondContact O-N 3.26Å; E464-T467 PolarHBondContact O-N 2.95Å
465	R	36.8	Very low	34.3	Very low	202 Å²	202	121.9 Å²	121.9	76%	0.762	59%	0.587	S	S	*	*	H	α-helix	trans	-65	-30.6	-172.9	-84.8	-178.1	175.7	-176.3	-1.3	114.5
466	A	38.3	Very low	34.1	Very low	61 Å²	61	129 Å²	129	50%	0.504	61%	0.608	S	S	.	*	H	α-helix	trans	-75.5	-28.8	-177.9	0	0	0	0	0	113.5	E464 R470	E464-A466 VanDerWaalsContact C-N 3.35Å; E464-A466 PolarHBondContact O-N 3.26Å; A466-R470 PolarHBondContact O-N 3.07Å
467	T	40.6	Very low	34.3	Very low	52 Å²	52	130.5 Å²	130.5	32%	0.319	60%	0.604	S	S	.	*	H	α-helix	trans	-73.4	-40.6	-173.4	-46.5	0	0	0	0	112	F332 E464 R470 L471	F332-T467 HydrophobicContact CD1-CG2 4.29Å; F332-T467 HydrophobicContact CE1-CG2 4.46Å; E464-T467 PolarHBondContact O-N 2.95Å; T467-R470 PolarHBondContact O-N 2.83Å; T467-L471 PolarHBondContact O-N 3.26Å
468	L	36.6	Very low	34.5	Very low	52 Å²	52	133.3 Å²	133.3	27%	0.272	60%	0.595	S	S	.	*	H	α-helix	trans	-70.3	-31.8	178.4	-83.1	156.8	0	0	0	113.3	R454 L471 R472	R454-L468 VanDerWaalsContact CZ-CD1 3.42Å; R454-L468 VanDerWaalsContact NH2-CD1 3.31Å; L468-L471 HydrophobicContact CD2-CD1 4.36Å; L468-L471 PolarHBondContact O-N 3.41Å; L468-R472 WeakPolarHBondContact O-CG 3.41Å; L468-R472 PolarHBondContact O-N 3.31Å
469	Q	36.2	Very low	35	Very low	129 Å²	129	127.2 Å²	127.2	60%	0.603	58%	0.577	S	S	*	*	H	α-helix	trans	-69.5	-32.5	173.7	-84.2	-179.7	-15.1	0	0	112.5	R472	Q469-R472 WeakPolarHBondContact O-CB 3.27Å; Q469-R472 PolarHBondContact O-N 2.98Å
470	R	40.4	Very low	35.3	Very low	181 Å²	181	123.6 Å²	123.6	68%	0.683	56%	0.559	S	S	*	*	H	α-helix	trans	-69.2	-40.2	173.3	-71.6	-176.1	-171.9	-166.5	2.7	112.2	A466 T467 R472 R473	A466-R470 PolarHBondContact O-N 3.07Å; T467-R470 PolarHBondContact O-N 2.83Å; R470-R472 PolarHBondContact O-N 2.86Å; R470-R473 PolarHBondContact O-N 3.13Å
471	L	38.5	Very low	36	Very low	27 Å²	27	120.4 Å²	120.4	14%	0.141	54%	0.543	C	S	.	.	H	α-helix	trans	-56.6	-35.9	171.9	-82.1	158	0	0	0	112.3	F332 T467 L468 R473 H474 M475	F332-L471 HydrophobicContact CD2-CD2 3.92Å; F332-L471 HydrophobicContact CE1-CG 4.36Å; F332-L471 HydrophobicContact CE2-CD2 3.52Å; F332-L471 HydrophobicContact CE2-CG 4.05Å; F332-L471 HydrophobicContact CZ-CD2 3.95Å; F332-L471 HydrophobicContact CZ-CG 3.94Å; T467-L471 PolarHBondContact O-N 3.26Å; L468-L471 HydrophobicContact CD2-CD1 4.36Å; L468-L471 PolarHBondContact O-N 3.41Å; L471-R473 VanDerWaalsContact C-N 3.31Å; L471-R473 PolarHBondContact O-N 2.92Å; L471-H474 PolarHBondContact O-N 3.23Å; L471-M475 PolarHBondContact O-N 3.32Å
472	R	37.3	Very low	36.3	Very low	92 Å²	92	121.5 Å²	121.5	35%	0.347	54%	0.537	S	S	.	.	H	α-helix	trans	-64.9	-25.6	178.5	-73.5	175.6	-176.3	-175	0.1	114.5	K450 L468 Q469 R470	K450-R472 PolarHBondContact NZ-O 3.34Å; L468-R472 WeakPolarHBondContact O-CG 3.41Å; L468-R472 PolarHBondContact O-N 3.31Å; Q469-R472 WeakPolarHBondContact O-CB 3.27Å; Q469-R472 PolarHBondContact O-N 2.98Å; R470-R472 PolarHBondContact O-N 2.86Å
473	R	38.3	Very low	36.9	Very low	213 Å²	213	113 Å²	113	80%	0.804	51%	0.511	S	S	*	.	H	α-helix	trans	-90.2	-20.6	179	-71.7	-175.2	-179.8	-178.4	0.3	113.4	R470 L471	R470-R473 PolarHBondContact O-N 3.13Å; L471-R473 VanDerWaalsContact C-N 3.31Å; L471-R473 PolarHBondContact O-N 2.92Å
474	H	37.9	Very low	37	Very low	104 Å²	104	114 Å²	114	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-105.1	1.4	-171.9	-79.2	41.2	0	0	0	115.4	R50 L471	R50-H474 PolarHBondContact NH2-O 3.36Å; L471-H474 PolarHBondContact O-N 3.23Å
475	M	32.1	Very low	36.7	Very low	64 Å²	64	116.8 Å²	116.8	32%	0.315	51%	0.507	S	S	.	.			trans	-96.6	9.7	169.4	-66.3	-146.6	-62.9	0	0	113.5	L471	L471-M475 PolarHBondContact O-N 3.32Å
476	R	28	Very low	36.7	Very low	225 Å²	225	109.1 Å²	109.1	85%	0.849	48%	0.484	S	S	*	.			trans	-85.7	0	156.2	-67.1	-172.1	175	177.8	-2.2	106.6	L448	L448-R476 HydrophobicContact CD1-CG 4.17Å

Retrieved 476 of 476 residues in 217.5 ms (Link to these results)

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