A0A077ZNM8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZNM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 558 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	49.5	Very low	48.6	Very low	206 Å²	206	135.6 Å²	135.6	100%	1.015	64%	0.639	S	S	*	*				0	-64.3	0	-85.9	-167.7	-106	0	0	114	R3 T4 F5	M1-R3 PolarHBondContact O-N 3.01Å; M1-T4 PolarHBondContact O-N 3.31Å; M1-T4 VanDerWaalsContact O-N 3.15Å; M1-F5 PolarHBondContact O-N 2.86Å
2	R	48.6	Very low	48.1	Very low	236 Å²	236	128.8 Å²	128.8	89%	0.891	62%	0.623	S	S	*	*	H	α-helix	trans	-56.1	-40.4	-176.6	-74.8	-174.8	178.9	175.7	-0.3	114.9	A6	R2-A6 WeakPolarHBondContact O-CB 3.29Å; R2-A6 PolarHBondContact O-N 3.5Å
3	R	41.9	Very low	47.7	Very low	217 Å²	217	125.2 Å²	125.2	82%	0.819	61%	0.607	S	S	*	*	H	α-helix	trans	-67.3	-43.1	175.7	-78.3	-175.6	176.2	173.9	-1.2	113	M1 F5 A6 I7	M1-R3 PolarHBondContact O-N 3.01Å; R3-F5 VanDerWaalsContact C-N 3.35Å; R3-A6 PolarHBondContact O-N 2.85Å; R3-I7 VanDerWaalsContact O-CG1 3.27Å; R3-I7 WeakPolarHBondContact O-CG1 3.48Å; R3-I7 PolarHBondContact O-N 3.06Å
4	T	54.8	Low	47.6	Very low	85 Å²	85	125.6 Å²	125.6	52%	0.521	61%	0.608	S	S	.	*	H	α-helix	trans	-63.7	-42	178	-31.2	0	0	0	0	111.3	M1 I7 L8	M1-T4 PolarHBondContact O-N 3.31Å; M1-T4 VanDerWaalsContact O-N 3.15Å; T4-I7 PolarHBondContact O-N 3.21Å; T4-L8 WeakPolarHBondContact O-CG 3.47Å; T4-L8 PolarHBondContact O-N 3.41Å
5	F	49.3	Very low	47.3	Very low	144 Å²	144	121.1 Å²	121.1	63%	0.632	60%	0.599	S	S	*	*	H	α-helix	trans	-64.4	-42.8	175.2	-169.2	-94.6	0	0	0	111.9	M1 R3 I7 L8 L9	M1-F5 PolarHBondContact O-N 2.86Å; R3-F5 VanDerWaalsContact C-N 3.35Å; F5-I7 PolarHBondContact O-N 2.99Å; F5-L8 PolarHBondContact O-N 3.44Å; F5-L9 VanDerWaalsContact O-CB 3.3Å; F5-L9 WeakPolarHBondContact O-CB 3.46Å; F5-L9 PolarHBondContact O-N 3.35Å
6	A	47.6	Very low	47.1	Very low	49 Å²	49	118.6 Å²	118.6	41%	0.405	59%	0.592	S	S	.	*	H	α-helix	trans	-63.9	-39.2	176.3	0	0	0	0	0	112.7	R2 R3 L9 C10	R2-A6 WeakPolarHBondContact O-CB 3.29Å; R2-A6 PolarHBondContact O-N 3.5Å; R3-A6 PolarHBondContact O-N 2.85Å; A6-L9 PolarHBondContact O-N 3.48Å; A6-C10 WeakPolarHBondContact O-CB 3.26Å; A6-C10 PolarHBondContact O-N 3.06Å; A6-C10 PolarHBondContact O-SG 3.34Å; A6-C10 VanDerWaalsContact O-SG 3.41Å
7	I	55	Low	47	Very low	97 Å²	97	116.5 Å²	116.5	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-65.9	-46.8	176.2	-66.4	167.2	0	0	0	110.2	R3 T4 F5 L9 C10 W11	R3-I7 VanDerWaalsContact O-CG1 3.27Å; R3-I7 WeakPolarHBondContact O-CG1 3.48Å; R3-I7 PolarHBondContact O-N 3.06Å; T4-I7 PolarHBondContact O-N 3.21Å; F5-I7 PolarHBondContact O-N 2.99Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.86Å; I7-C10 PolarHBondContact O-N 3.12Å; I7-W11 PolarHBondContact O-N 3.43Å
8	L	48.2	Very low	47.1	Very low	114 Å²	114	117.9 Å²	117.9	60%	0.597	59%	0.585	S	S	*	*	H	α-helix	trans	-61.8	-41.2	177	-73.7	168.8	0	0	0	112	T4 F5 W11 A12	T4-L8 WeakPolarHBondContact O-CG 3.47Å; T4-L8 PolarHBondContact O-N 3.41Å; F5-L8 PolarHBondContact O-N 3.44Å; L8-W11 PolarHBondContact O-N 3.4Å; L8-A12 WeakPolarHBondContact O-CB 3.02Å; L8-A12 PolarHBondContact O-N 3.5Å
9	L	50.3	Low	47.2	Very low	90 Å²	90	111.9 Å²	111.9	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-63.9	-42.3	175.3	-169.2	73	0	0	0	111.3	F5 A6 I7 W11 A12 I13	F5-L9 VanDerWaalsContact O-CB 3.3Å; F5-L9 WeakPolarHBondContact O-CB 3.46Å; F5-L9 PolarHBondContact O-N 3.35Å; A6-L9 PolarHBondContact O-N 3.48Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.86Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-W11 PolarHBondContact O-N 3.5Å; L9-A12 PolarHBondContact O-N 3.15Å; L9-I13 HydrophobicContact CD1-CD1 4.46Å; L9-I13 HydrophobicContact CD2-CD1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.86Å; L9-I13 HydrophobicContact CG-CG1 4.46Å; L9-I13 WeakPolarHBondContact O-CB 3.24Å; L9-I13 WeakPolarHBondContact O-CG1 3.39Å; L9-I13 PolarHBondContact O-N 2.89Å
10	C	41.9	Very low	47.5	Very low	74 Å²	74	111.6 Å²	111.6	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-38.3	174.5	-80	0	0	0	0	112.5	A6 I7 Q14	A6-C10 WeakPolarHBondContact O-CB 3.26Å; A6-C10 PolarHBondContact O-N 3.06Å; A6-C10 PolarHBondContact O-SG 3.34Å; A6-C10 VanDerWaalsContact O-SG 3.41Å; I7-C10 PolarHBondContact O-N 3.12Å; C10-Q14 VanDerWaalsContact O-CB 3.26Å; C10-Q14 WeakPolarHBondContact O-CB 3.26Å; C10-Q14 WeakPolarHBondContact O-CG 3.35Å; C10-Q14 PolarHBondContact O-N 3.19Å
11	W	48	Very low	48.1	Very low	180 Å²	180	113.8 Å²	113.8	68%	0.682	56%	0.564	S	S	*	*	H	α-helix	trans	-70.1	-40.7	177.1	-78.9	49	0	0	0	111.6	I7 L8 L9 Q14 A15	I7-W11 PolarHBondContact O-N 3.43Å; L8-W11 PolarHBondContact O-N 3.4Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-W11 PolarHBondContact O-N 3.5Å; W11-Q14 PolarHBondContact O-N 2.89Å; W11-A15 VanDerWaalsContact O-CB 3.28Å; W11-A15 WeakPolarHBondContact O-CB 3.09Å; W11-A15 PolarHBondContact O-N 3.33Å
12	A	42.2	Very low	48.7	Very low	54 Å²	54	105 Å²	105	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-45.4	173.8	0	0	0	0	0	111.1	L8 L9 A15 V16	L8-A12 WeakPolarHBondContact O-CB 3.02Å; L8-A12 PolarHBondContact O-N 3.5Å; L9-A12 PolarHBondContact O-N 3.15Å; A12-A15 PolarHBondContact O-N 3.13Å; A12-V16 WeakPolarHBondContact O-CB 3.37Å; A12-V16 WeakPolarHBondContact O-CG2 3.42Å; A12-V16 PolarHBondContact O-N 3.5Å
13	I	43	Very low	50	Low	82 Å²	82	96.6 Å²	96.6	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-43.3	175.5	-69.7	169.4	0	0	0	110.6	L9 V16 I17	L9-I13 HydrophobicContact CD1-CD1 4.46Å; L9-I13 HydrophobicContact CD2-CD1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.86Å; L9-I13 HydrophobicContact CG-CG1 4.46Å; L9-I13 WeakPolarHBondContact O-CB 3.24Å; L9-I13 WeakPolarHBondContact O-CG1 3.39Å; L9-I13 PolarHBondContact O-N 2.89Å; I13-V16 PolarHBondContact O-N 2.81Å; I13-I17 HydrophobicContact CG2-CD1 3.47Å; I13-I17 VanDerWaalsContact CG2-CD1 3.47Å; I13-I17 HydrophobicContact CG2-CG1 4.06Å; I13-I17 VanDerWaalsContact O-CB 3.31Å; I13-I17 WeakPolarHBondContact O-CB 3.36Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 3.4Å
14	Q	45.8	Very low	51.6	Low	131 Å²	131	89.2 Å²	89.2	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-64.9	-39	175.9	-86.3	-175.6	-34.1	0	0	112	C10 W11 F18	C10-Q14 VanDerWaalsContact O-CB 3.26Å; C10-Q14 WeakPolarHBondContact O-CB 3.26Å; C10-Q14 WeakPolarHBondContact O-CG 3.35Å; C10-Q14 PolarHBondContact O-N 3.19Å; W11-Q14 PolarHBondContact O-N 2.89Å; Q14-F18 WeakPolarHBondContact O-CA 3.4Å; Q14-F18 WeakPolarHBondContact O-CB 3.46Å; Q14-F18 PolarHBondContact O-N 3.13Å
15	A	44	Very low	52.4	Low	58 Å²	58	89.1 Å²	89.1	48%	0.479	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-40.9	174.9	0	0	0	0	0	111.2	W11 A12 A19	W11-A15 VanDerWaalsContact O-CB 3.28Å; W11-A15 WeakPolarHBondContact O-CB 3.09Å; W11-A15 PolarHBondContact O-N 3.33Å; A12-A15 PolarHBondContact O-N 3.13Å; A15-A19 WeakPolarHBondContact O-CB 3.49Å; A15-A19 PolarHBondContact O-N 3.47Å
16	V	43.4	Very low	53.4	Low	81 Å²	81	86.2 Å²	86.2	49%	0.491	46%	0.46	S	S	.	.	H	α-helix	trans	-67.2	-44.6	175.6	170.6	0	0	0	0	111.4	A12 I13 A19 L20	A12-V16 WeakPolarHBondContact O-CB 3.37Å; A12-V16 WeakPolarHBondContact O-CG2 3.42Å; A12-V16 PolarHBondContact O-N 3.5Å; I13-V16 PolarHBondContact O-N 2.81Å; V16-A19 PolarHBondContact O-N 3.41Å; V16-L20 HydrophobicContact CG1-CD1 3.7Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 2.94Å
17	I	45.7	Very low	54.6	Low	82 Å²	82	83.9 Å²	83.9	42%	0.421	44%	0.44	S	S	.	.	H	α-helix	trans	-65.7	-45.3	176.3	-70.2	173.1	0	0	0	110.4	I13 A19 L20 H21	I13-I17 HydrophobicContact CG2-CD1 3.47Å; I13-I17 VanDerWaalsContact CG2-CD1 3.47Å; I13-I17 HydrophobicContact CG2-CG1 4.06Å; I13-I17 VanDerWaalsContact O-CB 3.31Å; I13-I17 WeakPolarHBondContact O-CB 3.36Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 3.4Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.06Å; I17-L20 PolarHBondContact O-N 2.74Å; I17-H21 WeakPolarHBondContact O-CB 3.39Å; I17-H21 PolarHBondContact O-CD2 3.36Å; I17-H21 PolarHBondContact O-N 3.03Å
18	F	48.9	Very low	55.3	Low	143 Å²	143	79.4 Å²	79.4	63%	0.627	42%	0.417	S	S	*	.	H	α-helix	trans	-60.2	-47.7	176.9	-174.8	-96.3	0	0	0	109.8	Q14 L20 H21 L22	Q14-F18 WeakPolarHBondContact O-CA 3.4Å; Q14-F18 WeakPolarHBondContact O-CB 3.46Å; Q14-F18 PolarHBondContact O-N 3.13Å; F18-L20 PolarHBondContact O-N 3.05Å; F18-H21 CarbonylContact O-C 3.55Å; F18-H21 PolarHBondContact O-N 3.36Å; F18-L22 HydrophobicContact CD1-CD1 4.43Å; F18-L22 HydrophobicContact CD1-CD2 4.4Å; F18-L22 HydrophobicContact CD1-CG 4.36Å; F18-L22 HydrophobicContact CE1-CD1 4.38Å; F18-L22 HydrophobicContact CE1-CD2 3.81Å; F18-L22 HydrophobicContact CE1-CG 4.24Å; F18-L22 HydrophobicContact CZ-CD2 4.15Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 2.92Å
19	A	48.1	Very low	56.2	Low	4 Å²	4	76.7 Å²	76.7	3%	0.033	40%	0.404	C	S	.	.	H	α-helix	trans	-66	-36.6	177.4	0	0	0	0	0	112.8	A15 V16 I17 H21 L22 L236 P237 R239	A15-A19 WeakPolarHBondContact O-CB 3.49Å; A15-A19 PolarHBondContact O-N 3.47Å; V16-A19 PolarHBondContact O-N 3.41Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.06Å; A19-H21 VanDerWaalsContact C-N 3.28Å; A19-H21 PolarHBondContact O-N 2.81Å; A19-L22 PolarHBondContact O-N 2.72Å; A19-L236 HydrophobicContact CB-CD2 4.38Å; A19-P237 VanDerWaalsContact CB-CD 3.4Å; A19-P237 HydrophobicContact CB-CG 3.7Å; A19-R239 PolarHBondContact O-NH2 3.37Å
20	L	53.9	Low	56.8	Low	104 Å²	104	72.8 Å²	72.8	55%	0.545	38%	0.384	S	S	.	.	H	α-helix	trans	-67.6	-26.1	174.6	-79	167.9	0	0	0	112.8	V16 I17 F18 R239	V16-L20 HydrophobicContact CG1-CD1 3.7Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 2.94Å; I17-L20 PolarHBondContact O-N 2.74Å; F18-L20 PolarHBondContact O-N 3.05Å; L20-R239 PolarHBondContact O-NH2 2.85Å
21	H	59.3	Low	57.9	Low	158 Å²	158	69.3 Å²	69.3	73%	0.731	36%	0.361	S	S	*	.	H	α-helix	trans	-102.2	3.1	178.3	-73.6	-44.8	0	0	0	114.9	I17 F18 A19 S23	I17-H21 WeakPolarHBondContact O-CB 3.39Å; I17-H21 PolarHBondContact O-CD2 3.36Å; I17-H21 PolarHBondContact O-N 3.03Å; F18-H21 CarbonylContact O-C 3.55Å; F18-H21 PolarHBondContact O-N 3.36Å; A19-H21 VanDerWaalsContact C-N 3.28Å; A19-H21 PolarHBondContact O-N 2.81Å; H21-S23 PolarHBondContact O-N 2.88Å
22	L	63.4	Low	58.5	Low	23 Å²	23	61.8 Å²	61.8	12%	0.12	34%	0.335	C	S	.	.			trans	-62.7	127.9	169	-75.9	166.5	0	0	0	108.9	F18 A19 N26 Y27 L236 R239	F18-L22 HydrophobicContact CD1-CD1 4.43Å; F18-L22 HydrophobicContact CD1-CD2 4.4Å; F18-L22 HydrophobicContact CD1-CG 4.36Å; F18-L22 HydrophobicContact CE1-CD1 4.38Å; F18-L22 HydrophobicContact CE1-CD2 3.81Å; F18-L22 HydrophobicContact CE1-CG 4.24Å; F18-L22 HydrophobicContact CZ-CD2 4.15Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 2.92Å; A19-L22 PolarHBondContact O-N 2.72Å; L22-N26 HydrophobicContact CD2-CB 3.68Å; L22-Y27 HydrophobicContact CD1-CD2 4.39Å; L22-L236 HydrophobicContact CD1-CD2 4.19Å; L22-R239 PolarHBondContact O-NH1 2.97Å
23	S	74.5	Confident	59.3	Low	59 Å²	59	63.8 Å²	63.8	41%	0.413	34%	0.335	S	S	.	.			trans	-57.9	152.5	163.2	61	0	0	0	0	109.6	H21 E25 N26 Y27	H21-S23 PolarHBondContact O-N 2.88Å; S23-E25 PolarHBondContact O-N 3.33Å; S23-E25 VanDerWaalsContact O-N 3.15Å; S23-N26 PolarHBondContact O-N 3.41Å; S23-N26 WeakPolarHBondContact OG-CB 3.37Å; S23-N26 PolarHBondContact OG-N 3Å; S23-N26 PolarHBondContact OG-ND2 3.15Å; S23-N26 VanDerWaalsContact OG-ND2 3.13Å; S23-Y27 PolarHBondContact O-N 3.37Å
24	D	75.8	Confident	59.8	Low	61 Å²	61	66.8 Å²	66.8	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-56.8	-34.9	-177	-64.1	-18.2	0	0	0	112.2	Y27 L28 L241 F245	D24-Y27 PolarHBondContact O-N 3.36Å; D24-L28 WeakPolarHBondContact O-CG 3.46Å; D24-L28 PolarHBondContact O-N 2.84Å; D24-L241 HydrophobicContact CB-CD2 3.83Å; D24-L241 WeakPolarHBondContact OD1-CD2 3.37Å; D24-F245 HydrophobicContact CB-CD1 3.8Å; D24-F245 HydrophobicContact CB-CE1 3.29Å; D24-F245 HydrophobicContact CB-CE2 4.2Å; D24-F245 HydrophobicContact CB-CG 4.44Å; D24-F245 HydrophobicContact CB-CZ 3.54Å
25	E	71.8	Confident	60.2	Low	83 Å²	83	62.8 Å²	62.8	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-67.2	-43.5	175.8	-171.6	166.7	-148.8	0	0	112.2	S23 Y27 L28 N29 F245 Y249 K252	S23-E25 PolarHBondContact O-N 3.33Å; S23-E25 VanDerWaalsContact O-N 3.15Å; E25-Y27 VanDerWaalsContact C-N 3.3Å; E25-Y27 PolarHBondContact O-N 3.36Å; E25-L28 PolarHBondContact O-N 3.47Å; E25-N29 WeakPolarHBondContact O-CB 3.24Å; E25-N29 PolarHBondContact O-N 2.94Å; E25-N29 PolarHBondContact O-ND2 3.19Å; E25-F245 HydrophobicContact CB-CZ 4.02Å; E25-Y249 HydrophobicContact CG-CD2 4.33Å; E25-Y249 HydrophobicContact CG-CE2 4.09Å; E25-K252 IonicContact OE1-NZ 3.51Å; E25-K252 PolarHBondContact OE1-NZ 3.21Å; E25-K252 VanDerWaalsContact OE1-NZ 3.09Å
26	N	71.1	Confident	60.6	Low	84 Å²	84	61.4 Å²	61.4	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-69.3	-31.3	177.5	-72.5	-24.3	0	0	0	112	L22 S23 A30	L22-N26 HydrophobicContact CD2-CB 3.68Å; S23-N26 PolarHBondContact O-N 3.41Å; S23-N26 WeakPolarHBondContact OG-CB 3.37Å; S23-N26 PolarHBondContact OG-N 3Å; S23-N26 PolarHBondContact OG-ND2 3.15Å; S23-N26 VanDerWaalsContact OG-ND2 3.13Å; N26-A30 WeakPolarHBondContact O-CB 3.21Å; N26-A30 PolarHBondContact O-N 3.49Å
27	Y	72.7	Confident	61.4	Low	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-47.2	173.6	-174.7	-88.1	0	0	0	111.2	L22 S23 D24 E25 N29 A30 L31 L236 P237 R239 L241 S312	L22-Y27 HydrophobicContact CD1-CD2 4.39Å; S23-Y27 PolarHBondContact O-N 3.37Å; D24-Y27 PolarHBondContact O-N 3.36Å; E25-Y27 VanDerWaalsContact C-N 3.3Å; E25-Y27 PolarHBondContact O-N 3.36Å; Y27-N29 PolarHBondContact O-N 3.42Å; Y27-A30 WeakPolarHBondContact O-CB 3.26Å; Y27-A30 PolarHBondContact O-N 2.86Å; Y27-A30 VanDerWaalsContact O-N 3.08Å; Y27-L31 HydrophobicContact CD1-CD1 4.11Å; Y27-L31 HydrophobicContact CD1-CG 4.34Å; Y27-L31 HydrophobicContact CE1-CD1 3.72Å; Y27-L31 HydrophobicContact CE1-CD2 4.39Å; Y27-L31 HydrophobicContact CE1-CG 4.08Å; Y27-L31 PolarHBondContact O-N 3.48Å; Y27-L31 VanDerWaalsContact O-N 3.07Å; Y27-L236 HydrophobicContact CE2-CB 3.95Å; Y27-L236 HydrophobicContact CE2-CD1 4.33Å; Y27-L236 HydrophobicContact CE2-CD2 4.39Å; Y27-L236 HydrophobicContact CE2-CG 4.44Å; Y27-P237 PolarHBondContact OH-O 3.19Å; Y27-R239 HydrophobicContact CE1-CB 4.13Å; Y27-R239 HydrophobicContact CE2-CB 4.39Å; Y27-R239 HydrophobicContact CE2-CG 3.91Å; Y27-R239 PolarHBondContact OH-N 3.48Å; Y27-L241 HydrophobicContact CD1-CD1 4.07Å; Y27-L241 HydrophobicContact CE1-CD1 4.48Å; Y27-S312 WeakPolarHBondContact OH-CB 3.49Å; Y27-S312 PolarHBondContact OH-OG 3.06Å
28	L	69.4	Low	62.2	Low	2 Å²	2	54.4 Å²	54.4	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-41.1	174.8	-70.1	178.6	0	0	0	112.1	D24 E25 A30 L31 T32 L241 F245 Y249 L315 L319	D24-L28 WeakPolarHBondContact O-CG 3.46Å; D24-L28 PolarHBondContact O-N 2.84Å; E25-L28 PolarHBondContact O-N 3.47Å; L28-A30 PolarHBondContact O-N 3.26Å; L28-L31 HydrophobicContact CD2-CD1 4.24Å; L28-L31 WeakPolarHBondContact O-CB 3.14Å; L28-L31 PolarHBondContact O-N 3.43Å; L28-L31 VanDerWaalsContact O-N 3.14Å; L28-T32 PolarHBondContact O-N 2.87Å; L28-L241 HydrophobicContact CD1-CD1 4.28Å; L28-L241 HydrophobicContact CD2-CD1 3.43Å; L28-L241 VanDerWaalsContact CD2-CD1 3.43Å; L28-L241 HydrophobicContact CG-CD1 3.75Å; L28-F245 HydrophobicContact CD1-CD1 4.14Å; L28-F245 HydrophobicContact CD1-CE1 3.46Å; L28-F245 VanDerWaalsContact CD1-CE1 3.46Å; L28-F245 HydrophobicContact CD1-CZ 4.33Å; L28-F245 HydrophobicContact CG-CE1 4.32Å; L28-Y249 HydrophobicContact CB-CD1 4.13Å; L28-Y249 HydrophobicContact CB-CD2 4.4Å; L28-Y249 HydrophobicContact CB-CE1 3.68Å; L28-Y249 HydrophobicContact CB-CE2 4.02Å; L28-Y249 HydrophobicContact CB-CG 4.46Å; L28-Y249 HydrophobicContact CD1-CD1 3.5Å; L28-Y249 VanDerWaalsContact CD1-CD1 3.5Å; L28-Y249 HydrophobicContact CD1-CD2 3.92Å; L28-Y249 HydrophobicContact CD1-CE1 3.97Å; L28-Y249 HydrophobicContact CD1-CE2 4.38Å; L28-Y249 HydrophobicContact CD1-CG 3.46Å; L28-Y249 VanDerWaalsContact CD1-CG 3.46Å; L28-Y249 HydrophobicContact CG-CD1 4.37Å; L28-Y249 HydrophobicContact CG-CE1 4.39Å; L28-L315 HydrophobicContact CD2-CD1 4.13Å; L28-L319 HydrophobicContact CD2-CD1 4.03Å
29	N	67	Low	62.9	Low	58 Å²	58	52.4 Å²	52.4	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-21.4	173.5	-73.1	-24.7	0	0	0	113.7	E25 Y27 T32 Q33 Y249	E25-N29 WeakPolarHBondContact O-CB 3.24Å; E25-N29 PolarHBondContact O-N 2.94Å; E25-N29 PolarHBondContact O-ND2 3.19Å; Y27-N29 PolarHBondContact O-N 3.42Å; N29-T32 VanDerWaalsContact C-OG1 3.3Å; N29-T32 PolarHBondContact O-OG1 3.29Å; N29-Q33 PolarHBondContact O-NE2 3.31Å; N29-Q33 VanDerWaalsContact O-NE2 3.1Å; N29-Y249 PolarHBondContact OD1-OH 2.99Å
30	A	63	Low	63.6	Low	8 Å²	8	53.1 Å²	53.1	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-81.7	-37.8	173.2	0	0	0	0	0	110.6	N26 Y27 L28 T32 Q33 F36 L236	N26-A30 WeakPolarHBondContact O-CB 3.21Å; N26-A30 PolarHBondContact O-N 3.49Å; Y27-A30 WeakPolarHBondContact O-CB 3.26Å; Y27-A30 PolarHBondContact O-N 2.86Å; Y27-A30 VanDerWaalsContact O-N 3.08Å; L28-A30 PolarHBondContact O-N 3.26Å; A30-T32 PolarHBondContact O-N 2.87Å; A30-Q33 WeakPolarHBondContact O-CB 3.37Å; A30-Q33 PolarHBondContact O-N 3.26Å; A30-F36 HydrophobicContact CB-CD1 4.41Å; A30-F36 HydrophobicContact CB-CD2 4.39Å; A30-F36 HydrophobicContact CB-CG 4.32Å; A30-F36 WeakPolarHBondContact O-CB 3.31Å; A30-L236 HydrophobicContact CB-CD1 3.77Å
31	L	65.1	Low	63.8	Low	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-26.2	175.6	-68.2	-178.3	0	0	0	113.7	Y27 L28 Q33 T38 L236 L315 L319	Y27-L31 HydrophobicContact CD1-CD1 4.11Å; Y27-L31 HydrophobicContact CD1-CG 4.34Å; Y27-L31 HydrophobicContact CE1-CD1 3.72Å; Y27-L31 HydrophobicContact CE1-CD2 4.39Å; Y27-L31 HydrophobicContact CE1-CG 4.08Å; Y27-L31 PolarHBondContact O-N 3.48Å; Y27-L31 VanDerWaalsContact O-N 3.07Å; L28-L31 HydrophobicContact CD2-CD1 4.24Å; L28-L31 WeakPolarHBondContact O-CB 3.14Å; L28-L31 PolarHBondContact O-N 3.43Å; L28-L31 VanDerWaalsContact O-N 3.14Å; L31-Q33 VanDerWaalsContact C-N 3.25Å; L31-Q33 PolarHBondContact O-N 3.06Å; L31-T38 HydrophobicContact CD2-CG2 3.62Å; L31-L236 HydrophobicContact CD2-CD1 3.76Å; L31-L236 HydrophobicContact CG-CD1 4.33Å; L31-L315 HydrophobicContact CD1-CB 4.34Å; L31-L319 HydrophobicContact CB-CD1 3.94Å; L31-L319 HydrophobicContact CD1-CD1 4.44Å
32	T	61.4	Low	63.8	Low	23 Å²	23	43.7 Å²	43.7	14%	0.141	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.7	173.9	53.8	0	0	0	0	113.3	L28 N29 A30 L319 M323	L28-T32 PolarHBondContact O-N 2.87Å; N29-T32 VanDerWaalsContact C-OG1 3.3Å; N29-T32 PolarHBondContact O-OG1 3.29Å; A30-T32 PolarHBondContact O-N 2.87Å; T32-L319 HydrophobicContact CG2-CB 4.22Å; T32-L319 HydrophobicContact CG2-CD1 4.13Å; T32-L319 HydrophobicContact CG2-CD2 4.17Å; T32-L319 HydrophobicContact CG2-CG 4.42Å; T32-M323 VanDerWaalsContact CA-SD 3.59Å; T32-M323 WeakPolarHBondContact CB-SD 3.44Å; T32-M323 HydrophobicContact CG2-SD 3.7Å; T32-M323 VanDerWaalsContact O-CE 3.27Å; T32-M323 WeakPolarHBondContact O-CE 3.01Å
33	Q	58.1	Low	63.5	Low	96 Å²	96	48.1 Å²	48.1	45%	0.449	26%	0.258	S	S	.	.	S	Bend	trans	-92.5	132.3	-177.8	-66	173.1	33.1	0	0	110.9	N29 A30 L31 S35 F36	N29-Q33 PolarHBondContact O-NE2 3.31Å; N29-Q33 VanDerWaalsContact O-NE2 3.1Å; A30-Q33 WeakPolarHBondContact O-CB 3.37Å; A30-Q33 PolarHBondContact O-N 3.26Å; L31-Q33 VanDerWaalsContact C-N 3.25Å; L31-Q33 PolarHBondContact O-N 3.06Å; Q33-S35 PolarHBondContact O-N 3.41Å; Q33-F36 HydrophobicContact CB-CD2 3.82Å; Q33-F36 HydrophobicContact CB-CE2 4.33Å; Q33-F36 PolarHBondContact O-N 2.9Å
34	T	53.4	Low	62.7	Low	144 Å²	144	50.7 Å²	50.7	88%	0.883	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.3	-179.5	52	0	0	0	0	114	F36	T34-F36 VanDerWaalsContact C-N 3.26Å; T34-F36 PolarHBondContact O-N 2.96Å
35	S	54.2	Low	61.6	Low	48 Å²	48	50.3 Å²	50.3	34%	0.336	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.5	177	57.5	0	0	0	0	114.6	Q33 K234	Q33-S35 PolarHBondContact O-N 3.41Å; S35-K234 PolarHBondContact O-N 3.48Å
36	F	52.1	Low	60.7	Low	28 Å²	28	49.9 Å²	49.9	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134	-179.3	-64.8	-94.7	0	0	0	111.6	A30 Q33 T34 K234 L236 K320	A30-F36 HydrophobicContact CB-CD1 4.41Å; A30-F36 HydrophobicContact CB-CD2 4.39Å; A30-F36 HydrophobicContact CB-CG 4.32Å; A30-F36 WeakPolarHBondContact O-CB 3.31Å; Q33-F36 HydrophobicContact CB-CD2 3.82Å; Q33-F36 HydrophobicContact CB-CE2 4.33Å; Q33-F36 PolarHBondContact O-N 2.9Å; T34-F36 VanDerWaalsContact C-N 3.26Å; T34-F36 PolarHBondContact O-N 2.96Å; F36-K234 WeakPolarHBondContact CA-O 3.47Å; F36-K234 HydrophobicContact CD1-CB 3.54Å; F36-K234 WeakPolarHBondContact CD1-O 3.42Å; F36-K234 HydrophobicContact CE1-CB 3.45Å; F36-K234 VanDerWaalsContact CE1-CB 3.45Å; F36-K234 HydrophobicContact CE1-CD 3.67Å; F36-K234 HydrophobicContact CE1-CG 4.19Å; F36-K234 HydrophobicContact CG-CB 4.43Å; F36-K234 HydrophobicContact CZ-CB 4.26Å; F36-K234 HydrophobicContact CZ-CD 3.83Å; F36-L236 HydrophobicContact CB-CD1 3.94Å; F36-L236 HydrophobicContact CB-CG 4.36Å; F36-L236 HydrophobicContact CD1-CD1 3.92Å; F36-L236 HydrophobicContact CD1-CD2 3.94Å; F36-L236 HydrophobicContact CD1-CG 3.75Å; F36-L236 HydrophobicContact CE1-CD2 4.25Å; F36-L236 HydrophobicContact CG-CD1 4.2Å; F36-L236 HydrophobicContact CG-CG 4.46Å; F36-K320 PolarHBondContact O-NZ 3.42Å; F36-K320 VanDerWaalsContact O-NZ 3.12Å
37	I	60.4	Low	59.9	Low	17 Å²	17	48.4 Å²	48.4	9%	0.087	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.5	170.2	62.8	178.2	0	0	0	108.8	E41 E42 T233 K234 V235 L236	I37-E41 WeakPolarHBondContact CA-OE2 3.49Å; I37-E41 HydrophobicContact CB-CB 4.2Å; I37-E41 WeakPolarHBondContact CB-OE2 3.22Å; I37-E42 HydrophobicContact CD1-CB 3.68Å; I37-E42 HydrophobicContact CD1-CG 4.12Å; I37-E42 HydrophobicContact CG1-CB 4.34Å; I37-T233 HydrophobicContact CD1-CG2 3.99Å; I37-T233 HydrophobicContact CG1-CG2 3.93Å; I37-T233 HydrophobicContact CG2-CG2 4.34Å; I37-K234 PolarHBondContact N-O 3.37Å; I37-V235 HydrophobicContact CG1-CG2 4.35Å; I37-V235 WeakPolarHBondContact O-CA 3.36Å; I37-L236 PolarHBondContact O-N 2.92Å
38	T	63.6	Low	59.4	Low	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	157.1	169.8	80.9	0	0	0	0	109.8	L31 A40 E41 E42 D238	L31-T38 HydrophobicContact CD2-CG2 3.62Å; T38-A40 PolarHBondContact O-N 3.45Å; T38-A40 PolarHBondContact OG1-N 3.5Å; T38-E41 PolarHBondContact N-OE2 2.97Å; T38-E41 WeakPolarHBondContact O-CB 3.33Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E41 WeakPolarHBondContact OG1-CG 3.48Å; T38-E41 PolarHBondContact OG1-N 3Å; T38-E41 VanDerWaalsContact OG1-N 3.17Å; T38-E42 PolarHBondContact O-N 2.9Å; T38-D238 VanDerWaalsContact CB-OD1 3.31Å; T38-D238 WeakPolarHBondContact CB-OD1 3.23Å; T38-D238 PolarHBondContact OG1-OD1 3.4Å
39	K	63.2	Low	59.2	Low	101 Å²	101	55.9 Å²	55.9	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-58.2	-38.2	174.8	-171.2	-178.8	178	-164	0	111.7	E41 E42 E43 V235 L236 D238	K39-E41 VanDerWaalsContact C-N 3.32Å; K39-E41 PolarHBondContact O-N 2.99Å; K39-E42 WeakPolarHBondContact O-CB 3.5Å; K39-E42 PolarHBondContact O-N 3.19Å; K39-E43 VanDerWaalsContact CE-OE1 3.26Å; K39-E43 WeakPolarHBondContact CE-OE1 3.45Å; K39-E43 IonicContact NZ-OE1 2.72Å; K39-E43 WeakPolarHBondContact O-CG 3.17Å; K39-E43 PolarHBondContact O-N 2.91Å; K39-V235 HydrophobicContact CB-CG1 3.94Å; K39-V235 HydrophobicContact CG-CG1 4.43Å; K39-L236 PolarHBondContact N-O 3.47Å; K39-D238 PolarHBondContact N-OD1 3.26Å
40	A	62.5	Low	59.3	Low	18 Å²	18	53.1 Å²	53.1	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-68.1	-26.3	174.6	0	0	0	0	0	114.4	T38 E44 D238 K313	T38-A40 PolarHBondContact O-N 3.45Å; T38-A40 PolarHBondContact OG1-N 3.5Å; A40-E44 WeakPolarHBondContact O-CB 3.08Å; A40-E44 PolarHBondContact O-N 2.92Å; A40-D238 PolarHBondContact N-OD1 3.1Å; A40-D238 VanDerWaalsContact N-OD1 3.15Å; A40-D238 PolarHBondContact N-OD2 3.03Å; A40-K313 HydrophobicContact CB-CB 4.16Å; A40-K313 HydrophobicContact CB-CD 3.74Å; A40-K313 HydrophobicContact CB-CG 4.12Å
41	E	58.8	Low	60	Low	25 Å²	25	54.3 Å²	54.3	12%	0.117	31%	0.305	C	S	.	.	H	α-helix	trans	-74.8	-39.7	170.8	-72.3	177	150.4	0	0	111.2	I37 T38 K39 E44 L45 S316 K320	I37-E41 WeakPolarHBondContact CA-OE2 3.49Å; I37-E41 HydrophobicContact CB-CB 4.2Å; I37-E41 WeakPolarHBondContact CB-OE2 3.22Å; T38-E41 PolarHBondContact N-OE2 2.97Å; T38-E41 WeakPolarHBondContact O-CB 3.33Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E41 WeakPolarHBondContact OG1-CG 3.48Å; T38-E41 PolarHBondContact OG1-N 3Å; T38-E41 VanDerWaalsContact OG1-N 3.17Å; K39-E41 VanDerWaalsContact C-N 3.32Å; K39-E41 PolarHBondContact O-N 2.99Å; E41-E44 PolarHBondContact O-N 3.21Å; E41-L45 WeakPolarHBondContact O-CB 3.01Å; E41-L45 VanDerWaalsContact O-CG 3.29Å; E41-L45 WeakPolarHBondContact O-CG 3.13Å; E41-L45 PolarHBondContact O-N 2.95Å; E41-S316 VanDerWaalsContact OE1-CB 3.3Å; E41-S316 WeakPolarHBondContact OE1-CB 3.14Å; E41-S316 PolarHBondContact OE1-OG 2.9Å; E41-S316 PolarHBondContact OE2-OG 3.49Å; E41-K320 IonicContact OE1-NZ 3.35Å; E41-K320 PolarHBondContact OE1-NZ 3.07Å; E41-K320 IonicContact OE2-NZ 3.14Å; E41-K320 PolarHBondContact OE2-NZ 2.91Å
42	E	59.4	Low	60.4	Low	39 Å²	39	54.4 Å²	54.4	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-48.2	174.5	-176.9	-171.9	-161.9	0	0	111.4	I37 T38 K39 E44 L45 A46 I229 V235	I37-E42 HydrophobicContact CD1-CB 3.68Å; I37-E42 HydrophobicContact CD1-CG 4.12Å; I37-E42 HydrophobicContact CG1-CB 4.34Å; T38-E42 PolarHBondContact O-N 2.9Å; K39-E42 WeakPolarHBondContact O-CB 3.5Å; K39-E42 PolarHBondContact O-N 3.19Å; E42-E44 VanDerWaalsContact C-N 3.28Å; E42-E44 PolarHBondContact O-N 3.06Å; E42-L45 PolarHBondContact O-N 3.46Å; E42-A46 WeakPolarHBondContact O-CB 3.41Å; E42-A46 PolarHBondContact O-N 3.38Å; E42-I229 WeakPolarHBondContact OE1-CD1 3.47Å; E42-I229 VanDerWaalsContact OE1-CG1 3.27Å; E42-I229 WeakPolarHBondContact OE1-CG1 3.37Å; E42-V235 HydrophobicContact CG-CG2 4.49Å; E42-V235 VanDerWaalsContact OE2-CG1 3.27Å; E42-V235 WeakPolarHBondContact OE2-CG1 3.46Å; E42-V235 WeakPolarHBondContact OE2-CG2 3.46Å
43	E	56.6	Low	61.2	Low	117 Å²	117	55.5 Å²	55.5	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-35.1	177.6	-72.5	174.9	-176.4	0	0	112.1	K39	K39-E43 VanDerWaalsContact CE-OE1 3.26Å; K39-E43 WeakPolarHBondContact CE-OE1 3.45Å; K39-E43 IonicContact NZ-OE1 2.72Å; K39-E43 WeakPolarHBondContact O-CG 3.17Å; K39-E43 PolarHBondContact O-N 2.91Å
44	E	57.6	Low	62	Low	112 Å²	112	51.3 Å²	51.3	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-72	-38	176.4	-172.7	172.6	173.3	0	0	112.5	A40 E41 E42 K313	A40-E44 WeakPolarHBondContact O-CB 3.08Å; A40-E44 PolarHBondContact O-N 2.92Å; E41-E44 PolarHBondContact O-N 3.21Å; E42-E44 VanDerWaalsContact C-N 3.28Å; E42-E44 PolarHBondContact O-N 3.06Å; E44-K313 WeakPolarHBondContact OE2-CE 3.44Å; E44-K313 IonicContact OE2-NZ 2.92Å; E44-K313 PolarHBondContact OE2-NZ 3.26Å
45	L	51.8	Low	63	Low	53 Å²	53	44.5 Å²	44.5	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-79.6	-33.6	-179.4	-72.6	169.9	0	0	0	113.3	E41 E42 G47	E41-L45 WeakPolarHBondContact O-CB 3.01Å; E41-L45 VanDerWaalsContact O-CG 3.29Å; E41-L45 WeakPolarHBondContact O-CG 3.13Å; E41-L45 PolarHBondContact O-N 2.95Å; E42-L45 PolarHBondContact O-N 3.46Å; L45-G47 VanDerWaalsContact C-N 3.27Å; L45-G47 PolarHBondContact O-N 3.34Å
46	A	53.4	Low	64	Low	75 Å²	75	42.2 Å²	42.2	62%	0.62	23%	0.233	S	C	*	.	H	α-helix	trans	-75.8	-14.9	-176.4	0	0	0	0	0	113.3	E42	E42-A46 WeakPolarHBondContact O-CB 3.41Å; E42-A46 PolarHBondContact O-N 3.38Å
47	G	55.1	Low	65	Low	52 Å²	52	44.6 Å²	44.6	54%	0.536	24%	0.244	S	C	.	.			trans	-145	20.9	-164.9	0	0	0	0	0	116.5	L45 P49	L45-G47 VanDerWaalsContact C-N 3.27Å; L45-G47 PolarHBondContact O-N 3.34Å; G47-P49 WeakPolarHBondContact O-CD 3.25Å; G47-P49 VanDerWaalsContact O-N 3.16Å
48	R	60.9	Low	65.4	Low	95 Å²	95	44.9 Å²	44.9	36%	0.358	25%	0.245	S	C	.	.			trans	-69.4	109.5	177.1	-172.6	171.4	176.2	-179.4	-4.3	110.3	I50 D212	R48-I50 PolarHBondContact O-N 3.41Å; R48-D212 IonicContact CZ-OD1 3.58Å; R48-D212 IonicContact NH2-OD1 2.64Å; R48-D212 PolarHBondContact NH2-OD1 3.45Å
49	P	65.8	Low	65.6	Low	64 Å²	64	44.9 Å²	44.9	42%	0.416	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	132.2	162.2	25.8	-32.6	0	0	0	109.1	G47 D185	G47-P49 WeakPolarHBondContact O-CD 3.25Å; G47-P49 VanDerWaalsContact O-N 3.16Å; P49-D185 HydrophobicContact CB-CB 3.47Å; P49-D185 VanDerWaalsContact CB-CB 3.47Å
50	I	69.5	Low	66	Low	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.3	172	-50.7	179.1	0	0	0	107.6	R48 G52 A54 V55 V186 A188 V191 Y215 L216 L219	R48-I50 PolarHBondContact O-N 3.41Å; I50-G52 PolarHBondContact O-N 2.84Å; I50-A54 HydrophobicContact CG2-CB 4.41Å; I50-V55 HydrophobicContact CB-CG2 3.94Å; I50-V55 HydrophobicContact CG2-CG2 3.58Å; I50-V186 PolarHBondContact N-O 3.24Å; I50-V186 PolarHBondContact O-N 3.45Å; I50-A188 HydrophobicContact CD1-CB 4.11Å; I50-A188 HydrophobicContact CG1-CB 4.38Å; I50-V191 HydrophobicContact CD1-CG2 4.23Å; I50-Y215 HydrophobicContact CD1-CD1 3.63Å; I50-Y215 HydrophobicContact CD1-CE1 3.75Å; I50-Y215 HydrophobicContact CG1-CD1 4.18Å; I50-Y215 HydrophobicContact CG1-CE1 4.21Å; I50-L216 HydrophobicContact CD1-CD2 3.8Å; I50-L216 HydrophobicContact CD1-CG 4.47Å; I50-L216 HydrophobicContact CG2-CD1 4.48Å; I50-L216 HydrophobicContact CG2-CD2 4.39Å; I50-L219 HydrophobicContact CD1-CD1 3.61Å
51	P	77.2	Confident	66	Low	34 Å²	34	43.1 Å²	43.1	22%	0.221	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	130.1	177	-24.1	33.1	0	0	0	111.3	H53 A54 V55	P51-H53 WeakPolarHBondContact CB-CE1 3.37Å; P51-H53 PolarHBondContact O-N 2.83Å; P51-H53 VanDerWaalsContact O-N 3.13Å; P51-A54 WeakPolarHBondContact O-CB 3.31Å; P51-A54 PolarHBondContact O-N 3.16Å; P51-V55 PolarHBondContact O-N 3.07Å
52	G	73.9	Confident	65.8	Low	1 Å²	1	44.7 Å²	44.7	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-32.1	-175	0	0	0	0	0	114	I50 V55 S56 M184	I50-G52 PolarHBondContact O-N 2.84Å; G52-V55 PolarHBondContact O-N 2.85Å; G52-S56 VanDerWaalsContact O-CB 3.26Å; G52-S56 WeakPolarHBondContact O-CB 3.38Å; G52-S56 PolarHBondContact O-N 2.69Å; G52-M184 WeakPolarHBondContact CA-O 3.31Å; G52-M184 PolarHBondContact N-O 3.03Å
53	H	78.3	Confident	65.5	Low	47 Å²	47	47.7 Å²	47.7	22%	0.218	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-39.6	176	64.2	-93.5	0	0	0	112.2	P51 V55 S56 H57 T161 T163 E164	P51-H53 WeakPolarHBondContact CB-CE1 3.37Å; P51-H53 PolarHBondContact O-N 2.83Å; P51-H53 VanDerWaalsContact O-N 3.13Å; H53-V55 VanDerWaalsContact C-N 3.34Å; H53-S56 WeakPolarHBondContact O-CB 3.34Å; H53-S56 PolarHBondContact O-N 2.87Å; H53-H57 PolarHBondContact O-CD2 2.88Å; H53-H57 PolarHBondContact O-N 3.18Å; H53-T161 HydrophobicContact CB-CG2 4.2Å; H53-T161 VanDerWaalsContact CB-OG1 3.25Å; H53-T161 WeakPolarHBondContact CB-OG1 3.34Å; H53-T163 HydrophobicContact CB-CG2 4.28Å; H53-E164 HydrophobicContact CB-CG 3.95Å
54	A	74.8	Confident	64.7	Low	8 Å²	8	49.2 Å²	49.2	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-41.7	176.9	0	0	0	0	0	110.8	I50 P51 F58 D212 L216	I50-A54 HydrophobicContact CG2-CB 4.41Å; P51-A54 WeakPolarHBondContact O-CB 3.31Å; P51-A54 PolarHBondContact O-N 3.16Å; A54-F58 WeakPolarHBondContact O-CB 3.37Å; A54-F58 PolarHBondContact O-N 3.3Å; A54-F58 VanDerWaalsContact O-N 3.09Å; A54-D212 HydrophobicContact CB-CB 3.56Å; A54-L216 WeakPolarHBondContact O-CD1 3.49Å
55	V	73.8	Confident	63.5	Low	0 Å²	0	51 Å²	51	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-46.6	173.4	-175.6	0	0	0	0	111	I50 P51 G52 H53 F58 L59 L151 L154 V186 V191 L216	I50-V55 HydrophobicContact CB-CG2 3.94Å; I50-V55 HydrophobicContact CG2-CG2 3.58Å; P51-V55 PolarHBondContact O-N 3.07Å; G52-V55 PolarHBondContact O-N 2.85Å; H53-V55 VanDerWaalsContact C-N 3.34Å; V55-F58 PolarHBondContact O-N 2.9Å; V55-L59 HydrophobicContact CG1-CD1 3.68Å; V55-L59 HydrophobicContact CG1-CG 4.15Å; V55-L59 WeakPolarHBondContact O-CB 3.5Å; V55-L59 VanDerWaalsContact O-CG 3.29Å; V55-L59 WeakPolarHBondContact O-CG 3.23Å; V55-L59 PolarHBondContact O-N 3.3Å; V55-L151 HydrophobicContact CG1-CD2 3.56Å; V55-L154 HydrophobicContact CB-CD1 4.35Å; V55-L154 HydrophobicContact CG1-CD1 4.34Å; V55-V186 HydrophobicContact CG2-CB 4.42Å; V55-V186 HydrophobicContact CG2-CG2 4.41Å; V55-V191 HydrophobicContact CG1-CG2 4.47Å; V55-V191 HydrophobicContact CG2-CG2 4.3Å; V55-L216 HydrophobicContact CG2-CD2 4.17Å
56	S	76.3	Confident	62.5	Low	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.1	-52	177.6	-170.7	0	0	0	0	111.8	G52 H53 F58 L59 K60 L154 E164	G52-S56 VanDerWaalsContact O-CB 3.26Å; G52-S56 WeakPolarHBondContact O-CB 3.38Å; G52-S56 PolarHBondContact O-N 2.69Å; H53-S56 WeakPolarHBondContact O-CB 3.34Å; H53-S56 PolarHBondContact O-N 2.87Å; S56-F58 VanDerWaalsContact C-N 3.34Å; S56-F58 PolarHBondContact O-N 3.26Å; S56-L59 PolarHBondContact O-N 2.82Å; S56-K60 VanDerWaalsContact O-CB 3.32Å; S56-K60 WeakPolarHBondContact O-CB 3.26Å; S56-K60 WeakPolarHBondContact O-CD 3.19Å; S56-K60 VanDerWaalsContact O-CG 3.22Å; S56-K60 WeakPolarHBondContact O-CG 3.3Å; S56-K60 PolarHBondContact O-N 3.24Å; S56-K60 WeakPolarHBondContact OG-CE 3.29Å; S56-K60 PolarHBondContact OG-NZ 3.42Å; S56-L154 PolarHBondContact OG-O 2.78Å; S56-E164 WeakPolarHBondContact CB-OE2 3.36Å; S56-E164 PolarHBondContact OG-OE1 3.45Å; S56-E164 PolarHBondContact OG-OE2 3.46Å
57	H	73.2	Confident	61.4	Low	79 Å²	79	54.8 Å²	54.8	37%	0.366	31%	0.313	S	S	.	.	H	α-helix	trans	-57.4	-46	177.1	-86	-66.5	0	0	0	112.4	H53 A61 E164 M213	H53-H57 PolarHBondContact O-CD2 2.88Å; H53-H57 PolarHBondContact O-N 3.18Å; H57-A61 WeakPolarHBondContact O-CB 3.46Å; H57-A61 PolarHBondContact O-N 2.96Å; H57-E164 IonicContact CD2-OE1 2.74Å; H57-E164 IonicContact CE1-OE1 2.72Å; H57-E164 IonicContact NE2-OE1 3.1Å; H57-M213 HydrophobicContact CB-CE 4.39Å; H57-M213 HydrophobicContact CB-SD 4.35Å
58	F	68.8	Low	60.5	Low	22 Å²	22	62.3 Å²	62.3	10%	0.096	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-48.6	179.9	-174	-97.7	0	0	0	112.4	A54 V55 S56 K60 A61 L62 L195 M213 L216 A217	A54-F58 WeakPolarHBondContact O-CB 3.37Å; A54-F58 PolarHBondContact O-N 3.3Å; A54-F58 VanDerWaalsContact O-N 3.09Å; V55-F58 PolarHBondContact O-N 2.9Å; S56-F58 VanDerWaalsContact C-N 3.34Å; S56-F58 PolarHBondContact O-N 3.26Å; F58-K60 PolarHBondContact O-N 3.01Å; F58-A61 WeakPolarHBondContact O-CB 3.32Å; F58-A61 PolarHBondContact O-N 3.45Å; F58-L62 HydrophobicContact CD1-CD1 3.91Å; F58-L62 HydrophobicContact CE1-CD1 3.49Å; F58-L62 VanDerWaalsContact CE1-CD1 3.49Å; F58-L62 HydrophobicContact CE1-CG 4.38Å; F58-L62 HydrophobicContact CZ-CD1 4.14Å; F58-L62 PolarHBondContact O-N 3.35Å; F58-L62 VanDerWaalsContact O-N 3.12Å; F58-L195 HydrophobicContact CD1-CD2 4.23Å; F58-L195 HydrophobicContact CE1-CD1 4.17Å; F58-L195 HydrophobicContact CE1-CD2 3.75Å; F58-M213 HydrophobicContact CB-CE 4.2Å; F58-M213 HydrophobicContact CB-SD 3.8Å; F58-M213 HydrophobicContact CD2-CE 4.18Å; F58-M213 HydrophobicContact CD2-SD 4.11Å; F58-M213 HydrophobicContact CG-SD 4.47Å; F58-L216 HydrophobicContact CB-CB 4.23Å; F58-L216 HydrophobicContact CB-CD1 3.51Å; F58-L216 HydrophobicContact CB-CG 4.42Å; F58-L216 HydrophobicContact CD1-CB 3.71Å; F58-L216 HydrophobicContact CD1-CD1 4.42Å; F58-L216 HydrophobicContact CD1-CG 4.49Å; F58-L216 HydrophobicContact CD2-CB 3.7Å; F58-L216 HydrophobicContact CD2-CD1 4.38Å; F58-L216 HydrophobicContact CE1-CB 3.92Å; F58-L216 HydrophobicContact CE2-CB 3.92Å; F58-L216 HydrophobicContact CG-CB 3.6Å; F58-L216 HydrophobicContact CG-CD1 3.87Å; F58-L216 HydrophobicContact CG-CG 4.29Å; F58-L216 HydrophobicContact CZ-CB 4.04Å; F58-A217 HydrophobicContact CE2-CB 4.03Å; F58-A217 HydrophobicContact CZ-CB 4.2Å
59	L	67.8	Low	59.4	Low	1 Å²	1	62 Å²	62	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-67.4	-38.1	-178.6	-66.5	177.9	0	0	0	112	V55 S56 L62 Y63 L151 F194 L195	V55-L59 HydrophobicContact CG1-CD1 3.68Å; V55-L59 HydrophobicContact CG1-CG 4.15Å; V55-L59 WeakPolarHBondContact O-CB 3.5Å; V55-L59 VanDerWaalsContact O-CG 3.29Å; V55-L59 WeakPolarHBondContact O-CG 3.23Å; V55-L59 PolarHBondContact O-N 3.3Å; S56-L59 PolarHBondContact O-N 2.82Å; L59-L62 HydrophobicContact CD2-CD1 4.46Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-L62 PolarHBondContact O-N 2.84Å; L59-Y63 PolarHBondContact O-N 2.94Å; L59-L151 HydrophobicContact CD1-CD2 4.24Å; L59-F194 HydrophobicContact CD1-CD1 4.34Å; L59-F194 HydrophobicContact CD1-CE1 3.97Å; L59-F194 HydrophobicContact CD2-CD1 4.02Å; L59-F194 HydrophobicContact CD2-CE1 3.82Å; L59-L195 HydrophobicContact CD2-CD2 3.57Å
60	K	70.7	Confident	57.8	Low	24 Å²	24	68.7 Å²	68.7	10%	0.104	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-37.4	174.7	-71.7	169.2	-173.9	169.3	0	112.1	S56 F58 L62 Y63 L64 S156 F159 E164	S56-K60 VanDerWaalsContact O-CB 3.32Å; S56-K60 WeakPolarHBondContact O-CB 3.26Å; S56-K60 WeakPolarHBondContact O-CD 3.19Å; S56-K60 VanDerWaalsContact O-CG 3.22Å; S56-K60 WeakPolarHBondContact O-CG 3.3Å; S56-K60 PolarHBondContact O-N 3.24Å; S56-K60 WeakPolarHBondContact OG-CE 3.29Å; S56-K60 PolarHBondContact OG-NZ 3.42Å; F58-K60 PolarHBondContact O-N 3.01Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-L62 PolarHBondContact O-N 3.48Å; K60-Y63 PolarHBondContact O-N 2.86Å; K60-L64 WeakPolarHBondContact O-CG 3.43Å; K60-L64 PolarHBondContact O-N 3.14Å; K60-S156 WeakPolarHBondContact CE-O 3.38Å; K60-F159 WeakPolarHBondContact CE-O 3.27Å; K60-F159 PolarHBondContact NZ-O 3.42Å; K60-E164 IonicContact NZ-OE1 3.95Å; K60-E164 PolarHBondContact NZ-OE1 2.8Å; K60-E164 IonicContact NZ-OE2 2.73Å; K60-E164 PolarHBondContact NZ-OE2 3.1Å
61	A	61.7	Low	56.6	Low	57 Å²	57	73.3 Å²	73.3	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-60.5	-41	174.1	0	0	0	0	0	111.4	H57 F58	H57-A61 WeakPolarHBondContact O-CB 3.46Å; H57-A61 PolarHBondContact O-N 2.96Å; F58-A61 WeakPolarHBondContact O-CB 3.32Å; F58-A61 PolarHBondContact O-N 3.45Å
62	L	55.1	Low	54.8	Low	59 Å²	59	75.5 Å²	75.5	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-39.3	173.5	-73.1	168.4	0	0	0	112.8	F58 L59 K60 L195 V200	F58-L62 HydrophobicContact CD1-CD1 3.91Å; F58-L62 HydrophobicContact CE1-CD1 3.49Å; F58-L62 VanDerWaalsContact CE1-CD1 3.49Å; F58-L62 HydrophobicContact CE1-CG 4.38Å; F58-L62 HydrophobicContact CZ-CD1 4.14Å; F58-L62 PolarHBondContact O-N 3.35Å; F58-L62 VanDerWaalsContact O-N 3.12Å; L59-L62 HydrophobicContact CD2-CD1 4.46Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-L62 PolarHBondContact O-N 2.84Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-L62 PolarHBondContact O-N 3.48Å; L62-L195 HydrophobicContact CD1-CD2 4.01Å; L62-V200 HydrophobicContact CD1-CG2 4.33Å; L62-V200 HydrophobicContact CD2-CG1 4.13Å
63	Y	54	Low	53.4	Low	102 Å²	102	87.2 Å²	87.2	40%	0.4	45%	0.45	S	S	.	.	H	α-helix	trans	-75.9	-22.1	-177.4	-103.4	-85.2	0	0	0	114.8	L59 K60 D65 L66	L59-Y63 PolarHBondContact O-N 2.94Å; K60-Y63 PolarHBondContact O-N 2.86Å; Y63-D65 PolarHBondContact O-N 2.69Å; Y63-D65 VanDerWaalsContact O-N 3.1Å; Y63-L66 PolarHBondContact O-N 3.22Å; Y63-L66 VanDerWaalsContact O-N 3.09Å
64	L	38.2	Very low	52.2	Low	148 Å²	148	90.7 Å²	90.7	78%	0.775	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.3	-178.1	-85.5	163.4	0	0	0	113.7	K60 L66	K60-L64 WeakPolarHBondContact O-CG 3.43Å; K60-L64 PolarHBondContact O-N 3.14Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 PolarHBondContact O-N 3.48Å
65	D	34.2	Very low	51.9	Low	149 Å²	149	95.2 Å²	95.2	80%	0.797	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.6	175.4	-88.9	-22.5	0	0	0	114.7	Y63	Y63-D65 PolarHBondContact O-N 2.69Å; Y63-D65 VanDerWaalsContact O-N 3.1Å
66	L	29.9	Very low	51.4	Low	140 Å²	140	98.4 Å²	98.4	73%	0.733	50%	0.504	S	S	*	.	S	Bend	trans	-107.8	73.7	-176.2	-63.2	172.2	0	0	0	111.9	Y63 L64	Y63-L66 PolarHBondContact O-N 3.22Å; Y63-L66 VanDerWaalsContact O-N 3.09Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 PolarHBondContact O-N 3.48Å
67	G	30.2	Very low	51.1	Low	68 Å²	68	109 Å²	109	70%	0.701	54%	0.544	S	S	*	.			trans	-69.4	155.5	164.8	0	0	0	0	0	112
68	K	35.9	Very low	51.2	Low	211 Å²	211	109.8 Å²	109.8	92%	0.917	56%	0.555	S	S	*	*				-160.5	160.2	51.4	-78.7	175.8	175.9	172.6	0	112.3
69	P	39.2	Very low	51.7	Low	89 Å²	89	109 Å²	109	58%	0.578	55%	0.552	S	S	*	*			trans	-101.1	154	177.6	38.2	-30.5	0	0	0	113.4	Y90	P69-Y90 HydrophobicContact CB-CE1 4.49Å
70	F	32	Very low	52.4	Low	203 Å²	203	112.1 Å²	112.1	89%	0.89	57%	0.57	S	S	*	*			trans	-160.8	115.7	157.2	-121.3	-85.3	0	0	0	110.4
71	F	43.9	Very low	52.8	Low	97 Å²	97	112.8 Å²	112.8	43%	0.425	58%	0.575	S	S	.	*			trans	-137.5	131.8	169.6	-67.7	-85.7	0	0	0	111.7	E86 Y90	F71-E86 VanDerWaalsContact CE1-OE1 3.28Å; F71-E86 WeakPolarHBondContact CE1-OE1 3.42Å; F71-E86 WeakPolarHBondContact CZ-OE1 3.25Å; F71-Y90 HydrophobicContact CD2-CE2 4.36Å; F71-Y90 HydrophobicContact CE2-CE1 4.46Å; F71-Y90 HydrophobicContact CE2-CE2 4.13Å; F71-Y90 AromaticContact CE2-CZ 3.65Å; F71-Y90 WeakPolarHBondContact CE2-OH 3.46Å
72	A	39.7	Very low	53.3	Low	81 Å²	81	113.6 Å²	113.6	67%	0.669	57%	0.569	S	S	*	*			trans	-70.3	154.2	178.7	0	0	0	0	0	112.5	K74 R87	A72-K74 PolarHBondContact O-N 2.97Å; A72-R87 PolarHBondContact O-NH2 3.42Å
73	R	44.2	Very low	54.3	Low	246 Å²	246	112.9 Å²	112.9	93%	0.928	56%	0.564	S	S	*	*			trans	-72.9	100.9	177.2	-73.6	179.2	176.8	174.3	-1.5	110.2
74	K	52.7	Low	55.5	Low	121 Å²	121	108.5 Å²	108.5	53%	0.526	55%	0.547	S	S	.	.			trans	-96.7	160.1	160.1	-84.2	-173.2	179.9	177.6	0	109.8	A72 L76 E83	A72-K74 PolarHBondContact O-N 2.97Å; K74-L76 PolarHBondContact O-N 3.32Å; K74-E83 IonicContact NZ-OE1 2.66Å; K74-E83 PolarHBondContact NZ-OE1 3.5Å; K74-E83 IonicContact NZ-OE2 4Å
75	D	67.9	Low	57.1	Low	103 Å²	103	101.8 Å²	101.8	55%	0.551	51%	0.513	S	S	*	.			trans	-65.2	119.6	171.5	-173.3	-13	0	0	0	110.3	R77 T78	D75-R77 PolarHBondContact O-N 2.78Å; D75-R77 PolarHBondContact OD1-N 3.41Å; D75-T78 PolarHBondContact O-N 3.2Å; D75-T78 VanDerWaalsContact O-N 3.08Å; D75-T78 PolarHBondContact O-OG1 3.48Å
76	L	62.7	Low	58.7	Low	66 Å²	66	97.7 Å²	97.7	35%	0.346	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.8	-171.7	-62	169	0	0	0	113.2	K74 T78 L79 Y93 V114	K74-L76 PolarHBondContact O-N 3.32Å; L76-T78 VanDerWaalsContact C-N 3.26Å; L76-T78 PolarHBondContact O-N 2.77Å; L76-L79 HydrophobicContact CB-CD1 4.44Å; L76-L79 HydrophobicContact CD2-CD1 3.98Å; L76-L79 WeakPolarHBondContact O-CG 3.47Å; L76-Y93 HydrophobicContact CD2-CE1 4.17Å; L76-V114 HydrophobicContact CD1-CG1 3.28Å
77	R	70.1	Confident	60.6	Low	224 Å²	224	92.1 Å²	92.1	85%	0.845	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-76.4	-15.3	177.6	-66.3	-177.1	177.1	-173.3	-0.8	113.2	D75	D75-R77 PolarHBondContact O-N 2.78Å; D75-R77 PolarHBondContact OD1-N 3.41Å
78	T	76.3	Confident	62.5	Low	94 Å²	94	89.1 Å²	89.1	58%	0.577	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-106	9.1	-176.2	60.9	0	0	0	0	113.7	D75 L76 T80	D75-T78 PolarHBondContact O-N 3.2Å; D75-T78 VanDerWaalsContact O-N 3.08Å; D75-T78 PolarHBondContact O-OG1 3.48Å; L76-T78 VanDerWaalsContact C-N 3.26Å; L76-T78 PolarHBondContact O-N 2.77Å; T78-T80 PolarHBondContact O-N 3.18Å
79	L	79.8	Confident	63.7	Low	7 Å²	7	80.7 Å²	80.7	4%	0.037	39%	0.391	C	S	.	.			trans	-64.7	136	-179.8	-62.1	173	0	0	0	110.7	L76 E83 R87 M116 R119	L76-L79 HydrophobicContact CB-CD1 4.44Å; L76-L79 HydrophobicContact CD2-CD1 3.98Å; L76-L79 WeakPolarHBondContact O-CG 3.47Å; L79-E83 HydrophobicContact CB-CB 4.11Å; L79-E83 HydrophobicContact CD2-CB 3.92Å; L79-R87 HydrophobicContact CD1-CG 4.3Å; L79-M116 HydrophobicContact CD1-CE 3.62Å; L79-R119 PolarHBondContact O-NH1 2.95Å
80	T	81.8	Confident	64.6	Low	65 Å²	65	78.8 Å²	78.8	40%	0.399	37%	0.373	S	S	.	.			trans	-65.9	164.8	165.8	75.9	0	0	0	0	110	T78 E82 E83 Y84	T78-T80 PolarHBondContact O-N 3.18Å; T80-E82 PolarHBondContact O-N 2.98Å; T80-E82 PolarHBondContact OG1-OE2 3.46Å; T80-E83 PolarHBondContact N-OE2 3.14Å; T80-E83 PolarHBondContact O-N 3.19Å; T80-E83 PolarHBondContact OG1-N 3.34Å; T80-Y84 VanDerWaalsContact O-CB 3.25Å; T80-Y84 WeakPolarHBondContact O-CB 3.1Å; T80-Y84 PolarHBondContact O-N 2.83Å
81	D	78.8	Confident	65.8	Low	38 Å²	38	74.1 Å²	74.1	20%	0.203	36%	0.362	C	S	.	.	H	α-helix	trans	-58.9	-37.9	176.5	-71.8	-54.3	0	0	0	111.4	A85 R119 V125	D81-A85 VanDerWaalsContact O-CB 3.25Å; D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 2.8Å; D81-R119 IonicContact OD1-CZ 3.26Å; D81-R119 IonicContact OD1-NE 3.71Å; D81-R119 PolarHBondContact OD1-NE 3.16Å; D81-R119 IonicContact OD1-NH1 3.88Å; D81-R119 IonicContact OD1-NH2 3.92Å; D81-R119 PolarHBondContact OD1-NH2 2.78Å; D81-R119 IonicContact OD2-NH2 3.81Å; D81-R119 PolarHBondContact OD2-NH2 3.14Å; D81-R119 VanDerWaalsContact OD2-NH2 3.14Å; D81-V125 HydrophobicContact CB-CB 4.45Å; D81-V125 HydrophobicContact CB-CG1 4.06Å; D81-V125 HydrophobicContact CB-CG2 3.83Å
82	E	73.6	Confident	66.7	Low	74 Å²	74	75.1 Å²	75.1	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-49.9	174.8	-63.6	74.4	-170.4	0	0	111.6	T80 Y84 A85 E86 V125	T80-E82 PolarHBondContact O-N 2.98Å; T80-E82 PolarHBondContact OG1-OE2 3.46Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 3.04Å; E82-A85 PolarHBondContact O-N 2.95Å; E82-E86 VanDerWaalsContact O-CB 3.27Å; E82-E86 WeakPolarHBondContact O-CB 3.4Å; E82-E86 PolarHBondContact O-N 3Å; E82-V125 HydrophobicContact CB-CG1 4.37Å; E82-V125 HydrophobicContact CG-CG1 3.99Å
83	E	76.1	Confident	68.1	Low	44 Å²	44	72.9 Å²	72.9	21%	0.206	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-38.3	179.4	-68.9	179.5	144.7	0	0	111.2	K74 L79 T80 E86 R87	K74-E83 IonicContact NZ-OE1 2.66Å; K74-E83 PolarHBondContact NZ-OE1 3.5Å; K74-E83 IonicContact NZ-OE2 4Å; L79-E83 HydrophobicContact CB-CB 4.11Å; L79-E83 HydrophobicContact CD2-CB 3.92Å; T80-E83 PolarHBondContact N-OE2 3.14Å; T80-E83 PolarHBondContact O-N 3.19Å; T80-E83 PolarHBondContact OG1-N 3.34Å; E83-E86 PolarHBondContact O-N 2.85Å; E83-R87 WeakPolarHBondContact O-CB 3.47Å; E83-R87 WeakPolarHBondContact O-CG 3.47Å; E83-R87 PolarHBondContact O-N 3.11Å
84	Y	78.7	Confident	69.4	Low	11 Å²	11	61.5 Å²	61.5	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-50.1	176.2	176.2	-87.9	0	0	0	110.8	T80 E82 E86 R87 L88 M116 E117 R119 V121	T80-Y84 VanDerWaalsContact O-CB 3.25Å; T80-Y84 WeakPolarHBondContact O-CB 3.1Å; T80-Y84 PolarHBondContact O-N 2.83Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 3.04Å; Y84-E86 VanDerWaalsContact C-N 3.35Å; Y84-E86 PolarHBondContact O-N 2.86Å; Y84-R87 PolarHBondContact O-N 3.21Å; Y84-L88 HydrophobicContact CD1-CD1 3.63Å; Y84-L88 HydrophobicContact CE1-CD1 3.08Å; Y84-L88 HydrophobicContact CE1-CG 4.32Å; Y84-L88 HydrophobicContact CE2-CD1 4.33Å; Y84-L88 HydrophobicContact CG-CD1 4.42Å; Y84-L88 VanDerWaalsContact CZ-CD1 3.46Å; Y84-L88 PolarHBondContact O-N 2.81Å; Y84-L88 VanDerWaalsContact O-N 3.16Å; Y84-M116 HydrophobicContact CD2-CE 3.17Å; Y84-M116 HydrophobicContact CE2-CB 4.19Å; Y84-M116 HydrophobicContact CE2-CE 3.43Å; Y84-M116 VanDerWaalsContact CE2-CE 3.43Å; Y84-M116 HydrophobicContact CG-CE 3.96Å; Y84-E117 WeakPolarHBondContact CE2-O 3.26Å; Y84-E117 PolarHBondContact OH-O 3.44Å; Y84-R119 HydrophobicContact CD1-CB 4.41Å; Y84-R119 HydrophobicContact CD2-CB 4.46Å; Y84-R119 HydrophobicContact CE1-CB 3.82Å; Y84-R119 HydrophobicContact CE2-CB 3.91Å; Y84-R119 PolarHBondContact OH-N 2.98Å; Y84-V121 HydrophobicContact CD1-CG2 3.71Å; Y84-V121 HydrophobicContact CE1-CG2 3.8Å
85	A	71.2	Confident	70.7	Confident	6 Å²	6	56.2 Å²	56.2	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-45.3	176.5	0	0	0	0	0	111.2	D81 E82 R87 L88 L89 V121 V125 L129	D81-A85 VanDerWaalsContact O-CB 3.25Å; D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 2.8Å; E82-A85 PolarHBondContact O-N 2.95Å; A85-R87 VanDerWaalsContact C-N 3.32Å; A85-R87 PolarHBondContact O-N 2.76Å; A85-L88 PolarHBondContact O-N 3.08Å; A85-L89 WeakPolarHBondContact O-CG 3.37Å; A85-L89 PolarHBondContact O-N 3.11Å; A85-V121 HydrophobicContact CB-CG1 3.78Å; A85-V121 HydrophobicContact CB-CG2 4.2Å; A85-V125 HydrophobicContact CB-CG1 4.31Å; A85-L129 HydrophobicContact CB-CD1 4.02Å
86	E	67.7	Low	71.2	Confident	64 Å²	64	55.2 Å²	55.2	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.7	-169.9	-176.3	-175.9	0	0	112.3	F71 E82 E83 Y84 L89 Y90 L129	F71-E86 VanDerWaalsContact CE1-OE1 3.28Å; F71-E86 WeakPolarHBondContact CE1-OE1 3.42Å; F71-E86 WeakPolarHBondContact CZ-OE1 3.25Å; E82-E86 VanDerWaalsContact O-CB 3.27Å; E82-E86 WeakPolarHBondContact O-CB 3.4Å; E82-E86 PolarHBondContact O-N 3Å; E83-E86 PolarHBondContact O-N 2.85Å; Y84-E86 VanDerWaalsContact C-N 3.35Å; Y84-E86 PolarHBondContact O-N 2.86Å; E86-L89 VanDerWaalsContact O-CB 3.27Å; E86-L89 WeakPolarHBondContact O-CB 3.38Å; E86-L89 PolarHBondContact O-N 2.93Å; E86-Y90 HydrophobicContact CG-CE2 4.42Å; E86-Y90 WeakPolarHBondContact O-CD2 3.21Å; E86-Y90 VanDerWaalsContact O-CE2 3.28Å; E86-Y90 WeakPolarHBondContact O-CE2 3.5Å; E86-L129 HydrophobicContact CB-CD1 3.76Å; E86-L129 HydrophobicContact CG-CD1 4.45Å
87	R	71.1	Confident	71.9	Confident	22 Å²	22	58.1 Å²	58.1	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-39	179	-69.7	-72.5	174	148.7	4.1	112.2	A72 L79 E83 Y84 A85 L89 Y90 Y93 M116	A72-R87 PolarHBondContact O-NH2 3.42Å; L79-R87 HydrophobicContact CD1-CG 4.3Å; E83-R87 WeakPolarHBondContact O-CB 3.47Å; E83-R87 WeakPolarHBondContact O-CG 3.47Å; E83-R87 PolarHBondContact O-N 3.11Å; Y84-R87 PolarHBondContact O-N 3.21Å; A85-R87 VanDerWaalsContact C-N 3.32Å; A85-R87 PolarHBondContact O-N 2.76Å; R87-L89 PolarHBondContact O-N 2.94Å; R87-Y90 WeakPolarHBondContact O-CB 3.11Å; R87-Y90 PolarHBondContact O-N 3.45Å; R87-Y93 HydrophobicContact CB-CD1 4.32Å; R87-Y93 HydrophobicContact CB-CD2 4.36Å; R87-Y93 HydrophobicContact CB-CG 4.18Å; R87-Y93 PolarHBondContact NH1-OH 2.66Å; R87-Y93 WeakPolarHBondContact O-CB 3.22Å; R87-Y93 VanDerWaalsContact O-CD2 3.23Å; R87-Y93 WeakPolarHBondContact O-CD2 3.11Å; R87-M116 HydrophobicContact CB-CE 4.28Å; R87-M116 HydrophobicContact CB-SD 4.11Å
88	L	69.3	Low	71.8	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-19.3	178	-74.7	164.8	0	0	0	113.7	Y84 A85 Y90 T95 Q177	Y84-L88 HydrophobicContact CD1-CD1 3.63Å; Y84-L88 HydrophobicContact CE1-CD1 3.08Å; Y84-L88 HydrophobicContact CE1-CG 4.32Å; Y84-L88 HydrophobicContact CE2-CD1 4.33Å; Y84-L88 HydrophobicContact CG-CD1 4.42Å; Y84-L88 VanDerWaalsContact CZ-CD1 3.46Å; Y84-L88 PolarHBondContact O-N 2.81Å; Y84-L88 VanDerWaalsContact O-N 3.16Å; A85-L88 PolarHBondContact O-N 3.08Å; L88-Y90 PolarHBondContact O-N 3.34Å; L88-T95 HydrophobicContact CD1-CG2 4.45Å; L88-T95 HydrophobicContact CD2-CG2 3.81Å; L88-Q177 VanDerWaalsContact CD1-OE1 3.24Å; L88-Q177 HydrophobicContact CD2-CG 4.34Å
89	L	60.3	Low	71.7	Confident	33 Å²	33	48.7 Å²	48.7	17%	0.173	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.7	170.6	-59.7	175.1	0	0	0	112.6	A85 E86 R87 L129 L133 Y158	A85-L89 WeakPolarHBondContact O-CG 3.37Å; A85-L89 PolarHBondContact O-N 3.11Å; E86-L89 VanDerWaalsContact O-CB 3.27Å; E86-L89 WeakPolarHBondContact O-CB 3.38Å; E86-L89 PolarHBondContact O-N 2.93Å; R87-L89 PolarHBondContact O-N 2.94Å; L89-L129 HydrophobicContact CD1-CD1 4.3Å; L89-L129 HydrophobicContact CD1-CD2 3.61Å; L89-L129 HydrophobicContact CD1-CG 4.47Å; L89-L133 HydrophobicContact CD1-CD1 4.2Å; L89-Y158 HydrophobicContact CB-CD1 3.7Å; L89-Y158 HydrophobicContact CB-CE1 3.45Å; L89-Y158 VanDerWaalsContact CB-CE1 3.45Å; L89-Y158 HydrophobicContact CB-CG 4.37Å; L89-Y158 HydrophobicContact CD1-CE2 4.27Å; L89-Y158 HydrophobicContact CD2-CD1 3.89Å; L89-Y158 HydrophobicContact CD2-CD2 4.18Å; L89-Y158 HydrophobicContact CD2-CE1 4.4Å; L89-Y158 HydrophobicContact CD2-CG 3.78Å; L89-Y158 HydrophobicContact CG-CD1 4.3Å; L89-Y158 HydrophobicContact CG-CE1 4.33Å; L89-Y158 WeakPolarHBondContact O-CD1 3.39Å; L89-Y158 WeakPolarHBondContact O-CE1 3.44Å
90	Y	58.7	Low	71.7	Confident	50 Å²	50	53.1 Å²	53.1	20%	0.196	25%	0.25	C	S	.	.	S	Bend	trans	-91.7	130.7	-178.7	-64.5	-88	0	0	0	110.9	P69 F71 E86 R87 L88 R92 Y93	P69-Y90 HydrophobicContact CB-CE1 4.49Å; F71-Y90 HydrophobicContact CD2-CE2 4.36Å; F71-Y90 HydrophobicContact CE2-CE1 4.46Å; F71-Y90 HydrophobicContact CE2-CE2 4.13Å; F71-Y90 AromaticContact CE2-CZ 3.65Å; F71-Y90 WeakPolarHBondContact CE2-OH 3.46Å; E86-Y90 HydrophobicContact CG-CE2 4.42Å; E86-Y90 WeakPolarHBondContact O-CD2 3.21Å; E86-Y90 VanDerWaalsContact O-CE2 3.28Å; E86-Y90 WeakPolarHBondContact O-CE2 3.5Å; R87-Y90 WeakPolarHBondContact O-CB 3.11Å; R87-Y90 PolarHBondContact O-N 3.45Å; L88-Y90 PolarHBondContact O-N 3.34Å; Y90-R92 PolarHBondContact O-N 3.38Å; Y90-Y93 PolarHBondContact O-N 3.23Å
91	P	57.8	Low	71.4	Confident	104 Å²	104	53.3 Å²	53.3	68%	0.675	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-15.1	-175.7	-26	32.4	0	0	0	116.1
92	R	63.3	Low	70.9	Confident	118 Å²	118	52.3 Å²	52.3	45%	0.445	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.6	179.1	-174.3	177.2	173.2	168	8.2	112.6	Y90 S112 T113 V114	Y90-R92 PolarHBondContact O-N 3.38Å; R92-S112 VanDerWaalsContact CG-O 3.31Å; R92-S112 WeakPolarHBondContact CG-O 3.33Å; R92-S112 VanDerWaalsContact CZ-O 3.31Å; R92-S112 PolarHBondContact NE-O 3.27Å; R92-S112 PolarHBondContact NH2-O 2.96Å; R92-S112 VanDerWaalsContact NH2-O 3.16Å; R92-T113 CarbonylContact O-C 3.56Å; R92-T113 WeakPolarHBondContact O-CA 3.37Å; R92-V114 HydrophobicContact CG-CG2 4.43Å; R92-V114 PolarHBondContact O-N 3.3Å
93	Y	68.3	Low	70.9	Confident	35 Å²	35	53.6 Å²	53.6	14%	0.137	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.2	-177.2	-57.4	-94.4	0	0	0	109.4	L76 R87 Y90 V114 M116	L76-Y93 HydrophobicContact CD2-CE1 4.17Å; R87-Y93 HydrophobicContact CB-CD1 4.32Å; R87-Y93 HydrophobicContact CB-CD2 4.36Å; R87-Y93 HydrophobicContact CB-CG 4.18Å; R87-Y93 PolarHBondContact NH1-OH 2.66Å; R87-Y93 WeakPolarHBondContact O-CB 3.22Å; R87-Y93 VanDerWaalsContact O-CD2 3.23Å; R87-Y93 WeakPolarHBondContact O-CD2 3.11Å; Y90-Y93 PolarHBondContact O-N 3.23Å; Y93-V114 WeakPolarHBondContact CA-O 3.29Å; Y93-V114 HydrophobicContact CD1-CB 3.76Å; Y93-V114 HydrophobicContact CD1-CG1 3.82Å; Y93-V114 HydrophobicContact CD1-CG2 4.42Å; Y93-V114 HydrophobicContact CE1-CB 4.06Å; Y93-V114 HydrophobicContact CE1-CG1 4.04Å; Y93-V114 HydrophobicContact CE1-CG2 4.26Å; Y93-M116 HydrophobicContact CD1-CG 4.43Å; Y93-M116 HydrophobicContact CD1-SD 3.67Å; Y93-M116 HydrophobicContact CG-SD 4.04Å
94	I	71.4	Confident	70.9	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158	177.9	63.6	174	0	0	0	109.6	E98 Y99 I102 M109 T113 V114 V115 M116	I94-E98 HydrophobicContact CB-CB 4.32Å; I94-Y99 HydrophobicContact CD1-CD2 4.06Å; I94-Y99 HydrophobicContact CD1-CG 4.41Å; I94-I102 HydrophobicContact CD1-CD1 4.07Å; I94-M109 HydrophobicContact CD1-CE 4.28Å; I94-T113 HydrophobicContact CD1-CG2 3.55Å; I94-T113 HydrophobicContact CG1-CG2 3.6Å; I94-T113 HydrophobicContact CG2-CG2 4.26Å; I94-V114 PolarHBondContact N-O 3.18Å; I94-V115 HydrophobicContact CD1-CG2 4.29Å; I94-V115 HydrophobicContact CG1-CG2 4.19Å; I94-V115 CarbonylContact O-C 3.56Å; I94-V115 WeakPolarHBondContact O-CA 3.38Å; I94-M116 PolarHBondContact O-N 3.38Å
95	T	79.3	Confident	70.7	Confident	10 Å²	10	62.7 Å²	62.7	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	158.8	172.1	61.1	0	0	0	0	111.6	L88 K97 E98 Y99 M116 N118	L88-T95 HydrophobicContact CD1-CG2 4.45Å; L88-T95 HydrophobicContact CD2-CG2 3.81Å; T95-K97 PolarHBondContact O-N 3.45Å; T95-E98 WeakPolarHBondContact CB-OE2 3.41Å; T95-E98 PolarHBondContact N-OE2 3.15Å; T95-E98 PolarHBondContact O-N 3.21Å; T95-E98 WeakPolarHBondContact OG1-CG 3.49Å; T95-E98 PolarHBondContact OG1-N 3.19Å; T95-E98 PolarHBondContact OG1-OE2 2.79Å; T95-Y99 PolarHBondContact O-N 3.33Å; T95-M116 CarbonylContact C-O 3.47Å; T95-M116 WeakPolarHBondContact CA-O 3.28Å; T95-N118 VanDerWaalsContact CB-OD1 3.31Å; T95-N118 WeakPolarHBondContact CB-OD1 3.17Å
96	K	78.4	Confident	70.8	Confident	82 Å²	82	70.9 Å²	70.9	36%	0.357	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-37.9	176.8	-174.6	177.4	178.7	-179.2	0	112.1	Y99 E100 V115 M116 N118	K96-Y99 WeakPolarHBondContact O-CB 3.22Å; K96-Y99 PolarHBondContact O-N 2.88Å; K96-E100 WeakPolarHBondContact CE-OE1 3.26Å; K96-E100 WeakPolarHBondContact O-CG 3.26Å; K96-E100 PolarHBondContact O-N 2.97Å; K96-V115 HydrophobicContact CB-CG1 4.16Å; K96-M116 PolarHBondContact N-O 3.26Å; K96-N118 PolarHBondContact N-OD1 3.18Å
97	K	77.6	Confident	70.8	Confident	126 Å²	126	70.7 Å²	70.7	55%	0.548	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-47	175.4	-174.6	179.6	176.2	-173	0	111.6	T95 Y99 E100 D101 N118	T95-K97 PolarHBondContact O-N 3.45Å; K97-Y99 VanDerWaalsContact C-N 3.3Å; K97-Y99 PolarHBondContact O-N 3.34Å; K97-E100 PolarHBondContact O-N 3.29Å; K97-D101 PolarHBondContact O-N 3.26Å; K97-N118 WeakPolarHBondContact CB-OD1 2.97Å; K97-N118 PolarHBondContact N-OD1 3.2Å
98	E	69.5	Low	70.1	Confident	41 Å²	41	77 Å²	77	19%	0.192	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-37.9	176.5	-71.4	165.8	127.2	0	0	112.1	I94 T95 E100 D101 I102 Q177	I94-E98 HydrophobicContact CB-CB 4.32Å; T95-E98 WeakPolarHBondContact CB-OE2 3.41Å; T95-E98 PolarHBondContact N-OE2 3.15Å; T95-E98 PolarHBondContact O-N 3.21Å; T95-E98 WeakPolarHBondContact OG1-CG 3.49Å; T95-E98 PolarHBondContact OG1-N 3.19Å; T95-E98 PolarHBondContact OG1-OE2 2.79Å; E98-E100 VanDerWaalsContact C-N 3.35Å; E98-D101 PolarHBondContact O-N 2.82Å; E98-I102 WeakPolarHBondContact O-CB 3.41Å; E98-I102 WeakPolarHBondContact O-CD1 3.37Å; E98-I102 WeakPolarHBondContact O-CG1 3.42Å; E98-I102 PolarHBondContact O-N 3.47Å; E98-Q177 WeakPolarHBondContact OE1-CG 3.27Å
99	Y	74.2	Confident	69.4	Low	80 Å²	80	80 Å²	80	31%	0.314	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-43.7	175.3	178.1	-104.1	0	0	0	111.9	I94 T95 K96 K97 I102 L103 M109 V115	I94-Y99 HydrophobicContact CD1-CD2 4.06Å; I94-Y99 HydrophobicContact CD1-CG 4.41Å; T95-Y99 PolarHBondContact O-N 3.33Å; K96-Y99 WeakPolarHBondContact O-CB 3.22Å; K96-Y99 PolarHBondContact O-N 2.88Å; K97-Y99 VanDerWaalsContact C-N 3.3Å; K97-Y99 PolarHBondContact O-N 3.34Å; Y99-I102 PolarHBondContact O-N 2.91Å; Y99-L103 HydrophobicContact CD1-CD1 3.99Å; Y99-L103 HydrophobicContact CE1-CD1 3.38Å; Y99-L103 HydrophobicContact CE1-CG 4.15Å; Y99-L103 HydrophobicContact CE2-CD1 4.39Å; Y99-L103 HydrophobicContact CE2-CG 4.37Å; Y99-L103 WeakPolarHBondContact O-CG 3.43Å; Y99-L103 PolarHBondContact O-N 3.21Å; Y99-M109 HydrophobicContact CD2-CE 3.7Å; Y99-M109 HydrophobicContact CD2-SD 3.46Å; Y99-M109 WeakPolarHBondContact CD2-SD 3.38Å; Y99-M109 HydrophobicContact CE2-CE 3.65Å; Y99-M109 HydrophobicContact CE2-SD 3.42Å; Y99-M109 WeakPolarHBondContact CE2-SD 3.38Å; Y99-V115 HydrophobicContact CD1-CG2 4.43Å; Y99-V115 HydrophobicContact CD2-CG2 3.63Å; Y99-V115 HydrophobicContact CE2-CG2 4.17Å; Y99-V115 HydrophobicContact CG-CG1 4.27Å; Y99-V115 HydrophobicContact CG-CG2 3.77Å
100	E	78.4	Confident	69	Low	99 Å²	99	82 Å²	82	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-43.1	175.6	-71.4	168.7	-176.1	0	0	111.4	K96 K97 E98 L103 Q104	K96-E100 WeakPolarHBondContact CE-OE1 3.26Å; K96-E100 WeakPolarHBondContact O-CG 3.26Å; K96-E100 PolarHBondContact O-N 2.97Å; K97-E100 PolarHBondContact O-N 3.29Å; E98-E100 VanDerWaalsContact C-N 3.35Å; E100-L103 PolarHBondContact O-N 2.81Å; E100-Q104 WeakPolarHBondContact O-CB 3.41Å; E100-Q104 PolarHBondContact O-N 2.66Å
101	D	75	Confident	68.8	Low	70 Å²	70	87.9 Å²	87.9	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-41.2	176.3	-70.2	-19.7	0	0	0	111.9	K97 E98 Q104 N105	K97-D101 PolarHBondContact O-N 3.26Å; E98-D101 PolarHBondContact O-N 2.82Å; D101-Q104 PolarHBondContact O-N 2.92Å; D101-N105 WeakPolarHBondContact O-CB 3.39Å; D101-N105 PolarHBondContact O-N 3.34Å; D101-N105 PolarHBondContact O-ND2 3.25Å
102	I	69.3	Low	69.1	Low	16 Å²	16	85.4 Å²	85.4	8%	0.082	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-45	176.4	-77	166.4	0	0	0	111	I94 E98 Y99 Q104 N105 E106 E107 M109	I94-I102 HydrophobicContact CD1-CD1 4.07Å; E98-I102 WeakPolarHBondContact O-CB 3.41Å; E98-I102 WeakPolarHBondContact O-CD1 3.37Å; E98-I102 WeakPolarHBondContact O-CG1 3.42Å; E98-I102 PolarHBondContact O-N 3.47Å; Y99-I102 PolarHBondContact O-N 2.91Å; I102-Q104 VanDerWaalsContact C-N 3.31Å; I102-Q104 PolarHBondContact O-N 3.18Å; I102-N105 PolarHBondContact O-N 2.78Å; I102-E106 PolarHBondContact O-N 3.33Å; I102-E107 HydrophobicContact CB-CB 4.47Å; I102-E107 HydrophobicContact CG1-CB 4.47Å; I102-E107 HydrophobicContact CG2-CB 4.01Å; I102-E107 PolarHBondContact O-N 2.97Å; I102-E107 VanDerWaalsContact O-N 3.12Å; I102-M109 HydrophobicContact CG2-CG 3.71Å; I102-M109 HydrophobicContact CG2-SD 3.74Å
103	L	74	Confident	69.3	Low	101 Å²	101	80.9 Å²	80.9	53%	0.529	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-39.3	176.9	-75.8	-178.2	0	0	0	111.7	Y99 E100 N105	Y99-L103 HydrophobicContact CD1-CD1 3.99Å; Y99-L103 HydrophobicContact CE1-CD1 3.38Å; Y99-L103 HydrophobicContact CE1-CG 4.15Å; Y99-L103 HydrophobicContact CE2-CD1 4.39Å; Y99-L103 HydrophobicContact CE2-CG 4.37Å; Y99-L103 WeakPolarHBondContact O-CG 3.43Å; Y99-L103 PolarHBondContact O-N 3.21Å; E100-L103 PolarHBondContact O-N 2.81Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.06Å
104	Q	76.3	Confident	69.4	Low	155 Å²	155	80.7 Å²	80.7	72%	0.724	41%	0.405	S	S	*	.	H	α-helix	trans	-68.2	-31.5	179.5	-171.9	172.7	1.8	0	0	112.6	E100 D101 I102	E100-Q104 WeakPolarHBondContact O-CB 3.41Å; E100-Q104 PolarHBondContact O-N 2.66Å; D101-Q104 PolarHBondContact O-N 2.92Å; I102-Q104 VanDerWaalsContact C-N 3.31Å; I102-Q104 PolarHBondContact O-N 3.18Å
105	N	73.5	Confident	69.7	Low	92 Å²	92	83.2 Å²	83.2	49%	0.492	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	7.4	-175.9	-65.7	-55.5	0	0	0	114.3	D101 I102 L103 E107	D101-N105 WeakPolarHBondContact O-CB 3.39Å; D101-N105 PolarHBondContact O-N 3.34Å; D101-N105 PolarHBondContact O-ND2 3.25Å; I102-N105 PolarHBondContact O-N 2.78Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.06Å; N105-E107 HydrophobicContact CB-CG 4.14Å; N105-E107 PolarHBondContact O-N 2.93Å
106	E	73.4	Confident	69.7	Low	178 Å²	178	83 Å²	83	83%	0.832	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.4	-178	-57.8	-176.6	167.1	0	0	113.4	I102	I102-E106 PolarHBondContact O-N 3.33Å
107	E	68	Low	69.8	Low	59 Å²	59	85.1 Å²	85.1	28%	0.276	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-81.4	145.2	178.6	-68.6	-176.8	-177.9	0	0	111.6	I102 N105 M109	I102-E107 HydrophobicContact CB-CB 4.47Å; I102-E107 HydrophobicContact CG1-CB 4.47Å; I102-E107 HydrophobicContact CG2-CB 4.01Å; I102-E107 PolarHBondContact O-N 2.97Å; I102-E107 VanDerWaalsContact O-N 3.12Å; N105-E107 HydrophobicContact CB-CG 4.14Å; N105-E107 PolarHBondContact O-N 2.93Å; E107-M109 PolarHBondContact O-N 2.91Å
108	L	55.8	Low	69.7	Low	155 Å²	155	83.1 Å²	83.1	81%	0.812	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-68.9	129.2	-174.3	-74.6	169.1	0	0	0	112.2	R174	L108-R174 PolarHBondContact O-NE 3.31Å; L108-R174 PolarHBondContact O-NH2 3.03Å
109	M	54.8	Low	70	Confident	68 Å²	68	86.4 Å²	86.4	34%	0.335	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-49	131.8	156.3	-1.4	-176	7.3	0	0	117.2	I94 Y99 I102 E107 T113	I94-M109 HydrophobicContact CD1-CE 4.28Å; Y99-M109 HydrophobicContact CD2-CE 3.7Å; Y99-M109 HydrophobicContact CD2-SD 3.46Å; Y99-M109 WeakPolarHBondContact CD2-SD 3.38Å; Y99-M109 HydrophobicContact CE2-CE 3.65Å; Y99-M109 HydrophobicContact CE2-SD 3.42Å; Y99-M109 WeakPolarHBondContact CE2-SD 3.38Å; I102-M109 HydrophobicContact CG2-CG 3.71Å; I102-M109 HydrophobicContact CG2-SD 3.74Å; E107-M109 PolarHBondContact O-N 2.91Å; M109-T113 HydrophobicContact CE-CG2 3.55Å
110	V	52.9	Low	69.9	Low	75 Å²	75	91.3 Å²	91.3	46%	0.455	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-87.9	127.2	147.7	178.2	0	0	0	0	106	S112 T113 R174	V110-S112 PolarHBondContact O-N 3.37Å; V110-T113 WeakPolarHBondContact O-CB 3.48Å; V110-T113 PolarHBondContact O-N 3.03Å; V110-T113 PolarHBondContact O-OG1 2.88Å; V110-T113 VanDerWaalsContact O-OG1 3.07Å; V110-R174 VanDerWaalsContact N-NH1 3.18Å
111	D	54	Low	69.4	Low	175 Å²	175	88.3 Å²	88.3	94%	0.936	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.9	-175	-69.2	-16.4	0	0	0	114.4
112	S	63	Low	69.2	Low	51 Å²	51	88 Å²	88	36%	0.357	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.2	-178.7	74.7	0	0	0	0	114.6	R92 V110	R92-S112 VanDerWaalsContact CG-O 3.31Å; R92-S112 WeakPolarHBondContact CG-O 3.33Å; R92-S112 VanDerWaalsContact CZ-O 3.31Å; R92-S112 PolarHBondContact NE-O 3.27Å; R92-S112 PolarHBondContact NH2-O 2.96Å; R92-S112 VanDerWaalsContact NH2-O 3.16Å; V110-S112 PolarHBondContact O-N 3.37Å
113	T	68.3	Low	68.9	Low	24 Å²	24	90.9 Å²	90.9	15%	0.147	47%	0.473	C	S	.	.			trans	-58.4	136.6	-175.9	-67.5	0	0	0	0	112.4	R92 I94 M109 V110 R174	R92-T113 CarbonylContact O-C 3.56Å; R92-T113 WeakPolarHBondContact O-CA 3.37Å; I94-T113 HydrophobicContact CD1-CG2 3.55Å; I94-T113 HydrophobicContact CG1-CG2 3.6Å; I94-T113 HydrophobicContact CG2-CG2 4.26Å; M109-T113 HydrophobicContact CE-CG2 3.55Å; V110-T113 WeakPolarHBondContact O-CB 3.48Å; V110-T113 PolarHBondContact O-N 3.03Å; V110-T113 PolarHBondContact O-OG1 2.88Å; V110-T113 VanDerWaalsContact O-OG1 3.07Å; T113-R174 PolarHBondContact OG1-NH1 3.22Å
114	V	70.3	Confident	68.6	Low	31 Å²	31	88 Å²	88	19%	0.188	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.8	-179.7	177.6	0	0	0	0	108.2	L76 R92 Y93 I94	L76-V114 HydrophobicContact CD1-CG1 3.28Å; R92-V114 HydrophobicContact CG-CG2 4.43Å; R92-V114 PolarHBondContact O-N 3.3Å; Y93-V114 WeakPolarHBondContact CA-O 3.29Å; Y93-V114 HydrophobicContact CD1-CB 3.76Å; Y93-V114 HydrophobicContact CD1-CG1 3.82Å; Y93-V114 HydrophobicContact CD1-CG2 4.42Å; Y93-V114 HydrophobicContact CE1-CB 4.06Å; Y93-V114 HydrophobicContact CE1-CG1 4.04Å; Y93-V114 HydrophobicContact CE1-CG2 4.26Å; I94-V114 PolarHBondContact N-O 3.18Å
115	V	77.7	Confident	68.2	Low	59 Å²	59	81.2 Å²	81.2	36%	0.358	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.1	179	-173.3	0	0	0	0	109.6	I94 K96 Y99	I94-V115 HydrophobicContact CD1-CG2 4.29Å; I94-V115 HydrophobicContact CG1-CG2 4.19Å; I94-V115 CarbonylContact O-C 3.56Å; I94-V115 WeakPolarHBondContact O-CA 3.38Å; K96-V115 HydrophobicContact CB-CG1 4.16Å; Y99-V115 HydrophobicContact CD1-CG2 4.43Å; Y99-V115 HydrophobicContact CD2-CG2 3.63Å; Y99-V115 HydrophobicContact CE2-CG2 4.17Å; Y99-V115 HydrophobicContact CG-CG1 4.27Å; Y99-V115 HydrophobicContact CG-CG2 3.77Å
116	M	78.9	Confident	67.5	Low	7 Å²	7	79.8 Å²	79.8	3%	0.034	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.2	179.1	-63.4	-180	52.6	0	0	109.8	L79 Y84 R87 Y93 I94 T95 K96	L79-M116 HydrophobicContact CD1-CE 3.62Å; Y84-M116 HydrophobicContact CD2-CE 3.17Å; Y84-M116 HydrophobicContact CE2-CB 4.19Å; Y84-M116 HydrophobicContact CE2-CE 3.43Å; Y84-M116 VanDerWaalsContact CE2-CE 3.43Å; Y84-M116 HydrophobicContact CG-CE 3.96Å; R87-M116 HydrophobicContact CB-CE 4.28Å; R87-M116 HydrophobicContact CB-SD 4.11Å; Y93-M116 HydrophobicContact CD1-CG 4.43Å; Y93-M116 HydrophobicContact CD1-SD 3.67Å; Y93-M116 HydrophobicContact CG-SD 4.04Å; I94-M116 PolarHBondContact O-N 3.38Å; T95-M116 CarbonylContact C-O 3.47Å; T95-M116 WeakPolarHBondContact CA-O 3.28Å; K96-M116 PolarHBondContact N-O 3.26Å
117	E	80.3	Confident	67	Low	125 Å²	125	71.7 Å²	71.7	58%	0.584	39%	0.393	S	S	*	.			trans	-64	144.5	175.1	-73.4	-66.3	166.4	0	0	110.7	Y84 R119	Y84-E117 WeakPolarHBondContact CE2-O 3.26Å; Y84-E117 PolarHBondContact OH-O 3.44Å; E117-R119 PolarHBondContact O-N 3.43Å
118	N	77.2	Confident	67	Low	85 Å²	85	75.2 Å²	75.2	46%	0.455	41%	0.407	S	S	.	.			trans	-63.8	120.1	178.3	-60.6	-35.1	0	0	0	109.7	T95 K96 K97	T95-N118 VanDerWaalsContact CB-OD1 3.31Å; T95-N118 WeakPolarHBondContact CB-OD1 3.17Å; K96-N118 PolarHBondContact N-OD1 3.18Å; K97-N118 WeakPolarHBondContact CB-OD1 2.97Å; K97-N118 PolarHBondContact N-OD1 3.2Å
119	R	75.1	Confident	67.4	Low	109 Å²	109	68.5 Å²	68.5	41%	0.411	37%	0.372	S	S	.	.			trans	-135.1	136.8	175.6	-173.8	176.7	177.9	171.5	-0.1	110	L79 D81 Y84 E117	L79-R119 PolarHBondContact O-NH1 2.95Å; D81-R119 IonicContact OD1-CZ 3.26Å; D81-R119 IonicContact OD1-NE 3.71Å; D81-R119 PolarHBondContact OD1-NE 3.16Å; D81-R119 IonicContact OD1-NH1 3.88Å; D81-R119 IonicContact OD1-NH2 3.92Å; D81-R119 PolarHBondContact OD1-NH2 2.78Å; D81-R119 IonicContact OD2-NH2 3.81Å; D81-R119 PolarHBondContact OD2-NH2 3.14Å; D81-R119 VanDerWaalsContact OD2-NH2 3.14Å; Y84-R119 HydrophobicContact CD1-CB 4.41Å; Y84-R119 HydrophobicContact CD2-CB 4.46Å; Y84-R119 HydrophobicContact CE1-CB 3.82Å; Y84-R119 HydrophobicContact CE2-CB 3.91Å; Y84-R119 PolarHBondContact OH-N 2.98Å; E117-R119 PolarHBondContact O-N 3.43Å
120	E	70.9	Confident	67.6	Low	184 Å²	184	65.8 Å²	65.8	86%	0.86	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-74.3	127.8	170.8	-70.8	-173.7	168.8	0	0	109.7
121	V	68.1	Low	68.2	Low	36 Å²	36	66.7 Å²	66.7	22%	0.218	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-92.4	119.5	175	-176.2	0	0	0	0	108.4	Y84 A85 S123 V125 L126	Y84-V121 HydrophobicContact CD1-CG2 3.71Å; Y84-V121 HydrophobicContact CE1-CG2 3.8Å; A85-V121 HydrophobicContact CB-CG1 3.78Å; A85-V121 HydrophobicContact CB-CG2 4.2Å; V121-S123 PolarHBondContact O-N 3.21Å; V121-V125 HydrophobicContact CG1-CB 3.95Å; V121-V125 HydrophobicContact CG1-CG1 3.78Å; V121-L126 HydrophobicContact CB-CG 4.42Å; V121-L126 HydrophobicContact CG1-CD1 4.46Å; V121-L126 HydrophobicContact CG1-CD2 4.08Å; V121-L126 HydrophobicContact CG1-CG 3.8Å
122	P	71.8	Confident	68.4	Low	64 Å²	64	62.9 Å²	62.9	42%	0.416	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-58.1	138.8	177.2	-23.2	32.9	0	0	0	111.4	G124 V125 L126	P122-G124 PolarHBondContact O-N 2.94Å; P122-G124 VanDerWaalsContact O-N 3.12Å; P122-V125 HydrophobicContact CB-CG2 4.11Å; P122-V125 HydrophobicContact CG-CG2 4.17Å; P122-V125 WeakPolarHBondContact O-CA 3.42Å; P122-V125 VanDerWaalsContact O-CB 3.31Å; P122-V125 WeakPolarHBondContact O-CB 3.41Å; P122-V125 PolarHBondContact O-N 3.26Å; P122-L126 PolarHBondContact O-N 3.38Å
123	S	62.3	Low	68.1	Low	75 Å²	75	64.1 Å²	64.1	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-55.1	-35	-179.5	57	0	0	0	0	113.2	V121 V125 L126 S127	V121-S123 PolarHBondContact O-N 3.21Å; S123-V125 VanDerWaalsContact C-N 3.28Å; S123-V125 PolarHBondContact O-N 3.29Å; S123-L126 PolarHBondContact O-N 2.92Å; S123-S127 PolarHBondContact O-N 2.92Å; S123-S127 PolarHBondContact O-OG 2.98Å
124	G	68.1	Low	67.5	Low	41 Å²	41	65.5 Å²	65.5	42%	0.423	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-29	175.1	0	0	0	0	0	114.2	P122 K128	P122-G124 PolarHBondContact O-N 2.94Å; P122-G124 VanDerWaalsContact O-N 3.12Å; G124-K128 WeakPolarHBondContact O-CG 3.32Å; G124-K128 PolarHBondContact O-N 2.8Å
125	V	67.6	Low	66.5	Low	12 Å²	12	65.5 Å²	65.5	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-72.7	-45.3	174.6	171.7	0	0	0	0	110	D81 E82 A85 V121 P122 S123 S127 K128 L129	D81-V125 HydrophobicContact CB-CB 4.45Å; D81-V125 HydrophobicContact CB-CG1 4.06Å; D81-V125 HydrophobicContact CB-CG2 3.83Å; E82-V125 HydrophobicContact CB-CG1 4.37Å; E82-V125 HydrophobicContact CG-CG1 3.99Å; A85-V125 HydrophobicContact CB-CG1 4.31Å; V121-V125 HydrophobicContact CG1-CB 3.95Å; V121-V125 HydrophobicContact CG1-CG1 3.78Å; P122-V125 HydrophobicContact CB-CG2 4.11Å; P122-V125 HydrophobicContact CG-CG2 4.17Å; P122-V125 WeakPolarHBondContact O-CA 3.42Å; P122-V125 VanDerWaalsContact O-CB 3.31Å; P122-V125 WeakPolarHBondContact O-CB 3.41Å; P122-V125 PolarHBondContact O-N 3.26Å; S123-V125 VanDerWaalsContact C-N 3.28Å; S123-V125 PolarHBondContact O-N 3.29Å; V125-S127 PolarHBondContact O-N 3.33Å; V125-K128 PolarHBondContact O-N 3.08Å; V125-L129 VanDerWaalsContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CB 3.42Å; V125-L129 PolarHBondContact O-N 3.44Å
126	L	59.9	Low	65.4	Low	62 Å²	62	70.4 Å²	70.4	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-45.6	174.5	-71.1	169.5	0	0	0	111.4	V121 P122 S123 K128 L129 L130 L140	V121-L126 HydrophobicContact CB-CG 4.42Å; V121-L126 HydrophobicContact CG1-CD1 4.46Å; V121-L126 HydrophobicContact CG1-CD2 4.08Å; V121-L126 HydrophobicContact CG1-CG 3.8Å; P122-L126 PolarHBondContact O-N 3.38Å; S123-L126 PolarHBondContact O-N 2.92Å; L126-K128 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 3.22Å; L126-L130 WeakPolarHBondContact O-CB 3.24Å; L126-L130 VanDerWaalsContact O-CG 3.26Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 3.16Å; L126-L140 HydrophobicContact CB-CD1 4.18Å
127	S	61.7	Low	64.2	Low	9 Å²	9	76.8 Å²	76.8	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-43.9	175.6	-65.3	0	0	0	0	112	S123 V125 K131 L140	S123-S127 PolarHBondContact O-N 2.92Å; S123-S127 PolarHBondContact O-OG 2.98Å; V125-S127 PolarHBondContact O-N 3.33Å; S127-K131 WeakPolarHBondContact O-CB 3.44Å; S127-K131 VanDerWaalsContact O-CG 3.25Å; S127-K131 WeakPolarHBondContact O-CG 3.17Å; S127-K131 PolarHBondContact O-N 2.83Å; S127-L140 PolarHBondContact OG-N 3.08Å
128	K	67.8	Low	62.6	Low	133 Å²	133	71 Å²	71	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-63.4	-42.6	175.5	-79.9	178.9	-174.9	176.2	0	112.2	G124 V125 L126 K131 S132	G124-K128 WeakPolarHBondContact O-CG 3.32Å; G124-K128 PolarHBondContact O-N 2.8Å; V125-K128 PolarHBondContact O-N 3.08Å; L126-K128 PolarHBondContact O-N 2.98Å; K128-K131 WeakPolarHBondContact O-CB 3.41Å; K128-K131 PolarHBondContact O-N 3.43Å; K128-S132 PolarHBondContact O-N 2.98Å
129	L	64.2	Low	61.4	Low	13 Å²	13	70.7 Å²	70.7	7%	0.068	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-42.5	-179.3	-175.8	139.9	0	0	0	110.7	A85 E86 L89 V125 L126 K131 S132 L133	A85-L129 HydrophobicContact CB-CD1 4.02Å; E86-L129 HydrophobicContact CB-CD1 3.76Å; E86-L129 HydrophobicContact CG-CD1 4.45Å; L89-L129 HydrophobicContact CD1-CD1 4.3Å; L89-L129 HydrophobicContact CD1-CD2 3.61Å; L89-L129 HydrophobicContact CD1-CG 4.47Å; V125-L129 VanDerWaalsContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CB 3.42Å; V125-L129 PolarHBondContact O-N 3.44Å; L126-L129 PolarHBondContact O-N 3.22Å; L129-K131 PolarHBondContact O-N 2.89Å; L129-S132 WeakPolarHBondContact O-CB 3.48Å; L129-S132 PolarHBondContact O-N 3.28Å; L129-S132 VanDerWaalsContact O-N 3.12Å; L129-S132 PolarHBondContact O-OG 3.31Å; L129-L133 HydrophobicContact CD2-CD1 3.75Å; L129-L133 HydrophobicContact CD2-CG 4.41Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.05Å
130	L	60.4	Low	60.1	Low	11 Å²	11	68.4 Å²	68.4	6%	0.058	38%	0.38	C	S	.	.	H	α-helix	trans	-62.1	-43.8	172.8	-68.2	168.5	0	0	0	111.1	L126 S132 L133 G134 F135 L138 L140 F159	L126-L130 WeakPolarHBondContact O-CB 3.24Å; L126-L130 VanDerWaalsContact O-CG 3.26Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 3.16Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.46Å; L130-L133 PolarHBondContact O-N 2.83Å; L130-L133 VanDerWaalsContact O-N 3.12Å; L130-G134 PolarHBondContact O-N 3.48Å; L130-F135 HydrophobicContact CB-CB 4.21Å; L130-F135 HydrophobicContact CB-CD2 4.04Å; L130-F135 HydrophobicContact CD2-CD2 3.9Å; L130-F135 HydrophobicContact CD2-CE2 4.21Å; L130-F135 WeakPolarHBondContact O-CB 3.2Å; L130-F135 WeakPolarHBondContact O-CD2 3.37Å; L130-F135 PolarHBondContact O-N 3.33Å; L130-L138 HydrophobicContact CD1-CD2 3.6Å; L130-L140 HydrophobicContact CD1-CD1 3.81Å; L130-L140 HydrophobicContact CD1-CG 4.39Å; L130-F159 HydrophobicContact CD1-CZ 4.31Å; L130-F159 HydrophobicContact CD2-CE2 3.83Å; L130-F159 HydrophobicContact CD2-CZ 3.83Å
131	K	64	Low	58.8	Low	94 Å²	94	63.2 Å²	63.2	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-39.1	172.3	-73.1	176.2	-177.6	-170.7	0	112.7	S127 K128 L129 L133 G134 F135 K136 L138	S127-K131 WeakPolarHBondContact O-CB 3.44Å; S127-K131 VanDerWaalsContact O-CG 3.25Å; S127-K131 WeakPolarHBondContact O-CG 3.17Å; S127-K131 PolarHBondContact O-N 2.83Å; K128-K131 WeakPolarHBondContact O-CB 3.41Å; K128-K131 PolarHBondContact O-N 3.43Å; L129-K131 PolarHBondContact O-N 2.89Å; K131-L133 VanDerWaalsContact C-N 3.35Å; K131-G134 PolarHBondContact O-N 2.76Å; K131-G134 VanDerWaalsContact O-N 3.16Å; K131-F135 WeakPolarHBondContact CA-O 3.26Å; K131-F135 VanDerWaalsContact CG-O 3.3Å; K131-F135 WeakPolarHBondContact CG-O 3.48Å; K131-K136 VanDerWaalsContact CE-O 3.29Å; K131-K136 WeakPolarHBondContact CE-O 3.45Å; K131-L138 WeakPolarHBondContact CE-O 3.29Å
132	S	59.7	Low	57.6	Low	95 Å²	95	71.7 Å²	71.7	66%	0.664	39%	0.392	S	S	*	.	H	α-helix	trans	-69.7	-30.6	177.9	78.9	0	0	0	0	113.4	K128 L129 L130 G134	K128-S132 PolarHBondContact O-N 2.98Å; L129-S132 WeakPolarHBondContact O-CB 3.48Å; L129-S132 PolarHBondContact O-N 3.28Å; L129-S132 VanDerWaalsContact O-N 3.12Å; L129-S132 PolarHBondContact O-OG 3.31Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.46Å; S132-G134 PolarHBondContact O-N 2.88Å
133	L	56.1	Low	56.3	Low	78 Å²	78	74.4 Å²	74.4	41%	0.408	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.2	172.6	-67.3	175.1	0	0	0	113.1	L89 L129 L130 K131 F135 Y158	L89-L133 HydrophobicContact CD1-CD1 4.2Å; L129-L133 HydrophobicContact CD2-CD1 3.75Å; L129-L133 HydrophobicContact CD2-CG 4.41Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.05Å; L130-L133 PolarHBondContact O-N 2.83Å; L130-L133 VanDerWaalsContact O-N 3.12Å; K131-L133 VanDerWaalsContact C-N 3.35Å; L133-F135 HydrophobicContact CB-CD2 3.99Å; L133-F135 HydrophobicContact CB-CE2 3.84Å; L133-Y158 HydrophobicContact CD1-CD2 4.24Å; L133-Y158 HydrophobicContact CD1-CE2 3.99Å
134	G	54.4	Low	55.5	Low	53 Å²	53	79.3 Å²	79.3	55%	0.546	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.5	-5.8	175.8	0	0	0	0	0	115.2	L130 K131 S132 K136	L130-G134 PolarHBondContact O-N 3.48Å; K131-G134 PolarHBondContact O-N 2.76Å; K131-G134 VanDerWaalsContact O-N 3.16Å; S132-G134 PolarHBondContact O-N 2.88Å; G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.73Å
135	F	50.7	Low	54.9	Low	31 Å²	31	79.9 Å²	79.9	14%	0.136	42%	0.415	C	S	.	.			trans	-86	67.8	-176.8	-50.6	-72.2	0	0	0	111.5	L130 K131 L133 D137 L138 Y152	L130-F135 HydrophobicContact CB-CB 4.21Å; L130-F135 HydrophobicContact CB-CD2 4.04Å; L130-F135 HydrophobicContact CD2-CD2 3.9Å; L130-F135 HydrophobicContact CD2-CE2 4.21Å; L130-F135 WeakPolarHBondContact O-CB 3.2Å; L130-F135 WeakPolarHBondContact O-CD2 3.37Å; L130-F135 PolarHBondContact O-N 3.33Å; K131-F135 WeakPolarHBondContact CA-O 3.26Å; K131-F135 VanDerWaalsContact CG-O 3.3Å; K131-F135 WeakPolarHBondContact CG-O 3.48Å; L133-F135 HydrophobicContact CB-CD2 3.99Å; L133-F135 HydrophobicContact CB-CE2 3.84Å; F135-D137 VanDerWaalsContact C-N 3.26Å; F135-D137 PolarHBondContact O-N 2.6Å; F135-L138 HydrophobicContact CB-CB 4.24Å; F135-L138 PolarHBondContact O-N 3.17Å; F135-Y152 HydrophobicContact CD1-CD1 4.18Å; F135-Y152 HydrophobicContact CD1-CG 4.1Å; F135-Y152 AromaticContact CE1-CD1 3.86Å; F135-Y152 HydrophobicContact CE1-CD1 3.86Å; F135-Y152 HydrophobicContact CE1-CG 4.04Å
136	K	54.1	Low	54.5	Low	161 Å²	161	83.2 Å²	83.2	70%	0.7	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31	-168.7	-69.6	-176.6	-178.7	176.5	0	114.8	K131 G134	K131-K136 VanDerWaalsContact CE-O 3.29Å; K131-K136 WeakPolarHBondContact CE-O 3.45Å; G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.73Å
137	D	53.4	Low	54.7	Low	142 Å²	142	81.9 Å²	81.9	76%	0.759	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-3.1	-170.9	-60.1	-43.4	0	0	0	113.8	F135 D139	F135-D137 VanDerWaalsContact C-N 3.26Å; F135-D137 PolarHBondContact O-N 2.6Å; D137-D139 PolarHBondContact O-N 2.68Å
138	L	47.9	Very low	54.7	Low	3 Å²	3	84 Å²	84	2%	0.016	44%	0.441	C	S	.	.			trans	-76.8	110.5	-179	-139.7	96.3	0	0	0	111.1	L130 K131 F135 L140 L145 D149 L153	L130-L138 HydrophobicContact CD1-CD2 3.6Å; K131-L138 WeakPolarHBondContact CE-O 3.29Å; F135-L138 HydrophobicContact CB-CB 4.24Å; F135-L138 PolarHBondContact O-N 3.17Å; L138-L140 HydrophobicContact CD2-CD2 3.74Å; L138-L140 HydrophobicContact CD2-CG 4.13Å; L138-L145 HydrophobicContact CD1-CD2 3.87Å; L138-L145 HydrophobicContact CG-CD2 4.34Å; L138-D149 HydrophobicContact CD1-CB 3.74Å; L138-L153 HydrophobicContact CD1-CD1 4.44Å; L138-L153 HydrophobicContact CD1-CD2 4.4Å; L138-L153 HydrophobicContact CD1-CG 4.49Å; L138-L153 HydrophobicContact CD2-CD2 3.95Å
139	D	50.8	Low	54.5	Low	79 Å²	79	79 Å²	79	42%	0.422	42%	0.421	S	S	.	.			trans	-116	96.1	168.3	-170.7	-7.1	0	0	0	110.1	D137 S141 R142	D137-D139 PolarHBondContact O-N 2.68Å; D139-S141 PolarHBondContact O-N 3.08Å; D139-S141 VanDerWaalsContact OD1-CB 3.3Å; D139-S141 WeakPolarHBondContact OD1-CB 3.49Å; D139-S141 PolarHBondContact OD1-N 3.22Å; D139-S141 PolarHBondContact OD1-OG 3.2Å; D139-S141 PolarHBondContact OD2-OG 3.05Å; D139-R142 PolarHBondContact O-N 3.42Å
140	L	49	Very low	54.6	Low	60 Å²	60	78.5 Å²	78.5	31%	0.314	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-9	-179.7	-64.9	175.5	0	0	0	113.8	L126 S127 L130 L138 R142	L126-L140 HydrophobicContact CB-CD1 4.18Å; S127-L140 PolarHBondContact OG-N 3.08Å; L130-L140 HydrophobicContact CD1-CD1 3.81Å; L130-L140 HydrophobicContact CD1-CG 4.39Å; L138-L140 HydrophobicContact CD2-CD2 3.74Å; L138-L140 HydrophobicContact CD2-CG 4.13Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 3.14Å
141	S	43.7	Very low	55	Low	76 Å²	76	78 Å²	78	53%	0.531	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15	177.2	71.5	0	0	0	0	113.9	D139	D139-S141 PolarHBondContact O-N 3.08Å; D139-S141 VanDerWaalsContact OD1-CB 3.3Å; D139-S141 WeakPolarHBondContact OD1-CB 3.49Å; D139-S141 PolarHBondContact OD1-N 3.22Å; D139-S141 PolarHBondContact OD1-OG 3.2Å; D139-S141 PolarHBondContact OD2-OG 3.05Å
142	R	41.8	Very low	55.1	Low	213 Å²	213	77.4 Å²	77.4	80%	0.804	41%	0.411	S	S	*	.	S	Bend	trans	-138.1	82.4	-178.8	-64.7	-176.7	179.6	-173.6	-0.4	109.7	D139 L140 H144	D139-R142 PolarHBondContact O-N 3.42Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 3.14Å; R142-H144 PolarHBondContact O-N 3.32Å
143	V	45	Very low	55.5	Low	122 Å²	122	73 Å²	73	74%	0.739	38%	0.38	S	S	*	.			trans	-69.7	86.4	-169.6	-170.8	0	0	0	0	111.6
144	H	44.4	Very low	56.3	Low	177 Å²	177	69.3 Å²	69.3	82%	0.819	36%	0.36	S	S	*	.			trans	-128.6	88.3	149.3	-148.7	-24.3	0	0	0	106.4	R142 D146	R142-H144 PolarHBondContact O-N 3.32Å; H144-D146 PolarHBondContact O-N 3.17Å
145	L	55.3	Low	56.9	Low	53 Å²	53	66.9 Å²	66.9	28%	0.277	34%	0.335	S	S	.	.			trans	-68	121.1	171.7	-66.1	166.4	0	0	0	106.8	L138 D149 C150 L153	L138-L145 HydrophobicContact CD1-CD2 3.87Å; L138-L145 HydrophobicContact CG-CD2 4.34Å; L145-D149 HydrophobicContact CD2-CB 4.08Å; L145-C150 VanDerWaalsContact CB-SG 3.59Å; L145-L153 HydrophobicContact CD1-CD1 4.05Å; L145-L153 HydrophobicContact CD2-CD1 3.92Å
146	D	60.5	Low	57.7	Low	82 Å²	82	66 Å²	66	44%	0.439	33%	0.333	S	S	.	.			trans	-74.3	169.1	168.7	74.7	25.5	0	0	0	110.1	H144 V148 D149 C150	H144-D146 PolarHBondContact O-N 3.17Å; D146-V148 PolarHBondContact O-N 3.05Å; D146-V148 WeakPolarHBondContact OD1-CA 3.49Å; D146-V148 WeakPolarHBondContact OD1-CB 3.32Å; D146-V148 PolarHBondContact OD1-N 2.96Å; D146-D149 PolarHBondContact O-N 3.11Å; D146-D149 PolarHBondContact OD1-N 2.97Å; D146-C150 PolarHBondContact O-N 2.73Å; D146-C150 VanDerWaalsContact O-N 3.15Å; D146-C150 PolarHBondContact O-SG 3.37Å; D146-C150 VanDerWaalsContact O-SG 3.41Å
147	S	64.2	Low	58.4	Low	35 Å²	35	63.9 Å²	63.9	25%	0.245	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-25.8	-178.2	50.5	0	0	0	0	113.2	L151 H190	S147-L151 WeakPolarHBondContact O-CG 3.47Å; S147-L151 PolarHBondContact O-N 3.41Å; S147-H190 VanDerWaalsContact CB-ND1 3.31Å; S147-H190 WeakPolarHBondContact CB-ND1 3.35Å; S147-H190 PolarHBondContact OG-CD2 2.85Å; S147-H190 PolarHBondContact OG-CE1 3.05Å; S147-H190 PolarHBondContact OG-ND1 3.28Å; S147-H190 VanDerWaalsContact OG-ND1 3.16Å; S147-H190 PolarHBondContact OG-NE2 2.74Å; S147-H190 VanDerWaalsContact OG-NE2 3.14Å
148	V	61.3	Low	58.9	Low	53 Å²	53	58.4 Å²	58.4	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-80.5	-44.3	-178.3	178.8	0	0	0	0	110.3	D146 C150 L151 Y152	D146-V148 PolarHBondContact O-N 3.05Å; D146-V148 WeakPolarHBondContact OD1-CA 3.49Å; D146-V148 WeakPolarHBondContact OD1-CB 3.32Å; D146-V148 PolarHBondContact OD1-N 2.96Å; V148-C150 VanDerWaalsContact C-N 3.27Å; V148-C150 PolarHBondContact O-N 3.15Å; V148-L151 WeakPolarHBondContact O-CB 3.21Å; V148-L151 PolarHBondContact O-N 3.37Å; V148-L151 VanDerWaalsContact O-N 3.13Å; V148-Y152 HydrophobicContact CG1-CD2 3.91Å; V148-Y152 HydrophobicContact CG1-CE2 3.67Å; V148-Y152 VanDerWaalsContact O-CD2 3.25Å; V148-Y152 WeakPolarHBondContact O-CD2 3.48Å; V148-Y152 PolarHBondContact O-N 2.94Å; V148-Y152 VanDerWaalsContact O-N 3.08Å
149	D	63.6	Low	59.9	Low	29 Å²	29	58.9 Å²	58.9	16%	0.155	30%	0.295	C	S	.	.	H	α-helix	trans	-55.9	-44.3	172.8	-75.2	-27	0	0	0	110.8	L138 L145 D146 L151 Y152 L153	L138-D149 HydrophobicContact CD1-CB 3.74Å; L145-D149 HydrophobicContact CD2-CB 4.08Å; D146-D149 PolarHBondContact O-N 3.11Å; D146-D149 PolarHBondContact OD1-N 2.97Å; D149-L151 VanDerWaalsContact C-N 3.33Å; D149-L151 PolarHBondContact O-N 3.48Å; D149-Y152 WeakPolarHBondContact O-CB 3.39Å; D149-Y152 PolarHBondContact O-N 3.42Å; D149-L153 VanDerWaalsContact O-CG 3.29Å; D149-L153 WeakPolarHBondContact O-CG 3.32Å; D149-L153 PolarHBondContact O-N 3.47Å
150	C	67.3	Low	61.2	Low	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-41.9	176.2	-69.4	0	0	0	0	112.6	L145 D146 V148 Y152 L153 L154 M184	L145-C150 VanDerWaalsContact CB-SG 3.59Å; D146-C150 PolarHBondContact O-N 2.73Å; D146-C150 VanDerWaalsContact O-N 3.15Å; D146-C150 PolarHBondContact O-SG 3.37Å; D146-C150 VanDerWaalsContact O-SG 3.41Å; V148-C150 VanDerWaalsContact C-N 3.27Å; V148-C150 PolarHBondContact O-N 3.15Å; C150-Y152 VanDerWaalsContact C-N 3.34Å; C150-Y152 PolarHBondContact O-N 3.38Å; C150-L153 PolarHBondContact O-N 2.94Å; C150-L154 WeakPolarHBondContact O-CB 3.3Å; C150-L154 WeakPolarHBondContact O-CG 3.33Å; C150-L154 PolarHBondContact O-N 3.21Å; C150-M184 HydrophobicContact CB-CE 4.23Å; C150-M184 HydrophobicContact CB-SD 3.83Å; C150-M184 VanDerWaalsContact SG-CE 3.56Å; C150-M184 PolarHBondContact SG-SD 3.25Å
151	L	67.4	Low	62.6	Low	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-40.2	177.8	-73.4	168.2	0	0	0	112.5	V55 L59 S147 V148 D149 L154 S155 V186 H190 V191 F194	V55-L151 HydrophobicContact CG1-CD2 3.56Å; L59-L151 HydrophobicContact CD1-CD2 4.24Å; S147-L151 WeakPolarHBondContact O-CG 3.47Å; S147-L151 PolarHBondContact O-N 3.41Å; V148-L151 WeakPolarHBondContact O-CB 3.21Å; V148-L151 PolarHBondContact O-N 3.37Å; V148-L151 VanDerWaalsContact O-N 3.13Å; D149-L151 VanDerWaalsContact C-N 3.33Å; D149-L151 PolarHBondContact O-N 3.48Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-S155 WeakPolarHBondContact O-CB 3.38Å; L151-S155 PolarHBondContact O-N 2.75Å; L151-V186 HydrophobicContact CD1-CG1 4.34Å; L151-V186 HydrophobicContact CD2-CG1 3.93Å; L151-V186 HydrophobicContact CG-CG1 4.1Å; L151-H190 VanDerWaalsContact CD1-C 3.48Å; L151-H190 HydrophobicContact CD1-CB 3.91Å; L151-H190 WeakPolarHBondContact CD1-O 3.49Å; L151-V191 HydrophobicContact CD2-CB 4.48Å; L151-V191 HydrophobicContact CD2-CG2 3.86Å; L151-F194 HydrophobicContact CB-CB 4.48Å; L151-F194 HydrophobicContact CB-CD1 4.39Å; L151-F194 HydrophobicContact CB-CD2 3.85Å; L151-F194 HydrophobicContact CB-CE2 4.11Å; L151-F194 HydrophobicContact CB-CG 4Å; L151-F194 HydrophobicContact CB-CZ 4.49Å; L151-F194 HydrophobicContact CD1-CB 3.75Å; L151-F194 HydrophobicContact CD1-CD2 4.49Å; L151-F194 HydrophobicContact CD1-CG 4.2Å
152	Y	66.8	Low	64.1	Low	82 Å²	82	50.9 Å²	50.9	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-45.3	173.2	-88.2	-62.6	0	0	0	111.9	F135 V148 D149 C150 S155 S156 F194	F135-Y152 HydrophobicContact CD1-CD1 4.18Å; F135-Y152 HydrophobicContact CD1-CG 4.1Å; F135-Y152 AromaticContact CE1-CD1 3.86Å; F135-Y152 HydrophobicContact CE1-CD1 3.86Å; F135-Y152 HydrophobicContact CE1-CG 4.04Å; V148-Y152 HydrophobicContact CG1-CD2 3.91Å; V148-Y152 HydrophobicContact CG1-CE2 3.67Å; V148-Y152 VanDerWaalsContact O-CD2 3.25Å; V148-Y152 WeakPolarHBondContact O-CD2 3.48Å; V148-Y152 PolarHBondContact O-N 2.94Å; V148-Y152 VanDerWaalsContact O-N 3.08Å; D149-Y152 WeakPolarHBondContact O-CB 3.39Å; D149-Y152 PolarHBondContact O-N 3.42Å; C150-Y152 VanDerWaalsContact C-N 3.34Å; C150-Y152 PolarHBondContact O-N 3.38Å; Y152-S155 PolarHBondContact O-N 3.32Å; Y152-S155 PolarHBondContact O-OG 3.11Å; Y152-S156 PolarHBondContact O-N 2.72Å; Y152-F194 AromaticContact CD1-CE2 3.61Å; Y152-F194 HydrophobicContact CD1-CE2 3.61Å; Y152-F194 HydrophobicContact CD1-CZ 4.02Å; Y152-F194 AromaticContact CD2-CE2 3.95Å; Y152-F194 HydrophobicContact CD2-CE2 3.95Å; Y152-F194 AromaticContact CE1-CE2 3.59Å; Y152-F194 HydrophobicContact CE1-CE2 3.59Å; Y152-F194 HydrophobicContact CE1-CZ 4.16Å; Y152-F194 HydrophobicContact CE2-CD2 4.38Å; Y152-F194 AromaticContact CE2-CE2 3.93Å; Y152-F194 HydrophobicContact CE2-CE2 3.93Å; Y152-F194 AromaticContact CG-CE2 3.79Å; Y152-F194 HydrophobicContact CG-CE2 3.79Å; Y152-F194 HydrophobicContact CG-CZ 4.44Å; Y152-F194 AromaticContact CZ-CE2 3.74Å
153	L	66.9	Low	65.8	Low	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-48.3	176.5	-61.5	174.4	0	0	0	111.2	L138 L145 D149 C150 S155 S156 F159 L181	L138-L153 HydrophobicContact CD1-CD1 4.44Å; L138-L153 HydrophobicContact CD1-CD2 4.4Å; L138-L153 HydrophobicContact CD1-CG 4.49Å; L138-L153 HydrophobicContact CD2-CD2 3.95Å; L145-L153 HydrophobicContact CD1-CD1 4.05Å; L145-L153 HydrophobicContact CD2-CD1 3.92Å; D149-L153 VanDerWaalsContact O-CG 3.29Å; D149-L153 WeakPolarHBondContact O-CG 3.32Å; D149-L153 PolarHBondContact O-N 3.47Å; C150-L153 PolarHBondContact O-N 2.94Å; L153-S155 PolarHBondContact O-N 3.08Å; L153-S156 VanDerWaalsContact O-CB 3.31Å; L153-S156 WeakPolarHBondContact O-CB 3.07Å; L153-S156 PolarHBondContact O-N 2.85Å; L153-F159 HydrophobicContact CB-CD1 4.18Å; L153-F159 HydrophobicContact CB-CD2 4.34Å; L153-F159 HydrophobicContact CB-CG 4.07Å; L153-F159 HydrophobicContact CD2-CD1 4.16Å; L153-F159 HydrophobicContact CD2-CD2 4.08Å; L153-F159 HydrophobicContact CD2-CE1 3.72Å; L153-F159 HydrophobicContact CD2-CE2 3.63Å; L153-F159 HydrophobicContact CD2-CG 4.34Å; L153-F159 HydrophobicContact CD2-CZ 3.46Å; L153-F159 VanDerWaalsContact CD2-CZ 3.46Å; L153-F159 HydrophobicContact CG-CE1 4.49Å; L153-F159 WeakPolarHBondContact O-CB 3.38Å; L153-L181 HydrophobicContact CB-CD1 3.83Å; L153-L181 HydrophobicContact CD1-CD1 4.34Å; L153-L181 HydrophobicContact CD1-CD2 4.36Å
154	L	73.8	Confident	67.3	Low	1 Å²	1	37 Å²	37	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-29.1	179.4	-67	170.8	0	0	0	112.9	V55 S56 C150 L151 S156 T161 L181 V186	V55-L154 HydrophobicContact CB-CD1 4.35Å; V55-L154 HydrophobicContact CG1-CD1 4.34Å; S56-L154 PolarHBondContact OG-O 2.78Å; C150-L154 WeakPolarHBondContact O-CB 3.3Å; C150-L154 WeakPolarHBondContact O-CG 3.33Å; C150-L154 PolarHBondContact O-N 3.21Å; L151-L154 PolarHBondContact O-N 3.33Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.43Å; L154-T161 HydrophobicContact CD2-CG2 3.53Å; L154-L181 HydrophobicContact CD2-CD1 4.06Å; L154-L181 HydrophobicContact CG-CD1 4.48Å; L154-V186 HydrophobicContact CD1-CG2 4.02Å
155	S	67.2	Low	68.9	Low	2 Å²	2	30.5 Å²	30.5	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-71.4	-21	174.6	75.6	0	0	0	0	114.2	L151 Y152 L153	L151-S155 WeakPolarHBondContact O-CB 3.38Å; L151-S155 PolarHBondContact O-N 2.75Å; Y152-S155 PolarHBondContact O-N 3.32Å; Y152-S155 PolarHBondContact O-OG 3.11Å; L153-S155 PolarHBondContact O-N 3.08Å
156	S	67.2	Low	69.9	Low	12 Å²	12	32.9 Å²	32.9	8%	0.084	17%	0.167	C	C	.	.	S	Bend	trans	-82.5	134.4	-175.7	173.5	0	0	0	0	111.2	K60 Y152 L153 L154 Y158 F159	K60-S156 WeakPolarHBondContact CE-O 3.38Å; Y152-S156 PolarHBondContact O-N 2.72Å; L153-S156 VanDerWaalsContact O-CB 3.31Å; L153-S156 WeakPolarHBondContact O-CB 3.07Å; L153-S156 PolarHBondContact O-N 2.85Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.43Å; S156-Y158 PolarHBondContact O-N 2.92Å; S156-Y158 WeakPolarHBondContact OG-CD2 2.96Å; S156-Y158 PolarHBondContact OG-N 2.75Å; S156-F159 PolarHBondContact O-N 3.43Å; S156-F159 VanDerWaalsContact O-N 3.16Å
157	K	68.2	Low	70.7	Confident	117 Å²	117	33.2 Å²	33.2	51%	0.509	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.2	173.2	70.7	-174.7	180	-171.3	0	114.2	R178	K157-R178 PolarHBondContact O-NE 3.33Å
158	Y	64.9	Low	71.1	Confident	28 Å²	28	32 Å²	32	11%	0.11	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.2	-178.5	-49	-52.8	0	0	0	113.5	L89 L133 S156 R178 V179	L89-Y158 HydrophobicContact CB-CD1 3.7Å; L89-Y158 HydrophobicContact CB-CE1 3.45Å; L89-Y158 VanDerWaalsContact CB-CE1 3.45Å; L89-Y158 HydrophobicContact CB-CG 4.37Å; L89-Y158 HydrophobicContact CD1-CE2 4.27Å; L89-Y158 HydrophobicContact CD2-CD1 3.89Å; L89-Y158 HydrophobicContact CD2-CD2 4.18Å; L89-Y158 HydrophobicContact CD2-CE1 4.4Å; L89-Y158 HydrophobicContact CD2-CG 3.78Å; L89-Y158 HydrophobicContact CG-CD1 4.3Å; L89-Y158 HydrophobicContact CG-CE1 4.33Å; L89-Y158 WeakPolarHBondContact O-CD1 3.39Å; L89-Y158 WeakPolarHBondContact O-CE1 3.44Å; L133-Y158 HydrophobicContact CD1-CD2 4.24Å; L133-Y158 HydrophobicContact CD1-CE2 3.99Å; S156-Y158 PolarHBondContact O-N 2.92Å; S156-Y158 WeakPolarHBondContact OG-CD2 2.96Å; S156-Y158 PolarHBondContact OG-N 2.75Å; Y158-R178 CarbonylContact O-C 3.49Å; Y158-R178 WeakPolarHBondContact O-CA 3.17Å; Y158-V179 PolarHBondContact O-N 3.4Å
159	F	69.3	Low	71.6	Confident	13 Å²	13	37 Å²	37	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.3	175.8	-66.2	-97.5	0	0	0	109.2	K60 L130 L153 S156 V179 L181	K60-F159 WeakPolarHBondContact CE-O 3.27Å; K60-F159 PolarHBondContact NZ-O 3.42Å; L130-F159 HydrophobicContact CD1-CZ 4.31Å; L130-F159 HydrophobicContact CD2-CE2 3.83Å; L130-F159 HydrophobicContact CD2-CZ 3.83Å; L153-F159 HydrophobicContact CB-CD1 4.18Å; L153-F159 HydrophobicContact CB-CD2 4.34Å; L153-F159 HydrophobicContact CB-CG 4.07Å; L153-F159 HydrophobicContact CD2-CD1 4.16Å; L153-F159 HydrophobicContact CD2-CD2 4.08Å; L153-F159 HydrophobicContact CD2-CE1 3.72Å; L153-F159 HydrophobicContact CD2-CE2 3.63Å; L153-F159 HydrophobicContact CD2-CG 4.34Å; L153-F159 HydrophobicContact CD2-CZ 3.46Å; L153-F159 VanDerWaalsContact CD2-CZ 3.46Å; L153-F159 HydrophobicContact CG-CE1 4.49Å; L153-F159 WeakPolarHBondContact O-CB 3.38Å; S156-F159 PolarHBondContact O-N 3.43Å; S156-F159 VanDerWaalsContact O-N 3.16Å; F159-V179 WeakPolarHBondContact CA-O 3.29Å; F159-V179 HydrophobicContact CD1-CB 3.58Å; F159-V179 HydrophobicContact CD1-CG1 3.87Å; F159-V179 HydrophobicContact CD1-CG2 4.48Å; F159-V179 HydrophobicContact CE1-CB 3.56Å; F159-V179 HydrophobicContact CE1-CG1 3.71Å; F159-V179 HydrophobicContact CE1-CG2 4.06Å; F159-V179 HydrophobicContact CG-CB 4.43Å; F159-V179 HydrophobicContact CZ-CB 4.4Å; F159-V179 HydrophobicContact CZ-CG2 4.49Å; F159-L181 HydrophobicContact CB-CD1 4.24Å; F159-L181 HydrophobicContact CD1-CD1 4.16Å; F159-L181 HydrophobicContact CD1-CD2 4.11Å; F159-L181 HydrophobicContact CD1-CG 4.09Å
160	M	77.3	Confident	72.1	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.1	169.7	70.6	-169.6	-43.4	0	0	110.7	E164 E165 L175 R178 V179 V180 L181	M160-E164 WeakPolarHBondContact CA-OE2 3.24Å; M160-E164 HydrophobicContact CB-CB 4.08Å; M160-E164 VanDerWaalsContact CB-OE2 3.29Å; M160-E164 WeakPolarHBondContact CB-OE2 3.45Å; M160-E164 VanDerWaalsContact CE-C 3.49Å; M160-E164 HydrophobicContact CE-CB 3.54Å; M160-E165 HydrophobicContact SD-CB 4.3Å; M160-L175 HydrophobicContact CE-CD2 3.3Å; M160-L175 HydrophobicContact SD-CD2 3.38Å; M160-L175 WeakPolarHBondContact SD-CD2 3.27Å; M160-L175 HydrophobicContact SD-CG 4.42Å; M160-R178 HydrophobicContact CB-CB 4.48Å; M160-R178 HydrophobicContact CG-CB 3.94Å; M160-R178 HydrophobicContact SD-CB 3.74Å; M160-R178 VanDerWaalsContact SD-CD 3.56Å; M160-R178 HydrophobicContact SD-CG 4.3Å; M160-V179 PolarHBondContact N-O 2.94Å; M160-V180 HydrophobicContact CG-CG2 4.16Å; M160-V180 CarbonylContact O-C 3.53Å; M160-V180 VanDerWaalsContact O-CA 3.27Å; M160-V180 WeakPolarHBondContact O-CA 3.32Å; M160-L181 PolarHBondContact O-N 3.35Å
161	T	78.8	Confident	72.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	166.3	175.3	81.8	0	0	0	0	111.9	H53 L154 T163 E164 E165 L181 D183	H53-T161 HydrophobicContact CB-CG2 4.2Å; H53-T161 VanDerWaalsContact CB-OG1 3.25Å; H53-T161 WeakPolarHBondContact CB-OG1 3.34Å; L154-T161 HydrophobicContact CD2-CG2 3.53Å; T161-T163 VanDerWaalsContact C-N 3.27Å; T161-T163 PolarHBondContact O-N 3.29Å; T161-T163 PolarHBondContact OG1-N 3.46Å; T161-E164 PolarHBondContact N-OE2 2.99Å; T161-E164 PolarHBondContact O-N 3.02Å; T161-E164 PolarHBondContact OG1-N 2.95Å; T161-E165 PolarHBondContact O-N 3.22Å; T161-L181 CarbonylContact C-O 3.56Å; T161-L181 VanDerWaalsContact CA-O 3.29Å; T161-L181 WeakPolarHBondContact CA-O 3.4Å; T161-D183 WeakPolarHBondContact CB-OD1 3.42Å; T161-D183 PolarHBondContact OG1-OD1 3.02Å
162	S	74.2	Confident	72.3	Confident	41 Å²	41	55.8 Å²	55.8	29%	0.287	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-36.4	174.8	40.4	0	0	0	0	113	E165 E166 L181 D183	S162-E165 PolarHBondContact O-N 3.38Å; S162-E166 PolarHBondContact O-N 2.9Å; S162-L181 PolarHBondContact N-O 3.39Å; S162-D183 PolarHBondContact OG-N 3.25Å; S162-D183 PolarHBondContact OG-OD2 2.83Å
163	T	78.9	Confident	71.7	Confident	35 Å²	35	55.6 Å²	55.6	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-46.6	173.8	-65.3	0	0	0	0	111	H53 T161 E165 E166 E167 D183	H53-T163 HydrophobicContact CB-CG2 4.28Å; T161-T163 VanDerWaalsContact C-N 3.27Å; T161-T163 PolarHBondContact O-N 3.29Å; T161-T163 PolarHBondContact OG1-N 3.46Å; T163-E165 VanDerWaalsContact C-N 3.25Å; T163-E165 PolarHBondContact O-N 3.18Å; T163-E166 PolarHBondContact O-N 3.39Å; T163-E167 HydrophobicContact CG2-CG 4.48Å; T163-E167 WeakPolarHBondContact O-CG 3.48Å; T163-E167 PolarHBondContact O-N 3.23Å; T163-D183 WeakPolarHBondContact CB-OD1 3.38Å; T163-D183 WeakPolarHBondContact CB-OD2 3.38Å; T163-D183 PolarHBondContact N-OD1 3.09Å; T163-D183 PolarHBondContact N-OD2 3.36Å; T163-D183 PolarHBondContact OG1-OD1 3.48Å; T163-D183 VanDerWaalsContact OG1-OD1 3.12Å; T163-D183 PolarHBondContact OG1-OD2 2.72Å
164	E	76.2	Confident	71.1	Confident	9 Å²	9	58.7 Å²	58.7	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-36.6	176.6	-65.2	-178.4	110	0	0	111.5	H53 S56 H57 K60 M160 T161 A168	H53-E164 HydrophobicContact CB-CG 3.95Å; S56-E164 WeakPolarHBondContact CB-OE2 3.36Å; S56-E164 PolarHBondContact OG-OE1 3.45Å; S56-E164 PolarHBondContact OG-OE2 3.46Å; H57-E164 IonicContact CD2-OE1 2.74Å; H57-E164 IonicContact CE1-OE1 2.72Å; H57-E164 IonicContact NE2-OE1 3.1Å; K60-E164 IonicContact NZ-OE1 3.95Å; K60-E164 PolarHBondContact NZ-OE1 2.8Å; K60-E164 IonicContact NZ-OE2 2.73Å; K60-E164 PolarHBondContact NZ-OE2 3.1Å; M160-E164 WeakPolarHBondContact CA-OE2 3.24Å; M160-E164 HydrophobicContact CB-CB 4.08Å; M160-E164 VanDerWaalsContact CB-OE2 3.29Å; M160-E164 WeakPolarHBondContact CB-OE2 3.45Å; M160-E164 VanDerWaalsContact CE-C 3.49Å; M160-E164 HydrophobicContact CE-CB 3.54Å; T161-E164 PolarHBondContact N-OE2 2.99Å; T161-E164 PolarHBondContact O-N 3.02Å; T161-E164 PolarHBondContact OG1-N 2.95Å; E164-A168 WeakPolarHBondContact O-CB 3.29Å; E164-A168 PolarHBondContact O-N 3.31Å
165	E	78.2	Confident	70.1	Confident	41 Å²	41	60.5 Å²	60.5	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-46.4	176.1	172.3	174.6	-138.5	0	0	111.3	M160 T161 S162 T163 A168 R169 L175 V180	M160-E165 HydrophobicContact SD-CB 4.3Å; T161-E165 PolarHBondContact O-N 3.22Å; S162-E165 PolarHBondContact O-N 3.38Å; T163-E165 VanDerWaalsContact C-N 3.25Å; T163-E165 PolarHBondContact O-N 3.18Å; E165-A168 PolarHBondContact O-N 2.98Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.31Å; E165-R169 IonicContact OE1-CZ 3.09Å; E165-R169 IonicContact OE1-NE 3.73Å; E165-R169 IonicContact OE1-NH2 2.6Å; E165-R169 PolarHBondContact OE1-NH2 3.1Å; E165-R169 IonicContact OE2-NH2 2.62Å; E165-L175 HydrophobicContact CB-CD1 4.47Å; E165-L175 HydrophobicContact CG-CD1 3.8Å; E165-V180 HydrophobicContact CB-CG1 4.35Å; E165-V180 HydrophobicContact CB-CG2 4.29Å; E165-V180 HydrophobicContact CG-CG2 4.41Å
166	E	76	Confident	69.6	Low	102 Å²	102	61.8 Å²	61.8	48%	0.477	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-41.9	179.5	-165.6	-178.8	167.8	0	0	111.5	S162 T163 A168 R169 R170	S162-E166 PolarHBondContact O-N 2.9Å; T163-E166 PolarHBondContact O-N 3.39Å; E166-A168 PolarHBondContact O-N 2.79Å; E166-R169 PolarHBondContact O-N 3.07Å; E166-R170 WeakPolarHBondContact O-CB 3.49Å; E166-R170 VanDerWaalsContact O-CG 3.3Å; E166-R170 WeakPolarHBondContact O-CG 3.28Å; E166-R170 PolarHBondContact O-N 3.22Å; E166-R170 IonicContact OE1-CZ 3.96Å; E166-R170 IonicContact OE1-NE 3.09Å; E166-R170 PolarHBondContact OE1-NE 3.16Å; E166-R170 IonicContact OE1-NH2 3.73Å; E166-R170 PolarHBondContact OE1-NH2 3.22Å
167	E	77.6	Confident	69	Low	90 Å²	90	64.9 Å²	64.9	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-42.1	174.8	-73.7	-177.1	177.4	0	0	112.3	T163 R170 T171	T163-E167 HydrophobicContact CG2-CG 4.48Å; T163-E167 WeakPolarHBondContact O-CG 3.48Å; T163-E167 PolarHBondContact O-N 3.23Å; E167-R170 PolarHBondContact O-N 3.37Å; E167-T171 WeakPolarHBondContact O-CB 3.47Å; E167-T171 WeakPolarHBondContact O-CG2 3.44Å; E167-T171 PolarHBondContact O-N 3.19Å; E167-T171 PolarHBondContact O-OG1 2.96Å
168	A	72.1	Confident	68.8	Low	10 Å²	10	64 Å²	64	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-42.9	175.8	0	0	0	0	0	112.1	E164 E165 E166 R170 T171 K172 T173 L175	E164-A168 WeakPolarHBondContact O-CB 3.29Å; E164-A168 PolarHBondContact O-N 3.31Å; E165-A168 PolarHBondContact O-N 2.98Å; E166-A168 PolarHBondContact O-N 2.79Å; A168-R170 PolarHBondContact O-N 2.93Å; A168-T171 WeakPolarHBondContact CA-OG1 3.22Å; A168-T171 CarbonylContact O-C 3.58Å; A168-T171 PolarHBondContact O-N 3.16Å; A168-T171 PolarHBondContact O-OG1 3.23Å; A168-T171 VanDerWaalsContact O-OG1 3.07Å; A168-K172 PolarHBondContact O-N 2.99Å; A168-T173 PolarHBondContact O-N 3.46Å; A168-L175 HydrophobicContact CB-CD1 4.15Å; A168-L175 HydrophobicContact CB-CD2 3.11Å; A168-L175 HydrophobicContact CB-CG 3.73Å
169	R	72.3	Confident	68.7	Low	158 Å²	158	66.3 Å²	66.3	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-61.5	-43.2	174.9	-72.2	178.3	-173.9	177.3	2.2	111.7	E165 E166 T171 K172 L175	E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.31Å; E165-R169 IonicContact OE1-CZ 3.09Å; E165-R169 IonicContact OE1-NE 3.73Å; E165-R169 IonicContact OE1-NH2 2.6Å; E165-R169 PolarHBondContact OE1-NH2 3.1Å; E165-R169 IonicContact OE2-NH2 2.62Å; E166-R169 PolarHBondContact O-N 3.07Å; R169-T171 VanDerWaalsContact C-N 3.29Å; R169-T171 PolarHBondContact O-N 2.68Å; R169-K172 PolarHBondContact O-N 3.24Å; R169-K172 VanDerWaalsContact O-N 3.16Å; R169-L175 HydrophobicContact CG-CD1 4.24Å
170	R	74	Confident	68.6	Low	184 Å²	184	68.2 Å²	68.2	69%	0.694	33%	0.333	S	S	*	.	H	α-helix	trans	-61.6	-37.4	176.4	-74.7	176.2	-175.1	-173.4	4.3	112.4	E166 E167 A168 K172	E166-R170 WeakPolarHBondContact O-CB 3.49Å; E166-R170 VanDerWaalsContact O-CG 3.3Å; E166-R170 WeakPolarHBondContact O-CG 3.28Å; E166-R170 PolarHBondContact O-N 3.22Å; E166-R170 IonicContact OE1-CZ 3.96Å; E166-R170 IonicContact OE1-NE 3.09Å; E166-R170 PolarHBondContact OE1-NE 3.16Å; E166-R170 IonicContact OE1-NH2 3.73Å; E166-R170 PolarHBondContact OE1-NH2 3.22Å; E167-R170 PolarHBondContact O-N 3.37Å; A168-R170 PolarHBondContact O-N 2.93Å; R170-K172 VanDerWaalsContact C-N 3.3Å
171	T	69.3	Low	68.2	Low	93 Å²	93	68.8 Å²	68.8	57%	0.571	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	1.3	179.4	53.4	0	0	0	0	113.5	E167 A168 R169 T173	E167-T171 WeakPolarHBondContact O-CB 3.47Å; E167-T171 WeakPolarHBondContact O-CG2 3.44Å; E167-T171 PolarHBondContact O-N 3.19Å; E167-T171 PolarHBondContact O-OG1 2.96Å; A168-T171 WeakPolarHBondContact CA-OG1 3.22Å; A168-T171 CarbonylContact O-C 3.58Å; A168-T171 PolarHBondContact O-N 3.16Å; A168-T171 PolarHBondContact O-OG1 3.23Å; A168-T171 VanDerWaalsContact O-OG1 3.07Å; R169-T171 VanDerWaalsContact C-N 3.29Å; R169-T171 PolarHBondContact O-N 2.68Å; T171-T173 WeakPolarHBondContact CB-OG1 3.31Å; T171-T173 PolarHBondContact O-N 2.93Å; T171-T173 WeakPolarHBondContact OG1-CB 3.32Å; T171-T173 PolarHBondContact OG1-OG1 3.22Å
172	K	68.2	Low	67.8	Low	147 Å²	147	73.3 Å²	73.3	64%	0.639	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	32.5	-171.8	-55.6	-174.2	176.3	-166.6	0	112.3	A168 R169 R170	A168-K172 PolarHBondContact O-N 2.99Å; R169-K172 PolarHBondContact O-N 3.24Å; R169-K172 VanDerWaalsContact O-N 3.16Å; R170-K172 VanDerWaalsContact C-N 3.3Å
173	T	55.2	Low	67.8	Low	78 Å²	78	74.5 Å²	74.5	48%	0.479	37%	0.369	S	S	.	.			trans	-84	128.4	179.4	-58.1	0	0	0	0	109.1	A168 T171 L175	A168-T173 PolarHBondContact O-N 3.46Å; T171-T173 WeakPolarHBondContact CB-OG1 3.31Å; T171-T173 PolarHBondContact O-N 2.93Å; T171-T173 WeakPolarHBondContact OG1-CB 3.32Å; T171-T173 PolarHBondContact OG1-OG1 3.22Å; T173-L175 PolarHBondContact O-N 3.45Å
174	R	53.5	Low	67.6	Low	67 Å²	67	76 Å²	76	25%	0.253	37%	0.374	S	S	.	.			trans	-55.8	124.7	175.4	-77.4	179.5	167.5	-132.4	-25.7	111.8	L108 V110 T113	L108-R174 PolarHBondContact O-NE 3.31Å; L108-R174 PolarHBondContact O-NH2 3.03Å; V110-R174 VanDerWaalsContact N-NH1 3.18Å; T113-R174 PolarHBondContact OG1-NH1 3.22Å
175	L	53.9	Low	67.6	Low	38 Å²	38	80.6 Å²	80.6	20%	0.199	40%	0.399	C	S	.	.			trans	-87.9	-36.3	178.4	-73	175.6	0	0	0	113.5	M160 E165 A168 R169 T173 R178	M160-L175 HydrophobicContact CE-CD2 3.3Å; M160-L175 HydrophobicContact SD-CD2 3.38Å; M160-L175 WeakPolarHBondContact SD-CD2 3.27Å; M160-L175 HydrophobicContact SD-CG 4.42Å; E165-L175 HydrophobicContact CB-CD1 4.47Å; E165-L175 HydrophobicContact CG-CD1 3.8Å; A168-L175 HydrophobicContact CB-CD1 4.15Å; A168-L175 HydrophobicContact CB-CD2 3.11Å; A168-L175 HydrophobicContact CB-CG 3.73Å; R169-L175 HydrophobicContact CG-CD1 4.24Å; T173-L175 PolarHBondContact O-N 3.45Å; L175-R178 WeakPolarHBondContact O-CD 3.31Å; L175-R178 WeakPolarHBondContact O-CG 3.28Å; L175-R178 PolarHBondContact O-NE 3.38Å
176	G	56.4	Low	67.2	Low	30 Å²	30	78.8 Å²	78.8	31%	0.309	39%	0.39	S	S	.	.			trans	60.9	-176.2	-164.4	0	0	0	0	0	111.7	R178	G176-R178 PolarHBondContact O-N 3.17Å
177	Q	54.6	Low	67	Low	77 Å²	77	79.6 Å²	79.6	36%	0.36	39%	0.394	S	S	.	.	S	Bend	trans	-75	81.5	172.2	-71.7	-157.5	-11.7	0	0	110.8	L88 E98	L88-Q177 VanDerWaalsContact CD1-OE1 3.24Å; L88-Q177 HydrophobicContact CD2-CG 4.34Å; E98-Q177 WeakPolarHBondContact OE1-CG 3.27Å
178	R	64.6	Low	66.5	Low	99 Å²	99	75.7 Å²	75.7	37%	0.374	38%	0.378	S	S	.	.			trans	-96.9	135.4	164.3	-67.8	176.6	-179.1	178.7	3.8	108.8	K157 Y158 M160 L175 G176 V180	K157-R178 PolarHBondContact O-NE 3.33Å; Y158-R178 CarbonylContact O-C 3.49Å; Y158-R178 WeakPolarHBondContact O-CA 3.17Å; M160-R178 HydrophobicContact CB-CB 4.48Å; M160-R178 HydrophobicContact CG-CB 3.94Å; M160-R178 HydrophobicContact SD-CB 3.74Å; M160-R178 VanDerWaalsContact SD-CD 3.56Å; M160-R178 HydrophobicContact SD-CG 4.3Å; L175-R178 WeakPolarHBondContact O-CD 3.31Å; L175-R178 WeakPolarHBondContact O-CG 3.28Å; L175-R178 PolarHBondContact O-NE 3.38Å; G176-R178 PolarHBondContact O-N 3.17Å; R178-V180 PolarHBondContact O-N 3.14Å
179	V	61.7	Low	66.2	Low	76 Å²	76	79 Å²	79	46%	0.461	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.9	171.6	177.1	0	0	0	0	107.5	Y158 F159 M160 L181	Y158-V179 PolarHBondContact O-N 3.4Å; F159-V179 WeakPolarHBondContact CA-O 3.29Å; F159-V179 HydrophobicContact CD1-CB 3.58Å; F159-V179 HydrophobicContact CD1-CG1 3.87Å; F159-V179 HydrophobicContact CD1-CG2 4.48Å; F159-V179 HydrophobicContact CE1-CB 3.56Å; F159-V179 HydrophobicContact CE1-CG1 3.71Å; F159-V179 HydrophobicContact CE1-CG2 4.06Å; F159-V179 HydrophobicContact CG-CB 4.43Å; F159-V179 HydrophobicContact CZ-CB 4.4Å; F159-V179 HydrophobicContact CZ-CG2 4.49Å; M160-V179 PolarHBondContact N-O 2.94Å; V179-L181 PolarHBondContact O-N 3.19Å
180	V	67.1	Low	65.9	Low	52 Å²	52	73.6 Å²	73.6	32%	0.315	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.9	178.6	-174.7	0	0	0	0	108.9	M160 E165 R178	M160-V180 HydrophobicContact CG-CG2 4.16Å; M160-V180 CarbonylContact O-C 3.53Å; M160-V180 VanDerWaalsContact O-CA 3.27Å; M160-V180 WeakPolarHBondContact O-CA 3.32Å; E165-V180 HydrophobicContact CB-CG1 4.35Å; E165-V180 HydrophobicContact CB-CG2 4.29Å; E165-V180 HydrophobicContact CG-CG2 4.41Å; R178-V180 PolarHBondContact O-N 3.14Å
181	L	68.6	Low	65.6	Low	16 Å²	16	64.8 Å²	64.8	8%	0.084	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.5	170.2	-61.5	176.3	0	0	0	108.9	L153 L154 F159 M160 T161 S162 V179 D183	L153-L181 HydrophobicContact CB-CD1 3.83Å; L153-L181 HydrophobicContact CD1-CD1 4.34Å; L153-L181 HydrophobicContact CD1-CD2 4.36Å; L154-L181 HydrophobicContact CD2-CD1 4.06Å; L154-L181 HydrophobicContact CG-CD1 4.48Å; F159-L181 HydrophobicContact CB-CD1 4.24Å; F159-L181 HydrophobicContact CD1-CD1 4.16Å; F159-L181 HydrophobicContact CD1-CD2 4.11Å; F159-L181 HydrophobicContact CD1-CG 4.09Å; M160-L181 PolarHBondContact O-N 3.35Å; T161-L181 CarbonylContact C-O 3.56Å; T161-L181 VanDerWaalsContact CA-O 3.29Å; T161-L181 WeakPolarHBondContact CA-O 3.4Å; S162-L181 PolarHBondContact N-O 3.39Å; V179-L181 PolarHBondContact O-N 3.19Å; L181-D183 PolarHBondContact O-N 2.85Å
182	P	71	Confident	65.3	Low	96 Å²	96	60.4 Å²	60.4	62%	0.623	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-58.3	143.1	169.4	26.8	-33.2	0	0	0	109.3	M184	P182-M184 PolarHBondContact O-N 3.45Å
183	D	73.8	Confident	65.1	Low	67 Å²	67	57.7 Å²	57.7	36%	0.358	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-57.6	118.5	169.3	-71.2	-50.6	0	0	0	108.8	T161 S162 T163 L181	T161-D183 WeakPolarHBondContact CB-OD1 3.42Å; T161-D183 PolarHBondContact OG1-OD1 3.02Å; S162-D183 PolarHBondContact OG-N 3.25Å; S162-D183 PolarHBondContact OG-OD2 2.83Å; T163-D183 WeakPolarHBondContact CB-OD1 3.38Å; T163-D183 WeakPolarHBondContact CB-OD2 3.38Å; T163-D183 PolarHBondContact N-OD1 3.09Å; T163-D183 PolarHBondContact N-OD2 3.36Å; T163-D183 PolarHBondContact OG1-OD1 3.48Å; T163-D183 VanDerWaalsContact OG1-OD1 3.12Å; T163-D183 PolarHBondContact OG1-OD2 2.72Å; L181-D183 PolarHBondContact O-N 2.85Å
184	M	76.2	Confident	65.6	Low	65 Å²	65	54.3 Å²	54.3	32%	0.32	28%	0.283	S	S	.	.			trans	-129.3	145.7	179.2	67.4	-176.5	-55.3	0	0	109.6	G52 C150 P182	G52-M184 WeakPolarHBondContact CA-O 3.31Å; G52-M184 PolarHBondContact N-O 3.03Å; C150-M184 HydrophobicContact CB-CE 4.23Å; C150-M184 HydrophobicContact CB-SD 3.83Å; C150-M184 VanDerWaalsContact SG-CE 3.56Å; C150-M184 PolarHBondContact SG-SD 3.25Å; P182-M184 PolarHBondContact O-N 3.45Å
185	D	75.5	Confident	66.1	Low	106 Å²	106	51.1 Å²	51.1	57%	0.567	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.2	172.9	-77.8	-23.5	0	0	0	109.8	P49	P49-D185 HydrophobicContact CB-CB 3.47Å; P49-D185 VanDerWaalsContact CB-CB 3.47Å
186	V	70.6	Confident	66.5	Low	3 Å²	3	52.5 Å²	52.5	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.4	177.1	-165.9	0	0	0	0	109.2	I50 V55 L151 L154 A188 V191	I50-V186 PolarHBondContact N-O 3.24Å; I50-V186 PolarHBondContact O-N 3.45Å; V55-V186 HydrophobicContact CG2-CB 4.42Å; V55-V186 HydrophobicContact CG2-CG2 4.41Å; L151-V186 HydrophobicContact CD1-CG1 4.34Å; L151-V186 HydrophobicContact CD2-CG1 3.93Å; L151-V186 HydrophobicContact CG-CG1 4.1Å; L154-V186 HydrophobicContact CD1-CG2 4.02Å; V186-A188 PolarHBondContact O-N 2.77Å; V186-V191 HydrophobicContact CB-CG2 4.11Å; V186-V191 HydrophobicContact CG1-CG2 3.7Å
187	E	70.9	Confident	66.8	Low	120 Å²	120	58.3 Å²	58.3	56%	0.561	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.5	176.6	-62.9	-178.7	170.9	0	0	110.9	H189 H190 V191	E187-H189 PolarHBondContact O-N 3.46Å; E187-H190 PolarHBondContact O-N 3.1Å; E187-H190 IonicContact OE2-CE1 3.55Å; E187-H190 PolarHBondContact OE2-CE1 3.18Å; E187-H190 IonicContact OE2-ND1 2.6Å; E187-H190 PolarHBondContact OE2-ND1 2.6Å; E187-V191 PolarHBondContact O-N 3.11Å
188	A	66.4	Low	67	Low	8 Å²	8	57.9 Å²	57.9	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-51.8	-32.7	179.9	0	0	0	0	0	113.8	I50 V186 V191 S192 Y215 L219	I50-A188 HydrophobicContact CD1-CB 4.11Å; I50-A188 HydrophobicContact CG1-CB 4.38Å; V186-A188 PolarHBondContact O-N 2.77Å; A188-V191 PolarHBondContact O-N 3.09Å; A188-S192 PolarHBondContact O-N 3.37Å; A188-Y215 HydrophobicContact CB-CE1 3.74Å; A188-L219 HydrophobicContact CB-CD1 4.18Å; A188-L219 HydrophobicContact CB-CD2 4.42Å
189	H	65.6	Low	66.5	Low	78 Å²	78	61.7 Å²	61.7	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-47.3	176.1	179.5	62.9	0	0	0	112.5	E187 S192 L193	E187-H189 PolarHBondContact O-N 3.46Å; H189-S192 PolarHBondContact O-N 2.78Å; H189-L193 WeakPolarHBondContact NE2-CD1 3.44Å; H189-L193 WeakPolarHBondContact O-CG 3.27Å; H189-L193 PolarHBondContact O-N 2.9Å; H189-L193 VanDerWaalsContact O-N 3.09Å
190	H	67.1	Low	65.8	Low	45 Å²	45	59.4 Å²	59.4	21%	0.208	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-40.1	179.3	-64.9	123.5	0	0	0	111.4	S147 L151 E187 L193 F194	S147-H190 VanDerWaalsContact CB-ND1 3.31Å; S147-H190 WeakPolarHBondContact CB-ND1 3.35Å; S147-H190 PolarHBondContact OG-CD2 2.85Å; S147-H190 PolarHBondContact OG-CE1 3.05Å; S147-H190 PolarHBondContact OG-ND1 3.28Å; S147-H190 VanDerWaalsContact OG-ND1 3.16Å; S147-H190 PolarHBondContact OG-NE2 2.74Å; S147-H190 VanDerWaalsContact OG-NE2 3.14Å; L151-H190 VanDerWaalsContact CD1-C 3.48Å; L151-H190 HydrophobicContact CD1-CB 3.91Å; L151-H190 WeakPolarHBondContact CD1-O 3.49Å; E187-H190 PolarHBondContact O-N 3.1Å; E187-H190 IonicContact OE2-CE1 3.55Å; E187-H190 PolarHBondContact OE2-CE1 3.18Å; E187-H190 IonicContact OE2-ND1 2.6Å; E187-H190 PolarHBondContact OE2-ND1 2.6Å; H190-L193 PolarHBondContact O-N 2.96Å; H190-F194 WeakPolarHBondContact O-CB 3.28Å; H190-F194 PolarHBondContact O-N 3.44Å
191	V	66.8	Low	64.5	Low	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-46.1	177.7	-178.2	0	0	0	0	111.1	I50 V55 L151 V186 E187 A188 F194 L195 L216 L219	I50-V191 HydrophobicContact CD1-CG2 4.23Å; V55-V191 HydrophobicContact CG1-CG2 4.47Å; V55-V191 HydrophobicContact CG2-CG2 4.3Å; L151-V191 HydrophobicContact CD2-CB 4.48Å; L151-V191 HydrophobicContact CD2-CG2 3.86Å; V186-V191 HydrophobicContact CB-CG2 4.11Å; V186-V191 HydrophobicContact CG1-CG2 3.7Å; E187-V191 PolarHBondContact O-N 3.11Å; A188-V191 PolarHBondContact O-N 3.09Å; V191-F194 WeakPolarHBondContact O-CB 3.4Å; V191-F194 PolarHBondContact O-N 3.42Å; V191-L195 HydrophobicContact CG1-CD1 3.7Å; V191-L195 HydrophobicContact CG1-CG 4.26Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.29Å; V191-L195 PolarHBondContact O-N 3.19Å; V191-L216 HydrophobicContact CG1-CD2 3.4Å; V191-L219 HydrophobicContact CB-CD1 4.22Å; V191-L219 HydrophobicContact CG1-CD1 4.12Å
192	S	62.9	Low	62.9	Low	1 Å²	1	63 Å²	63	1%	0.007	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-43.7	177.2	-176.1	0	0	0	0	112.7	A188 H189 F194 L195 K196 L219 P226	A188-S192 PolarHBondContact O-N 3.37Å; H189-S192 PolarHBondContact O-N 2.78Å; S192-F194 PolarHBondContact O-N 3.32Å; S192-L195 PolarHBondContact O-N 3.45Å; S192-K196 WeakPolarHBondContact O-CB 3.38Å; S192-K196 VanDerWaalsContact O-CG 3.31Å; S192-K196 WeakPolarHBondContact O-CG 2.93Å; S192-K196 PolarHBondContact O-N 3.02Å; S192-L219 PolarHBondContact OG-O 2.6Å; S192-L219 VanDerWaalsContact OG-O 3.12Å; S192-P226 WeakPolarHBondContact OG-CD 3.5Å
193	L	64.8	Low	61.2	Low	89 Å²	89	62.1 Å²	62.1	47%	0.466	32%	0.322	S	S	.	.	H	α-helix	trans	-58.6	-38.6	175.5	-76.7	176.3	0	0	0	111.7	H189 H190 K197	H189-L193 WeakPolarHBondContact NE2-CD1 3.44Å; H189-L193 WeakPolarHBondContact O-CG 3.27Å; H189-L193 PolarHBondContact O-N 2.9Å; H189-L193 VanDerWaalsContact O-N 3.09Å; H190-L193 PolarHBondContact O-N 2.96Å; L193-K197 PolarHBondContact O-N 3.01Å
194	F	65.3	Low	59.5	Low	8 Å²	8	63.9 Å²	63.9	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-68.1	-48.9	176.9	-175	-94.1	0	0	0	112.2	L59 L151 Y152 H190 V191 S192 K196 K197 L198	L59-F194 HydrophobicContact CD1-CD1 4.34Å; L59-F194 HydrophobicContact CD1-CE1 3.97Å; L59-F194 HydrophobicContact CD2-CD1 4.02Å; L59-F194 HydrophobicContact CD2-CE1 3.82Å; L151-F194 HydrophobicContact CB-CB 4.48Å; L151-F194 HydrophobicContact CB-CD1 4.39Å; L151-F194 HydrophobicContact CB-CD2 3.85Å; L151-F194 HydrophobicContact CB-CE2 4.11Å; L151-F194 HydrophobicContact CB-CG 4Å; L151-F194 HydrophobicContact CB-CZ 4.49Å; L151-F194 HydrophobicContact CD1-CB 3.75Å; L151-F194 HydrophobicContact CD1-CD2 4.49Å; L151-F194 HydrophobicContact CD1-CG 4.2Å; Y152-F194 AromaticContact CD1-CE2 3.61Å; Y152-F194 HydrophobicContact CD1-CE2 3.61Å; Y152-F194 HydrophobicContact CD1-CZ 4.02Å; Y152-F194 AromaticContact CD2-CE2 3.95Å; Y152-F194 HydrophobicContact CD2-CE2 3.95Å; Y152-F194 AromaticContact CE1-CE2 3.59Å; Y152-F194 HydrophobicContact CE1-CE2 3.59Å; Y152-F194 HydrophobicContact CE1-CZ 4.16Å; Y152-F194 HydrophobicContact CE2-CD2 4.38Å; Y152-F194 AromaticContact CE2-CE2 3.93Å; Y152-F194 HydrophobicContact CE2-CE2 3.93Å; Y152-F194 AromaticContact CG-CE2 3.79Å; Y152-F194 HydrophobicContact CG-CE2 3.79Å; Y152-F194 HydrophobicContact CG-CZ 4.44Å; Y152-F194 AromaticContact CZ-CE2 3.74Å; H190-F194 WeakPolarHBondContact O-CB 3.28Å; H190-F194 PolarHBondContact O-N 3.44Å; V191-F194 WeakPolarHBondContact O-CB 3.4Å; V191-F194 PolarHBondContact O-N 3.42Å; S192-F194 PolarHBondContact O-N 3.32Å; F194-K196 VanDerWaalsContact C-N 3.32Å; F194-K196 PolarHBondContact O-N 2.94Å; F194-K197 WeakPolarHBondContact O-CB 3.38Å; F194-K197 PolarHBondContact O-N 3.43Å; F194-K197 VanDerWaalsContact O-N 3.13Å; F194-L198 HydrophobicContact CD1-CD1 4.04Å; F194-L198 HydrophobicContact CE1-CD1 3.66Å; F194-L198 HydrophobicContact CE1-CG 4.37Å; F194-L198 HydrophobicContact CZ-CD1 4.46Å; F194-L198 PolarHBondContact O-N 3.41Å
195	L	63.9	Low	57.7	Low	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-36.6	-179.4	-67.8	168	0	0	0	112.6	F58 L59 L62 V191 S192 K197 L198 L216 L219 A220	F58-L195 HydrophobicContact CD1-CD2 4.23Å; F58-L195 HydrophobicContact CE1-CD1 4.17Å; F58-L195 HydrophobicContact CE1-CD2 3.75Å; L59-L195 HydrophobicContact CD2-CD2 3.57Å; L62-L195 HydrophobicContact CD1-CD2 4.01Å; V191-L195 HydrophobicContact CG1-CD1 3.7Å; V191-L195 HydrophobicContact CG1-CG 4.26Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.29Å; V191-L195 PolarHBondContact O-N 3.19Å; S192-L195 PolarHBondContact O-N 3.45Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.12Å; L195-L198 HydrophobicContact CD2-CD1 4.49Å; L195-L198 WeakPolarHBondContact O-CB 3.44Å; L195-L198 PolarHBondContact O-N 3.36Å; L195-L216 WeakPolarHBondContact CD1-O 3.09Å; L195-L219 HydrophobicContact CD1-CB 3.92Å; L195-A220 HydrophobicContact CB-CB 4.03Å; L195-A220 HydrophobicContact CD1-CB 4Å; L195-A220 HydrophobicContact CD2-CB 4.45Å; L195-A220 HydrophobicContact CG-CB 4.38Å
196	K	62.2	Low	56.1	Low	66 Å²	66	64.7 Å²	64.7	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-33.9	174.7	-74.1	179.7	-178.3	-164.1	0	113.2	S192 F194 L198 E199 Y224	S192-K196 WeakPolarHBondContact O-CB 3.38Å; S192-K196 VanDerWaalsContact O-CG 3.31Å; S192-K196 WeakPolarHBondContact O-CG 2.93Å; S192-K196 PolarHBondContact O-N 3.02Å; F194-K196 VanDerWaalsContact C-N 3.32Å; F194-K196 PolarHBondContact O-N 2.94Å; K196-L198 PolarHBondContact O-N 3.27Å; K196-E199 PolarHBondContact O-N 3.45Å; K196-Y224 WeakPolarHBondContact CE-O 3.43Å; K196-Y224 PolarHBondContact NZ-O 3.06Å
197	K	63.8	Low	54.6	Low	153 Å²	153	68.7 Å²	68.7	67%	0.665	36%	0.359	S	S	*	.	H	α-helix	trans	-68.5	-22.9	174.2	-74.9	-179.6	179	179.1	0	112.7	L193 F194 L195 E199	L193-K197 PolarHBondContact O-N 3.01Å; F194-K197 WeakPolarHBondContact O-CB 3.38Å; F194-K197 PolarHBondContact O-N 3.43Å; F194-K197 VanDerWaalsContact O-N 3.13Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.12Å; K197-E199 VanDerWaalsContact C-N 3.26Å
198	L	57.7	Low	53.3	Low	67 Å²	67	66.4 Å²	66.4	35%	0.351	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.5	176.9	-65.7	176.3	0	0	0	113.1	F194 L195 K196 V200	F194-L198 HydrophobicContact CD1-CD1 4.04Å; F194-L198 HydrophobicContact CE1-CD1 3.66Å; F194-L198 HydrophobicContact CE1-CG 4.37Å; F194-L198 HydrophobicContact CZ-CD1 4.46Å; F194-L198 PolarHBondContact O-N 3.41Å; L195-L198 HydrophobicContact CD2-CD1 4.49Å; L195-L198 WeakPolarHBondContact O-CB 3.44Å; L195-L198 PolarHBondContact O-N 3.36Å; K196-L198 PolarHBondContact O-N 3.27Å; L198-V200 HydrophobicContact CB-CG2 3.85Å; L198-V200 PolarHBondContact O-N 3.4Å
199	E	54.2	Low	52	Low	179 Å²	179	76.7 Å²	76.7	84%	0.836	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.7	179.9	-60.2	-175	167.9	0	0	113.4	K196 K197 G201	K196-E199 PolarHBondContact O-N 3.45Å; K197-E199 VanDerWaalsContact C-N 3.26Å; E199-G201 PolarHBondContact O-N 3.16Å
200	V	47.3	Very low	51	Low	28 Å²	28	74.1 Å²	74.1	17%	0.17	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.4	125.7	179.5	-171.9	0	0	0	0	109.1	L62 L198 A220	L62-V200 HydrophobicContact CD1-CG2 4.33Å; L62-V200 HydrophobicContact CD2-CG1 4.13Å; L198-V200 HydrophobicContact CB-CG2 3.85Å; L198-V200 PolarHBondContact O-N 3.4Å; V200-A220 HydrophobicContact CB-CB 4.18Å; V200-A220 HydrophobicContact CG1-CB 4.23Å
201	G	40.2	Very low	50.4	Low	43 Å²	43	75.6 Å²	75.6	44%	0.443	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-59.7	161.9	-177.4	0	0	0	0	0	113.6	E199 I203	E199-G201 PolarHBondContact O-N 3.16Å; G201-I203 PolarHBondContact O-N 2.62Å
202	P	35	Very low	50.1	Low	101 Å²	101	77.6 Å²	77.6	66%	0.656	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.6	129.1	-175.2	27.1	-33.7	0	0	0	111.1
203	I	36	Very low	49.8	Very low	77 Å²	77	81.3 Å²	81.3	40%	0.395	42%	0.417	S	S	.	.			trans	-121.6	120.4	167.5	-44.6	176.5	0	0	0	108	G201 F205	G201-I203 PolarHBondContact O-N 2.62Å; I203-F205 HydrophobicContact CB-CD2 4.19Å; I203-F205 HydrophobicContact CB-CE2 3.79Å; I203-F205 HydrophobicContact CG2-CD2 3.86Å; I203-F205 HydrophobicContact CG2-CE2 3.18Å; I203-F205 HydrophobicContact CG2-CZ 3.73Å
204	P	37.7	Very low	49.4	Very low	105 Å²	105	77.4 Å²	77.4	68%	0.682	40%	0.399	S	S	*	.			trans	-76.3	133	179.8	29.6	-31.8	0	0	0	110.6
205	F	38.7	Very low	49.2	Very low	101 Å²	101	77.6 Å²	77.6	44%	0.443	40%	0.399	S	S	.	.			trans	-146.7	152.2	176.8	-79.6	-67	0	0	0	113.9	I203 L210 A217	I203-F205 HydrophobicContact CB-CD2 4.19Å; I203-F205 HydrophobicContact CB-CE2 3.79Å; I203-F205 HydrophobicContact CG2-CD2 3.86Å; I203-F205 HydrophobicContact CG2-CE2 3.18Å; I203-F205 HydrophobicContact CG2-CZ 3.73Å; F205-L210 HydrophobicContact CB-CD2 3.99Å; F205-L210 HydrophobicContact CD1-CD2 4.11Å; F205-L210 HydrophobicContact CG-CD2 4.13Å; F205-A217 HydrophobicContact CD2-CB 3.86Å; F205-A217 HydrophobicContact CE2-CB 3.44Å; F205-A217 VanDerWaalsContact CE2-CB 3.44Å; F205-A217 HydrophobicContact CZ-CB 4.33Å
206	D	40.5	Very low	49	Very low	87 Å²	87	77.6 Å²	77.6	47%	0.465	40%	0.399	S	S	.	.			trans	-88.2	121.7	168.8	-179.2	-6.1	0	0	0	110.4	K208 L210	D206-K208 PolarHBondContact O-N 2.88Å; D206-K208 VanDerWaalsContact O-N 3.16Å; D206-K208 PolarHBondContact OD1-N 3.32Å; D206-L210 WeakPolarHBondContact O-CD2 3.31Å; D206-L210 VanDerWaalsContact O-CG 3.29Å; D206-L210 WeakPolarHBondContact O-CG 3.47Å
207	I	40.5	Very low	48.7	Very low	87 Å²	87	74.8 Å²	74.8	45%	0.446	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.4	-166.8	-57	176.5	0	0	0	113.2	L218	I207-L218 HydrophobicContact CD1-CD2 4.38Å; I207-L218 HydrophobicContact CG1-CD1 4.47Å; I207-L218 HydrophobicContact CG1-CD2 3.9Å; I207-L218 HydrophobicContact CG2-CD2 4.34Å
208	K	42.5	Very low	48.5	Very low	72 Å²	72	68.1 Å²	68.1	31%	0.313	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-97.7	-3.6	-158.8	-70.9	-176.7	174.6	177.7	0	117.1	D206 K317 D321	D206-K208 PolarHBondContact O-N 2.88Å; D206-K208 VanDerWaalsContact O-N 3.16Å; D206-K208 PolarHBondContact OD1-N 3.32Å; K208-K317 PolarHBondContact NZ-O 3.19Å; K208-D321 WeakPolarHBondContact CD-OD1 3.22Å; K208-D321 WeakPolarHBondContact CE-OD1 3.43Å; K208-D321 IonicContact NZ-OD1 3.09Å; K208-D321 PolarHBondContact NZ-OD1 3.01Å
209	R	39.8	Very low	48.6	Very low	224 Å²	224	65 Å²	65	85%	0.845	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-126.9	18.9	172	-73.2	-170.5	176.6	-177.3	2.5	113.1	S211	R209-S211 PolarHBondContact O-N 2.89Å
210	L	43.6	Very low	48.7	Very low	24 Å²	24	56.6 Å²	56.6	13%	0.126	31%	0.305	C	S	.	.			trans	-67.9	110.5	-178.5	-63.1	175.9	0	0	0	108.8	F205 D206 L218	F205-L210 HydrophobicContact CB-CD2 3.99Å; F205-L210 HydrophobicContact CD1-CD2 4.11Å; F205-L210 HydrophobicContact CG-CD2 4.13Å; D206-L210 WeakPolarHBondContact O-CD2 3.31Å; D206-L210 VanDerWaalsContact O-CG 3.29Å; D206-L210 WeakPolarHBondContact O-CG 3.47Å; L210-L218 HydrophobicContact CD1-CB 4Å; L210-L218 HydrophobicContact CD1-CD2 4.05Å
211	S	54.6	Low	49.1	Very low	75 Å²	75	56.1 Å²	56.1	52%	0.524	30%	0.303	S	S	.	.			trans	-47.9	163	152.1	59.9	0	0	0	0	108.9	R209 M213 G214 Y215	R209-S211 PolarHBondContact O-N 2.89Å; S211-M213 PolarHBondContact O-N 3.46Å; S211-G214 WeakPolarHBondContact O-CA 3.35Å; S211-G214 PolarHBondContact O-N 3.03Å; S211-G214 PolarHBondContact OG-N 3.45Å; S211-Y215 PolarHBondContact O-N 3.49Å
212	D	60.7	Low	49.7	Very low	43 Å²	43	57.4 Å²	57.4	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-52.4	-34.3	177.2	-64.5	-35.3	0	0	0	111.2	R48 A54 Y215 L216	R48-D212 IonicContact CZ-OD1 3.58Å; R48-D212 IonicContact NH2-OD1 2.64Å; R48-D212 PolarHBondContact NH2-OD1 3.45Å; A54-D212 HydrophobicContact CB-CB 3.56Å; D212-Y215 PolarHBondContact O-N 2.79Å; D212-L216 WeakPolarHBondContact O-CB 3.33Å; D212-L216 WeakPolarHBondContact O-CD1 3.24Å; D212-L216 WeakPolarHBondContact O-CG 3.39Å; D212-L216 PolarHBondContact O-N 3Å
213	M	57.2	Low	50.5	Low	78 Å²	78	59.6 Å²	59.6	38%	0.384	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-43.4	172.1	-61.8	-63	-91.1	0	0	113.8	H57 F58 S211 Y215 L216 A217	H57-M213 HydrophobicContact CB-CE 4.39Å; H57-M213 HydrophobicContact CB-SD 4.35Å; F58-M213 HydrophobicContact CB-CE 4.2Å; F58-M213 HydrophobicContact CB-SD 3.8Å; F58-M213 HydrophobicContact CD2-CE 4.18Å; F58-M213 HydrophobicContact CD2-SD 4.11Å; F58-M213 HydrophobicContact CG-SD 4.47Å; S211-M213 PolarHBondContact O-N 3.46Å; M213-Y215 VanDerWaalsContact C-N 3.32Å; M213-Y215 PolarHBondContact O-N 3.26Å; M213-L216 PolarHBondContact O-N 3.23Å; M213-A217 PolarHBondContact O-N 2.86Å
214	G	56.7	Low	50.9	Low	8 Å²	8	57.6 Å²	57.6	8%	0.082	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-37.6	175.6	0	0	0	0	0	112.3	S211 L216 A217 L218	S211-G214 WeakPolarHBondContact O-CA 3.35Å; S211-G214 PolarHBondContact O-N 3.03Å; S211-G214 PolarHBondContact OG-N 3.45Å; G214-L216 VanDerWaalsContact C-N 3.35Å; G214-A217 PolarHBondContact O-N 3.02Å; G214-L218 PolarHBondContact O-N 3.03Å
215	Y	59.9	Low	51.4	Low	11 Å²	11	57.2 Å²	57.2	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-70.6	-38.1	-179.1	-174.2	-111.6	0	0	0	110.2	I50 A188 S211 D212 M213 L218 L219	I50-Y215 HydrophobicContact CD1-CD1 3.63Å; I50-Y215 HydrophobicContact CD1-CE1 3.75Å; I50-Y215 HydrophobicContact CG1-CD1 4.18Å; I50-Y215 HydrophobicContact CG1-CE1 4.21Å; A188-Y215 HydrophobicContact CB-CE1 3.74Å; S211-Y215 PolarHBondContact O-N 3.49Å; D212-Y215 PolarHBondContact O-N 2.79Å; M213-Y215 VanDerWaalsContact C-N 3.32Å; M213-Y215 PolarHBondContact O-N 3.26Å; Y215-L218 WeakPolarHBondContact O-CB 3.39Å; Y215-L218 PolarHBondContact O-N 2.92Å; Y215-L219 HydrophobicContact CD1-CD1 3.81Å; Y215-L219 HydrophobicContact CD1-CG 4.38Å; Y215-L219 HydrophobicContact CE1-CD1 3.65Å; Y215-L219 HydrophobicContact CE1-CD2 4.4Å; Y215-L219 HydrophobicContact CE1-CG 4.18Å; Y215-L219 VanDerWaalsContact O-CG 3.31Å; Y215-L219 WeakPolarHBondContact O-CG 3.27Å; Y215-L219 PolarHBondContact O-N 3.16Å
216	L	59.7	Low	51.7	Low	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-40.7	171.4	-68.8	166.2	0	0	0	112.3	I50 A54 V55 F58 V191 L195 D212 M213 G214 L218 L219 A220	I50-L216 HydrophobicContact CD1-CD2 3.8Å; I50-L216 HydrophobicContact CD1-CG 4.47Å; I50-L216 HydrophobicContact CG2-CD1 4.48Å; I50-L216 HydrophobicContact CG2-CD2 4.39Å; A54-L216 WeakPolarHBondContact O-CD1 3.49Å; V55-L216 HydrophobicContact CG2-CD2 4.17Å; F58-L216 HydrophobicContact CB-CB 4.23Å; F58-L216 HydrophobicContact CB-CD1 3.51Å; F58-L216 HydrophobicContact CB-CG 4.42Å; F58-L216 HydrophobicContact CD1-CB 3.71Å; F58-L216 HydrophobicContact CD1-CD1 4.42Å; F58-L216 HydrophobicContact CD1-CG 4.49Å; F58-L216 HydrophobicContact CD2-CB 3.7Å; F58-L216 HydrophobicContact CD2-CD1 4.38Å; F58-L216 HydrophobicContact CE1-CB 3.92Å; F58-L216 HydrophobicContact CE2-CB 3.92Å; F58-L216 HydrophobicContact CG-CB 3.6Å; F58-L216 HydrophobicContact CG-CD1 3.87Å; F58-L216 HydrophobicContact CG-CG 4.29Å; F58-L216 HydrophobicContact CZ-CB 4.04Å; V191-L216 HydrophobicContact CG1-CD2 3.4Å; L195-L216 WeakPolarHBondContact CD1-O 3.09Å; D212-L216 WeakPolarHBondContact O-CB 3.33Å; D212-L216 WeakPolarHBondContact O-CD1 3.24Å; D212-L216 WeakPolarHBondContact O-CG 3.39Å; D212-L216 PolarHBondContact O-N 3Å; M213-L216 PolarHBondContact O-N 3.23Å; G214-L216 VanDerWaalsContact C-N 3.35Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 3.02Å; L216-L219 HydrophobicContact CD2-CD1 4.37Å; L216-L219 PolarHBondContact O-N 2.78Å; L216-A220 PolarHBondContact O-N 3.17Å
217	A	57.5	Low	51.9	Low	7 Å²	7	51.4 Å²	51.4	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-39.3	174.3	0	0	0	0	0	112.6	F58 F205 M213 G214 A220 S221	F58-A217 HydrophobicContact CE2-CB 4.03Å; F58-A217 HydrophobicContact CZ-CB 4.2Å; F205-A217 HydrophobicContact CD2-CB 3.86Å; F205-A217 HydrophobicContact CE2-CB 3.44Å; F205-A217 VanDerWaalsContact CE2-CB 3.44Å; F205-A217 HydrophobicContact CZ-CB 4.33Å; M213-A217 PolarHBondContact O-N 2.86Å; G214-A217 PolarHBondContact O-N 3.02Å; A217-A220 WeakPolarHBondContact O-CB 3.22Å; A217-A220 PolarHBondContact O-N 3.3Å; A217-S221 PolarHBondContact O-N 3.19Å
218	L	58	Low	51.8	Low	14 Å²	14	55.1 Å²	55.1	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-43.3	173.3	-175.5	74.8	0	0	0	111.8	I207 L210 G214 Y215 L216 A220 S221 Y224	I207-L218 HydrophobicContact CD1-CD2 4.38Å; I207-L218 HydrophobicContact CG1-CD1 4.47Å; I207-L218 HydrophobicContact CG1-CD2 3.9Å; I207-L218 HydrophobicContact CG2-CD2 4.34Å; L210-L218 HydrophobicContact CD1-CB 4Å; L210-L218 HydrophobicContact CD1-CD2 4.05Å; G214-L218 PolarHBondContact O-N 3.03Å; Y215-L218 WeakPolarHBondContact O-CB 3.39Å; Y215-L218 PolarHBondContact O-N 2.92Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 3.02Å; L218-A220 PolarHBondContact O-N 3.05Å; L218-S221 VanDerWaalsContact O-CB 3.27Å; L218-S221 WeakPolarHBondContact O-CB 3.29Å; L218-S221 PolarHBondContact O-N 3.2Å; L218-Y224 HydrophobicContact CD1-CD2 4.05Å; L218-Y224 HydrophobicContact CD1-CE2 4.45Å; L218-Y224 HydrophobicContact CD1-CG 4.49Å; L218-Y224 HydrophobicContact CD2-CD2 3.97Å; L218-Y224 HydrophobicContact CD2-CE1 4.42Å; L218-Y224 HydrophobicContact CD2-CE2 3.56Å; L218-Y224 HydrophobicContact CG-CD1 4.38Å; L218-Y224 HydrophobicContact CG-CD2 3.79Å; L218-Y224 HydrophobicContact CG-CE1 4.49Å; L218-Y224 HydrophobicContact CG-CE2 3.91Å; L218-Y224 HydrophobicContact CG-CG 4.03Å; L218-Y224 WeakPolarHBondContact O-CB 3.27Å
219	L	59.4	Low	51.6	Low	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-25.1	177	-70.3	169	0	0	0	113.1	I50 A188 V191 S192 L195 Y215 L216 S221 Y224 P226	I50-L219 HydrophobicContact CD1-CD1 3.61Å; A188-L219 HydrophobicContact CB-CD1 4.18Å; A188-L219 HydrophobicContact CB-CD2 4.42Å; V191-L219 HydrophobicContact CB-CD1 4.22Å; V191-L219 HydrophobicContact CG1-CD1 4.12Å; S192-L219 PolarHBondContact OG-O 2.6Å; S192-L219 VanDerWaalsContact OG-O 3.12Å; L195-L219 HydrophobicContact CD1-CB 3.92Å; Y215-L219 HydrophobicContact CD1-CD1 3.81Å; Y215-L219 HydrophobicContact CD1-CG 4.38Å; Y215-L219 HydrophobicContact CE1-CD1 3.65Å; Y215-L219 HydrophobicContact CE1-CD2 4.4Å; Y215-L219 HydrophobicContact CE1-CG 4.18Å; Y215-L219 VanDerWaalsContact O-CG 3.31Å; Y215-L219 WeakPolarHBondContact O-CG 3.27Å; Y215-L219 PolarHBondContact O-N 3.16Å; L216-L219 HydrophobicContact CD2-CD1 4.37Å; L216-L219 PolarHBondContact O-N 2.78Å; L219-S221 VanDerWaalsContact C-N 3.34Å; L219-Y224 HydrophobicContact CD2-CD1 4.09Å; L219-Y224 HydrophobicContact CD2-CE1 3.6Å; L219-Y224 HydrophobicContact CG-CE1 4.49Å; L219-P226 HydrophobicContact CD2-CB 4.41Å
220	A	58.1	Low	51.5	Low	3 Å²	3	47.3 Å²	47.3	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-76.2	-19	174.6	0	0	0	0	0	113.5	L195 V200 L216 A217 L218	L195-A220 HydrophobicContact CB-CB 4.03Å; L195-A220 HydrophobicContact CD1-CB 4Å; L195-A220 HydrophobicContact CD2-CB 4.45Å; L195-A220 HydrophobicContact CG-CB 4.38Å; V200-A220 HydrophobicContact CB-CB 4.18Å; V200-A220 HydrophobicContact CG1-CB 4.23Å; L216-A220 PolarHBondContact O-N 3.17Å; A217-A220 WeakPolarHBondContact O-CB 3.22Å; A217-A220 PolarHBondContact O-N 3.3Å; L218-A220 PolarHBondContact O-N 3.05Å
221	S	54.3	Low	51.5	Low	18 Å²	18	56.4 Å²	56.4	13%	0.126	31%	0.308	C	S	.	.			trans	-64.5	128	-178.8	-178	0	0	0	0	111	A217 L218 L219 D223 Y224	A217-S221 PolarHBondContact O-N 3.19Å; L218-S221 VanDerWaalsContact O-CB 3.27Å; L218-S221 WeakPolarHBondContact O-CB 3.29Å; L218-S221 PolarHBondContact O-N 3.2Å; L219-S221 VanDerWaalsContact C-N 3.34Å; S221-D223 PolarHBondContact O-N 3.29Å; S221-Y224 PolarHBondContact O-N 3.04Å
222	P	53.2	Low	51.2	Low	71 Å²	71	57 Å²	57	46%	0.461	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.4	-176.7	14.4	-23.9	0	0	0	112.7	Y224	P222-Y224 VanDerWaalsContact C-N 3.34Å
223	D	51	Low	50.7	Low	146 Å²	146	56.6 Å²	56.6	78%	0.781	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.6	-178.9	-61.5	-36.9	0	0	0	113.2	S221 T225	S221-D223 PolarHBondContact O-N 3.29Å; D223-T225 PolarHBondContact O-N 3.42Å
224	Y	44.5	Very low	50.6	Low	36 Å²	36	59.2 Å²	59.2	14%	0.141	32%	0.321	C	S	.	.			trans	-83.4	105	-178.8	-174.2	-97.1	0	0	0	110.7	K196 L218 L219 S221 P222 P226	K196-Y224 WeakPolarHBondContact CE-O 3.43Å; K196-Y224 PolarHBondContact NZ-O 3.06Å; L218-Y224 HydrophobicContact CD1-CD2 4.05Å; L218-Y224 HydrophobicContact CD1-CE2 4.45Å; L218-Y224 HydrophobicContact CD1-CG 4.49Å; L218-Y224 HydrophobicContact CD2-CD2 3.97Å; L218-Y224 HydrophobicContact CD2-CE1 4.42Å; L218-Y224 HydrophobicContact CD2-CE2 3.56Å; L218-Y224 HydrophobicContact CG-CD1 4.38Å; L218-Y224 HydrophobicContact CG-CD2 3.79Å; L218-Y224 HydrophobicContact CG-CE1 4.49Å; L218-Y224 HydrophobicContact CG-CE2 3.91Å; L218-Y224 HydrophobicContact CG-CG 4.03Å; L218-Y224 WeakPolarHBondContact O-CB 3.27Å; L219-Y224 HydrophobicContact CD2-CD1 4.09Å; L219-Y224 HydrophobicContact CD2-CE1 3.6Å; L219-Y224 HydrophobicContact CG-CE1 4.49Å; S221-Y224 PolarHBondContact O-N 3.04Å; P222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-P226 HydrophobicContact CE1-CB 4.32Å
225	T	48.6	Very low	50.7	Low	97 Å²	97	61.2 Å²	61.2	60%	0.595	33%	0.331	S	S	*	.			trans	-88.4	116	164.8	40.3	0	0	0	0	109.6	D223 V227	D223-T225 PolarHBondContact O-N 3.42Å; T225-V227 PolarHBondContact O-N 3.47Å
226	P	45.5	Very low	50.5	Low	20 Å²	20	61 Å²	61	13%	0.13	33%	0.33	C	S	.	.			trans	-55.6	130.4	166.3	25.5	-33.6	0	0	0	107.2	S192 L219 Y224 Q228	S192-P226 WeakPolarHBondContact OG-CD 3.5Å; L219-P226 HydrophobicContact CD2-CB 4.41Å; Y224-P226 HydrophobicContact CE1-CB 4.32Å; P226-Q228 PolarHBondContact O-N 3Å
227	V	44.8	Very low	50.9	Low	46 Å²	46	63 Å²	63	28%	0.279	34%	0.343	S	S	.	.			trans	-56.6	91.5	-164.3	-177.1	0	0	0	0	110.8	T225 I229	T225-V227 PolarHBondContact O-N 3.47Å; V227-I229 HydrophobicContact CG1-CB 4.39Å; V227-I229 HydrophobicContact CG1-CG1 4.11Å
228	Q	37.9	Very low	51.7	Low	165 Å²	165	66 Å²	66	77%	0.771	36%	0.359	S	S	*	.	S	Bend	trans	-74.6	110.9	131	-77.1	-159.1	-9.2	0	0	103.5	P226 S230	P226-Q228 PolarHBondContact O-N 3Å; Q228-S230 PolarHBondContact O-N 2.8Å
229	I	38.9	Very low	52.4	Low	86 Å²	86	67.3 Å²	67.3	44%	0.441	36%	0.362	S	S	.	.			trans	-39.3	102.9	-178.1	-50.9	154.1	0	0	0	107.7	E42 V227 Q231 T233	E42-I229 WeakPolarHBondContact OE1-CD1 3.47Å; E42-I229 VanDerWaalsContact OE1-CG1 3.27Å; E42-I229 WeakPolarHBondContact OE1-CG1 3.37Å; V227-I229 HydrophobicContact CG1-CB 4.39Å; V227-I229 HydrophobicContact CG1-CG1 4.11Å; I229-Q231 PolarHBondContact O-N 3.14Å; I229-T233 WeakPolarHBondContact CG2-O 3.38Å
230	S	38.2	Very low	53.4	Low	46 Å²	46	74.8 Å²	74.8	32%	0.322	39%	0.392	S	S	.	.			trans	-56.9	143.4	178.4	74.7	0	0	0	0	106.1	Q228 S232 T233	Q228-S230 PolarHBondContact O-N 2.8Å; S230-S232 PolarHBondContact O-N 3.26Å; S230-S232 PolarHBondContact OG-OG 3.24Å; S230-T233 PolarHBondContact O-N 2.59Å; S230-T233 PolarHBondContact OG-N 3.27Å; S230-T233 PolarHBondContact OG-OG1 2.91Å
231	Q	43.7	Very low	54.5	Low	215 Å²	215	74.8 Å²	74.8	100%	1.005	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-14.2	179.1	-70.5	179.7	-9.2	0	0	113.1	I229	I229-Q231 PolarHBondContact O-N 3.14Å
232	S	46.5	Very low	55.9	Low	86 Å²	86	77.1 Å²	77.1	60%	0.601	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-24.7	173.5	41.3	0	0	0	0	116.5	S230 K234	S230-S232 PolarHBondContact O-N 3.26Å; S230-S232 PolarHBondContact OG-OG 3.24Å; S232-K234 PolarHBondContact O-N 3.39Å
233	T	51.4	Low	57.3	Low	35 Å²	35	73.9 Å²	73.9	22%	0.215	39%	0.385	C	S	.	.			trans	-79.1	115.8	-177.1	-50.8	0	0	0	0	109.4	I37 I229 S230	I37-T233 HydrophobicContact CD1-CG2 3.99Å; I37-T233 HydrophobicContact CG1-CG2 3.93Å; I37-T233 HydrophobicContact CG2-CG2 4.34Å; I229-T233 WeakPolarHBondContact CG2-O 3.38Å; S230-T233 PolarHBondContact O-N 2.59Å; S230-T233 PolarHBondContact OG-N 3.27Å; S230-T233 PolarHBondContact OG-OG1 2.91Å
234	K	55.2	Low	58.7	Low	134 Å²	134	68.1 Å²	68.1	58%	0.583	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.4	-179.8	-70.4	-179.5	-178.8	-179.5	0	109.6	S35 F36 I37 S232	S35-K234 PolarHBondContact O-N 3.48Å; F36-K234 WeakPolarHBondContact CA-O 3.47Å; F36-K234 HydrophobicContact CD1-CB 3.54Å; F36-K234 WeakPolarHBondContact CD1-O 3.42Å; F36-K234 HydrophobicContact CE1-CB 3.45Å; F36-K234 VanDerWaalsContact CE1-CB 3.45Å; F36-K234 HydrophobicContact CE1-CD 3.67Å; F36-K234 HydrophobicContact CE1-CG 4.19Å; F36-K234 HydrophobicContact CG-CB 4.43Å; F36-K234 HydrophobicContact CZ-CB 4.26Å; F36-K234 HydrophobicContact CZ-CD 3.83Å; I37-K234 PolarHBondContact N-O 3.37Å; S232-K234 PolarHBondContact O-N 3.39Å
235	V	57.8	Low	60.4	Low	50 Å²	50	69.4 Å²	69.4	30%	0.303	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.9	176.2	-177.3	0	0	0	0	109.1	I37 K39 E42	I37-V235 HydrophobicContact CG1-CG2 4.35Å; I37-V235 WeakPolarHBondContact O-CA 3.36Å; K39-V235 HydrophobicContact CB-CG1 3.94Å; K39-V235 HydrophobicContact CG-CG1 4.43Å; E42-V235 HydrophobicContact CG-CG2 4.49Å; E42-V235 VanDerWaalsContact OE2-CG1 3.27Å; E42-V235 WeakPolarHBondContact OE2-CG1 3.46Å; E42-V235 WeakPolarHBondContact OE2-CG2 3.46Å
236	L	56.4	Low	62	Low	6 Å²	6	64.8 Å²	64.8	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135	170.7	-68.1	170.4	0	0	0	109.5	A19 L22 Y27 A30 L31 F36 I37 K39	A19-L236 HydrophobicContact CB-CD2 4.38Å; L22-L236 HydrophobicContact CD1-CD2 4.19Å; Y27-L236 HydrophobicContact CE2-CB 3.95Å; Y27-L236 HydrophobicContact CE2-CD1 4.33Å; Y27-L236 HydrophobicContact CE2-CD2 4.39Å; Y27-L236 HydrophobicContact CE2-CG 4.44Å; A30-L236 HydrophobicContact CB-CD1 3.77Å; L31-L236 HydrophobicContact CD2-CD1 3.76Å; L31-L236 HydrophobicContact CG-CD1 4.33Å; F36-L236 HydrophobicContact CB-CD1 3.94Å; F36-L236 HydrophobicContact CB-CG 4.36Å; F36-L236 HydrophobicContact CD1-CD1 3.92Å; F36-L236 HydrophobicContact CD1-CD2 3.94Å; F36-L236 HydrophobicContact CD1-CG 3.75Å; F36-L236 HydrophobicContact CE1-CD2 4.25Å; F36-L236 HydrophobicContact CG-CD1 4.2Å; F36-L236 HydrophobicContact CG-CG 4.46Å; I37-L236 PolarHBondContact O-N 2.92Å; K39-L236 PolarHBondContact N-O 3.47Å
237	P	68.4	Low	63.5	Low	42 Å²	42	63.9 Å²	63.9	27%	0.273	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-62.3	142	172.9	28.6	-33.3	0	0	0	109.1	A19 Y27 R239	A19-P237 VanDerWaalsContact CB-CD 3.4Å; A19-P237 HydrophobicContact CB-CG 3.7Å; Y27-P237 PolarHBondContact OH-O 3.19Å; P237-R239 PolarHBondContact O-N 3.3Å
238	D	73.7	Confident	65	Low	70 Å²	70	65.5 Å²	65.5	37%	0.374	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-63.5	130.8	177.7	-61.3	-46.4	0	0	0	110	T38 K39 A40 S312	T38-D238 VanDerWaalsContact CB-OD1 3.31Å; T38-D238 WeakPolarHBondContact CB-OD1 3.23Å; T38-D238 PolarHBondContact OG1-OD1 3.4Å; K39-D238 PolarHBondContact N-OD1 3.26Å; A40-D238 PolarHBondContact N-OD1 3.1Å; A40-D238 VanDerWaalsContact N-OD1 3.15Å; A40-D238 PolarHBondContact N-OD2 3.03Å; D238-S312 VanDerWaalsContact CA-OG 3.29Å; D238-S312 WeakPolarHBondContact CA-OG 3.22Å
239	R	73.2	Confident	66.6	Low	41 Å²	41	58.1 Å²	58.1	16%	0.155	31%	0.305	C	S	.	.			trans	-123.5	155.1	175.6	-71	-174.3	170.6	-164.6	-19.6	111.3	A19 L20 L22 Y27 P237 S312	A19-R239 PolarHBondContact O-NH2 3.37Å; L20-R239 PolarHBondContact O-NH2 2.85Å; L22-R239 PolarHBondContact O-NH1 2.97Å; Y27-R239 HydrophobicContact CE1-CB 4.13Å; Y27-R239 HydrophobicContact CE2-CB 4.39Å; Y27-R239 HydrophobicContact CE2-CG 3.91Å; Y27-R239 PolarHBondContact OH-N 3.48Å; P237-R239 PolarHBondContact O-N 3.3Å; R239-S312 PolarHBondContact N-OG 3.46Å; R239-S312 VanDerWaalsContact O-CB 3.29Å; R239-S312 WeakPolarHBondContact O-CB 3.28Å; R239-S312 PolarHBondContact O-N 3.21Å; R239-S312 PolarHBondContact O-OG 2.92Å
240	Y	81.1	Confident	68.2	Low	157 Å²	157	54.1 Å²	54.1	62%	0.616	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.1	168.6	-81.1	-86.1	0	0	0	108	L310	Y240-L310 WeakPolarHBondContact CA-O 3.13Å
241	L	79.8	Confident	69.7	Low	3 Å²	3	55 Å²	55	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.4	-177.5	-69.7	173.8	0	0	0	110.8	D24 Y27 L28 S243 V246 S309 L310 L315	D24-L241 HydrophobicContact CB-CD2 3.83Å; D24-L241 WeakPolarHBondContact OD1-CD2 3.37Å; Y27-L241 HydrophobicContact CD1-CD1 4.07Å; Y27-L241 HydrophobicContact CE1-CD1 4.48Å; L28-L241 HydrophobicContact CD1-CD1 4.28Å; L28-L241 HydrophobicContact CD2-CD1 3.43Å; L28-L241 VanDerWaalsContact CD2-CD1 3.43Å; L28-L241 HydrophobicContact CG-CD1 3.75Å; L241-S243 PolarHBondContact O-N 2.95Å; L241-V246 HydrophobicContact CB-CG2 3.74Å; L241-S309 CarbonylContact O-C 3.44Å; L241-S309 WeakPolarHBondContact O-CA 3.48Å; L241-L310 PolarHBondContact N-O 3.25Å; L241-L310 PolarHBondContact O-N 2.89Å; L241-L315 HydrophobicContact CB-CD1 4.03Å; L241-L315 HydrophobicContact CD1-CD1 3.76Å; L241-L315 HydrophobicContact CG-CD1 4.31Å
242	P	84.6	Confident	70.7	Confident	68 Å²	68	50.9 Å²	50.9	44%	0.442	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	129.3	176.3	-21.8	32.5	0	0	0	111.3	A244 F245 V246	P242-A244 VanDerWaalsContact C-N 3.25Å; P242-A244 PolarHBondContact O-N 3.02Å; P242-F245 HydrophobicContact CB-CB 4.31Å; P242-F245 WeakPolarHBondContact O-CB 3.48Å; P242-F245 PolarHBondContact O-N 3.47Å; P242-V246 WeakPolarHBondContact O-CG2 3.34Å; P242-V246 PolarHBondContact O-N 3.31Å
243	S	83.1	Confident	71.4	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-35.9	178.9	43.9	0	0	0	0	113.4	L241 F245 V246 S247 R308	L241-S243 PolarHBondContact O-N 2.95Å; S243-F245 VanDerWaalsContact C-N 3.33Å; S243-F245 PolarHBondContact O-N 3.05Å; S243-V246 PolarHBondContact O-N 3.22Å; S243-S247 WeakPolarHBondContact O-CB 3.48Å; S243-S247 PolarHBondContact O-N 2.99Å; S243-R308 WeakPolarHBondContact CB-O 3.41Å; S243-R308 PolarHBondContact N-O 2.69Å; S243-R308 VanDerWaalsContact N-O 3.12Å; S243-R308 PolarHBondContact OG-N 2.92Å; S243-R308 PolarHBondContact OG-O 2.94Å
244	A	80	Confident	71.4	Confident	25 Å²	25	57.7 Å²	57.7	21%	0.207	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-43.5	175.4	0	0	0	0	0	112	P242 V248 Q287	P242-A244 VanDerWaalsContact C-N 3.25Å; P242-A244 PolarHBondContact O-N 3.02Å; A244-V248 WeakPolarHBondContact O-CG2 3.35Å; A244-V248 PolarHBondContact O-N 3.46Å; A244-Q287 HydrophobicContact CB-CG 4.12Å; A244-Q287 PolarHBondContact O-NE2 3.29Å
245	F	80.3	Confident	70.9	Confident	63 Å²	63	53.9 Å²	53.9	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-47.6	176.4	174.5	-98.8	0	0	0	111.4	D24 E25 L28 P242 S243 S247 V248 Y249	D24-F245 HydrophobicContact CB-CD1 3.8Å; D24-F245 HydrophobicContact CB-CE1 3.29Å; D24-F245 HydrophobicContact CB-CE2 4.2Å; D24-F245 HydrophobicContact CB-CG 4.44Å; D24-F245 HydrophobicContact CB-CZ 3.54Å; E25-F245 HydrophobicContact CB-CZ 4.02Å; L28-F245 HydrophobicContact CD1-CD1 4.14Å; L28-F245 HydrophobicContact CD1-CE1 3.46Å; L28-F245 VanDerWaalsContact CD1-CE1 3.46Å; L28-F245 HydrophobicContact CD1-CZ 4.33Å; L28-F245 HydrophobicContact CG-CE1 4.32Å; P242-F245 HydrophobicContact CB-CB 4.31Å; P242-F245 WeakPolarHBondContact O-CB 3.48Å; P242-F245 PolarHBondContact O-N 3.47Å; S243-F245 VanDerWaalsContact C-N 3.33Å; S243-F245 PolarHBondContact O-N 3.05Å; F245-S247 VanDerWaalsContact C-N 3.32Å; F245-S247 PolarHBondContact O-N 3.5Å; F245-V248 PolarHBondContact O-N 3.5Å; F245-Y249 PolarHBondContact O-N 3Å
246	V	80.6	Confident	70.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-43.6	177.2	171.7	0	0	0	0	111.2	L241 P242 S243 V248 Y249 L250 L277 L310 L315	L241-V246 HydrophobicContact CB-CG2 3.74Å; P242-V246 WeakPolarHBondContact O-CG2 3.34Å; P242-V246 PolarHBondContact O-N 3.31Å; S243-V246 PolarHBondContact O-N 3.22Å; V246-V248 PolarHBondContact O-N 3.02Å; V246-Y249 PolarHBondContact O-N 3.12Å; V246-Y249 VanDerWaalsContact O-N 3.16Å; V246-L250 HydrophobicContact CG1-CD1 3.5Å; V246-L250 HydrophobicContact CG1-CG 3.84Å; V246-L250 WeakPolarHBondContact O-CB 3.44Å; V246-L250 WeakPolarHBondContact O-CG 3.17Å; V246-L250 PolarHBondContact O-N 3.29Å; V246-L277 HydrophobicContact CG1-CD1 4.35Å; V246-L310 HydrophobicContact CB-CD1 4.1Å; V246-L310 HydrophobicContact CG1-CD1 3.84Å; V246-L310 HydrophobicContact CG2-CD1 4.29Å; V246-L315 HydrophobicContact CB-CD2 4.47Å; V246-L315 HydrophobicContact CG1-CD2 3.5Å; V246-L315 HydrophobicContact CG2-CD1 3.8Å; V246-L315 HydrophobicContact CG2-CD2 4.12Å
247	S	78.7	Confident	69.7	Low	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-48.4	177.5	171.7	0	0	0	0	111.5	S243 F245 Y249 K251 Q287	S243-S247 WeakPolarHBondContact O-CB 3.48Å; S243-S247 PolarHBondContact O-N 2.99Å; F245-S247 VanDerWaalsContact C-N 3.32Å; F245-S247 PolarHBondContact O-N 3.5Å; S247-Y249 VanDerWaalsContact C-N 3.34Å; S247-Y249 PolarHBondContact O-N 3.3Å; S247-K251 VanDerWaalsContact O-CB 3.32Å; S247-K251 WeakPolarHBondContact O-CB 3.38Å; S247-K251 WeakPolarHBondContact O-CG 3.43Å; S247-K251 PolarHBondContact O-N 3.14Å; S247-Q287 VanDerWaalsContact CB-NE2 3.35Å; S247-Q287 PolarHBondContact OG-NE2 2.83Å; S247-Q287 PolarHBondContact OG-OE1 2.99Å
248	V	75.2	Confident	68.2	Low	81 Å²	81	60.1 Å²	60.1	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-44.3	176	175.8	0	0	0	0	111	A244 F245 V246	A244-V248 WeakPolarHBondContact O-CG2 3.35Å; A244-V248 PolarHBondContact O-N 3.46Å; F245-V248 PolarHBondContact O-N 3.5Å; V246-V248 PolarHBondContact O-N 3.02Å
249	Y	72.1	Confident	66.9	Low	10 Å²	10	64.8 Å²	64.8	4%	0.039	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-49.7	-179.5	-174.4	-90.7	0	0	0	112	E25 L28 N29 F245 V246 S247 K251 K252 F253 L319	E25-Y249 HydrophobicContact CG-CD2 4.33Å; E25-Y249 HydrophobicContact CG-CE2 4.09Å; L28-Y249 HydrophobicContact CB-CD1 4.13Å; L28-Y249 HydrophobicContact CB-CD2 4.4Å; L28-Y249 HydrophobicContact CB-CE1 3.68Å; L28-Y249 HydrophobicContact CB-CE2 4.02Å; L28-Y249 HydrophobicContact CB-CG 4.46Å; L28-Y249 HydrophobicContact CD1-CD1 3.5Å; L28-Y249 VanDerWaalsContact CD1-CD1 3.5Å; L28-Y249 HydrophobicContact CD1-CD2 3.92Å; L28-Y249 HydrophobicContact CD1-CE1 3.97Å; L28-Y249 HydrophobicContact CD1-CE2 4.38Å; L28-Y249 HydrophobicContact CD1-CG 3.46Å; L28-Y249 VanDerWaalsContact CD1-CG 3.46Å; L28-Y249 HydrophobicContact CG-CD1 4.37Å; L28-Y249 HydrophobicContact CG-CE1 4.39Å; N29-Y249 PolarHBondContact OD1-OH 2.99Å; F245-Y249 PolarHBondContact O-N 3Å; V246-Y249 PolarHBondContact O-N 3.12Å; V246-Y249 VanDerWaalsContact O-N 3.16Å; S247-Y249 VanDerWaalsContact C-N 3.34Å; S247-Y249 PolarHBondContact O-N 3.3Å; Y249-K251 PolarHBondContact O-N 2.84Å; Y249-K252 VanDerWaalsContact O-CB 3.27Å; Y249-K252 WeakPolarHBondContact O-CB 3.5Å; Y249-K252 PolarHBondContact O-N 3.4Å; Y249-K252 VanDerWaalsContact O-N 3.14Å; Y249-F253 HydrophobicContact CD1-CD2 4.41Å; Y249-F253 AromaticContact CD1-CE2 3.64Å; Y249-F253 HydrophobicContact CD1-CE2 3.64Å; Y249-F253 HydrophobicContact CE1-CD2 4.32Å; Y249-F253 AromaticContact CE1-CE2 3.24Å; Y249-F253 HydrophobicContact CE1-CE2 3.24Å; Y249-F253 AromaticContact CE1-CZ 3.7Å; Y249-F253 HydrophobicContact CE1-CZ 3.7Å; Y249-F253 HydrophobicContact CE2-CE2 4.47Å; Y249-F253 HydrophobicContact CG-CE2 4.42Å; Y249-F253 AromaticContact CZ-CE2 3.69Å; Y249-F253 AromaticContact CZ-CZ 3.83Å; Y249-F253 VanDerWaalsContact O-CD2 3.31Å; Y249-F253 WeakPolarHBondContact O-CD2 3.41Å; Y249-L319 HydrophobicContact CE1-CD2 4.04Å
250	L	71.8	Confident	65.2	Low	2 Å²	2	68.5 Å²	68.5	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-38.4	-179.3	-69.9	-179.2	0	0	0	112.5	V246 K252 F253 A274 T278 L318 L319 M322	V246-L250 HydrophobicContact CG1-CD1 3.5Å; V246-L250 HydrophobicContact CG1-CG 3.84Å; V246-L250 WeakPolarHBondContact O-CB 3.44Å; V246-L250 WeakPolarHBondContact O-CG 3.17Å; V246-L250 PolarHBondContact O-N 3.29Å; L250-K252 PolarHBondContact O-N 2.62Å; L250-F253 WeakPolarHBondContact O-CB 3.47Å; L250-F253 PolarHBondContact O-N 3.14Å; L250-A274 HydrophobicContact CD1-CB 4.46Å; L250-T278 HydrophobicContact CB-CG2 4.24Å; L250-T278 HydrophobicContact CD1-CG2 4.1Å; L250-L318 HydrophobicContact CD1-CD2 3.76Å; L250-L318 HydrophobicContact CD2-CD2 3.56Å; L250-L318 HydrophobicContact CG-CD2 4.33Å; L250-L319 HydrophobicContact CD2-CD2 3.66Å; L250-L319 HydrophobicContact CD2-CG 4.46Å; L250-M322 HydrophobicContact CD2-SD 4.01Å
251	K	69.5	Low	63.5	Low	63 Å²	63	70.7 Å²	70.7	27%	0.274	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-22.7	176	-75.1	175.2	-178	-179.2	0	113	S247 Y249 F253 K254 L277 Y282	S247-K251 VanDerWaalsContact O-CB 3.32Å; S247-K251 WeakPolarHBondContact O-CB 3.38Å; S247-K251 WeakPolarHBondContact O-CG 3.43Å; S247-K251 PolarHBondContact O-N 3.14Å; Y249-K251 PolarHBondContact O-N 2.84Å; K251-F253 PolarHBondContact O-N 3.27Å; K251-K254 PolarHBondContact O-N 3.18Å; K251-L277 VanDerWaalsContact CE-O 3.27Å; K251-L277 WeakPolarHBondContact CE-O 3.26Å; K251-Y282 WeakPolarHBondContact CE-O 3.18Å; K251-Y282 PolarHBondContact NZ-O 3.48Å
252	K	65.5	Low	62.1	Low	130 Å²	130	77.5 Å²	77.5	57%	0.565	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.1	171.1	-65.9	178.5	179.3	178.9	0	112.3	E25 Y249 L250	E25-K252 IonicContact OE1-NZ 3.51Å; E25-K252 PolarHBondContact OE1-NZ 3.21Å; E25-K252 VanDerWaalsContact OE1-NZ 3.09Å; Y249-K252 VanDerWaalsContact O-CB 3.27Å; Y249-K252 WeakPolarHBondContact O-CB 3.5Å; Y249-K252 PolarHBondContact O-N 3.4Å; Y249-K252 VanDerWaalsContact O-N 3.14Å; L250-K252 PolarHBondContact O-N 2.62Å
253	F	60.1	Low	61	Low	76 Å²	76	75.5 Å²	75.5	33%	0.333	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.9	-177.1	-68.1	-92.2	0	0	0	113.5	Y249 L250 K251 I255 M322	Y249-F253 HydrophobicContact CD1-CD2 4.41Å; Y249-F253 AromaticContact CD1-CE2 3.64Å; Y249-F253 HydrophobicContact CD1-CE2 3.64Å; Y249-F253 HydrophobicContact CE1-CD2 4.32Å; Y249-F253 AromaticContact CE1-CE2 3.24Å; Y249-F253 HydrophobicContact CE1-CE2 3.24Å; Y249-F253 AromaticContact CE1-CZ 3.7Å; Y249-F253 HydrophobicContact CE1-CZ 3.7Å; Y249-F253 HydrophobicContact CE2-CE2 4.47Å; Y249-F253 HydrophobicContact CG-CE2 4.42Å; Y249-F253 AromaticContact CZ-CE2 3.69Å; Y249-F253 AromaticContact CZ-CZ 3.83Å; Y249-F253 VanDerWaalsContact O-CD2 3.31Å; Y249-F253 WeakPolarHBondContact O-CD2 3.41Å; L250-F253 WeakPolarHBondContact O-CB 3.47Å; L250-F253 PolarHBondContact O-N 3.14Å; K251-F253 PolarHBondContact O-N 3.27Å; F253-I255 VanDerWaalsContact C-N 3.25Å; F253-I255 HydrophobicContact CB-CG1 4.42Å; F253-I255 VanDerWaalsContact O-CG1 3.29Å; F253-I255 WeakPolarHBondContact O-CG1 2.99Å; F253-I255 PolarHBondContact O-N 3.09Å; F253-M322 HydrophobicContact CB-CE 3.79Å
254	K	52.3	Low	60.1	Low	187 Å²	187	79.8 Å²	79.8	81%	0.813	41%	0.411	S	S	*	.			trans	51.4	34.1	176.9	-62.3	-174.2	176.8	-179.3	0	115.2	K251	K251-K254 PolarHBondContact O-N 3.18Å
255	I	45.3	Very low	59.3	Low	54 Å²	54	78.6 Å²	78.6	28%	0.277	40%	0.402	S	S	.	.			trans	-106.5	115.3	178.1	-48.9	-178.4	0	0	0	109.1	F253 M257 M322	F253-I255 VanDerWaalsContact C-N 3.25Å; F253-I255 HydrophobicContact CB-CG1 4.42Å; F253-I255 VanDerWaalsContact O-CG1 3.29Å; F253-I255 WeakPolarHBondContact O-CG1 2.99Å; F253-I255 PolarHBondContact O-N 3.09Å; I255-M257 PolarHBondContact O-N 3.39Å; I255-M322 HydrophobicContact CB-CE 3.67Å; I255-M322 HydrophobicContact CD1-CB 4Å; I255-M322 HydrophobicContact CD1-CE 4.11Å; I255-M322 HydrophobicContact CD1-CG 4.37Å; I255-M322 HydrophobicContact CG1-CE 4.02Å
256	P	44.7	Very low	58.7	Low	93 Å²	93	79.1 Å²	79.1	60%	0.604	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-75.5	119.9	174.6	27.7	-29.4	0	0	0	110.4	L279	P256-L279 HydrophobicContact CB-CD2 4.25Å
257	M	43.5	Very low	58.4	Low	40 Å²	40	84.4 Å²	84.4	20%	0.197	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-91.2	120.2	165.4	-74.5	-130.7	-174.2	0	0	110.3	I255 K259 A275 L318 D321 M322	I255-M257 PolarHBondContact O-N 3.39Å; M257-K259 PolarHBondContact O-N 2.95Å; M257-A275 HydrophobicContact CB-CB 4.18Å; M257-A275 HydrophobicContact SD-CB 4.41Å; M257-L318 HydrophobicContact CE-CG 4.36Å; M257-D321 HydrophobicContact CE-CB 4.02Å; M257-M322 HydrophobicContact CE-CG 3.72Å
258	A	37	Very low	58.3	Low	96 Å²	96	85.8 Å²	85.8	79%	0.793	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-76.8	119.3	177.9	0	0	0	0	0	111.1
259	K	46.1	Very low	58.4	Low	168 Å²	168	85.7 Å²	85.7	73%	0.73	45%	0.453	S	S	*	.			trans	-167.8	121.2	146.4	-105.4	165.5	-170.4	-176.6	0	110.4	M257 R261	M257-K259 PolarHBondContact O-N 2.95Å; K259-R261 PolarHBondContact O-N 2.94Å
260	S	38.4	Very low	58.6	Low	120 Å²	120	87.2 Å²	87.2	84%	0.839	46%	0.461	S	S	*	.			trans	-92.3	93.8	180	57.7	0	0	0	0	110.8
261	R	45.8	Very low	58.7	Low	202 Å²	202	89.9 Å²	89.9	76%	0.762	47%	0.472	S	S	*	.			trans	-130.1	131.8	153.2	-88.9	-170.8	175.7	-176.1	-0.3	109.3	K259 T263	K259-R261 PolarHBondContact O-N 2.94Å; R261-T263 HydrophobicContact CB-CG2 3.93Å; R261-T263 PolarHBondContact O-N 3.39Å
262	L	49.5	Very low	59	Low	147 Å²	147	89.4 Å²	89.4	77%	0.77	47%	0.472	S	S	*	.			trans	-74.6	106	172.2	-70.2	162.7	0	0	0	107.5
263	T	62.2	Low	59.7	Low	26 Å²	26	83.2 Å²	83.2	16%	0.16	45%	0.445	C	S	.	.			trans	-143	156.2	174.2	109.4	0	0	0	0	109.8	R261 G265 D267 L268	R261-T263 HydrophobicContact CB-CG2 3.93Å; R261-T263 PolarHBondContact O-N 3.39Å; T263-G265 PolarHBondContact O-N 3.1Å; T263-G265 WeakPolarHBondContact OG1-CA 3.46Å; T263-G265 PolarHBondContact OG1-N 2.9Å; T263-D267 WeakPolarHBondContact CB-OD1 3.38Å; T263-D267 PolarHBondContact OG1-OD1 2.88Å; T263-L268 HydrophobicContact CG2-CD2 3.91Å; T263-L268 HydrophobicContact CG2-CG 4.44Å; T263-L268 WeakPolarHBondContact OG1-CG 3.41Å
264	N	62.9	Low	60.6	Low	92 Å²	92	79.6 Å²	79.6	49%	0.492	43%	0.429	S	S	.	.			trans	-80.6	2.8	172.6	62.9	-12.7	0	0	0	112.6	A266	N264-A266 VanDerWaalsContact C-N 3.33Å; N264-A266 PolarHBondContact O-N 2.85Å; N264-A266 PolarHBondContact OD1-N 3.46Å
265	G	63.7	Low	61.6	Low	1 Å²	1	71.2 Å²	71.2	1%	0.01	40%	0.395	C	S	.	.	S	Bend	trans	88.3	-14.7	177.7	0	0	0	0	0	115.1	T263 D267 L268 R308	T263-G265 PolarHBondContact O-N 3.1Å; T263-G265 WeakPolarHBondContact OG1-CA 3.46Å; T263-G265 PolarHBondContact OG1-N 2.9Å; G265-D267 VanDerWaalsContact C-N 3.27Å; G265-D267 PolarHBondContact O-N 3.14Å; G265-L268 PolarHBondContact O-N 3.48Å; G265-R308 PolarHBondContact O-NH1 3.38Å
266	A	68.4	Low	63.1	Low	73 Å²	73	69.3 Å²	69.3	60%	0.603	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.7	-176.1	0	0	0	0	0	112.9	N264	N264-A266 VanDerWaalsContact C-N 3.33Å; N264-A266 PolarHBondContact O-N 2.85Å; N264-A266 PolarHBondContact OD1-N 3.46Å
267	D	74.2	Confident	64.8	Low	112 Å²	112	64.9 Å²	64.9	60%	0.599	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.8	179.2	63.8	-33.5	0	0	0	113.8	T263 G265	T263-D267 WeakPolarHBondContact CB-OD1 3.38Å; T263-D267 PolarHBondContact OG1-OD1 2.88Å; G265-D267 VanDerWaalsContact C-N 3.27Å; G265-D267 PolarHBondContact O-N 3.14Å
268	L	76.4	Confident	66.1	Low	29 Å²	29	63.5 Å²	63.5	15%	0.152	35%	0.35	C	S	.	.	S	Bend	trans	-84.9	146.3	-174.2	-63.3	-179.1	0	0	0	112.1	T263 G265 D272 L276 R308	T263-L268 HydrophobicContact CG2-CD2 3.91Å; T263-L268 HydrophobicContact CG2-CG 4.44Å; T263-L268 WeakPolarHBondContact OG1-CG 3.41Å; G265-L268 PolarHBondContact O-N 3.48Å; L268-D272 HydrophobicContact CB-CB 4.2Å; L268-D272 HydrophobicContact CD2-CB 4.19Å; L268-L276 HydrophobicContact CD1-CD1 3.32Å; L268-L276 HydrophobicContact CD1-CG 4.31Å; L268-R308 VanDerWaalsContact O-CZ 3.29Å; L268-R308 PolarHBondContact O-NH1 3.48Å; L268-R308 PolarHBondContact O-NH2 3.27Å
269	T	76.6	Confident	67.7	Low	79 Å²	79	60.5 Å²	60.5	49%	0.485	32%	0.321	S	S	.	.			trans	-63.6	155.3	164.7	72.6	0	0	0	0	110.1	Y271 D272 Y273 R308	T269-Y271 PolarHBondContact O-N 3.27Å; T269-Y271 VanDerWaalsContact O-N 3.16Å; T269-D272 PolarHBondContact O-N 3.47Å; T269-D272 VanDerWaalsContact O-N 3.14Å; T269-D272 VanDerWaalsContact OG1-CG 3.22Å; T269-D272 PolarHBondContact OG1-N 3.29Å; T269-D272 VanDerWaalsContact OG1-N 3.14Å; T269-D272 PolarHBondContact OG1-OD2 3.41Å; T269-Y273 WeakPolarHBondContact O-CB 3.31Å; T269-Y273 PolarHBondContact O-N 2.78Å; T269-R308 PolarHBondContact O-NH2 2.99Å
270	D	76.8	Confident	68.8	Low	41 Å²	41	57 Å²	57	22%	0.219	32%	0.315	C	S	.	.	H	α-helix	trans	-53	-37	176.4	-81.7	2.7	0	0	0	112.2	A274 R308 L310 S311 A314	D270-A274 WeakPolarHBondContact O-CB 3.49Å; D270-A274 PolarHBondContact O-N 3.4Å; D270-R308 VanDerWaalsContact CA-NH2 3.35Å; D270-R308 IonicContact OD1-CZ 3.76Å; D270-R308 IonicContact OD1-NE 2.69Å; D270-R308 IonicContact OD1-NH2 2.85Å; D270-R308 PolarHBondContact OD1-NH2 3.46Å; D270-L310 HydrophobicContact CB-CD2 4.18Å; D270-S311 WeakPolarHBondContact OD2-CB 3.4Å; D270-S311 PolarHBondContact OD2-N 3.19Å; D270-S311 PolarHBondContact OD2-OG 2.68Å; D270-A314 HydrophobicContact CB-CB 3.32Å
271	Y	73.5	Confident	70.6	Confident	58 Å²	58	55.1 Å²	55.1	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-52	177	-178.2	-89.2	0	0	0	111.8	T269 Y273 A274 A275 K317 L318 D321	T269-Y271 PolarHBondContact O-N 3.27Å; T269-Y271 VanDerWaalsContact O-N 3.16Å; Y271-Y273 VanDerWaalsContact C-N 3.3Å; Y271-Y273 PolarHBondContact O-N 3.07Å; Y271-A274 PolarHBondContact O-N 3.27Å; Y271-A275 WeakPolarHBondContact O-CB 3.2Å; Y271-A275 PolarHBondContact O-N 2.94Å; Y271-K317 HydrophobicContact CD2-CB 4.26Å; Y271-K317 HydrophobicContact CD2-CD 3.9Å; Y271-K317 HydrophobicContact CD2-CG 4.01Å; Y271-K317 HydrophobicContact CE2-CB 4.43Å; Y271-K317 HydrophobicContact CE2-CD 4.1Å; Y271-K317 HydrophobicContact CE2-CG 3.89Å; Y271-L318 HydrophobicContact CD2-CB 4.15Å; Y271-L318 HydrophobicContact CE2-CB 4.02Å; Y271-L318 HydrophobicContact CE2-CD1 4.47Å; Y271-D321 WeakPolarHBondContact CE2-OD2 3.44Å; Y271-D321 VanDerWaalsContact CZ-OD2 3.29Å; Y271-D321 PolarHBondContact OH-OD2 2.9Å
272	D	75.6	Confident	72.2	Confident	53 Å²	53	46.8 Å²	46.8	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-38.1	-178.4	-63.6	-48.6	0	0	0	111.5	L268 T269 A275 L276	L268-D272 HydrophobicContact CB-CB 4.2Å; L268-D272 HydrophobicContact CD2-CB 4.19Å; T269-D272 PolarHBondContact O-N 3.47Å; T269-D272 VanDerWaalsContact O-N 3.14Å; T269-D272 VanDerWaalsContact OG1-CG 3.22Å; T269-D272 PolarHBondContact OG1-N 3.29Å; T269-D272 VanDerWaalsContact OG1-N 3.14Å; T269-D272 PolarHBondContact OG1-OD2 3.41Å; D272-A275 PolarHBondContact O-N 2.92Å; D272-L276 WeakPolarHBondContact O-CG 3.44Å; D272-L276 PolarHBondContact O-N 3.5Å
273	Y	81.4	Confident	73.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-47.8	175.3	-175.1	-73.2	0	0	0	111.4	T269 Y271 A275 L276 L277 L305 D306 R308 L310	T269-Y273 WeakPolarHBondContact O-CB 3.31Å; T269-Y273 PolarHBondContact O-N 2.78Å; Y271-Y273 VanDerWaalsContact C-N 3.3Å; Y271-Y273 PolarHBondContact O-N 3.07Å; Y273-A275 VanDerWaalsContact C-N 3.26Å; Y273-A275 PolarHBondContact O-N 3.25Å; Y273-L276 PolarHBondContact O-N 3.44Å; Y273-L277 HydrophobicContact CD1-CD1 4.06Å; Y273-L277 HydrophobicContact CD1-CG 4.12Å; Y273-L277 HydrophobicContact CE1-CD1 3.78Å; Y273-L277 HydrophobicContact CE1-CD2 4.06Å; Y273-L277 HydrophobicContact CE1-CG 3.93Å; Y273-L277 WeakPolarHBondContact O-CG 3.49Å; Y273-L277 PolarHBondContact O-N 2.71Å; Y273-L277 VanDerWaalsContact O-N 3.09Å; Y273-L305 HydrophobicContact CD2-CD1 4.45Å; Y273-L305 HydrophobicContact CE1-CD1 4.4Å; Y273-L305 HydrophobicContact CE2-CB 3.85Å; Y273-L305 HydrophobicContact CE2-CD1 4.13Å; Y273-L305 HydrophobicContact CE2-CG 4.45Å; Y273-L305 WeakPolarHBondContact OH-CB 3.33Å; Y273-D306 PolarHBondContact OH-O 3.21Å; Y273-R308 HydrophobicContact CD2-CG 4.41Å; Y273-R308 VanDerWaalsContact CD2-NE 3.31Å; Y273-R308 HydrophobicContact CE1-CG 4.24Å; Y273-R308 HydrophobicContact CE2-CG 4.06Å; Y273-L310 HydrophobicContact CD1-CD1 4.15Å; Y273-L310 HydrophobicContact CD1-CD2 3.7Å; Y273-L310 HydrophobicContact CD1-CG 4.37Å; Y273-L310 HydrophobicContact CE1-CD1 4.43Å; Y273-L310 HydrophobicContact CE1-CD2 4.37Å; Y273-L310 HydrophobicContact CG-CD2 4.28Å
274	A	78.3	Confident	75	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-36.3	176.6	0	0	0	0	0	111.6	L250 D270 Y271 L277 T278 L310 L315 L318	L250-A274 HydrophobicContact CD1-CB 4.46Å; D270-A274 WeakPolarHBondContact O-CB 3.49Å; D270-A274 PolarHBondContact O-N 3.4Å; Y271-A274 PolarHBondContact O-N 3.27Å; A274-L277 WeakPolarHBondContact O-CB 3.39Å; A274-L277 PolarHBondContact O-N 3.44Å; A274-T278 PolarHBondContact O-N 2.98Å; A274-L310 HydrophobicContact CB-CD1 4.05Å; A274-L315 HydrophobicContact CB-CD2 4.12Å; A274-L318 HydrophobicContact CB-CD1 3.82Å
275	A	73.5	Confident	76.1	Confident	12 Å²	12	40.9 Å²	40.9	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-43.4	174	0	0	0	0	0	111.6	M257 Y271 D272 Y273 L277 T278 L318	M257-A275 HydrophobicContact CB-CB 4.18Å; M257-A275 HydrophobicContact SD-CB 4.41Å; Y271-A275 WeakPolarHBondContact O-CB 3.2Å; Y271-A275 PolarHBondContact O-N 2.94Å; D272-A275 PolarHBondContact O-N 2.92Å; Y273-A275 VanDerWaalsContact C-N 3.26Å; Y273-A275 PolarHBondContact O-N 3.25Å; A275-L277 VanDerWaalsContact C-N 3.29Å; A275-L277 PolarHBondContact O-N 3.35Å; A275-T278 WeakPolarHBondContact O-CB 3.44Å; A275-T278 PolarHBondContact O-N 3.07Å; A275-T278 VanDerWaalsContact O-N 3.11Å; A275-T278 PolarHBondContact O-OG1 3.42Å; A275-L318 HydrophobicContact CB-CD1 3.88Å; A275-L318 VanDerWaalsContact N-CD1 3.33Å
276	L	76.6	Confident	77.2	Confident	13 Å²	13	43.7 Å²	43.7	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-36	173.8	-70.3	-177.6	0	0	0	112.5	L268 D272 Y273 T278 L279 Y282 L305	L268-L276 HydrophobicContact CD1-CD1 3.32Å; L268-L276 HydrophobicContact CD1-CG 4.31Å; D272-L276 WeakPolarHBondContact O-CG 3.44Å; D272-L276 PolarHBondContact O-N 3.5Å; Y273-L276 PolarHBondContact O-N 3.44Å; L276-T278 PolarHBondContact O-N 3.39Å; L276-L279 HydrophobicContact CD2-CD1 3.94Å; L276-L279 VanDerWaalsContact O-CB 3.29Å; L276-L279 WeakPolarHBondContact O-CB 3.35Å; L276-L279 PolarHBondContact O-N 3.41Å; L276-Y282 HydrophobicContact CB-CD1 4.14Å; L276-Y282 HydrophobicContact CB-CE1 4.43Å; L276-Y282 HydrophobicContact CB-CG 4.26Å; L276-Y282 HydrophobicContact CD1-CD1 4.29Å; L276-Y282 HydrophobicContact CD1-CE1 3.88Å; L276-Y282 HydrophobicContact CD2-CE1 4.24Å; L276-Y282 HydrophobicContact CD2-CE2 4.17Å; L276-Y282 HydrophobicContact CG-CE1 4.43Å; L276-Y282 WeakPolarHBondContact O-CB 3.3Å; L276-L305 HydrophobicContact CB-CD1 4.12Å
277	L	79.7	Confident	78	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-20	176.4	-65.3	-179.5	0	0	0	114	V246 K251 Y273 A274 A275 L279 T284 L305 L310	V246-L277 HydrophobicContact CG1-CD1 4.35Å; K251-L277 VanDerWaalsContact CE-O 3.27Å; K251-L277 WeakPolarHBondContact CE-O 3.26Å; Y273-L277 HydrophobicContact CD1-CD1 4.06Å; Y273-L277 HydrophobicContact CD1-CG 4.12Å; Y273-L277 HydrophobicContact CE1-CD1 3.78Å; Y273-L277 HydrophobicContact CE1-CD2 4.06Å; Y273-L277 HydrophobicContact CE1-CG 3.93Å; Y273-L277 WeakPolarHBondContact O-CG 3.49Å; Y273-L277 PolarHBondContact O-N 2.71Å; Y273-L277 VanDerWaalsContact O-N 3.09Å; A274-L277 WeakPolarHBondContact O-CB 3.39Å; A274-L277 PolarHBondContact O-N 3.44Å; A275-L277 VanDerWaalsContact C-N 3.29Å; A275-L277 PolarHBondContact O-N 3.35Å; L277-L279 PolarHBondContact O-N 3.26Å; L277-T284 HydrophobicContact CD2-CG2 3.67Å; L277-L305 HydrophobicContact CD2-CD1 3.88Å; L277-L310 HydrophobicContact CD1-CD1 3.83Å
278	T	70.8	Confident	78.5	Confident	11 Å²	11	38.6 Å²	38.6	7%	0.067	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.2	172.9	71.5	0	0	0	0	112.1	L250 A274 A275 L276 L318 M322	L250-T278 HydrophobicContact CB-CG2 4.24Å; L250-T278 HydrophobicContact CD1-CG2 4.1Å; A274-T278 PolarHBondContact O-N 2.98Å; A275-T278 WeakPolarHBondContact O-CB 3.44Å; A275-T278 PolarHBondContact O-N 3.07Å; A275-T278 VanDerWaalsContact O-N 3.11Å; A275-T278 PolarHBondContact O-OG1 3.42Å; L276-T278 PolarHBondContact O-N 3.39Å; T278-L318 HydrophobicContact CG2-CD2 4.41Å; T278-M322 HydrophobicContact CG2-CE 4.01Å; T278-M322 HydrophobicContact CG2-SD 4.39Å
279	L	71.4	Confident	79	Confident	33 Å²	33	41 Å²	41	17%	0.173	21%	0.214	C	C	.	.	S	Bend	trans	-80.8	139.6	-176.8	-60.3	176.6	0	0	0	111.3	P256 L276 L277 H281 Y282	P256-L279 HydrophobicContact CB-CD2 4.25Å; L276-L279 HydrophobicContact CD2-CD1 3.94Å; L276-L279 VanDerWaalsContact O-CB 3.29Å; L276-L279 WeakPolarHBondContact O-CB 3.35Å; L276-L279 PolarHBondContact O-N 3.41Å; L277-L279 PolarHBondContact O-N 3.26Å; L279-H281 VanDerWaalsContact C-N 3.28Å; L279-H281 PolarHBondContact O-N 3.12Å; L279-Y282 HydrophobicContact CB-CD2 3.82Å; L279-Y282 HydrophobicContact CD1-CD2 4Å; L279-Y282 HydrophobicContact CD1-CE2 3.94Å; L279-Y282 PolarHBondContact O-N 2.99Å
280	P	69.4	Low	79.4	Confident	94 Å²	94	41.6 Å²	41.6	61%	0.61	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.5	-173.3	23.8	-33	0	0	0	113.5
281	H	75.8	Confident	79.6	Confident	82 Å²	82	40.8 Å²	40.8	38%	0.38	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8	-177.4	-54.9	-55.8	0	0	0	114.1	L279 T302 R303	L279-H281 VanDerWaalsContact C-N 3.28Å; L279-H281 PolarHBondContact O-N 3.12Å; H281-T302 CarbonylContact O-C 3.48Å; H281-T302 WeakPolarHBondContact O-CA 3.41Å; H281-R303 PolarHBondContact O-N 3.07Å
282	Y	80.7	Confident	79.9	Confident	27 Å²	27	42.4 Å²	42.4	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.3	177.7	-74.3	-98.2	0	0	0	109.5	K251 L276 L279 R303 L305	K251-Y282 WeakPolarHBondContact CE-O 3.18Å; K251-Y282 PolarHBondContact NZ-O 3.48Å; L276-Y282 HydrophobicContact CB-CD1 4.14Å; L276-Y282 HydrophobicContact CB-CE1 4.43Å; L276-Y282 HydrophobicContact CB-CG 4.26Å; L276-Y282 HydrophobicContact CD1-CD1 4.29Å; L276-Y282 HydrophobicContact CD1-CE1 3.88Å; L276-Y282 HydrophobicContact CD2-CE1 4.24Å; L276-Y282 HydrophobicContact CD2-CE2 4.17Å; L276-Y282 HydrophobicContact CG-CE1 4.43Å; L276-Y282 WeakPolarHBondContact O-CB 3.3Å; L279-Y282 HydrophobicContact CB-CD2 3.82Å; L279-Y282 HydrophobicContact CD1-CD2 4Å; L279-Y282 HydrophobicContact CD1-CE2 3.94Å; L279-Y282 PolarHBondContact O-N 2.99Å; Y282-R303 WeakPolarHBondContact CA-O 3.28Å; Y282-R303 HydrophobicContact CD1-CB 3.7Å; Y282-R303 HydrophobicContact CE1-CB 3.71Å; Y282-R303 HydrophobicContact CE1-CG 4.16Å; Y282-R303 HydrophobicContact CG-CB 4.18Å; Y282-L305 HydrophobicContact CD1-CD1 3.88Å; Y282-L305 HydrophobicContact CD1-CD2 3.94Å; Y282-L305 HydrophobicContact CD1-CG 3.89Å; Y282-L305 HydrophobicContact CE1-CD2 4.22Å
283	V	83.6	Confident	80.3	Confident	25 Å²	25	48 Å²	48	15%	0.152	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153	176.1	-63.2	0	0	0	0	108.7	Q287 F288 T302 R303 V304 L305	V283-Q287 HydrophobicContact CB-CB 4.23Å; V283-F288 HydrophobicContact CG2-CB 4.02Å; V283-F288 HydrophobicContact CG2-CD2 4.31Å; V283-T302 HydrophobicContact CB-CG2 4.46Å; V283-T302 HydrophobicContact CG1-CG2 4.21Å; V283-T302 HydrophobicContact CG2-CG2 3.45Å; V283-T302 VanDerWaalsContact CG2-CG2 3.45Å; V283-R303 PolarHBondContact N-O 2.89Å; V283-V304 HydrophobicContact CG2-CG2 4.23Å; V283-V304 CarbonylContact O-C 3.53Å; V283-V304 WeakPolarHBondContact O-CA 3.31Å; V283-L305 PolarHBondContact O-N 2.75Å
284	T	86.7	Confident	80.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	161	172.7	83.5	0	0	0	0	110.6	L277 S286 Q287 F288 L305 D307	L277-T284 HydrophobicContact CD2-CG2 3.67Å; T284-S286 VanDerWaalsContact C-N 3.31Å; T284-S286 PolarHBondContact O-N 2.6Å; T284-Q287 VanDerWaalsContact N-OE1 3.11Å; T284-Q287 WeakPolarHBondContact O-CB 3.45Å; T284-Q287 PolarHBondContact O-N 3.21Å; T284-Q287 VanDerWaalsContact O-N 3.1Å; T284-Q287 PolarHBondContact OG1-N 3.26Å; T284-F288 PolarHBondContact O-N 3.23Å; T284-L305 CarbonylContact C-O 3.52Å; T284-L305 WeakPolarHBondContact CA-O 3.43Å; T284-D307 WeakPolarHBondContact CB-OD1 3.49Å; T284-D307 PolarHBondContact OG1-OD1 2.75Å
285	R	86	Confident	80.4	Confident	116 Å²	116	57.1 Å²	57.1	44%	0.438	30%	0.304	S	S	.	.	H	α-helix	trans	-55.5	-45.7	178.4	-179.2	63	124.7	-168.3	-2.9	111.8	Q287 F288 D289 V304 L305 D307	R285-Q287 VanDerWaalsContact C-N 3.34Å; R285-Q287 PolarHBondContact O-N 3.44Å; R285-F288 WeakPolarHBondContact O-CB 3.31Å; R285-F288 PolarHBondContact O-N 3.44Å; R285-F288 VanDerWaalsContact O-N 3.14Å; R285-D289 VanDerWaalsContact O-CG 3.28Å; R285-D289 PolarHBondContact O-N 2.73Å; R285-V304 HydrophobicContact CB-CG1 4.07Å; R285-L305 PolarHBondContact N-O 2.64Å; R285-D307 WeakPolarHBondContact CB-OD2 3.42Å
286	S	86.8	Confident	80.5	Confident	59 Å²	59	64 Å²	64	41%	0.413	33%	0.329	S	S	.	.	H	α-helix	trans	-58.8	-42.4	175.1	-68	0	0	0	0	112.5	T284 F288 E290 D307	T284-S286 VanDerWaalsContact C-N 3.31Å; T284-S286 PolarHBondContact O-N 2.6Å; S286-F288 VanDerWaalsContact C-N 3.34Å; S286-E290 VanDerWaalsContact O-CB 3.26Å; S286-E290 WeakPolarHBondContact O-CB 3.08Å; S286-E290 PolarHBondContact O-N 3.06Å; S286-D307 VanDerWaalsContact CB-OD2 3.31Å; S286-D307 WeakPolarHBondContact CB-OD2 3.49Å; S286-D307 PolarHBondContact N-OD1 3.01Å; S286-D307 PolarHBondContact N-OD2 3.06Å; S286-D307 PolarHBondContact OG-OD1 2.67Å; S286-D307 PolarHBondContact OG-OD2 2.74Å
287	Q	84.4	Confident	80.4	Confident	30 Å²	30	71.3 Å²	71.3	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-66.6	-37.5	177	-68	-179.4	-38.2	0	0	112.2	A244 S247 V283 T284 R285 A291	A244-Q287 HydrophobicContact CB-CG 4.12Å; A244-Q287 PolarHBondContact O-NE2 3.29Å; S247-Q287 VanDerWaalsContact CB-NE2 3.35Å; S247-Q287 PolarHBondContact OG-NE2 2.83Å; S247-Q287 PolarHBondContact OG-OE1 2.99Å; V283-Q287 HydrophobicContact CB-CB 4.23Å; T284-Q287 VanDerWaalsContact N-OE1 3.11Å; T284-Q287 WeakPolarHBondContact O-CB 3.45Å; T284-Q287 PolarHBondContact O-N 3.21Å; T284-Q287 VanDerWaalsContact O-N 3.1Å; T284-Q287 PolarHBondContact OG1-N 3.26Å; R285-Q287 VanDerWaalsContact C-N 3.34Å; R285-Q287 PolarHBondContact O-N 3.44Å; Q287-A291 VanDerWaalsContact O-CB 3.28Å; Q287-A291 WeakPolarHBondContact O-CB 3.44Å; Q287-A291 PolarHBondContact O-N 3.4Å
288	F	85.3	Confident	79.7	Confident	48 Å²	48	73.5 Å²	73.5	21%	0.211	38%	0.381	C	S	.	.	H	α-helix	trans	-67.2	-48.8	177	-179.4	-88.1	0	0	0	111	V283 T284 R285 S286 E290 A291 I292 V298 V304	V283-F288 HydrophobicContact CG2-CB 4.02Å; V283-F288 HydrophobicContact CG2-CD2 4.31Å; T284-F288 PolarHBondContact O-N 3.23Å; R285-F288 WeakPolarHBondContact O-CB 3.31Å; R285-F288 PolarHBondContact O-N 3.44Å; R285-F288 VanDerWaalsContact O-N 3.14Å; S286-F288 VanDerWaalsContact C-N 3.34Å; F288-E290 VanDerWaalsContact C-N 3.34Å; F288-E290 PolarHBondContact O-N 2.97Å; F288-A291 WeakPolarHBondContact O-CB 3.43Å; F288-A291 PolarHBondContact O-N 3.07Å; F288-A291 VanDerWaalsContact O-N 3.12Å; F288-I292 HydrophobicContact CD1-CG1 4.05Å; F288-I292 HydrophobicContact CE1-CD1 4.27Å; F288-I292 HydrophobicContact CE1-CG1 3.71Å; F288-I292 HydrophobicContact CZ-CD1 4.16Å; F288-I292 HydrophobicContact CZ-CG1 4.08Å; F288-I292 WeakPolarHBondContact O-CG1 3.45Å; F288-I292 PolarHBondContact O-N 3.15Å; F288-V298 HydrophobicContact CD2-CG1 3.91Å; F288-V298 HydrophobicContact CD2-CG2 4.23Å; F288-V298 HydrophobicContact CE2-CB 4.06Å; F288-V298 HydrophobicContact CE2-CG1 3.47Å; F288-V298 VanDerWaalsContact CE2-CG1 3.47Å; F288-V298 HydrophobicContact CE2-CG2 3.94Å; F288-V298 HydrophobicContact CZ-CG1 4.5Å; F288-V298 HydrophobicContact CZ-CG2 4.48Å; F288-V304 HydrophobicContact CB-CG1 3.97Å; F288-V304 HydrophobicContact CB-CG2 4.02Å; F288-V304 HydrophobicContact CD1-CG2 4.33Å; F288-V304 HydrophobicContact CD2-CG2 3.29Å; F288-V304 HydrophobicContact CE2-CG2 3.71Å; F288-V304 HydrophobicContact CG-CG1 4.28Å; F288-V304 HydrophobicContact CG-CG2 3.63Å; F288-V304 HydrophobicContact CZ-CG2 4.42Å
289	D	86.4	Confident	79.6	Confident	79 Å²	79	78.4 Å²	78.4	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-41.6	-179.5	-65.7	-18.4	0	0	0	110.8	R285 A291 I292 E293	R285-D289 VanDerWaalsContact O-CG 3.28Å; R285-D289 PolarHBondContact O-N 2.73Å; D289-A291 VanDerWaalsContact C-N 3.33Å; D289-A291 PolarHBondContact O-N 3.08Å; D289-I292 PolarHBondContact O-N 2.85Å; D289-E293 WeakPolarHBondContact O-CB 3.46Å; D289-E293 PolarHBondContact O-N 3.27Å
290	E	84.8	Confident	79.4	Confident	93 Å²	93	84.6 Å²	84.6	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-61.8	-39.4	173.1	-174.8	-175.2	174	0	0	112.1	S286 F288 E293 K294	S286-E290 VanDerWaalsContact O-CB 3.26Å; S286-E290 WeakPolarHBondContact O-CB 3.08Å; S286-E290 PolarHBondContact O-N 3.06Å; F288-E290 VanDerWaalsContact C-N 3.34Å; F288-E290 PolarHBondContact O-N 2.97Å; E290-E293 PolarHBondContact O-N 2.96Å; E290-K294 HydrophobicContact CG-CD 4.13Å; E290-K294 WeakPolarHBondContact O-CB 3.47Å; E290-K294 WeakPolarHBondContact O-CG 3.38Å; E290-K294 PolarHBondContact O-N 3.23Å; E290-K294 WeakPolarHBondContact OE1-CE 3.42Å; E290-K294 IonicContact OE1-NZ 3.86Å; E290-K294 PolarHBondContact OE1-NZ 3.12Å
291	A	81	Confident	79.5	Confident	24 Å²	24	82.5 Å²	82.5	20%	0.198	43%	0.427	C	S	.	.	H	α-helix	trans	-65.7	-42.4	177.6	0	0	0	0	0	111.7	Q287 F288 D289 K294 G295 Y296	Q287-A291 VanDerWaalsContact O-CB 3.28Å; Q287-A291 WeakPolarHBondContact O-CB 3.44Å; Q287-A291 PolarHBondContact O-N 3.4Å; F288-A291 WeakPolarHBondContact O-CB 3.43Å; F288-A291 PolarHBondContact O-N 3.07Å; F288-A291 VanDerWaalsContact O-N 3.12Å; D289-A291 VanDerWaalsContact C-N 3.33Å; D289-A291 PolarHBondContact O-N 3.08Å; A291-K294 PolarHBondContact O-N 3.02Å; A291-G295 PolarHBondContact O-N 3.43Å; A291-Y296 HydrophobicContact CB-CD2 4.41Å; A291-Y296 WeakPolarHBondContact O-CB 3.46Å; A291-Y296 PolarHBondContact O-N 3.01Å
292	I	80.3	Confident	79.6	Confident	91 Å²	91	80 Å²	80	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.6	-66.1	-67.2	0	0	0	110.9	F288 D289 K294 G295 V298	F288-I292 HydrophobicContact CD1-CG1 4.05Å; F288-I292 HydrophobicContact CE1-CD1 4.27Å; F288-I292 HydrophobicContact CE1-CG1 3.71Å; F288-I292 HydrophobicContact CZ-CD1 4.16Å; F288-I292 HydrophobicContact CZ-CG1 4.08Å; F288-I292 WeakPolarHBondContact O-CG1 3.45Å; F288-I292 PolarHBondContact O-N 3.15Å; D289-I292 PolarHBondContact O-N 2.85Å; I292-K294 VanDerWaalsContact C-N 3.27Å; I292-K294 PolarHBondContact O-N 2.79Å; I292-G295 PolarHBondContact O-N 3.36Å; I292-V298 HydrophobicContact CD1-CG2 3.57Å; I292-V298 HydrophobicContact CG1-CG2 4.19Å
293	E	83.3	Confident	79.6	Confident	172 Å²	172	84.6 Å²	84.6	80%	0.804	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-37.4	178.6	-171.7	179.7	-177.1	0	0	111.9	D289 E290 G295	D289-E293 WeakPolarHBondContact O-CB 3.46Å; D289-E293 PolarHBondContact O-N 3.27Å; E290-E293 PolarHBondContact O-N 2.96Å; E293-G295 PolarHBondContact O-N 2.91Å
294	K	83.8	Confident	79.6	Confident	127 Å²	127	85.4 Å²	85.4	55%	0.552	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.9	176	-70.8	177.8	177.7	175.6	0	114.1	E290 A291 I292 Y296	E290-K294 HydrophobicContact CG-CD 4.13Å; E290-K294 WeakPolarHBondContact O-CB 3.47Å; E290-K294 WeakPolarHBondContact O-CG 3.38Å; E290-K294 PolarHBondContact O-N 3.23Å; E290-K294 WeakPolarHBondContact OE1-CE 3.42Å; E290-K294 IonicContact OE1-NZ 3.86Å; E290-K294 PolarHBondContact OE1-NZ 3.12Å; A291-K294 PolarHBondContact O-N 3.02Å; I292-K294 VanDerWaalsContact C-N 3.27Å; I292-K294 PolarHBondContact O-N 2.79Å; K294-Y296 HydrophobicContact CB-CD2 3.65Å; K294-Y296 HydrophobicContact CB-CE2 3.6Å; K294-Y296 HydrophobicContact CD-CE2 3.96Å; K294-Y296 HydrophobicContact CG-CE2 4.43Å
295	G	77.3	Confident	79.4	Confident	64 Å²	64	85.4 Å²	85.4	66%	0.66	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	26.3	178	0	0	0	0	0	114.5	A291 I292 E293	A291-G295 PolarHBondContact O-N 3.43Å; I292-G295 PolarHBondContact O-N 3.36Å; E293-G295 PolarHBondContact O-N 2.91Å
296	Y	77.5	Confident	79.4	Confident	157 Å²	157	83.8 Å²	83.8	62%	0.616	44%	0.439	S	S	*	.			trans	-76.5	136.6	172.2	-69.8	-73.2	0	0	0	111	A291 K294 V298	A291-Y296 HydrophobicContact CB-CD2 4.41Å; A291-Y296 WeakPolarHBondContact O-CB 3.46Å; A291-Y296 PolarHBondContact O-N 3.01Å; K294-Y296 HydrophobicContact CB-CD2 3.65Å; K294-Y296 HydrophobicContact CB-CE2 3.6Å; K294-Y296 HydrophobicContact CD-CE2 3.96Å; K294-Y296 HydrophobicContact CG-CE2 4.43Å; Y296-V298 PolarHBondContact O-N 3.44Å
297	D	73.2	Confident	79.3	Confident	166 Å²	166	84.1 Å²	84.1	89%	0.888	44%	0.437	S	S	*	.			trans	-67.9	114.8	171.4	-79.1	-28.9	0	0	0	109.9
298	V	65.9	Low	79.4	Confident	46 Å²	46	85.5 Å²	85.5	28%	0.279	44%	0.441	S	S	.	.			trans	-84.6	122.3	175	-174.4	0	0	0	0	109.3	F288 I292 Y296 T302	F288-V298 HydrophobicContact CD2-CG1 3.91Å; F288-V298 HydrophobicContact CD2-CG2 4.23Å; F288-V298 HydrophobicContact CE2-CB 4.06Å; F288-V298 HydrophobicContact CE2-CG1 3.47Å; F288-V298 VanDerWaalsContact CE2-CG1 3.47Å; F288-V298 HydrophobicContact CE2-CG2 3.94Å; F288-V298 HydrophobicContact CZ-CG1 4.5Å; F288-V298 HydrophobicContact CZ-CG2 4.48Å; I292-V298 HydrophobicContact CD1-CG2 3.57Å; I292-V298 HydrophobicContact CG1-CG2 4.19Å; Y296-V298 PolarHBondContact O-N 3.44Å; V298-T302 VanDerWaalsContact CG1-CB 3.49Å; V298-T302 HydrophobicContact CG1-CG2 3.74Å; V298-T302 WeakPolarHBondContact CG1-OG1 3.39Å
299	I	69.2	Low	79.4	Confident	114 Å²	114	86.1 Å²	86.1	59%	0.585	45%	0.451	S	S	*	.			trans	-65.9	139.4	-179	-51.8	173	0	0	0	109.2	S301 T302	I299-S301 PolarHBondContact O-N 2.78Å; I299-T302 PolarHBondContact N-OG1 3.13Å; I299-T302 WeakPolarHBondContact O-CB 3.48Å; I299-T302 PolarHBondContact O-N 2.85Å; I299-T302 PolarHBondContact O-OG1 3.3Å
300	D	65.4	Low	79.2	Confident	163 Å²	163	82.3 Å²	82.3	87%	0.872	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.5	179.6	-73.7	-21.2	0	0	0	114.2	T302	D300-T302 VanDerWaalsContact C-N 3.31Å
301	S	72.4	Confident	79	Confident	50 Å²	50	78.9 Å²	78.9	35%	0.35	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.4	177.3	68.7	0	0	0	0	114	I299 R303	I299-S301 PolarHBondContact O-N 2.78Å; S301-R303 PolarHBondContact O-N 2.85Å
302	T	76.9	Confident	78.8	Confident	30 Å²	30	77.8 Å²	77.8	18%	0.184	41%	0.407	C	S	.	.			trans	-66.9	124.7	-178.6	-52.9	0	0	0	0	109.9	H281 V283 V298 I299 D300	H281-T302 CarbonylContact O-C 3.48Å; H281-T302 WeakPolarHBondContact O-CA 3.41Å; V283-T302 HydrophobicContact CB-CG2 4.46Å; V283-T302 HydrophobicContact CG1-CG2 4.21Å; V283-T302 HydrophobicContact CG2-CG2 3.45Å; V283-T302 VanDerWaalsContact CG2-CG2 3.45Å; V298-T302 VanDerWaalsContact CG1-CB 3.49Å; V298-T302 HydrophobicContact CG1-CG2 3.74Å; V298-T302 WeakPolarHBondContact CG1-OG1 3.39Å; I299-T302 PolarHBondContact N-OG1 3.13Å; I299-T302 WeakPolarHBondContact O-CB 3.48Å; I299-T302 PolarHBondContact O-N 2.85Å; I299-T302 PolarHBondContact O-OG1 3.3Å; D300-T302 VanDerWaalsContact C-N 3.31Å
303	R	80.7	Confident	78.6	Confident	122 Å²	122	77.1 Å²	77.1	46%	0.46	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.2	176.8	-60.6	-58	-173.7	-142.8	0.8	108.6	H281 Y282 V283 S301	H281-R303 PolarHBondContact O-N 3.07Å; Y282-R303 WeakPolarHBondContact CA-O 3.28Å; Y282-R303 HydrophobicContact CD1-CB 3.7Å; Y282-R303 HydrophobicContact CE1-CB 3.71Å; Y282-R303 HydrophobicContact CE1-CG 4.16Å; Y282-R303 HydrophobicContact CG-CB 4.18Å; V283-R303 PolarHBondContact N-O 2.89Å; S301-R303 PolarHBondContact O-N 2.85Å
304	V	83.5	Confident	78.2	Confident	42 Å²	42	69.4 Å²	69.4	26%	0.255	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.2	-178.6	-170.8	0	0	0	0	108.9	V283 R285 F288	V283-V304 HydrophobicContact CG2-CG2 4.23Å; V283-V304 CarbonylContact O-C 3.53Å; V283-V304 WeakPolarHBondContact O-CA 3.31Å; R285-V304 HydrophobicContact CB-CG1 4.07Å; F288-V304 HydrophobicContact CB-CG1 3.97Å; F288-V304 HydrophobicContact CB-CG2 4.02Å; F288-V304 HydrophobicContact CD1-CG2 4.33Å; F288-V304 HydrophobicContact CD2-CG2 3.29Å; F288-V304 HydrophobicContact CE2-CG2 3.71Å; F288-V304 HydrophobicContact CG-CG1 4.28Å; F288-V304 HydrophobicContact CG-CG2 3.63Å; F288-V304 HydrophobicContact CZ-CG2 4.42Å
305	L	84.3	Confident	77.8	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.8	174.3	-62	177.7	0	0	0	110.1	Y273 L276 L277 Y282 V283 T284 R285 D307	Y273-L305 HydrophobicContact CD2-CD1 4.45Å; Y273-L305 HydrophobicContact CE1-CD1 4.4Å; Y273-L305 HydrophobicContact CE2-CB 3.85Å; Y273-L305 HydrophobicContact CE2-CD1 4.13Å; Y273-L305 HydrophobicContact CE2-CG 4.45Å; Y273-L305 WeakPolarHBondContact OH-CB 3.33Å; L276-L305 HydrophobicContact CB-CD1 4.12Å; L277-L305 HydrophobicContact CD2-CD1 3.88Å; Y282-L305 HydrophobicContact CD1-CD1 3.88Å; Y282-L305 HydrophobicContact CD1-CD2 3.94Å; Y282-L305 HydrophobicContact CD1-CG 3.89Å; Y282-L305 HydrophobicContact CE1-CD2 4.22Å; V283-L305 PolarHBondContact O-N 2.75Å; T284-L305 CarbonylContact C-O 3.52Å; T284-L305 WeakPolarHBondContact CA-O 3.43Å; R285-L305 PolarHBondContact N-O 2.64Å; L305-D307 PolarHBondContact O-N 3.16Å
306	D	85.7	Confident	77.4	Confident	81 Å²	81	60.4 Å²	60.4	43%	0.433	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-63.6	133.1	176	-72	-34.1	0	0	0	110.5	Y273 R308	Y273-D306 PolarHBondContact OH-O 3.21Å; D306-R308 PolarHBondContact O-N 2.82Å
307	D	84.4	Confident	76.9	Confident	67 Å²	67	57.6 Å²	57.6	36%	0.358	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62.4	121.3	178.5	-67.1	-55.8	0	0	0	110.2	T284 R285 S286 L305	T284-D307 WeakPolarHBondContact CB-OD1 3.49Å; T284-D307 PolarHBondContact OG1-OD1 2.75Å; R285-D307 WeakPolarHBondContact CB-OD2 3.42Å; S286-D307 VanDerWaalsContact CB-OD2 3.31Å; S286-D307 WeakPolarHBondContact CB-OD2 3.49Å; S286-D307 PolarHBondContact N-OD1 3.01Å; S286-D307 PolarHBondContact N-OD2 3.06Å; S286-D307 PolarHBondContact OG-OD1 2.67Å; S286-D307 PolarHBondContact OG-OD2 2.74Å; L305-D307 PolarHBondContact O-N 3.16Å
308	R	85.8	Confident	76.6	Confident	59 Å²	59	49.7 Å²	49.7	22%	0.223	26%	0.258	C	S	.	.			trans	-134.5	162.4	168	71.5	-174.9	-166	177	7.4	111.3	S243 G265 L268 T269 D270 Y273 D306 L310	S243-R308 WeakPolarHBondContact CB-O 3.41Å; S243-R308 PolarHBondContact N-O 2.69Å; S243-R308 VanDerWaalsContact N-O 3.12Å; S243-R308 PolarHBondContact OG-N 2.92Å; S243-R308 PolarHBondContact OG-O 2.94Å; G265-R308 PolarHBondContact O-NH1 3.38Å; L268-R308 VanDerWaalsContact O-CZ 3.29Å; L268-R308 PolarHBondContact O-NH1 3.48Å; L268-R308 PolarHBondContact O-NH2 3.27Å; T269-R308 PolarHBondContact O-NH2 2.99Å; D270-R308 VanDerWaalsContact CA-NH2 3.35Å; D270-R308 IonicContact OD1-CZ 3.76Å; D270-R308 IonicContact OD1-NE 2.69Å; D270-R308 IonicContact OD1-NH2 2.85Å; D270-R308 PolarHBondContact OD1-NH2 3.46Å; Y273-R308 HydrophobicContact CD2-CG 4.41Å; Y273-R308 VanDerWaalsContact CD2-NE 3.31Å; Y273-R308 HydrophobicContact CE1-CG 4.24Å; Y273-R308 HydrophobicContact CE2-CG 4.06Å; D306-R308 PolarHBondContact O-N 2.82Å; R308-L310 HydrophobicContact CG-CD2 4.49Å
309	S	84.9	Confident	76.5	Confident	60 Å²	60	47.7 Å²	47.7	42%	0.42	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.2	172.6	62.6	0	0	0	0	110	L241	L241-S309 CarbonylContact O-C 3.44Å; L241-S309 WeakPolarHBondContact O-CA 3.48Å
310	L	82.5	Confident	76.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.8	-176.5	-67.4	169.3	0	0	0	110.1	Y240 L241 V246 D270 Y273 A274 L277 R308 S312 L315	Y240-L310 WeakPolarHBondContact CA-O 3.13Å; L241-L310 PolarHBondContact N-O 3.25Å; L241-L310 PolarHBondContact O-N 2.89Å; V246-L310 HydrophobicContact CB-CD1 4.1Å; V246-L310 HydrophobicContact CG1-CD1 3.84Å; V246-L310 HydrophobicContact CG2-CD1 4.29Å; D270-L310 HydrophobicContact CB-CD2 4.18Å; Y273-L310 HydrophobicContact CD1-CD1 4.15Å; Y273-L310 HydrophobicContact CD1-CD2 3.7Å; Y273-L310 HydrophobicContact CD1-CG 4.37Å; Y273-L310 HydrophobicContact CE1-CD1 4.43Å; Y273-L310 HydrophobicContact CE1-CD2 4.37Å; Y273-L310 HydrophobicContact CG-CD2 4.28Å; A274-L310 HydrophobicContact CB-CD1 4.05Å; L277-L310 HydrophobicContact CD1-CD1 3.83Å; R308-L310 HydrophobicContact CG-CD2 4.49Å; L310-S312 PolarHBondContact O-N 3.34Å; L310-L315 HydrophobicContact CB-CD1 4.07Å; L310-L315 HydrophobicContact CB-CD2 4.08Å; L310-L315 HydrophobicContact CB-CG 4.12Å; L310-L315 HydrophobicContact CD1-CD2 4.11Å
311	S	81.8	Confident	75.9	Confident	20 Å²	20	37.8 Å²	37.8	14%	0.14	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.5	177.6	61.9	0	0	0	0	111.4	D270 K313 A314 L315	D270-S311 WeakPolarHBondContact OD2-CB 3.4Å; D270-S311 PolarHBondContact OD2-N 3.19Å; D270-S311 PolarHBondContact OD2-OG 2.68Å; S311-K313 PolarHBondContact O-N 3.39Å; S311-K313 VanDerWaalsContact O-N 3.14Å; S311-A314 PolarHBondContact O-N 2.91Å; S311-A314 WeakPolarHBondContact OG-CB 3.5Å; S311-A314 PolarHBondContact OG-N 3.39Å; S311-L315 WeakPolarHBondContact O-CG 3.5Å; S311-L315 PolarHBondContact O-N 3.09Å
312	S	77	Confident	75	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-52.1	-31.7	171.8	52.6	0	0	0	0	113	Y27 D238 R239 L310 L315 S316	Y27-S312 WeakPolarHBondContact OH-CB 3.49Å; Y27-S312 PolarHBondContact OH-OG 3.06Å; D238-S312 VanDerWaalsContact CA-OG 3.29Å; D238-S312 WeakPolarHBondContact CA-OG 3.22Å; R239-S312 PolarHBondContact N-OG 3.46Å; R239-S312 VanDerWaalsContact O-CB 3.29Å; R239-S312 WeakPolarHBondContact O-CB 3.28Å; R239-S312 PolarHBondContact O-N 3.21Å; R239-S312 PolarHBondContact O-OG 2.92Å; L310-S312 PolarHBondContact O-N 3.34Å; S312-L315 PolarHBondContact O-N 2.98Å; S312-S316 WeakPolarHBondContact O-CB 3.05Å; S312-S316 PolarHBondContact O-N 2.77Å
313	K	75.4	Confident	73.8	Confident	78 Å²	78	38.7 Å²	38.7	34%	0.339	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-52.8	172.5	-173	-177.4	-172.9	160.6	0	111.7	A40 E44 S311 L315 S316 K317	A40-K313 HydrophobicContact CB-CB 4.16Å; A40-K313 HydrophobicContact CB-CD 3.74Å; A40-K313 HydrophobicContact CB-CG 4.12Å; E44-K313 WeakPolarHBondContact OE2-CE 3.44Å; E44-K313 IonicContact OE2-NZ 2.92Å; E44-K313 PolarHBondContact OE2-NZ 3.26Å; S311-K313 PolarHBondContact O-N 3.39Å; S311-K313 VanDerWaalsContact O-N 3.14Å; K313-L315 VanDerWaalsContact C-N 3.33Å; K313-L315 PolarHBondContact O-N 3.29Å; K313-S316 PolarHBondContact O-N 3.16Å; K313-K317 WeakPolarHBondContact O-CB 3.28Å; K313-K317 PolarHBondContact O-N 3.21Å
314	A	74.2	Confident	72	Confident	10 Å²	10	37.4 Å²	37.4	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-38.7	179	0	0	0	0	0	112	D270 S311 K317 L318	D270-A314 HydrophobicContact CB-CB 3.32Å; S311-A314 PolarHBondContact O-N 2.91Å; S311-A314 WeakPolarHBondContact OG-CB 3.5Å; S311-A314 PolarHBondContact OG-N 3.39Å; A314-K317 WeakPolarHBondContact O-CB 3.22Å; A314-K317 PolarHBondContact O-N 3.3Å; A314-L318 WeakPolarHBondContact O-CB 3.32Å; A314-L318 PolarHBondContact O-N 2.78Å
315	L	75.4	Confident	69.9	Low	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-42.9	176.9	-63.6	174.1	0	0	0	112.3	L28 L31 L241 V246 A274 L310 S311 S312 K313 K317 L318 L319	L28-L315 HydrophobicContact CD2-CD1 4.13Å; L31-L315 HydrophobicContact CD1-CB 4.34Å; L241-L315 HydrophobicContact CB-CD1 4.03Å; L241-L315 HydrophobicContact CD1-CD1 3.76Å; L241-L315 HydrophobicContact CG-CD1 4.31Å; V246-L315 HydrophobicContact CB-CD2 4.47Å; V246-L315 HydrophobicContact CG1-CD2 3.5Å; V246-L315 HydrophobicContact CG2-CD1 3.8Å; V246-L315 HydrophobicContact CG2-CD2 4.12Å; A274-L315 HydrophobicContact CB-CD2 4.12Å; L310-L315 HydrophobicContact CB-CD1 4.07Å; L310-L315 HydrophobicContact CB-CD2 4.08Å; L310-L315 HydrophobicContact CB-CG 4.12Å; L310-L315 HydrophobicContact CD1-CD2 4.11Å; S311-L315 WeakPolarHBondContact O-CG 3.5Å; S311-L315 PolarHBondContact O-N 3.09Å; S312-L315 PolarHBondContact O-N 2.98Å; K313-L315 VanDerWaalsContact C-N 3.33Å; K313-L315 PolarHBondContact O-N 3.29Å; L315-K317 VanDerWaalsContact C-N 3.31Å; L315-K317 PolarHBondContact O-N 2.56Å; L315-L318 PolarHBondContact O-N 3.46Å; L315-L319 VanDerWaalsContact O-CB 3.29Å; L315-L319 WeakPolarHBondContact O-CB 3.29Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.46Å; L315-L319 PolarHBondContact O-N 2.72Å
316	S	69.3	Low	67.8	Low	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-47.1	174	-177.7	0	0	0	0	110.4	E41 S312 K313 L318 K320	E41-S316 VanDerWaalsContact OE1-CB 3.3Å; E41-S316 WeakPolarHBondContact OE1-CB 3.14Å; E41-S316 PolarHBondContact OE1-OG 2.9Å; E41-S316 PolarHBondContact OE2-OG 3.49Å; S312-S316 WeakPolarHBondContact O-CB 3.05Å; S312-S316 PolarHBondContact O-N 2.77Å; K313-S316 PolarHBondContact O-N 3.16Å; S316-L318 PolarHBondContact O-N 2.84Å; S316-K320 WeakPolarHBondContact O-CB 3.39Å; S316-K320 VanDerWaalsContact O-CG 3.24Å; S316-K320 WeakPolarHBondContact O-CG 3.38Å; S316-K320 PolarHBondContact O-N 2.68Å; S316-K320 VanDerWaalsContact OG-CE 3.28Å; S316-K320 WeakPolarHBondContact OG-CE 3.14Å; S316-K320 PolarHBondContact OG-NZ 3.18Å
317	K	67.4	Low	65.9	Low	99 Å²	99	42.4 Å²	42.4	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-56.5	-52.3	175.8	-171.9	176.9	179.6	174.5	0	110.9	K208 Y271 K313 A314 L315 K320 D321	K208-K317 PolarHBondContact NZ-O 3.19Å; Y271-K317 HydrophobicContact CD2-CB 4.26Å; Y271-K317 HydrophobicContact CD2-CD 3.9Å; Y271-K317 HydrophobicContact CD2-CG 4.01Å; Y271-K317 HydrophobicContact CE2-CB 4.43Å; Y271-K317 HydrophobicContact CE2-CD 4.1Å; Y271-K317 HydrophobicContact CE2-CG 3.89Å; K313-K317 WeakPolarHBondContact O-CB 3.28Å; K313-K317 PolarHBondContact O-N 3.21Å; A314-K317 WeakPolarHBondContact O-CB 3.22Å; A314-K317 PolarHBondContact O-N 3.3Å; L315-K317 VanDerWaalsContact C-N 3.31Å; L315-K317 PolarHBondContact O-N 2.56Å; K317-K320 PolarHBondContact O-N 2.59Å; K317-D321 WeakPolarHBondContact O-CB 3.46Å; K317-D321 PolarHBondContact O-N 3.01Å
318	L	65.8	Low	64.3	Low	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-46.6	-178.6	-175.3	134	0	0	0	113.2	L250 M257 Y271 A274 A275 T278 A314 L315 S316 K320 D321 M322	L250-L318 HydrophobicContact CD1-CD2 3.76Å; L250-L318 HydrophobicContact CD2-CD2 3.56Å; L250-L318 HydrophobicContact CG-CD2 4.33Å; M257-L318 HydrophobicContact CE-CG 4.36Å; Y271-L318 HydrophobicContact CD2-CB 4.15Å; Y271-L318 HydrophobicContact CE2-CB 4.02Å; Y271-L318 HydrophobicContact CE2-CD1 4.47Å; A274-L318 HydrophobicContact CB-CD1 3.82Å; A275-L318 HydrophobicContact CB-CD1 3.88Å; A275-L318 VanDerWaalsContact N-CD1 3.33Å; T278-L318 HydrophobicContact CG2-CD2 4.41Å; A314-L318 WeakPolarHBondContact O-CB 3.32Å; A314-L318 PolarHBondContact O-N 2.78Å; L315-L318 PolarHBondContact O-N 3.46Å; S316-L318 PolarHBondContact O-N 2.84Å; L318-K320 PolarHBondContact O-N 3.3Å; L318-D321 WeakPolarHBondContact O-CB 3.43Å; L318-D321 PolarHBondContact O-N 3.49Å; L318-M322 HydrophobicContact CD2-CG 4.39Å; L318-M322 HydrophobicContact CD2-SD 3.52Å; L318-M322 VanDerWaalsContact CD2-SD 3.52Å; L318-M322 HydrophobicContact CG-SD 4.36Å; L318-M322 VanDerWaalsContact O-CG 3.31Å; L318-M322 WeakPolarHBondContact O-CG 3.46Å; L318-M322 PolarHBondContact O-N 2.93Å
319	L	64.7	Low	62.8	Low	3 Å²	3	44.2 Å²	44.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-43.7	178.1	-74.1	172	0	0	0	111.5	L28 L31 T32 Y249 L250 L315 D321 M322 M323	L28-L319 HydrophobicContact CD2-CD1 4.03Å; L31-L319 HydrophobicContact CB-CD1 3.94Å; L31-L319 HydrophobicContact CD1-CD1 4.44Å; T32-L319 HydrophobicContact CG2-CB 4.22Å; T32-L319 HydrophobicContact CG2-CD1 4.13Å; T32-L319 HydrophobicContact CG2-CD2 4.17Å; T32-L319 HydrophobicContact CG2-CG 4.42Å; Y249-L319 HydrophobicContact CE1-CD2 4.04Å; L250-L319 HydrophobicContact CD2-CD2 3.66Å; L250-L319 HydrophobicContact CD2-CG 4.46Å; L315-L319 VanDerWaalsContact O-CB 3.29Å; L315-L319 WeakPolarHBondContact O-CB 3.29Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.46Å; L315-L319 PolarHBondContact O-N 2.72Å; L319-D321 VanDerWaalsContact C-N 3.33Å; L319-M322 WeakPolarHBondContact O-CB 3.46Å; L319-M322 PolarHBondContact O-N 2.86Å; L319-M323 VanDerWaalsContact O-CG 3.28Å; L319-M323 WeakPolarHBondContact O-CG 3.31Å; L319-M323 PolarHBondContact O-N 2.74Å
320	K	64.5	Low	61.7	Low	35 Å²	35	43.6 Å²	43.6	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-36.5	175.2	-70.7	171.3	-176.7	175	0	111	F36 E41 S316 K317 L318 M323 M324	F36-K320 PolarHBondContact O-NZ 3.42Å; F36-K320 VanDerWaalsContact O-NZ 3.12Å; E41-K320 IonicContact OE1-NZ 3.35Å; E41-K320 PolarHBondContact OE1-NZ 3.07Å; E41-K320 IonicContact OE2-NZ 3.14Å; E41-K320 PolarHBondContact OE2-NZ 2.91Å; S316-K320 WeakPolarHBondContact O-CB 3.39Å; S316-K320 VanDerWaalsContact O-CG 3.24Å; S316-K320 WeakPolarHBondContact O-CG 3.38Å; S316-K320 PolarHBondContact O-N 2.68Å; S316-K320 VanDerWaalsContact OG-CE 3.28Å; S316-K320 WeakPolarHBondContact OG-CE 3.14Å; S316-K320 PolarHBondContact OG-NZ 3.18Å; K317-K320 PolarHBondContact O-N 2.59Å; L318-K320 PolarHBondContact O-N 3.3Å; K320-M323 PolarHBondContact O-N 3.12Å; K320-M324 VanDerWaalsContact O-CB 3.28Å; K320-M324 WeakPolarHBondContact O-CB 3.46Å; K320-M324 WeakPolarHBondContact O-CG 3.05Å; K320-M324 PolarHBondContact O-N 3.35Å
321	D	56.5	Low	61.2	Low	35 Å²	35	44.7 Å²	44.7	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-44	173.7	-69.8	-10.1	0	0	0	111.3	K208 M257 Y271 K317 L318 L319 M323	K208-D321 WeakPolarHBondContact CD-OD1 3.22Å; K208-D321 WeakPolarHBondContact CE-OD1 3.43Å; K208-D321 IonicContact NZ-OD1 3.09Å; K208-D321 PolarHBondContact NZ-OD1 3.01Å; M257-D321 HydrophobicContact CE-CB 4.02Å; Y271-D321 WeakPolarHBondContact CE2-OD2 3.44Å; Y271-D321 VanDerWaalsContact CZ-OD2 3.29Å; Y271-D321 PolarHBondContact OH-OD2 2.9Å; K317-D321 WeakPolarHBondContact O-CB 3.46Å; K317-D321 PolarHBondContact O-N 3.01Å; L318-D321 WeakPolarHBondContact O-CB 3.43Å; L318-D321 PolarHBondContact O-N 3.49Å; L319-D321 VanDerWaalsContact C-N 3.33Å; D321-M323 PolarHBondContact O-N 3.46Å
322	M	54.6	Low	60.5	Low	7 Å²	7	43.8 Å²	43.8	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-28.6	175.4	-73.4	177.1	98.7	0	0	113	L250 F253 I255 M257 T278 L318 L319 S325	L250-M322 HydrophobicContact CD2-SD 4.01Å; F253-M322 HydrophobicContact CB-CE 3.79Å; I255-M322 HydrophobicContact CB-CE 3.67Å; I255-M322 HydrophobicContact CD1-CB 4Å; I255-M322 HydrophobicContact CD1-CE 4.11Å; I255-M322 HydrophobicContact CD1-CG 4.37Å; I255-M322 HydrophobicContact CG1-CE 4.02Å; M257-M322 HydrophobicContact CE-CG 3.72Å; T278-M322 HydrophobicContact CG2-CE 4.01Å; T278-M322 HydrophobicContact CG2-SD 4.39Å; L318-M322 HydrophobicContact CD2-CG 4.39Å; L318-M322 HydrophobicContact CD2-SD 3.52Å; L318-M322 VanDerWaalsContact CD2-SD 3.52Å; L318-M322 HydrophobicContact CG-SD 4.36Å; L318-M322 VanDerWaalsContact O-CG 3.31Å; L318-M322 WeakPolarHBondContact O-CG 3.46Å; L318-M322 PolarHBondContact O-N 2.93Å; L319-M322 WeakPolarHBondContact O-CB 3.46Å; L319-M322 PolarHBondContact O-N 2.86Å; M322-S325 PolarHBondContact O-OG 3.13Å
323	M	50.5	Low	60.2	Low	91 Å²	91	44.1 Å²	44.1	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-91.7	-32.6	-179.6	-70	-178.5	77.6	0	0	113.7	T32 L319 K320 D321 S325 C326	T32-M323 VanDerWaalsContact CA-SD 3.59Å; T32-M323 WeakPolarHBondContact CB-SD 3.44Å; T32-M323 HydrophobicContact CG2-SD 3.7Å; T32-M323 VanDerWaalsContact O-CE 3.27Å; T32-M323 WeakPolarHBondContact O-CE 3.01Å; L319-M323 VanDerWaalsContact O-CG 3.28Å; L319-M323 WeakPolarHBondContact O-CG 3.31Å; L319-M323 PolarHBondContact O-N 2.74Å; K320-M323 PolarHBondContact O-N 3.12Å; D321-M323 PolarHBondContact O-N 3.46Å; M323-S325 PolarHBondContact O-N 3.42Å; M323-C326 PolarHBondContact O-N 3.38Å
324	M	43.8	Very low	59.8	Low	95 Å²	95	43.4 Å²	43.4	47%	0.468	24%	0.237	S	C	.	.	H	α-helix	trans	-70.7	-18.3	-179.6	-74.2	-77.4	-68.5	0	0	113	K320 C326	K320-M324 VanDerWaalsContact O-CB 3.28Å; K320-M324 WeakPolarHBondContact O-CB 3.46Å; K320-M324 WeakPolarHBondContact O-CG 3.05Å; K320-M324 PolarHBondContact O-N 3.35Å; M324-C326 PolarHBondContact O-N 2.9Å; M324-C326 VanDerWaalsContact O-N 3.16Å
325	S	40.5	Very low	58.9	Low	86 Å²	86	44.1 Å²	44.1	60%	0.601	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.2	171.4	57.5	0	0	0	0	113.4	M322 M323	M322-S325 PolarHBondContact O-OG 3.13Å; M323-S325 PolarHBondContact O-N 3.42Å
326	C	39.7	Very low	58	Low	73 Å²	73	44.2 Å²	44.2	49%	0.493	24%	0.239	S	C	.	.			trans	-106.7	72.9	-177.6	-60.4	0	0	0	0	111.4	M323 M324	M323-C326 PolarHBondContact O-N 3.38Å; M324-C326 PolarHBondContact O-N 2.9Å; M324-C326 VanDerWaalsContact O-N 3.16Å
327	T	45.1	Very low	57.6	Low	71 Å²	71	48.4 Å²	48.4	44%	0.436	26%	0.262	S	S	.	.			trans	-98.7	131.2	166.2	61.6	0	0	0	0	109.6	E329 L330	T327-E329 PolarHBondContact O-N 3.33Å; T327-E329 PolarHBondContact OG1-O 3.44Å; T327-L330 WeakPolarHBondContact OG1-CD2 3.43Å
328	N	51.7	Low	57.1	Low	57 Å²	57	48.4 Å²	48.4	31%	0.305	26%	0.262	S	S	.	.	S	Bend	trans	-76.8	-7.9	174.9	-65	-12.4	0	0	0	112.4	Q384 F385	N328-Q384 CarbonylContact O-C 3.55Å; N328-Q384 VanDerWaalsContact O-CA 3.29Å; N328-Q384 WeakPolarHBondContact O-CA 3.39Å; N328-F385 PolarHBondContact O-N 3.3Å
329	E	53.9	Low	56.5	Low	106 Å²	106	50.4 Å²	50.4	50%	0.495	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.5	-175.4	-70.4	173.1	-163.7	0	0	109	T327 V382 V383 Q384	T327-E329 PolarHBondContact O-N 3.33Å; T327-E329 PolarHBondContact OG1-O 3.44Å; E329-V382 HydrophobicContact CB-CG1 3.92Å; E329-V382 HydrophobicContact CG-CG1 4.17Å; E329-V383 WeakPolarHBondContact CA-O 3.38Å; E329-Q384 HydrophobicContact CG-CB 4Å; E329-Q384 HydrophobicContact CG-CG 3.77Å; E329-Q384 PolarHBondContact OE1-NE2 2.85Å
330	L	61.6	Low	56	Low	48 Å²	48	53.1 Å²	53.1	25%	0.251	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.8	172.8	-73.1	174	0	0	0	109.1	T327 D334 I335 V383	T327-L330 WeakPolarHBondContact OG1-CD2 3.43Å; L330-D334 HydrophobicContact CD2-CB 4.35Å; L330-I335 HydrophobicContact CB-CD1 3.98Å; L330-I335 HydrophobicContact CB-CG1 3.8Å; L330-I335 HydrophobicContact CD1-CG1 4.06Å; L330-V383 PolarHBondContact N-O 2.9Å; L330-V383 VanDerWaalsContact N-O 3.11Å; L330-V383 PolarHBondContact O-N 2.72Å
331	T	73	Confident	55.6	Low	23 Å²	23	58.3 Å²	58.3	14%	0.141	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	156.7	171.3	69.8	0	0	0	0	110.8	G333 D334 I335 Q379 I381 V382	T331-G333 PolarHBondContact O-N 2.93Å; T331-D334 WeakPolarHBondContact CB-OD2 3.46Å; T331-D334 PolarHBondContact N-OD2 3.47Å; T331-D334 VanDerWaalsContact N-OD2 3.1Å; T331-D334 PolarHBondContact O-N 2.97Å; T331-D334 PolarHBondContact OG1-N 3.33Å; T331-D334 PolarHBondContact OG1-OD2 3.37Å; T331-I335 VanDerWaalsContact O-CG1 3.3Å; T331-I335 WeakPolarHBondContact O-CG1 3.44Å; T331-I335 PolarHBondContact O-N 3.22Å; T331-I335 VanDerWaalsContact O-N 3.08Å; T331-Q379 WeakPolarHBondContact CB-O 3.49Å; T331-I381 CarbonylContact C-O 3.59Å; T331-I381 WeakPolarHBondContact CA-O 3.23Å; T331-V382 HydrophobicContact CG2-CG2 4.29Å
332	I	66.5	Low	55.2	Low	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-34.1	173.9	-66.1	-179.5	0	0	0	111.1	I335 T336 V355 M358 Y359 F362 Q379 I381 V383	I332-I335 PolarHBondContact O-N 2.94Å; I332-T336 WeakPolarHBondContact O-CB 3.28Å; I332-T336 PolarHBondContact O-N 3.17Å; I332-T336 PolarHBondContact O-OG1 3.39Å; I332-V355 HydrophobicContact CG2-CB 4.43Å; I332-V355 HydrophobicContact CG2-CG1 3.73Å; I332-M358 HydrophobicContact CG2-CB 3.59Å; I332-Y359 HydrophobicContact CD1-CD2 3.66Å; I332-Y359 HydrophobicContact CD1-CG 4.16Å; I332-F362 HydrophobicContact CG1-CD2 4.41Å; I332-Q379 PolarHBondContact N-O 3.4Å; I332-I381 HydrophobicContact CD1-CB 3.95Å; I332-I381 HydrophobicContact CD1-CG2 4.09Å; I332-I381 HydrophobicContact CG1-CB 4.37Å; I332-I381 PolarHBondContact N-O 3.32Å; I332-V383 HydrophobicContact CG1-CG2 3.78Å
333	G	69.8	Low	54.9	Low	8 Å²	8	63.2 Å²	63.2	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-56.6	-55.9	171.4	0	0	0	0	0	111.6	T331 I335 T336 D337 Q379	T331-G333 PolarHBondContact O-N 2.93Å; G333-I335 VanDerWaalsContact C-N 3.26Å; G333-I335 PolarHBondContact O-N 2.86Å; G333-T336 WeakPolarHBondContact O-CB 3.29Å; G333-T336 PolarHBondContact O-N 3.14Å; G333-D337 PolarHBondContact O-N 3.2Å; G333-Q379 PolarHBondContact N-O 3.3Å
334	D	67.6	Low	54.8	Low	64 Å²	64	61.7 Å²	61.7	34%	0.342	34%	0.336	S	S	.	.	H	α-helix	trans	-55.8	-41.9	179.7	-61.3	-43.2	0	0	0	112.3	L330 T331 K338	L330-D334 HydrophobicContact CD2-CB 4.35Å; T331-D334 WeakPolarHBondContact CB-OD2 3.46Å; T331-D334 PolarHBondContact N-OD2 3.47Å; T331-D334 VanDerWaalsContact N-OD2 3.1Å; T331-D334 PolarHBondContact O-N 2.97Å; T331-D334 PolarHBondContact OG1-N 3.33Å; T331-D334 PolarHBondContact OG1-OD2 3.37Å; D334-K338 VanDerWaalsContact O-CB 3.27Å; D334-K338 WeakPolarHBondContact O-CB 3.48Å; D334-K338 VanDerWaalsContact O-CG 3.24Å; D334-K338 WeakPolarHBondContact O-CG 3.42Å; D334-K338 PolarHBondContact O-N 2.78Å
335	I	56.1	Low	54.9	Low	25 Å²	25	66.2 Å²	66.2	13%	0.128	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-44.2	179.8	-62	164.6	0	0	0	109.9	L330 T331 I332 G333 V339 M358 F362 V383	L330-I335 HydrophobicContact CB-CD1 3.98Å; L330-I335 HydrophobicContact CB-CG1 3.8Å; L330-I335 HydrophobicContact CD1-CG1 4.06Å; T331-I335 VanDerWaalsContact O-CG1 3.3Å; T331-I335 WeakPolarHBondContact O-CG1 3.44Å; T331-I335 PolarHBondContact O-N 3.22Å; T331-I335 VanDerWaalsContact O-N 3.08Å; I332-I335 PolarHBondContact O-N 2.94Å; G333-I335 VanDerWaalsContact C-N 3.26Å; G333-I335 PolarHBondContact O-N 2.86Å; I335-V339 WeakPolarHBondContact O-CB 3.48Å; I335-V339 WeakPolarHBondContact O-CG2 3.29Å; I335-V339 PolarHBondContact O-N 2.98Å; I335-M358 HydrophobicContact CG2-CE 3.6Å; I335-F362 HydrophobicContact CD1-CE2 3.68Å; I335-F362 HydrophobicContact CD1-CZ 3.7Å; I335-F362 HydrophobicContact CG2-CE2 4.48Å; I335-V383 HydrophobicContact CD1-CB 4.06Å; I335-V383 HydrophobicContact CD1-CG2 3.79Å
336	T	54.5	Low	54.7	Low	2 Å²	2	73.5 Å²	73.5	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-44.3	179.6	-56.4	0	0	0	0	111.1	I332 G333 V339 K340	I332-T336 WeakPolarHBondContact O-CB 3.28Å; I332-T336 PolarHBondContact O-N 3.17Å; I332-T336 PolarHBondContact O-OG1 3.39Å; G333-T336 WeakPolarHBondContact O-CB 3.29Å; G333-T336 PolarHBondContact O-N 3.14Å; T336-V339 PolarHBondContact O-N 2.97Å; T336-K340 HydrophobicContact CG2-CD 4.29Å; T336-K340 WeakPolarHBondContact O-CG 3.11Å; T336-K340 PolarHBondContact O-N 2.93Å
337	D	62.9	Low	55	Low	89 Å²	89	74.1 Å²	74.1	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-69.1	-45	-179.2	-70	-15.8	0	0	0	111.1	G333 V339 K340 E341	G333-D337 PolarHBondContact O-N 3.2Å; D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 3.33Å; D337-K340 PolarHBondContact O-N 3.33Å; D337-K340 VanDerWaalsContact O-N 3.1Å; D337-E341 WeakPolarHBondContact O-CB 3.29Å; D337-E341 WeakPolarHBondContact O-CG 3.4Å; D337-E341 PolarHBondContact O-N 2.89Å
338	K	56.6	Low	55.1	Low	99 Å²	99	73.7 Å²	73.7	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-58.8	-38.8	173.9	-77.2	178.5	-178.3	-179.2	0	112.4	D334 N342	D334-K338 VanDerWaalsContact O-CB 3.27Å; D334-K338 WeakPolarHBondContact O-CB 3.48Å; D334-K338 VanDerWaalsContact O-CG 3.24Å; D334-K338 WeakPolarHBondContact O-CG 3.42Å; D334-K338 PolarHBondContact O-N 2.78Å; K338-N342 WeakPolarHBondContact O-CB 3.41Å; K338-N342 PolarHBondContact O-N 2.65Å; K338-N342 PolarHBondContact O-ND2 3.49Å
339	V	51.6	Low	54.8	Low	42 Å²	42	79.1 Å²	79.1	26%	0.255	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-47.3	175.2	171.2	0	0	0	0	109.9	I335 T336 D337 E341 N342 V343 L353	I335-V339 WeakPolarHBondContact O-CB 3.48Å; I335-V339 WeakPolarHBondContact O-CG2 3.29Å; I335-V339 PolarHBondContact O-N 2.98Å; T336-V339 PolarHBondContact O-N 2.97Å; D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 3.33Å; V339-E341 PolarHBondContact O-N 3.49Å; V339-N342 PolarHBondContact O-N 3.09Å; V339-V343 HydrophobicContact CG1-CG2 4.29Å; V339-V343 WeakPolarHBondContact O-CG2 3.22Å; V339-V343 PolarHBondContact O-N 2.75Å; V339-L353 HydrophobicContact CG1-CD1 3.96Å
340	K	56.3	Low	54.6	Low	59 Å²	59	74.5 Å²	74.5	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-38.2	179.3	-73.5	175.3	-179.3	172.9	0	113.6	T336 D337 V343 L353	T336-K340 HydrophobicContact CG2-CD 4.29Å; T336-K340 WeakPolarHBondContact O-CG 3.11Å; T336-K340 PolarHBondContact O-N 2.93Å; D337-K340 PolarHBondContact O-N 3.33Å; D337-K340 VanDerWaalsContact O-N 3.1Å; K340-V343 PolarHBondContact O-N 3.04Å; K340-L353 VanDerWaalsContact CE-O 3.32Å; K340-L353 WeakPolarHBondContact CE-O 3.45Å; K340-L353 PolarHBondContact NZ-O 3.2Å
341	E	56.1	Low	54.2	Low	144 Å²	144	80 Å²	80	67%	0.673	39%	0.388	S	S	*	.	H	α-helix	trans	-67.6	-36	178.7	-76.7	-175.4	176.3	0	0	112.8	D337 V339 V343	D337-E341 WeakPolarHBondContact O-CB 3.29Å; D337-E341 WeakPolarHBondContact O-CG 3.4Å; D337-E341 PolarHBondContact O-N 2.89Å; V339-E341 PolarHBondContact O-N 3.49Å; E341-V343 VanDerWaalsContact C-N 3.33Å
342	N	47.5	Very low	53.3	Low	122 Å²	122	88.6 Å²	88.6	65%	0.652	42%	0.418	S	S	*	.	H	α-helix	trans	-82.2	-14.3	-179.5	-74.3	-54.4	0	0	0	113.1	K338 V339 S344	K338-N342 WeakPolarHBondContact O-CB 3.41Å; K338-N342 PolarHBondContact O-N 2.65Å; K338-N342 PolarHBondContact O-ND2 3.49Å; V339-N342 PolarHBondContact O-N 3.09Å; N342-S344 PolarHBondContact O-N 2.73Å
343	V	47.1	Very low	52.8	Low	23 Å²	23	90.9 Å²	90.9	14%	0.139	43%	0.43	C	S	.	.	S	Bend	trans	-80.7	122.2	-177.5	172.4	0	0	0	0	109.9	V339 K340 E341 E347 A350	V339-V343 HydrophobicContact CG1-CG2 4.29Å; V339-V343 WeakPolarHBondContact O-CG2 3.22Å; V339-V343 PolarHBondContact O-N 2.75Å; K340-V343 PolarHBondContact O-N 3.04Å; E341-V343 VanDerWaalsContact C-N 3.33Å; V343-E347 HydrophobicContact CG1-CB 3.28Å; V343-E347 HydrophobicContact CG1-CG 4.35Å; V343-E347 WeakPolarHBondContact CG1-OE2 3.49Å; V343-A350 HydrophobicContact CB-CB 3.69Å; V343-A350 HydrophobicContact CG1-CB 3.54Å; V343-A350 HydrophobicContact CG2-CB 3.33Å
344	S	48.8	Very low	52.7	Low	59 Å²	59	93.7 Å²	93.7	41%	0.413	45%	0.446	S	S	.	.			trans	-57.9	143.3	174.9	77.3	0	0	0	0	109.6	N342 R346 E347	N342-S344 PolarHBondContact O-N 2.73Å; S344-R346 PolarHBondContact O-N 2.79Å; S344-E347 PolarHBondContact O-N 2.77Å; S344-E347 PolarHBondContact OG-OE1 2.86Å
345	Q	45.4	Very low	52.8	Low	191 Å²	191	92 Å²	92	89%	0.893	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-16.2	179.5	-81.3	-175.8	-18.4	0	0	114.7
346	R	37.4	Very low	53.5	Low	238 Å²	238	95.3 Å²	95.3	90%	0.898	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-20.1	178.2	-72.9	-173.4	176.4	-175.6	-0.5	114.3	S344 A348	S344-R346 PolarHBondContact O-N 2.79Å; R346-A348 VanDerWaalsContact C-N 3.34Å; R346-A348 PolarHBondContact O-N 3.47Å; R346-A348 VanDerWaalsContact O-N 3.14Å
347	E	45.4	Very low	54	Low	87 Å²	87	98.1 Å²	98.1	41%	0.407	47%	0.472	S	S	.	.			trans	-93.1	72.6	-179	-80.7	158.1	-126.3	0	0	109.8	V343 S344 K349 A350	V343-E347 HydrophobicContact CG1-CB 3.28Å; V343-E347 HydrophobicContact CG1-CG 4.35Å; V343-E347 WeakPolarHBondContact CG1-OE2 3.49Å; S344-E347 PolarHBondContact O-N 2.77Å; S344-E347 PolarHBondContact OG-OE1 2.86Å; E347-K349 PolarHBondContact O-N 3.46Å; E347-A350 PolarHBondContact O-N 3.41Å; E347-A350 VanDerWaalsContact O-N 3.17Å
348	A	46.8	Very low	54	Low	62 Å²	62	94.8 Å²	94.8	51%	0.512	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-19.4	178.3	0	0	0	0	0	113.4	R346 W352	R346-A348 VanDerWaalsContact C-N 3.34Å; R346-A348 PolarHBondContact O-N 3.47Å; R346-A348 VanDerWaalsContact O-N 3.14Å; A348-W352 PolarHBondContact O-NE1 2.75Å; A348-W352 VanDerWaalsContact O-NE1 3.08Å
349	K	45.8	Very low	54.5	Low	170 Å²	170	93.9 Å²	93.9	74%	0.739	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.9	-178.2	-67.9	-176.7	-177.7	174.3	0	114	E347 W351 W352	E347-K349 PolarHBondContact O-N 3.46Å; K349-W351 PolarHBondContact O-N 2.82Å; K349-W352 WeakPolarHBondContact O-CB 3.34Å; K349-W352 PolarHBondContact O-N 3.45Å
350	A	49.9	Very low	55.3	Low	10 Å²	10	97 Å²	97	8%	0.083	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-68.5	-25	178.5	0	0	0	0	0	112.8	V343 E347 W352 L353	V343-A350 HydrophobicContact CB-CB 3.69Å; V343-A350 HydrophobicContact CG1-CB 3.54Å; V343-A350 HydrophobicContact CG2-CB 3.33Å; E347-A350 PolarHBondContact O-N 3.41Å; E347-A350 VanDerWaalsContact O-N 3.17Å; A350-W352 PolarHBondContact O-N 3.49Å; A350-L353 HydrophobicContact CB-CD1 4.49Å; A350-L353 WeakPolarHBondContact O-CB 3.31Å; A350-L353 PolarHBondContact O-N 3Å
351	W	52.8	Low	55.4	Low	162 Å²	162	99.5 Å²	99.5	61%	0.614	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.5	172.6	-69.3	91.5	0	0	0	113.1	K349 L353	K349-W351 PolarHBondContact O-N 2.82Å; W351-L353 VanDerWaalsContact C-N 3.35Å
352	W	55.1	Low	55.5	Low	204 Å²	204	93.6 Å²	93.6	77%	0.773	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-86.3	-5.9	175.7	-55.3	73.9	0	0	0	112.9	A348 K349 A350 T354	A348-W352 PolarHBondContact O-NE1 2.75Å; A348-W352 VanDerWaalsContact O-NE1 3.08Å; K349-W352 WeakPolarHBondContact O-CB 3.34Å; K349-W352 PolarHBondContact O-N 3.45Å; A350-W352 PolarHBondContact O-N 3.49Å; W352-T354 PolarHBondContact O-N 2.91Å; W352-T354 VanDerWaalsContact O-N 3.08Å
353	L	56.2	Low	56.3	Low	49 Å²	49	90.5 Å²	90.5	26%	0.257	43%	0.43	S	S	.	.			trans	-67.1	109.9	171.4	-95.8	132	0	0	0	109.4	V339 K340 A350 W351 M358	V339-L353 HydrophobicContact CG1-CD1 3.96Å; K340-L353 VanDerWaalsContact CE-O 3.32Å; K340-L353 WeakPolarHBondContact CE-O 3.45Å; K340-L353 PolarHBondContact NZ-O 3.2Å; A350-L353 HydrophobicContact CB-CD1 4.49Å; A350-L353 WeakPolarHBondContact O-CB 3.31Å; A350-L353 PolarHBondContact O-N 3Å; W351-L353 VanDerWaalsContact C-N 3.35Å; L353-M358 HydrophobicContact CD2-CG 3.64Å; L353-M358 HydrophobicContact CD2-SD 3.2Å; L353-M358 WeakPolarHBondContact CD2-SD 3.44Å
354	T	65.9	Low	56.6	Low	67 Å²	67	96.5 Å²	96.5	41%	0.411	46%	0.456	S	S	.	.			trans	-95.7	150.2	171.5	59.7	0	0	0	0	109.9	W352 E356 S357 M358	W352-T354 PolarHBondContact O-N 2.91Å; W352-T354 VanDerWaalsContact O-N 3.08Å; T354-E356 PolarHBondContact O-N 3.16Å; T354-S357 WeakPolarHBondContact O-CB 3.34Å; T354-S357 PolarHBondContact O-N 2.98Å; T354-S357 PolarHBondContact OG1-N 3.48Å; T354-S357 PolarHBondContact OG1-OG 3.4Å; T354-M358 PolarHBondContact O-N 3.03Å; T354-M358 VanDerWaalsContact O-N 3.16Å
355	V	69.6	Low	56.6	Low	28 Å²	28	95.5 Å²	95.5	17%	0.17	45%	0.446	C	S	.	.	H	α-helix	trans	-52	-40.2	173.1	177.6	0	0	0	0	110.7	I332 S357 M358 Y359 M378 Q379	I332-V355 HydrophobicContact CG2-CB 4.43Å; I332-V355 HydrophobicContact CG2-CG1 3.73Å; V355-S357 VanDerWaalsContact C-N 3.35Å; V355-S357 PolarHBondContact O-N 3.24Å; V355-M358 PolarHBondContact O-N 3.3Å; V355-Y359 PolarHBondContact O-N 3.12Å; V355-M378 VanDerWaalsContact CG1-C 3.5Å; V355-M378 HydrophobicContact CG1-CB 3.55Å; V355-Q379 HydrophobicContact CB-CG 4.28Å; V355-Q379 HydrophobicContact CG1-CB 4.41Å; V355-Q379 HydrophobicContact CG1-CG 3.77Å; V355-Q379 HydrophobicContact CG2-CG 3.62Å
356	E	72.7	Confident	56.6	Low	95 Å²	95	91 Å²	91	44%	0.444	43%	0.433	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.9	-169.7	-171.3	166.9	0	0	112.7	T354 Y359 K360 M378	T354-E356 PolarHBondContact O-N 3.16Å; E356-Y359 PolarHBondContact O-N 3Å; E356-K360 WeakPolarHBondContact O-CG 3.28Å; E356-K360 PolarHBondContact O-N 2.82Å; E356-K360 VanDerWaalsContact OE1-CE 3.26Å; E356-K360 WeakPolarHBondContact OE1-CE 3.49Å; E356-K360 IonicContact OE1-NZ 2.7Å; E356-K360 PolarHBondContact OE1-NZ 3.39Å; E356-M378 HydrophobicContact CB-SD 4.2Å; E356-M378 HydrophobicContact CG-CE 4.44Å; E356-M378 HydrophobicContact CG-SD 4.14Å
357	S	63.7	Low	57.3	Low	60 Å²	60	87.6 Å²	87.6	42%	0.42	43%	0.428	S	S	.	.	H	α-helix	trans	-66.7	-40.1	178.2	-57.9	0	0	0	0	111.2	T354 V355 F361	T354-S357 WeakPolarHBondContact O-CB 3.34Å; T354-S357 PolarHBondContact O-N 2.98Å; T354-S357 PolarHBondContact OG1-N 3.48Å; T354-S357 PolarHBondContact OG1-OG 3.4Å; V355-S357 VanDerWaalsContact C-N 3.35Å; V355-S357 PolarHBondContact O-N 3.24Å; S357-F361 WeakPolarHBondContact O-CB 3.13Å; S357-F361 PolarHBondContact O-N 3.29Å
358	M	62.4	Low	57.7	Low	19 Å²	19	85 Å²	85	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-67.5	-41.1	175.7	-72.1	-56.9	-60.9	0	0	112.2	I332 I335 L353 T354 V355 F361 F362	I332-M358 HydrophobicContact CG2-CB 3.59Å; I335-M358 HydrophobicContact CG2-CE 3.6Å; L353-M358 HydrophobicContact CD2-CG 3.64Å; L353-M358 HydrophobicContact CD2-SD 3.2Å; L353-M358 WeakPolarHBondContact CD2-SD 3.44Å; T354-M358 PolarHBondContact O-N 3.03Å; T354-M358 VanDerWaalsContact O-N 3.16Å; V355-M358 PolarHBondContact O-N 3.3Å; M358-F361 HydrophobicContact CE-CD1 4.36Å; M358-F361 WeakPolarHBondContact O-CB 3Å; M358-F361 PolarHBondContact O-N 2.83Å; M358-F362 HydrophobicContact CE-CD2 4.23Å; M358-F362 HydrophobicContact CE-CE2 3.36Å; M358-F362 HydrophobicContact CE-CZ 3.88Å; M358-F362 WeakPolarHBondContact O-CD2 3.45Å; M358-F362 PolarHBondContact O-N 2.79Å
359	Y	68.1	Low	58	Low	81 Å²	81	86.4 Å²	86.4	32%	0.318	41%	0.409	S	S	.	.	H	α-helix	trans	-59.7	-49.2	174	176.7	-101.3	0	0	0	111.8	I332 V355 E356 F361 F362 S363 L371 M378 I381	I332-Y359 HydrophobicContact CD1-CD2 3.66Å; I332-Y359 HydrophobicContact CD1-CG 4.16Å; V355-Y359 PolarHBondContact O-N 3.12Å; E356-Y359 PolarHBondContact O-N 3Å; Y359-F361 VanDerWaalsContact C-N 3.25Å; Y359-F361 PolarHBondContact O-N 3.07Å; Y359-F362 PolarHBondContact O-N 2.91Å; Y359-S363 WeakPolarHBondContact O-CB 3.42Å; Y359-S363 PolarHBondContact O-N 3.32Å; Y359-L371 HydrophobicContact CD2-CD1 4.09Å; Y359-L371 HydrophobicContact CE2-CD1 3.77Å; Y359-M378 HydrophobicContact CD1-CE 4.38Å; Y359-M378 HydrophobicContact CD1-SD 4.03Å; Y359-M378 HydrophobicContact CG-CG 4.49Å; Y359-M378 HydrophobicContact CG-SD 4.08Å; Y359-I381 HydrophobicContact CD2-CD1 3.49Å; Y359-I381 VanDerWaalsContact CD2-CD1 3.49Å; Y359-I381 HydrophobicContact CD2-CG2 4.33Å; Y359-I381 HydrophobicContact CE2-CD1 3.37Å; Y359-I381 HydrophobicContact CE2-CG2 4.3Å; Y359-I381 HydrophobicContact CG-CD1 4.47Å
360	K	69.2	Low	59.1	Low	106 Å²	106	81.6 Å²	81.6	46%	0.461	39%	0.389	S	S	.	.	H	α-helix	trans	-58.5	-39.7	174.5	-73.7	175.5	-173.8	165.8	0	111.2	E356 S363 H364	E356-K360 WeakPolarHBondContact O-CG 3.28Å; E356-K360 PolarHBondContact O-N 2.82Å; E356-K360 VanDerWaalsContact OE1-CE 3.26Å; E356-K360 WeakPolarHBondContact OE1-CE 3.49Å; E356-K360 IonicContact OE1-NZ 2.7Å; E356-K360 PolarHBondContact OE1-NZ 3.39Å; K360-S363 PolarHBondContact O-OG 3.31Å; K360-H364 PolarHBondContact O-N 3.01Å; K360-H364 PolarHBondContact O-ND1 2.91Å
361	F	58.2	Low	60.1	Low	113 Å²	113	83.5 Å²	83.5	50%	0.496	40%	0.398	S	S	.	.	H	α-helix	trans	-59.3	-54.6	176.2	172.2	-102.4	0	0	0	111.6	S357 M358 Y359 S363 H364 L365	S357-F361 WeakPolarHBondContact O-CB 3.13Å; S357-F361 PolarHBondContact O-N 3.29Å; M358-F361 HydrophobicContact CE-CD1 4.36Å; M358-F361 WeakPolarHBondContact O-CB 3Å; M358-F361 PolarHBondContact O-N 2.83Å; Y359-F361 VanDerWaalsContact C-N 3.25Å; Y359-F361 PolarHBondContact O-N 3.07Å; F361-S363 VanDerWaalsContact C-N 3.32Å; F361-S363 PolarHBondContact O-N 3.48Å; F361-H364 PolarHBondContact O-N 3.5Å; F361-L365 HydrophobicContact CD1-CD1 4.26Å; F361-L365 HydrophobicContact CE1-CD1 3.7Å; F361-L365 HydrophobicContact CE1-CG 4.38Å; F361-L365 HydrophobicContact CE2-CD2 4.3Å; F361-L365 HydrophobicContact CZ-CD1 3.99Å; F361-L365 HydrophobicContact CZ-CD2 4.1Å; F361-L365 HydrophobicContact CZ-CG 4.38Å
362	F	58.1	Low	61.2	Low	19 Å²	19	78.5 Å²	78.5	8%	0.083	38%	0.383	C	S	.	.	H	α-helix	trans	-66.9	-30.8	-178.9	-72.5	-68	0	0	0	113.5	I332 I335 M358 Y359 H364 L365 Y369 L371 V383	I332-F362 HydrophobicContact CG1-CD2 4.41Å; I335-F362 HydrophobicContact CD1-CE2 3.68Å; I335-F362 HydrophobicContact CD1-CZ 3.7Å; I335-F362 HydrophobicContact CG2-CE2 4.48Å; M358-F362 HydrophobicContact CE-CD2 4.23Å; M358-F362 HydrophobicContact CE-CE2 3.36Å; M358-F362 HydrophobicContact CE-CZ 3.88Å; M358-F362 WeakPolarHBondContact O-CD2 3.45Å; M358-F362 PolarHBondContact O-N 2.79Å; Y359-F362 PolarHBondContact O-N 2.91Å; F362-H364 PolarHBondContact O-N 3.38Å; F362-L365 HydrophobicContact CD1-CD1 3.69Å; F362-L365 HydrophobicContact CE1-CD1 4.09Å; F362-L365 PolarHBondContact O-N 2.94Å; F362-Y369 HydrophobicContact CD1-CD1 4.27Å; F362-Y369 HydrophobicContact CD1-CG 4.47Å; F362-Y369 HydrophobicContact CE1-CD1 4.21Å; F362-Y369 HydrophobicContact CE1-CE1 4.37Å; F362-L371 HydrophobicContact CB-CD1 4.08Å; F362-L371 HydrophobicContact CB-CD2 3.67Å; F362-L371 HydrophobicContact CB-CG 4.2Å; F362-L371 HydrophobicContact CG-CD2 4.39Å; F362-V383 HydrophobicContact CB-CG2 4.49Å; F362-V383 HydrophobicContact CD1-CG1 3.53Å; F362-V383 HydrophobicContact CD1-CG2 4.17Å; F362-V383 HydrophobicContact CD2-CG1 4.47Å; F362-V383 HydrophobicContact CD2-CG2 3.61Å; F362-V383 HydrophobicContact CE1-CG1 3.58Å; F362-V383 HydrophobicContact CE1-CG2 4.36Å; F362-V383 HydrophobicContact CE2-CG1 4.46Å; F362-V383 HydrophobicContact CE2-CG2 3.77Å; F362-V383 HydrophobicContact CG-CG1 4.05Å; F362-V383 HydrophobicContact CG-CG2 3.84Å; F362-V383 HydrophobicContact CZ-CG1 4.07Å; F362-V383 HydrophobicContact CZ-CG2 4.19Å
363	S	63.9	Low	61.9	Low	58 Å²	58	71.1 Å²	71.1	41%	0.406	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-17.6	178	79.5	0	0	0	0	113.2	Y359 K360 F361	Y359-S363 WeakPolarHBondContact O-CB 3.42Å; Y359-S363 PolarHBondContact O-N 3.32Å; K360-S363 PolarHBondContact O-OG 3.31Å; F361-S363 VanDerWaalsContact C-N 3.32Å; F361-S363 PolarHBondContact O-N 3.48Å
364	H	53.9	Low	62.2	Low	148 Å²	148	79.4 Å²	79.4	69%	0.685	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-4.3	178.7	-68.8	72.7	0	0	0	113	K360 F361 F362 P366	K360-H364 PolarHBondContact O-N 3.01Å; K360-H364 PolarHBondContact O-ND1 2.91Å; F361-H364 PolarHBondContact O-N 3.5Å; F362-H364 PolarHBondContact O-N 3.38Å; H364-P366 WeakPolarHBondContact O-CD 3.26Å
365	L	47.6	Very low	62.3	Low	38 Å²	38	79.1 Å²	79.1	20%	0.199	40%	0.402	C	S	.	.			trans	-77.9	126.5	179.8	-71.3	-179.8	0	0	0	111	F361 F362 Y369	F361-L365 HydrophobicContact CD1-CD1 4.26Å; F361-L365 HydrophobicContact CE1-CD1 3.7Å; F361-L365 HydrophobicContact CE1-CG 4.38Å; F361-L365 HydrophobicContact CE2-CD2 4.3Å; F361-L365 HydrophobicContact CZ-CD1 3.99Å; F361-L365 HydrophobicContact CZ-CD2 4.1Å; F361-L365 HydrophobicContact CZ-CG 4.38Å; F362-L365 HydrophobicContact CD1-CD1 3.69Å; F362-L365 HydrophobicContact CE1-CD1 4.09Å; F362-L365 PolarHBondContact O-N 2.94Å; L365-Y369 HydrophobicContact CB-CD2 4.08Å; L365-Y369 HydrophobicContact CD1-CD2 3.69Å; L365-Y369 HydrophobicContact CD1-CE2 4Å; L365-Y369 HydrophobicContact CD1-CG 4.05Å
366	P	46.5	Very low	62.4	Low	97 Å²	97	86.4 Å²	86.4	63%	0.63	44%	0.44	S	S	*	.			trans	-76	137.8	177.5	-10.9	26.7	0	0	0	112.5	H364 N368	H364-P366 WeakPolarHBondContact O-CD 3.26Å; P366-N368 VanDerWaalsContact C-N 3.3Å; P366-N368 PolarHBondContact O-N 3.34Å
367	Q	52.3	Low	62.8	Low	167 Å²	167	85.3 Å²	85.3	78%	0.78	44%	0.437	S	S	*	.	S	Bend	trans	72.4	-29.8	149.4	-60.2	176.5	3.6	0	0	119.3
368	N	52.1	Low	63.5	Low	31 Å²	31	85.8 Å²	85.8	17%	0.166	43%	0.434	C	S	.	.	S	Bend	trans	-110.7	-10.2	-175.1	-57.8	-0.4	0	0	0	113.3	P366 F385 R386 L388	P366-N368 VanDerWaalsContact C-N 3.3Å; P366-N368 PolarHBondContact O-N 3.34Å; N368-F385 HydrophobicContact CB-CD2 4.19Å; N368-F385 HydrophobicContact CB-CE2 3.91Å; N368-F385 CarbonylContact O-C 3.56Å; N368-F385 WeakPolarHBondContact O-CA 3.43Å; N368-R386 PolarHBondContact O-N 2.9Å; N368-L388 WeakPolarHBondContact OD1-CD1 3.46Å; N368-L388 VanDerWaalsContact OD1-CD2 3.26Å; N368-L388 WeakPolarHBondContact OD1-CD2 3.12Å; N368-L388 WeakPolarHBondContact OD1-CG 3.42Å
369	Y	54.3	Low	64.2	Low	92 Å²	92	89.4 Å²	89.4	36%	0.361	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.6	-179.7	-64.7	-87.7	0	0	0	108.5	F362 L365 V383 Q384 F385	F362-Y369 HydrophobicContact CD1-CD1 4.27Å; F362-Y369 HydrophobicContact CD1-CG 4.47Å; F362-Y369 HydrophobicContact CE1-CD1 4.21Å; F362-Y369 HydrophobicContact CE1-CE1 4.37Å; L365-Y369 HydrophobicContact CB-CD2 4.08Å; L365-Y369 HydrophobicContact CD1-CD2 3.69Å; L365-Y369 HydrophobicContact CD1-CE2 4Å; L365-Y369 HydrophobicContact CD1-CG 4.05Å; Y369-V383 HydrophobicContact CD1-CG1 3.73Å; Y369-V383 HydrophobicContact CE1-CG1 4.49Å; Y369-Q384 CarbonylContact C-O 3.48Å; Y369-Q384 WeakPolarHBondContact CA-O 3.4Å; Y369-F385 HydrophobicContact CD1-CB 4.31Å; Y369-F385 AromaticContact CD1-CD2 3.98Å; Y369-F385 HydrophobicContact CD1-CD2 3.98Å; Y369-F385 HydrophobicContact CD2-CD2 4.38Å; Y369-F385 HydrophobicContact CE1-CB 4.04Å; Y369-F385 AromaticContact CE1-CD2 3.4Å; Y369-F385 HydrophobicContact CE1-CD2 3.4Å; Y369-F385 VanDerWaalsContact CE1-CD2 3.4Å; Y369-F385 HydrophobicContact CE1-CE2 4.23Å; Y369-F385 HydrophobicContact CE1-CG 4.11Å; Y369-F385 AromaticContact CE2-CD2 3.85Å; Y369-F385 HydrophobicContact CE2-CD2 3.85Å; Y369-F385 AromaticContact CE2-CE2 3.97Å; Y369-F385 HydrophobicContact CE2-CE2 3.97Å; Y369-F385 HydrophobicContact CG-CD2 4.45Å; Y369-F385 AromaticContact CZ-CD2 3.33Å; Y369-F385 AromaticContact CZ-CE2 3.67Å
370	E	67.8	Low	64.7	Low	70 Å²	70	89.6 Å²	89.6	33%	0.327	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.2	172.3	-168.5	179.9	-137.2	0	0	108.7	N372 Q384 R386	E370-N372 PolarHBondContact OE2-ND2 3.19Å; E370-Q384 HydrophobicContact CB-CB 4.44Å; E370-Q384 PolarHBondContact N-O 2.98Å; E370-Q384 PolarHBondContact O-N 2.97Å; E370-Q384 PolarHBondContact OE2-OE1 3.39Å; E370-R386 IonicContact OE1-NH1 3.38Å; E370-R386 IonicContact OE1-NH2 3.52Å; E370-R386 IonicContact OE2-CZ 2.68Å; E370-R386 IonicContact OE2-NE 3.36Å; E370-R386 IonicContact OE2-NH1 2.99Å; E370-R386 IonicContact OE2-NH2 3.38Å; E370-R386 PolarHBondContact OE2-NH2 3.34Å
371	L	72.4	Confident	65.1	Low	49 Å²	49	85.1 Å²	85.1	26%	0.257	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.8	173.7	-68	-179.5	0	0	0	109.1	Y359 F362 I381 V382 V383	Y359-L371 HydrophobicContact CD2-CD1 4.09Å; Y359-L371 HydrophobicContact CE2-CD1 3.77Å; F362-L371 HydrophobicContact CB-CD1 4.08Å; F362-L371 HydrophobicContact CB-CD2 3.67Å; F362-L371 HydrophobicContact CB-CG 4.2Å; F362-L371 HydrophobicContact CG-CD2 4.39Å; L371-I381 HydrophobicContact CB-CG2 4.14Å; L371-I381 HydrophobicContact CD2-CG2 4Å; L371-V382 WeakPolarHBondContact CA-O 3.48Å; L371-V383 HydrophobicContact CD2-CB 4.38Å; L371-V383 HydrophobicContact CD2-CG2 3.74Å
372	N	75.6	Confident	65.9	Low	58 Å²	58	81.5 Å²	81.5	31%	0.31	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.7	-177.3	-71.5	-40.8	0	0	0	110.5	E370 V382	E370-N372 PolarHBondContact OE2-ND2 3.19Å; N372-V382 HydrophobicContact CB-CB 4.4Å; N372-V382 PolarHBondContact N-O 2.81Å; N372-V382 PolarHBondContact O-N 2.77Å
373	G	68.9	Low	66.3	Low	48 Å²	48	81 Å²	81	50%	0.495	42%	0.424	S	S	.	.			trans	112	111.5	-177.8	0	0	0	0	0	112.4	T375	G373-T375 PolarHBondContact O-N 3.41Å
374	K	62.4	Low	66.3	Low	224 Å²	224	79.8 Å²	79.8	97%	0.974	41%	0.412	S	S	*	.			trans	-89.8	80.4	170.7	-71.2	-176.7	179.5	180	0	108.4
375	T	68	Low	66.3	Low	60 Å²	60	76.3 Å²	76.3	37%	0.368	39%	0.394	S	S	.	.			trans	-119.6	143.2	175	55.3	0	0	0	0	109.2	G373 D377 N380	G373-T375 PolarHBondContact O-N 3.41Å; T375-D377 PolarHBondContact O-N 3.27Å; T375-D377 PolarHBondContact OG1-O 2.94Å; T375-N380 HydrophobicContact CG2-CB 4.25Å
376	D	72.3	Confident	66.5	Low	181 Å²	181	80.6 Å²	80.6	97%	0.968	41%	0.408	S	S	*	.	S	Bend	trans	-68.3	-23.3	171.5	-64.8	-30.1	0	0	0	111
377	D	80.4	Confident	66.5	Low	73 Å²	73	78.8 Å²	78.8	39%	0.39	40%	0.396	S	S	.	.	S	Bend	trans	-88.4	114.3	174	-172.5	-3.3	0	0	0	111.3	T375 Q379 N380	T375-D377 PolarHBondContact O-N 3.27Å; T375-D377 PolarHBondContact OG1-O 2.94Å; D377-Q379 PolarHBondContact O-N 3.39Å; D377-Q379 WeakPolarHBondContact OD1-CB 3.39Å; D377-Q379 WeakPolarHBondContact OD1-CG 3.32Å; D377-Q379 PolarHBondContact OD1-N 2.98Å; D377-N380 PolarHBondContact O-N 3.3Å; D377-N380 PolarHBondContact OD2-ND2 3.24Å
378	M	78.2	Confident	66	Low	69 Å²	69	76.7 Å²	76.7	34%	0.34	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-64.8	-19.9	179.1	-65.5	-176.4	-169.8	0	0	113.3	V355 E356 Y359 N380 I381	V355-M378 VanDerWaalsContact CG1-C 3.5Å; V355-M378 HydrophobicContact CG1-CB 3.55Å; E356-M378 HydrophobicContact CB-SD 4.2Å; E356-M378 HydrophobicContact CG-CE 4.44Å; E356-M378 HydrophobicContact CG-SD 4.14Å; Y359-M378 HydrophobicContact CD1-CE 4.38Å; Y359-M378 HydrophobicContact CD1-SD 4.03Å; Y359-M378 HydrophobicContact CG-CG 4.49Å; Y359-M378 HydrophobicContact CG-SD 4.08Å; M378-N380 PolarHBondContact O-N 3.35Å; M378-I381 HydrophobicContact CB-CD1 4.24Å; M378-I381 HydrophobicContact CG-CD1 4.25Å; M378-I381 PolarHBondContact O-N 3.35Å
379	Q	77.9	Confident	65.1	Low	95 Å²	95	82 Å²	82	44%	0.444	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-62.2	-36.3	179.1	-70.7	-176	18.1	0	0	111.9	T331 I332 G333 V355 D377 I381	T331-Q379 WeakPolarHBondContact CB-O 3.49Å; I332-Q379 PolarHBondContact N-O 3.4Å; G333-Q379 PolarHBondContact N-O 3.3Å; V355-Q379 HydrophobicContact CB-CG 4.28Å; V355-Q379 HydrophobicContact CG1-CB 4.41Å; V355-Q379 HydrophobicContact CG1-CG 3.77Å; V355-Q379 HydrophobicContact CG2-CG 3.62Å; D377-Q379 PolarHBondContact O-N 3.39Å; D377-Q379 WeakPolarHBondContact OD1-CB 3.39Å; D377-Q379 WeakPolarHBondContact OD1-CG 3.32Å; D377-Q379 PolarHBondContact OD1-N 2.98Å; Q379-I381 VanDerWaalsContact C-N 3.32Å; Q379-I381 PolarHBondContact O-N 3.16Å
380	N	79.8	Confident	64	Low	85 Å²	85	84.5 Å²	84.5	46%	0.455	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-88.9	2.6	-173.8	-61.1	-49.9	0	0	0	113.6	T375 D377 M378 V382	T375-N380 HydrophobicContact CG2-CB 4.25Å; D377-N380 PolarHBondContact O-N 3.3Å; D377-N380 PolarHBondContact OD2-ND2 3.24Å; M378-N380 PolarHBondContact O-N 3.35Å; N380-V382 PolarHBondContact O-N 3.02Å
381	I	75.8	Confident	62.2	Low	12 Å²	12	83.7 Å²	83.7	6%	0.062	44%	0.443	C	S	.	.			trans	-70.7	123.2	175.9	-62.7	177.8	0	0	0	108.1	T331 I332 Y359 L371 M378 Q379	T331-I381 CarbonylContact C-O 3.59Å; T331-I381 WeakPolarHBondContact CA-O 3.23Å; I332-I381 HydrophobicContact CD1-CB 3.95Å; I332-I381 HydrophobicContact CD1-CG2 4.09Å; I332-I381 HydrophobicContact CG1-CB 4.37Å; I332-I381 PolarHBondContact N-O 3.32Å; Y359-I381 HydrophobicContact CD2-CD1 3.49Å; Y359-I381 VanDerWaalsContact CD2-CD1 3.49Å; Y359-I381 HydrophobicContact CD2-CG2 4.33Å; Y359-I381 HydrophobicContact CE2-CD1 3.37Å; Y359-I381 HydrophobicContact CE2-CG2 4.3Å; Y359-I381 HydrophobicContact CG-CD1 4.47Å; L371-I381 HydrophobicContact CB-CG2 4.14Å; L371-I381 HydrophobicContact CD2-CG2 4Å; M378-I381 HydrophobicContact CB-CD1 4.24Å; M378-I381 HydrophobicContact CG-CD1 4.25Å; M378-I381 PolarHBondContact O-N 3.35Å; Q379-I381 VanDerWaalsContact C-N 3.32Å; Q379-I381 PolarHBondContact O-N 3.16Å
382	V	76	Confident	60.3	Low	38 Å²	38	86.6 Å²	86.6	23%	0.23	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.8	-179.3	-178.7	0	0	0	0	109.3	E329 T331 L371 N372 N380	E329-V382 HydrophobicContact CB-CG1 3.92Å; E329-V382 HydrophobicContact CG-CG1 4.17Å; T331-V382 HydrophobicContact CG2-CG2 4.29Å; L371-V382 WeakPolarHBondContact CA-O 3.48Å; N372-V382 HydrophobicContact CB-CB 4.4Å; N372-V382 PolarHBondContact N-O 2.81Å; N372-V382 PolarHBondContact O-N 2.77Å; N380-V382 PolarHBondContact O-N 3.02Å
383	V	65.3	Low	58.5	Low	8 Å²	8	90 Å²	90	5%	0.048	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.8	168.6	-176.3	0	0	0	0	107.7	E329 L330 I332 I335 F362 Y369 L371	E329-V383 WeakPolarHBondContact CA-O 3.38Å; L330-V383 PolarHBondContact N-O 2.9Å; L330-V383 VanDerWaalsContact N-O 3.11Å; L330-V383 PolarHBondContact O-N 2.72Å; I332-V383 HydrophobicContact CG1-CG2 3.78Å; I335-V383 HydrophobicContact CD1-CB 4.06Å; I335-V383 HydrophobicContact CD1-CG2 3.79Å; F362-V383 HydrophobicContact CB-CG2 4.49Å; F362-V383 HydrophobicContact CD1-CG1 3.53Å; F362-V383 HydrophobicContact CD1-CG2 4.17Å; F362-V383 HydrophobicContact CD2-CG1 4.47Å; F362-V383 HydrophobicContact CD2-CG2 3.61Å; F362-V383 HydrophobicContact CE1-CG1 3.58Å; F362-V383 HydrophobicContact CE1-CG2 4.36Å; F362-V383 HydrophobicContact CE2-CG1 4.46Å; F362-V383 HydrophobicContact CE2-CG2 3.77Å; F362-V383 HydrophobicContact CG-CG1 4.05Å; F362-V383 HydrophobicContact CG-CG2 3.84Å; F362-V383 HydrophobicContact CZ-CG1 4.07Å; F362-V383 HydrophobicContact CZ-CG2 4.19Å; Y369-V383 HydrophobicContact CD1-CG1 3.73Å; Y369-V383 HydrophobicContact CE1-CG1 4.49Å; L371-V383 HydrophobicContact CD2-CB 4.38Å; L371-V383 HydrophobicContact CD2-CG2 3.74Å
384	Q	65.6	Low	56.8	Low	33 Å²	33	90.1 Å²	90.1	15%	0.154	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.7	174.3	-174.2	-179.1	57.8	0	0	110.3	N328 E329 Y369 E370 R386	N328-Q384 CarbonylContact O-C 3.55Å; N328-Q384 VanDerWaalsContact O-CA 3.29Å; N328-Q384 WeakPolarHBondContact O-CA 3.39Å; E329-Q384 HydrophobicContact CG-CB 4Å; E329-Q384 HydrophobicContact CG-CG 3.77Å; E329-Q384 PolarHBondContact OE1-NE2 2.85Å; Y369-Q384 CarbonylContact C-O 3.48Å; Y369-Q384 WeakPolarHBondContact CA-O 3.4Å; E370-Q384 HydrophobicContact CB-CB 4.44Å; E370-Q384 PolarHBondContact N-O 2.98Å; E370-Q384 PolarHBondContact O-N 2.97Å; E370-Q384 PolarHBondContact OE2-OE1 3.39Å; Q384-R386 HydrophobicContact CG-CG 4.42Å; Q384-R386 VanDerWaalsContact OE1-NH2 3.12Å
385	F	53.1	Low	55.3	Low	74 Å²	74	84.4 Å²	84.4	33%	0.325	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118	170.2	-176.9	-113.5	0	0	0	111.1	N328 N368 Y369 P387	N328-F385 PolarHBondContact O-N 3.3Å; N368-F385 HydrophobicContact CB-CD2 4.19Å; N368-F385 HydrophobicContact CB-CE2 3.91Å; N368-F385 CarbonylContact O-C 3.56Å; N368-F385 WeakPolarHBondContact O-CA 3.43Å; Y369-F385 HydrophobicContact CD1-CB 4.31Å; Y369-F385 AromaticContact CD1-CD2 3.98Å; Y369-F385 HydrophobicContact CD1-CD2 3.98Å; Y369-F385 HydrophobicContact CD2-CD2 4.38Å; Y369-F385 HydrophobicContact CE1-CB 4.04Å; Y369-F385 AromaticContact CE1-CD2 3.4Å; Y369-F385 HydrophobicContact CE1-CD2 3.4Å; Y369-F385 VanDerWaalsContact CE1-CD2 3.4Å; Y369-F385 HydrophobicContact CE1-CE2 4.23Å; Y369-F385 HydrophobicContact CE1-CG 4.11Å; Y369-F385 AromaticContact CE2-CD2 3.85Å; Y369-F385 HydrophobicContact CE2-CD2 3.85Å; Y369-F385 AromaticContact CE2-CE2 3.97Å; Y369-F385 HydrophobicContact CE2-CE2 3.97Å; Y369-F385 HydrophobicContact CG-CD2 4.45Å; Y369-F385 AromaticContact CZ-CD2 3.33Å; Y369-F385 AromaticContact CZ-CE2 3.67Å; F385-P387 HydrophobicContact CE1-CB 4.03Å; F385-P387 HydrophobicContact CE1-CG 4.46Å; F385-P387 HydrophobicContact CZ-CB 4.5Å; F385-P387 WeakPolarHBondContact O-CD 3.38Å
386	R	52.3	Low	53.5	Low	129 Å²	129	86.8 Å²	86.8	49%	0.487	48%	0.479	S	S	.	.			trans	-107.6	100.5	173.2	-68.8	-171.4	179.5	175.6	2.1	109.2	N368 E370 Q384 L388	N368-R386 PolarHBondContact O-N 2.9Å; E370-R386 IonicContact OE1-NH1 3.38Å; E370-R386 IonicContact OE1-NH2 3.52Å; E370-R386 IonicContact OE2-CZ 2.68Å; E370-R386 IonicContact OE2-NE 3.36Å; E370-R386 IonicContact OE2-NH1 2.99Å; E370-R386 IonicContact OE2-NH2 3.38Å; E370-R386 PolarHBondContact OE2-NH2 3.34Å; Q384-R386 HydrophobicContact CG-CG 4.42Å; Q384-R386 VanDerWaalsContact OE1-NH2 3.12Å; R386-L388 PolarHBondContact O-N 2.83Å
387	P	46.5	Very low	51.5	Low	59 Å²	59	87.7 Å²	87.7	38%	0.383	47%	0.474	S	S	.	.			trans	-61.7	132.1	174.9	22.6	-30.4	0	0	0	110.6	F385 L389	F385-P387 HydrophobicContact CE1-CB 4.03Å; F385-P387 HydrophobicContact CE1-CG 4.46Å; F385-P387 HydrophobicContact CZ-CB 4.5Å; F385-P387 WeakPolarHBondContact O-CD 3.38Å; P387-L389 PolarHBondContact O-N 2.81Å
388	L	41.7	Very low	48.9	Very low	122 Å²	122	89 Å²	89	64%	0.639	49%	0.489	S	S	*	.	S	Bend	trans	-65.1	-19.7	-179.1	-71.6	168	0	0	0	113.7	N368 R386	N368-L388 WeakPolarHBondContact OD1-CD1 3.46Å; N368-L388 VanDerWaalsContact OD1-CD2 3.26Å; N368-L388 WeakPolarHBondContact OD1-CD2 3.12Å; N368-L388 WeakPolarHBondContact OD1-CG 3.42Å; R386-L388 PolarHBondContact O-N 2.83Å
389	L	33.3	Very low	46.6	Very low	143 Å²	143	95.9 Å²	95.9	75%	0.749	52%	0.517	S	S	*	.	S	Bend	trans	-118.3	130.6	175.5	-82.6	139.9	0	0	0	107.8	P387 A391	P387-L389 PolarHBondContact O-N 2.81Å; L389-A391 PolarHBondContact O-N 2.7Å
390	N	31.5	Very low	44.1	Very low	144 Å²	144	100.9 Å²	100.9	77%	0.77	53%	0.532	S	S	*	.			trans	-62.6	68.7	169.2	-76.1	-37.7	0	0	0	109.8	P392	N390-P392 WeakPolarHBondContact O-CD 3.46Å
391	A	29.2	Very low	41.5	Very low	54 Å²	54	103.7 Å²	103.7	45%	0.446	55%	0.552	S	S	.	*			trans	-77.2	114.2	164.4	0	0	0	0	0	106.2	L389 T393	L389-A391 PolarHBondContact O-N 2.7Å; A391-T393 PolarHBondContact O-N 3.16Å
392	P	32.4	Very low	39.1	Very low	110 Å²	110	111.7 Å²	111.7	71%	0.714	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	63.7	-177.6	35	-33	0	0	0	109	N390	N390-P392 WeakPolarHBondContact O-CD 3.46Å
393	T	38.1	Very low	36.7	Very low	128 Å²	128	113.7 Å²	113.7	79%	0.785	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-18	167.8	35.3	0	0	0	0	112.1	A391	A391-T393 PolarHBondContact O-N 3.16Å
394	C	33.9	Very low	35.1	Very low	52 Å²	52	119 Å²	119	35%	0.351	64%	0.642	S	S	.	*	S	Bend	trans	-123	-0.4	173.9	-59.5	0	0	0	0	114.4	S396	C394-S396 PolarHBondContact O-N 3.26Å; C394-S396 VanDerWaalsContact O-N 3.16Å
395	L	29.5	Very low	33.3	Very low	104 Å²	104	125 Å²	125	55%	0.545	67%	0.674	S	S	.	*			trans	-90.6	76.3	-179.2	-72	168.8	0	0	0	111.7	K397	L395-K397 PolarHBondContact O-N 3Å
396	S	30.6	Very low	32	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	70%	0.695	S	S	*	*			trans	-70.2	82.5	155.2	58.6	0	0	0	0	108.7	C394	C394-S396 PolarHBondContact O-N 3.26Å; C394-S396 VanDerWaalsContact O-N 3.16Å
397	K	29.8	Very low	30.8	Very low	199 Å²	199	129.7 Å²	129.7	87%	0.865	71%	0.714	S	S	*	*			trans	167.5	82.8	158	-92.3	157	-166.3	-178.2	0	109.3	L395	L395-K397 PolarHBondContact O-N 3Å
398	S	27.1	Very low	29.8	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	73%	0.731	S	S	*	*			trans	-158.3	103.8	145.9	-167.1	0	0	0	0	109.9	R400	S398-R400 VanDerWaalsContact C-N 3.31Å; S398-R400 PolarHBondContact O-N 2.98Å
399	K	29.2	Very low	28.9	Very low	212 Å²	212	131.3 Å²	131.3	92%	0.922	73%	0.732	S	S	*	*			trans	-62.8	94	162.3	-81.8	177.5	173.8	175.5	0	107.8
400	R	24.8	Very low	28.7	Very low	201 Å²	201	131 Å²	131	76%	0.758	74%	0.736	S	S	*	*			trans	-137.1	103.7	152.8	-74.1	-164.4	-172	179.2	3.7	109.8	S398 F402	S398-R400 VanDerWaalsContact C-N 3.31Å; S398-R400 PolarHBondContact O-N 2.98Å; R400-F402 HydrophobicContact CB-CD2 4.16Å; R400-F402 HydrophobicContact CB-CE2 4.16Å; R400-F402 PolarHBondContact O-N 3.48Å
401	V	24.9	Very low	28.4	Very low	144 Å²	144	131 Å²	131	87%	0.873	74%	0.736	S	S	*	*			trans	-49.9	112.2	157.3	177	0	0	0	0	107.7
402	F	25.5	Very low	28.4	Very low	180 Å²	180	137.6 Å²	137.6	79%	0.789	76%	0.755	S	S	*	*			trans	-126.5	125.1	156.3	-85.2	-76.5	0	0	0	108.3	R400	R400-F402 HydrophobicContact CB-CD2 4.16Å; R400-F402 HydrophobicContact CB-CE2 4.16Å; R400-F402 PolarHBondContact O-N 3.48Å
403	A	26.9	Very low	28.1	Very low	79 Å²	79	138.6 Å²	138.6	65%	0.653	76%	0.758	S	S	*	*			trans	-68.2	157.6	-173.6	0	0	0	0	0	111.7	D405	A403-D405 PolarHBondContact O-N 3.44Å
404	P	31.1	Very low	27.7	Very low	121 Å²	121	139 Å²	139	79%	0.786	76%	0.76	S	S	*	*			trans	-87.8	108	-170.6	33.1	-28.3	0	0	0	110.8
405	D	28.2	Very low	27.4	Very low	157 Å²	157	145.3 Å²	145.3	84%	0.84	78%	0.782	S	S	*	*			trans	-97.1	101.1	164.9	-77.3	-29	0	0	0	109.9	A403	A403-D405 PolarHBondContact O-N 3.44Å
406	T	26	Very low	27.2	Very low	123 Å²	123	149.5 Å²	149.5	76%	0.755	80%	0.799	S	S	*	*			trans	-19.2	131.6	146.6	39.5	0	0	0	0	115
407	M	25.9	Very low	27.2	Very low	180 Å²	180	149 Å²	149	89%	0.887	80%	0.801	S	S	*	*			trans	-161.6	99.3	133.6	-84.1	-128	172.7	0	0	112
408	T	25.4	Very low	27.7	Very low	122 Å²	122	144.8 Å²	144.8	75%	0.748	79%	0.794	S	S	*	*			trans	31.6	109.3	130.2	31.3	0	0	0	0	121.1
409	S	24.1	Very low	27.7	Very low	93 Å²	93	147.6 Å²	147.6	65%	0.65	80%	0.801	S	S	*	*			trans	5.3	120.9	131.1	-179.8	0	0	0	0	117.7
410	T	28.5	Very low	27.7	Very low	137 Å²	137	146.5 Å²	146.5	84%	0.84	80%	0.801	S	S	*	*			trans	-126.1	97.3	149.5	41.5	0	0	0	0	109.8	K412	T410-K412 PolarHBondContact O-N 3.23Å
411	N	26	Very low	27.9	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	80%	0.801	S	S	*	*			trans	-55.5	124.7	161.4	-78.7	-36.8	0	0	0	110.2
412	K	29	Very low	28	Very low	194 Å²	194	144 Å²	144	84%	0.843	80%	0.801	S	S	*	*			trans	-129.8	97	153.6	-78.9	-169	178.7	177.8	0	109.5	T410 V414	T410-K412 PolarHBondContact O-N 3.23Å; K412-V414 PolarHBondContact O-N 3.44Å
413	V	25.3	Very low	28.1	Very low	130 Å²	130	145.7 Å²	145.7	79%	0.788	80%	0.802	S	S	*	*			trans	-54.9	114.9	161.7	174.8	0	0	0	0	108.4
414	V	29.1	Very low	28.1	Very low	136 Å²	136	149.2 Å²	149.2	82%	0.824	81%	0.81	S	S	*	*			trans	-109.8	119	163.2	177.1	0	0	0	0	107.3	K412	K412-V414 PolarHBondContact O-N 3.44Å
415	K	28	Very low	28	Very low	185 Å²	185	152.1 Å²	152.1	80%	0.804	81%	0.811	S	S	*	*			trans	-65.7	151.4	-176.2	-74.3	175.9	169.7	179.6	0	112.9
416	E	25.5	Very low	28	Very low	193 Å²	193	149.8 Å²	149.8	90%	0.902	81%	0.813	S	S	*	*			trans	-44.2	152.1	169.7	-62.6	165.4	131.3	0	0	115.7
417	A	31.7	Very low	28	Very low	98 Å²	98	146.8 Å²	146.8	81%	0.81	81%	0.807	S	S	*	*			trans	-165.9	154.3	145	0	0	0	0	0	109.9
418	P	40.2	Very low	28.1	Very low	111 Å²	111	143.1 Å²	143.1	72%	0.721	81%	0.805	S	S	*	*				-116.8	165.3	-123.2	39.4	-32	0	0	0	115.9
419	N	27.4	Very low	28.3	Very low	162 Å²	162	142.8 Å²	142.8	87%	0.866	81%	0.805	S	S	*	*			trans	33	100.4	146.1	-76.1	-24.4	0	0	0	118.1
420	M	28.3	Very low	28.6	Very low	189 Å²	189	143.5 Å²	143.5	93%	0.931	81%	0.81	S	S	*	*			trans	-128.6	104.3	150.7	-73.5	-128.8	-163.1	0	0	111
421	A	28.2	Very low	28.5	Very low	91 Å²	91	144.8 Å²	144.8	75%	0.752	81%	0.806	S	S	*	*			trans	33.5	112.1	144.8	0	0	0	0	0	119.4	R423	A421-R423 PolarHBondContact O-N 2.82Å
422	K	27.7	Very low	28.6	Very low	202 Å²	202	146.2 Å²	146.2	88%	0.878	81%	0.809	S	S	*	*			trans	-38.9	114.2	159.9	-70	174.3	173.8	178.2	0	112.1
423	R	27.6	Very low	28.6	Very low	215 Å²	215	144.6 Å²	144.6	81%	0.811	81%	0.809	S	S	*	*			trans	-107.8	108.4	156	-82.9	-175.6	175.1	171.5	-0.9	108.1	A421 F425	A421-R423 PolarHBondContact O-N 2.82Å; R423-F425 HydrophobicContact CB-CD2 4.25Å; R423-F425 HydrophobicContact CB-CE2 4.1Å; R423-F425 PolarHBondContact O-N 3.35Å; R423-F425 VanDerWaalsContact O-N 3.08Å
424	N	26.8	Very low	28.9	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	80%	0.796	S	S	*	*			trans	-66.8	99.7	172.2	-63.6	-25.4	0	0	0	108.5
425	F	29	Very low	29.2	Very low	182 Å²	182	142.7 Å²	142.7	80%	0.798	79%	0.789	S	S	*	*			trans	-94.7	93.3	161.6	-81.1	-81.8	0	0	0	107.8	R423 G427	R423-F425 HydrophobicContact CB-CD2 4.25Å; R423-F425 HydrophobicContact CB-CE2 4.1Å; R423-F425 PolarHBondContact O-N 3.35Å; R423-F425 VanDerWaalsContact O-N 3.08Å; F425-G427 PolarHBondContact O-N 3.25Å
426	A	27.5	Very low	29.5	Very low	108 Å²	108	141.2 Å²	141.2	89%	0.893	79%	0.785	S	S	*	*			trans	-73.3	113.1	162.1	0	0	0	0	0	107.5
427	G	27.6	Very low	30.1	Very low	61 Å²	61	136.2 Å²	136.2	63%	0.629	78%	0.777	S	S	*	*			trans	160.2	86.3	178	0	0	0	0	0	108.6	F425 P429	F425-G427 PolarHBondContact O-N 3.25Å; G427-P429 WeakPolarHBondContact O-CD 3.27Å
428	A	26.9	Very low	30.4	Very low	103 Å²	103	136 Å²	136	85%	0.851	76%	0.759	S	S	*	*			trans	-64.4	110.8	179.1	0	0	0	0	0	109.7	S430	A428-S430 PolarHBondContact O-N 2.98Å
429	P	30.7	Very low	30.2	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	74%	0.738	S	S	*	*			trans	-81.6	115.4	169	2.7	18.4	0	0	0	106.3	G427 Q431	G427-P429 WeakPolarHBondContact O-CD 3.27Å; P429-Q431 PolarHBondContact O-N 3.13Å
430	S	28.7	Very low	30.8	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	71%	0.71	S	S	*	*			trans	-60.4	102.1	170.1	48	0	0	0	0	108.9	A428 Q432	A428-S430 PolarHBondContact O-N 2.98Å; S430-Q432 PolarHBondContact O-N 2.8Å
431	Q	27.9	Very low	31.8	Very low	164 Å²	164	122.2 Å²	122.2	77%	0.766	69%	0.691	S	S	*	*			trans	-67.7	96	171.9	-72.5	177.5	-14.6	0	0	108.8	P429	P429-Q431 PolarHBondContact O-N 3.13Å
432	Q	27.9	Very low	32.3	Very low	173 Å²	173	122.5 Å²	122.5	81%	0.808	68%	0.68	S	S	*	*			trans	-80.8	111.1	162.9	-81.7	177.8	-34.5	0	0	107.6	S430	S430-Q432 PolarHBondContact O-N 2.8Å
433	L	27.9	Very low	32.9	Very low	160 Å²	160	114 Å²	114	84%	0.838	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-79	126.7	175.9	-84.4	153.5	0	0	0	109.3
434	L	31.7	Very low	33.6	Very low	99 Å²	99	105 Å²	105	52%	0.518	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-86.1	147.4	-173.5	-74.7	152.8	0	0	0	113.1	L557	L434-L557 HydrophobicContact CD1-CB 3.95Å; L434-L557 HydrophobicContact CD1-CD1 4.33Å; L434-L557 HydrophobicContact CD1-CD2 3.75Å; L434-L557 HydrophobicContact CD1-CG 4.18Å; L434-L557 HydrophobicContact CD2-CB 4.27Å; L434-L557 HydrophobicContact CD2-CD2 3.33Å; L434-L557 HydrophobicContact CD2-CG 4.34Å; L434-L557 HydrophobicContact CG-CD2 4.07Å
435	N	36.8	Very low	34.5	Very low	127 Å²	127	103.3 Å²	103.3	68%	0.679	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-95.5	144.5	174.6	-90.2	-24.2	0	0	0	111.7	A437	N435-A437 VanDerWaalsContact C-N 3.25Å; N435-A437 PolarHBondContact O-N 3.3Å; N435-A437 VanDerWaalsContact O-N 3.11Å
436	E	32.8	Very low	34.8	Very low	153 Å²	153	99 Å²	99	72%	0.715	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-58.5	-21.7	-171.7	-70	176.4	151.3	0	0	116.1	E438 L439	E436-E438 PolarHBondContact O-N 2.96Å; E436-E438 VanDerWaalsContact O-N 3.15Å; E436-L439 PolarHBondContact O-N 3.12Å
437	A	39.9	Very low	35.4	Very low	89 Å²	89	96.7 Å²	96.7	74%	0.736	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-70.8	-10.7	-170.4	0	0	0	0	0	114.7	N435	N435-A437 VanDerWaalsContact C-N 3.25Å; N435-A437 PolarHBondContact O-N 3.3Å; N435-A437 VanDerWaalsContact O-N 3.11Å
438	E	37.9	Very low	36.3	Very low	93 Å²	93	100 Å²	100	44%	0.435	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-103.2	-2.4	-175	-61.2	-166.5	158.6	0	0	114.1	E436 P440 L553	E436-E438 PolarHBondContact O-N 2.96Å; E436-E438 VanDerWaalsContact O-N 3.15Å; E438-P440 WeakPolarHBondContact O-CD 3.1Å; E438-L553 VanDerWaalsContact O-CD1 3.26Å; E438-L553 WeakPolarHBondContact O-CD1 3.31Å
439	L	34.5	Very low	37.2	Very low	53 Å²	53	98.3 Å²	98.3	28%	0.277	54%	0.544	S	S	.	.	S	Bend	trans	-85.1	124	-175.7	-66.5	168.1	0	0	0	111.2	E436 S441 V443 F448	E436-L439 PolarHBondContact O-N 3.12Å; L439-S441 PolarHBondContact O-N 2.66Å; L439-V443 HydrophobicContact CD2-CG1 4.09Å; L439-F448 HydrophobicContact CD1-CE2 4.09Å
440	P	40.3	Very low	38.1	Very low	45 Å²	45	96.9 Å²	96.9	29%	0.292	53%	0.53	S	S	.	.			trans	-58.6	136.5	165.9	-21.9	34.1	0	0	0	109.9	E438 D442 V443 L553	E438-P440 WeakPolarHBondContact O-CD 3.1Å; P440-D442 PolarHBondContact O-N 2.93Å; P440-V443 WeakPolarHBondContact O-CB 3.38Å; P440-V443 PolarHBondContact O-N 3.27Å; P440-L553 VanDerWaalsContact CD-CD2 3.43Å; P440-L553 HydrophobicContact CG-CD1 4.09Å; P440-L553 HydrophobicContact CG-CD2 3.92Å
441	S	49.3	Very low	39.2	Very low	74 Å²	74	99.6 Å²	99.6	52%	0.517	52%	0.524	S	S	.	.	H	α-helix	trans	-41.8	-39.2	-168.2	39.8	0	0	0	0	115.3	L439 V443 G444	L439-S441 PolarHBondContact O-N 2.66Å; S441-V443 PolarHBondContact O-N 3.29Å; S441-G444 PolarHBondContact O-N 2.96Å
442	D	39.6	Very low	40.6	Very low	98 Å²	98	99.1 Å²	99.1	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-73.2	-12.8	-172.7	-20.4	-20.3	0	0	0	112.3	P440 Y446	P440-D442 PolarHBondContact O-N 2.93Å; D442-Y446 WeakPolarHBondContact O-CD2 3.44Å
443	V	39.8	Very low	41.8	Very low	23 Å²	23	92.3 Å²	92.3	14%	0.139	49%	0.493	C	S	.	.	H	α-helix	trans	-90.8	-36.2	178	-177.1	0	0	0	0	110.8	L439 P440 S441 D445 Y446 I447 F457	L439-V443 HydrophobicContact CD2-CG1 4.09Å; P440-V443 WeakPolarHBondContact O-CB 3.38Å; P440-V443 PolarHBondContact O-N 3.27Å; S441-V443 PolarHBondContact O-N 3.29Å; V443-D445 VanDerWaalsContact C-N 3.33Å; V443-D445 PolarHBondContact O-N 3.41Å; V443-Y446 PolarHBondContact O-N 2.96Å; V443-I447 HydrophobicContact CG1-CD1 3.37Å; V443-I447 HydrophobicContact CG1-CG1 3.99Å; V443-I447 WeakPolarHBondContact O-CG1 3.11Å; V443-I447 PolarHBondContact O-N 3.24Å; V443-F457 HydrophobicContact CB-CE2 4.48Å; V443-F457 HydrophobicContact CG1-CE2 4.43Å; V443-F457 HydrophobicContact CG1-CZ 4.24Å; V443-F457 HydrophobicContact CG2-CE2 4.17Å; V443-F457 HydrophobicContact CG2-CZ 4.18Å
444	G	42.7	Very low	43	Very low	25 Å²	25	88.3 Å²	88.3	26%	0.258	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-42.5	177.7	0	0	0	0	0	112.2	S441 Y446 F448	S441-G444 PolarHBondContact O-N 2.96Å; G444-Y446 VanDerWaalsContact C-N 3.27Å; G444-Y446 PolarHBondContact O-N 3.44Å; G444-F448 WeakPolarHBondContact O-CD2 3.13Å
445	D	44.5	Very low	44.3	Very low	118 Å²	118	85.6 Å²	85.6	63%	0.631	46%	0.455	S	S	*	.	H	α-helix	trans	-63.9	-29.8	-177.2	-70.1	-19.5	0	0	0	113.4	V443	V443-D445 VanDerWaalsContact C-N 3.33Å; V443-D445 PolarHBondContact O-N 3.41Å
446	Y	36.1	Very low	45.6	Very low	92 Å²	92	84 Å²	84	36%	0.361	44%	0.443	S	S	.	.	H	α-helix	trans	-98	-32.1	-175.1	-81.9	-85	0	0	0	114.7	D442 V443 G444 S453 F454 F457	D442-Y446 WeakPolarHBondContact O-CD2 3.44Å; V443-Y446 PolarHBondContact O-N 2.96Å; G444-Y446 VanDerWaalsContact C-N 3.27Å; G444-Y446 PolarHBondContact O-N 3.44Å; Y446-S453 WeakPolarHBondContact CD1-O 3.07Å; Y446-S453 CarbonylContact O-C 3.5Å; Y446-S453 WeakPolarHBondContact O-CB 3.29Å; Y446-F454 PolarHBondContact O-N 2.84Å; Y446-F457 HydrophobicContact CD1-CB 3.89Å; Y446-F457 HydrophobicContact CD2-CD2 4.04Å; Y446-F457 HydrophobicContact CG-CB 3.88Å; Y446-F457 AromaticContact CG-CD2 3.8Å; Y446-F457 HydrophobicContact CG-CD2 3.8Å; Y446-F457 HydrophobicContact CG-CG 4.31Å
447	I	39.9	Very low	47	Very low	58 Å²	58	77.4 Å²	77.4	30%	0.297	41%	0.412	S	S	.	.	H	α-helix	trans	-75	-31.7	-176.8	-63.5	-173	0	0	0	111	V443 F454	V443-I447 HydrophobicContact CG1-CD1 3.37Å; V443-I447 HydrophobicContact CG1-CG1 3.99Å; V443-I447 WeakPolarHBondContact O-CG1 3.11Å; V443-I447 PolarHBondContact O-N 3.24Å; I447-F454 HydrophobicContact CB-CD2 4.36Å; I447-F454 HydrophobicContact CD1-CE2 4.25Å; I447-F454 HydrophobicContact CG1-CD2 3.84Å; I447-F454 HydrophobicContact CG1-CE2 3.99Å; I447-F454 HydrophobicContact CG2-CD2 4.39Å
448	F	45.7	Very low	48.1	Very low	130 Å²	130	73.7 Å²	73.7	57%	0.57	38%	0.38	S	S	*	.	S	Bend	trans	-109.4	-5.9	-166.7	-60.2	-68.2	0	0	0	115.9	L439 G444	L439-F448 HydrophobicContact CD1-CE2 4.09Å; G444-F448 WeakPolarHBondContact O-CD2 3.13Å
449	A	47	Very low	49.4	Very low	69 Å²	69	70.2 Å²	70.2	57%	0.57	37%	0.366	S	S	*	.	S	Bend	trans	-72.9	-54.7	178.4	0	0	0	0	0	112
450	D	49.4	Very low	51	Low	84 Å²	84	71.3 Å²	71.3	45%	0.449	37%	0.372	S	S	.	.			trans	-169.4	170	174	59.2	56.1	0	0	0	111.6	Q452 S453 F454	D450-Q452 PolarHBondContact O-N 3.47Å; D450-Q452 WeakPolarHBondContact OD1-CA 3.4Å; D450-Q452 VanDerWaalsContact OD1-CB 3.29Å; D450-Q452 WeakPolarHBondContact OD1-CB 3.35Å; D450-Q452 PolarHBondContact OD1-N 3.24Å; D450-S453 WeakPolarHBondContact O-CB 3.25Å; D450-S453 PolarHBondContact O-N 3.08Å; D450-S453 VanDerWaalsContact O-N 3.14Å; D450-S453 PolarHBondContact OD1-N 3.39Å; D450-S453 PolarHBondContact OD1-OG 3.13Å; D450-F454 PolarHBondContact O-N 3.36Å; D450-F454 VanDerWaalsContact O-N 3.16Å
451	R	52.2	Low	52.4	Low	165 Å²	165	71 Å²	71	62%	0.623	37%	0.366	S	S	*	.	H	α-helix	trans	-58.3	-34	179.6	-178.7	177.9	176.9	172.3	2.7	113.2	S453 F454 D455	R451-S453 VanDerWaalsContact C-N 3.31Å; R451-F454 PolarHBondContact O-N 2.87Å; R451-D455 WeakPolarHBondContact O-CB 3.26Å; R451-D455 PolarHBondContact O-N 3.35Å
452	Q	57.3	Low	53.3	Low	153 Å²	153	68.7 Å²	68.7	72%	0.715	35%	0.349	S	S	*	.	H	α-helix	trans	-69.4	-35.9	-179.4	-173.1	175	-2.8	0	0	110.5	D450 Q456	D450-Q452 PolarHBondContact O-N 3.47Å; D450-Q452 WeakPolarHBondContact OD1-CA 3.4Å; D450-Q452 VanDerWaalsContact OD1-CB 3.29Å; D450-Q452 WeakPolarHBondContact OD1-CB 3.35Å; D450-Q452 PolarHBondContact OD1-N 3.24Å; Q452-Q456 WeakPolarHBondContact O-CB 3.27Å; Q452-Q456 PolarHBondContact O-N 2.86Å
453	S	53.5	Low	54.7	Low	30 Å²	30	65.3 Å²	65.3	21%	0.21	33%	0.329	C	S	.	.	H	α-helix	trans	-66.6	-41.8	174.8	-56.5	0	0	0	0	111.6	Y446 D450 R451 Q456 F457	Y446-S453 WeakPolarHBondContact CD1-O 3.07Å; Y446-S453 CarbonylContact O-C 3.5Å; Y446-S453 WeakPolarHBondContact O-CB 3.29Å; D450-S453 WeakPolarHBondContact O-CB 3.25Å; D450-S453 PolarHBondContact O-N 3.08Å; D450-S453 VanDerWaalsContact O-N 3.14Å; D450-S453 PolarHBondContact OD1-N 3.39Å; D450-S453 PolarHBondContact OD1-OG 3.13Å; R451-S453 VanDerWaalsContact C-N 3.31Å; S453-Q456 WeakPolarHBondContact O-CB 3.17Å; S453-Q456 PolarHBondContact O-N 3.47Å; S453-F457 WeakPolarHBondContact O-CB 3.31Å; S453-F457 PolarHBondContact O-N 3.36Å
454	F	52.8	Low	55.9	Low	77 Å²	77	64.5 Å²	64.5	34%	0.338	32%	0.323	S	S	.	.	H	α-helix	trans	-66	-46.2	174.7	-175.9	-117.1	0	0	0	112.4	Y446 I447 D450 R451 Q456 F457 L458	Y446-F454 PolarHBondContact O-N 2.84Å; I447-F454 HydrophobicContact CB-CD2 4.36Å; I447-F454 HydrophobicContact CD1-CE2 4.25Å; I447-F454 HydrophobicContact CG1-CD2 3.84Å; I447-F454 HydrophobicContact CG1-CE2 3.99Å; I447-F454 HydrophobicContact CG2-CD2 4.39Å; D450-F454 PolarHBondContact O-N 3.36Å; D450-F454 VanDerWaalsContact O-N 3.16Å; R451-F454 PolarHBondContact O-N 2.87Å; F454-Q456 PolarHBondContact O-N 2.67Å; F454-F457 WeakPolarHBondContact O-CB 3.33Å; F454-F457 PolarHBondContact O-N 3.16Å; F454-F457 VanDerWaalsContact O-N 3.15Å; F454-L458 HydrophobicContact CD1-CD1 3.92Å; F454-L458 HydrophobicContact CD1-CG 4.43Å; F454-L458 HydrophobicContact CD2-CG 4.41Å; F454-L458 HydrophobicContact CE1-CD1 3.4Å; F454-L458 VanDerWaalsContact CE1-CD1 3.4Å; F454-L458 HydrophobicContact CE1-CG 4.11Å; F454-L458 HydrophobicContact CE2-CD1 4.23Å; F454-L458 HydrophobicContact CE2-CD2 4.09Å; F454-L458 HydrophobicContact CE2-CG 4.08Å; F454-L458 HydrophobicContact CZ-CD1 3.59Å; F454-L458 HydrophobicContact CZ-CD2 4.01Å; F454-L458 HydrophobicContact CZ-CG 3.93Å; F454-L458 WeakPolarHBondContact O-CG 3.2Å; F454-L458 PolarHBondContact O-N 3.03Å
455	D	59	Low	57.1	Low	41 Å²	41	65.2 Å²	65.2	22%	0.219	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-36.6	175.5	-79	-28.6	0	0	0	111.3	R451 S459	R451-D455 WeakPolarHBondContact O-CB 3.26Å; R451-D455 PolarHBondContact O-N 3.35Å; D455-S459 WeakPolarHBondContact O-CB 3.26Å; D455-S459 PolarHBondContact O-N 3.33Å; D455-S459 PolarHBondContact O-OG 3.37Å
456	Q	63.4	Low	58.2	Low	93 Å²	93	62.5 Å²	62.5	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-45.1	173.9	-172.4	62.2	43.8	0	0	111.4	Q452 S453 F454 L458 S459 D460	Q452-Q456 WeakPolarHBondContact O-CB 3.27Å; Q452-Q456 PolarHBondContact O-N 2.86Å; S453-Q456 WeakPolarHBondContact O-CB 3.17Å; S453-Q456 PolarHBondContact O-N 3.47Å; F454-Q456 PolarHBondContact O-N 2.67Å; Q456-L458 PolarHBondContact O-N 3.4Å; Q456-S459 CarbonylContact O-C 3.58Å; Q456-S459 WeakPolarHBondContact O-CA 3.43Å; Q456-S459 WeakPolarHBondContact O-CB 3.2Å; Q456-S459 PolarHBondContact O-N 2.99Å; Q456-S459 VanDerWaalsContact O-N 3.11Å; Q456-D460 VanDerWaalsContact NE2-CG 3.3Å; Q456-D460 PolarHBondContact NE2-OD1 2.85Å; Q456-D460 PolarHBondContact NE2-OD2 3.26Å; Q456-D460 WeakPolarHBondContact O-CB 3.42Å; Q456-D460 PolarHBondContact O-N 2.98Å
457	F	62.8	Low	59.8	Low	15 Å²	15	62.8 Å²	62.8	7%	0.066	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-46.1	177.3	171	-82.6	0	0	0	113	V443 Y446 S453 F454 S459 D460 R461 F465	V443-F457 HydrophobicContact CB-CE2 4.48Å; V443-F457 HydrophobicContact CG1-CE2 4.43Å; V443-F457 HydrophobicContact CG1-CZ 4.24Å; V443-F457 HydrophobicContact CG2-CE2 4.17Å; V443-F457 HydrophobicContact CG2-CZ 4.18Å; Y446-F457 HydrophobicContact CD1-CB 3.89Å; Y446-F457 HydrophobicContact CD2-CD2 4.04Å; Y446-F457 HydrophobicContact CG-CB 3.88Å; Y446-F457 AromaticContact CG-CD2 3.8Å; Y446-F457 HydrophobicContact CG-CD2 3.8Å; Y446-F457 HydrophobicContact CG-CG 4.31Å; S453-F457 WeakPolarHBondContact O-CB 3.31Å; S453-F457 PolarHBondContact O-N 3.36Å; F454-F457 WeakPolarHBondContact O-CB 3.33Å; F454-F457 PolarHBondContact O-N 3.16Å; F454-F457 VanDerWaalsContact O-N 3.15Å; F457-S459 VanDerWaalsContact C-N 3.31Å; F457-D460 PolarHBondContact O-N 3.04Å; F457-R461 VanDerWaalsContact CE2-NH1 3.33Å; F457-R461 VanDerWaalsContact CE2-NH2 3.31Å; F457-R461 PolarHBondContact O-N 3.33Å; F457-R461 PolarHBondContact O-NH1 2.93Å; F457-R461 VanDerWaalsContact O-NH1 3.08Å; F457-F465 HydrophobicContact CE1-CE2 4.3Å
458	L	62	Low	61.1	Low	11 Å²	11	63.4 Å²	63.4	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-39.3	175.1	-65.3	-177.8	0	0	0	110.5	F454 Q456 D460 R461 F465 Y473	F454-L458 HydrophobicContact CD1-CD1 3.92Å; F454-L458 HydrophobicContact CD1-CG 4.43Å; F454-L458 HydrophobicContact CD2-CG 4.41Å; F454-L458 HydrophobicContact CE1-CD1 3.4Å; F454-L458 VanDerWaalsContact CE1-CD1 3.4Å; F454-L458 HydrophobicContact CE1-CG 4.11Å; F454-L458 HydrophobicContact CE2-CD1 4.23Å; F454-L458 HydrophobicContact CE2-CD2 4.09Å; F454-L458 HydrophobicContact CE2-CG 4.08Å; F454-L458 HydrophobicContact CZ-CD1 3.59Å; F454-L458 HydrophobicContact CZ-CD2 4.01Å; F454-L458 HydrophobicContact CZ-CG 3.93Å; F454-L458 WeakPolarHBondContact O-CG 3.2Å; F454-L458 PolarHBondContact O-N 3.03Å; Q456-L458 PolarHBondContact O-N 3.4Å; L458-D460 VanDerWaalsContact C-N 3.34Å; L458-D460 PolarHBondContact O-N 3.43Å; L458-R461 PolarHBondContact O-N 3.38Å; L458-F465 HydrophobicContact CD2-CD1 4.04Å; L458-F465 HydrophobicContact CD2-CD2 3.64Å; L458-F465 HydrophobicContact CD2-CE1 4.01Å; L458-F465 HydrophobicContact CD2-CE2 3.61Å; L458-F465 HydrophobicContact CD2-CG 3.86Å; L458-F465 HydrophobicContact CD2-CZ 3.8Å; L458-Y473 HydrophobicContact CB-CD1 4.19Å; L458-Y473 HydrophobicContact CB-CD2 4.29Å; L458-Y473 HydrophobicContact CB-CE1 4.18Å; L458-Y473 HydrophobicContact CB-CE2 4.26Å; L458-Y473 HydrophobicContact CB-CG 4.25Å; L458-Y473 HydrophobicContact CD1-CD2 3.42Å; L458-Y473 VanDerWaalsContact CD1-CD2 3.42Å; L458-Y473 HydrophobicContact CD1-CE2 3.88Å; L458-Y473 HydrophobicContact CD1-CG 3.8Å
459	S	66.2	Low	61.8	Low	20 Å²	20	58.6 Å²	58.6	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-32.6	177	-74.3	0	0	0	0	114.1	D455 Q456 F457 R461 Y473	D455-S459 WeakPolarHBondContact O-CB 3.26Å; D455-S459 PolarHBondContact O-N 3.33Å; D455-S459 PolarHBondContact O-OG 3.37Å; Q456-S459 CarbonylContact O-C 3.58Å; Q456-S459 WeakPolarHBondContact O-CA 3.43Å; Q456-S459 WeakPolarHBondContact O-CB 3.2Å; Q456-S459 PolarHBondContact O-N 2.99Å; Q456-S459 VanDerWaalsContact O-N 3.11Å; F457-S459 VanDerWaalsContact C-N 3.31Å; S459-R461 VanDerWaalsContact C-N 3.26Å; S459-R461 PolarHBondContact O-N 3.41Å; S459-Y473 PolarHBondContact OG-OH 3.48Å
460	D	67	Low	62.6	Low	76 Å²	76	62.9 Å²	62.9	41%	0.406	32%	0.318	S	S	.	.	H	α-helix	trans	-79.2	-10.5	179.9	-71	-20.7	0	0	0	112.5	Q456 F457 L458 P462	Q456-D460 VanDerWaalsContact NE2-CG 3.3Å; Q456-D460 PolarHBondContact NE2-OD1 2.85Å; Q456-D460 PolarHBondContact NE2-OD2 3.26Å; Q456-D460 WeakPolarHBondContact O-CB 3.42Å; Q456-D460 PolarHBondContact O-N 2.98Å; F457-D460 PolarHBondContact O-N 3.04Å; L458-D460 VanDerWaalsContact C-N 3.34Å; L458-D460 PolarHBondContact O-N 3.43Å; D460-P462 VanDerWaalsContact O-CD 3.23Å; D460-P462 WeakPolarHBondContact O-CD 3.49Å
461	R	69.4	Low	63.1	Low	40 Å²	40	65.1 Å²	65.1	15%	0.151	32%	0.322	C	S	.	.			trans	-119.5	56.3	-179.5	-64	173.6	-178.8	69.1	-2.9	113	F457 L458 S459 Y463 L464 F465	F457-R461 VanDerWaalsContact CE2-NH1 3.33Å; F457-R461 VanDerWaalsContact CE2-NH2 3.31Å; F457-R461 PolarHBondContact O-N 3.33Å; F457-R461 PolarHBondContact O-NH1 2.93Å; F457-R461 VanDerWaalsContact O-NH1 3.08Å; L458-R461 PolarHBondContact O-N 3.38Å; S459-R461 VanDerWaalsContact C-N 3.26Å; S459-R461 PolarHBondContact O-N 3.41Å; R461-Y463 HydrophobicContact CB-CE1 3.95Å; R461-Y463 HydrophobicContact CG-CE1 3.98Å; R461-Y463 PolarHBondContact O-N 3.27Å; R461-L464 HydrophobicContact CB-CD1 4.41Å; R461-L464 PolarHBondContact O-N 3.3Å; R461-F465 HydrophobicContact CB-CD2 4.16Å; R461-F465 HydrophobicContact CB-CE2 4.48Å; R461-F465 PolarHBondContact O-N 3.02Å; R461-F465 VanDerWaalsContact O-N 3.11Å
462	P	68.6	Low	63.1	Low	25 Å²	25	60.7 Å²	60.7	16%	0.162	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-2.1	-179.1	31.1	-36.7	0	0	0	114	D460 F465 F476 R529 L530	D460-P462 VanDerWaalsContact O-CD 3.23Å; D460-P462 WeakPolarHBondContact O-CD 3.49Å; P462-F465 WeakPolarHBondContact CA-O 3.16Å; P462-F476 WeakPolarHBondContact O-CE2 3.46Å; P462-R529 HydrophobicContact CB-CB 4.04Å; P462-R529 HydrophobicContact CG-CB 4.16Å; P462-L530 HydrophobicContact CB-CG 4.28Å; P462-L530 HydrophobicContact CG-CD2 3.67Å; P462-L530 HydrophobicContact CG-CG 3.91Å
463	Y	68.6	Low	63.2	Low	27 Å²	27	55.8 Å²	55.8	11%	0.106	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.9	173.3	57.2	-88.6	0	0	0	113.2	R461 A481 V485 I544	R461-Y463 HydrophobicContact CB-CE1 3.95Å; R461-Y463 HydrophobicContact CG-CE1 3.98Å; R461-Y463 PolarHBondContact O-N 3.27Å; Y463-A481 WeakPolarHBondContact O-CB 3.34Å; Y463-V485 HydrophobicContact CD2-CG2 3.86Å; Y463-V485 HydrophobicContact CG-CG2 4.25Å; Y463-I544 HydrophobicContact CD1-CD1 3.89Å; Y463-I544 HydrophobicContact CD1-CG1 4.06Å; Y463-I544 HydrophobicContact CD1-CG2 3.85Å; Y463-I544 HydrophobicContact CD2-CG2 3.7Å; Y463-I544 HydrophobicContact CE1-CG1 4.44Å; Y463-I544 HydrophobicContact CE1-CG2 3.78Å; Y463-I544 HydrophobicContact CE2-CG2 3.64Å; Y463-I544 HydrophobicContact CG-CD1 3.91Å; Y463-I544 HydrophobicContact CG-CG1 4.43Å; Y463-I544 HydrophobicContact CG-CG2 3.83Å
464	L	65.5	Low	63.4	Low	5 Å²	5	57.1 Å²	57.1	3%	0.026	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-37.8	174.1	-70.2	164.9	0	0	0	111.4	R461 M475 F476 F547 V550	R461-L464 HydrophobicContact CB-CD1 4.41Å; R461-L464 PolarHBondContact O-N 3.3Å; L464-M475 CarbonylContact O-C 3.47Å; L464-M475 WeakPolarHBondContact O-CA 3.18Å; L464-M475 WeakPolarHBondContact O-CG 3.36Å; L464-F476 PolarHBondContact O-N 2.87Å; L464-F547 HydrophobicContact CD2-CD2 4.03Å; L464-F547 HydrophobicContact CD2-CE2 3.94Å; L464-V550 HydrophobicContact CD1-CB 4.1Å; L464-V550 HydrophobicContact CD1-CG1 3.48Å; L464-V550 VanDerWaalsContact CD1-CG1 3.48Å; L464-V550 HydrophobicContact CD1-CG2 4.27Å; L464-V550 HydrophobicContact CD2-CG1 4.15Å; L464-V550 HydrophobicContact CG-CG1 4.46Å
465	F	67.7	Low	64.2	Low	40 Å²	40	58.2 Å²	58.2	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.6	-173	-55.3	-75.1	0	0	0	112.2	F457 L458 R461 P462 Y473 S474 M475	F457-F465 HydrophobicContact CE1-CE2 4.3Å; L458-F465 HydrophobicContact CD2-CD1 4.04Å; L458-F465 HydrophobicContact CD2-CD2 3.64Å; L458-F465 HydrophobicContact CD2-CE1 4.01Å; L458-F465 HydrophobicContact CD2-CE2 3.61Å; L458-F465 HydrophobicContact CD2-CG 3.86Å; L458-F465 HydrophobicContact CD2-CZ 3.8Å; R461-F465 HydrophobicContact CB-CD2 4.16Å; R461-F465 HydrophobicContact CB-CE2 4.48Å; R461-F465 PolarHBondContact O-N 3.02Å; R461-F465 VanDerWaalsContact O-N 3.11Å; P462-F465 WeakPolarHBondContact CA-O 3.16Å; F465-Y473 HydrophobicContact CB-CD1 4.34Å; F465-S474 CarbonylContact C-O 3.58Å; F465-S474 WeakPolarHBondContact CA-O 3.34Å; F465-M475 HydrophobicContact CD1-CB 4.29Å; F465-M475 HydrophobicContact CD1-CG 4.42Å; F465-M475 HydrophobicContact CE1-CB 4.32Å; F465-M475 HydrophobicContact CE1-CG 4.23Å
466	V	68	Low	64.5	Low	61 Å²	61	57.8 Å²	57.8	37%	0.37	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.4	167.5	64.2	0	0	0	0	109.7	A468 Y473 S474 F476	V466-A468 PolarHBondContact O-N 3.31Å; V466-Y473 CarbonylContact O-C 3.51Å; V466-Y473 VanDerWaalsContact O-CA 3.25Å; V466-Y473 WeakPolarHBondContact O-CA 3.25Å; V466-S474 WeakPolarHBondContact CG1-O 3.36Å; V466-S474 PolarHBondContact N-O 3.27Å; V466-S474 PolarHBondContact O-N 3.15Å; V466-F476 HydrophobicContact CB-CE1 4.03Å; V466-F476 HydrophobicContact CB-CE2 4.04Å; V466-F476 HydrophobicContact CB-CZ 3.61Å; V466-F476 HydrophobicContact CG1-CE1 4.24Å; V466-F476 HydrophobicContact CG1-CZ 4.31Å; V466-F476 HydrophobicContact CG2-CZ 4.22Å
467	Q	69.5	Low	65	Low	99 Å²	99	57.6 Å²	57.6	46%	0.463	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	109.9	174	-169.5	172.7	15.5	0	0	109.5	G469 K470 S472 Y473	Q467-G469 WeakPolarHBondContact CG-O 3.47Å; Q467-G469 PolarHBondContact NE2-O 3.44Å; Q467-K470 PolarHBondContact NE2-O 3.34Å; Q467-S472 CarbonylContact C-O 3.57Å; Q467-Y473 HydrophobicContact CB-CD1 3.92Å; Q467-Y473 HydrophobicContact CB-CE1 3.73Å; Q467-Y473 HydrophobicContact CG-CD1 4.29Å; Q467-Y473 HydrophobicContact CG-CE1 3.92Å
468	A	68.5	Low	65.2	Low	71 Å²	71	63.3 Å²	63.3	59%	0.587	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	-15.2	179.1	0	0	0	0	0	113.1	V466 S472	V466-A468 PolarHBondContact O-N 3.31Å; A468-S472 PolarHBondContact N-O 2.85Å
469	G	59.4	Low	65.7	Low	29 Å²	29	71.6 Å²	71.6	30%	0.299	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	-179.2	178.5	0	0	0	0	0	112	Q467 Y471 S472	Q467-G469 WeakPolarHBondContact CG-O 3.47Å; Q467-G469 PolarHBondContact NE2-O 3.44Å; G469-Y471 PolarHBondContact O-N 2.74Å; G469-S472 PolarHBondContact N-O 3.31Å; G469-S472 PolarHBondContact O-N 2.78Å
470	K	63.6	Low	66.3	Low	159 Å²	159	72.1 Å²	72.1	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-34.2	-177	-166.5	178.3	-178.5	-168.6	0	112.8	Q467	Q467-K470 PolarHBondContact NE2-O 3.34Å
471	Y	59.2	Low	66.7	Low	131 Å²	131	68.5 Å²	68.5	51%	0.514	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	26.8	178.6	-51.5	-69.4	0	0	0	111.9	G469	G469-Y471 PolarHBondContact O-N 2.74Å
472	S	52.8	Low	67	Low	71 Å²	71	68.1 Å²	68.1	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.4	-176.5	-54.4	0	0	0	0	108.2	Q467 A468 G469	Q467-S472 CarbonylContact C-O 3.57Å; A468-S472 PolarHBondContact N-O 2.85Å; G469-S472 PolarHBondContact N-O 3.31Å; G469-S472 PolarHBondContact O-N 2.78Å
473	Y	58.9	Low	67.7	Low	50 Å²	50	67.2 Å²	67.2	20%	0.196	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.8	174.1	-64.6	-95.3	0	0	0	108.4	L458 S459 F465 V466 Q467	L458-Y473 HydrophobicContact CB-CD1 4.19Å; L458-Y473 HydrophobicContact CB-CD2 4.29Å; L458-Y473 HydrophobicContact CB-CE1 4.18Å; L458-Y473 HydrophobicContact CB-CE2 4.26Å; L458-Y473 HydrophobicContact CB-CG 4.25Å; L458-Y473 HydrophobicContact CD1-CD2 3.42Å; L458-Y473 VanDerWaalsContact CD1-CD2 3.42Å; L458-Y473 HydrophobicContact CD1-CE2 3.88Å; L458-Y473 HydrophobicContact CD1-CG 3.8Å; S459-Y473 PolarHBondContact OG-OH 3.48Å; F465-Y473 HydrophobicContact CB-CD1 4.34Å; V466-Y473 CarbonylContact O-C 3.51Å; V466-Y473 VanDerWaalsContact O-CA 3.25Å; V466-Y473 WeakPolarHBondContact O-CA 3.25Å; Q467-Y473 HydrophobicContact CB-CD1 3.92Å; Q467-Y473 HydrophobicContact CB-CE1 3.73Å; Q467-Y473 HydrophobicContact CG-CD1 4.29Å; Q467-Y473 HydrophobicContact CG-CE1 3.92Å
474	S	59.2	Low	68.5	Low	59 Å²	59	65.9 Å²	65.9	41%	0.413	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.2	170.9	-60.7	0	0	0	0	108.1	F465 V466	F465-S474 CarbonylContact C-O 3.58Å; F465-S474 WeakPolarHBondContact CA-O 3.34Å; V466-S474 WeakPolarHBondContact CG1-O 3.36Å; V466-S474 PolarHBondContact N-O 3.27Å; V466-S474 PolarHBondContact O-N 3.15Å
475	M	68.3	Low	69.3	Low	99 Å²	99	66.2 Å²	66.2	49%	0.488	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.8	173.3	-164.3	171.6	63	0	0	109.3	L464 F465 M554	L464-M475 CarbonylContact O-C 3.47Å; L464-M475 WeakPolarHBondContact O-CA 3.18Å; L464-M475 WeakPolarHBondContact O-CG 3.36Å; F465-M475 HydrophobicContact CD1-CB 4.29Å; F465-M475 HydrophobicContact CD1-CG 4.42Å; F465-M475 HydrophobicContact CE1-CB 4.32Å; F465-M475 HydrophobicContact CE1-CG 4.23Å; M475-M554 HydrophobicContact CE-CE 4.09Å; M475-M554 HydrophobicContact SD-CE 3.78Å; M475-M554 HydrophobicContact SD-CG 4.34Å
476	F	66.8	Low	70.2	Confident	33 Å²	33	65.9 Å²	65.9	15%	0.145	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-66.9	149.5	165.9	-71	-65.2	0	0	0	109.8	P462 L464 V466 T480 A481 L484 H527	P462-F476 WeakPolarHBondContact O-CE2 3.46Å; L464-F476 PolarHBondContact O-N 2.87Å; V466-F476 HydrophobicContact CB-CE1 4.03Å; V466-F476 HydrophobicContact CB-CE2 4.04Å; V466-F476 HydrophobicContact CB-CZ 3.61Å; V466-F476 HydrophobicContact CG1-CE1 4.24Å; V466-F476 HydrophobicContact CG1-CZ 4.31Å; V466-F476 HydrophobicContact CG2-CZ 4.22Å; F476-T480 HydrophobicContact CB-CG2 4.23Å; F476-T480 HydrophobicContact CD1-CG2 3.61Å; F476-T480 HydrophobicContact CE1-CG2 4.19Å; F476-T480 HydrophobicContact CG-CG2 4.06Å; F476-A481 HydrophobicContact CB-CB 4.04Å; F476-L484 HydrophobicContact CD2-CD1 3.97Å; F476-L484 HydrophobicContact CE2-CD1 3.82Å; F476-L484 HydrophobicContact CG-CD1 4.44Å; F476-L484 HydrophobicContact CZ-CD1 4.15Å; F476-H527 AromaticContact CE1-NE2 3.56Å; F476-H527 AromaticContact CZ-CD2 3.62Å; F476-H527 AromaticContact CZ-NE2 3.31Å; F476-H527 VanDerWaalsContact CZ-NE2 3.31Å; F476-H527 WeakPolarHBondContact CZ-NE2 3.27Å
477	D	72.7	Confident	71.2	Confident	89 Å²	89	63 Å²	63	48%	0.476	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62	154	165.3	65.7	87.9	0	0	0	110.2	R479 T480 A481	D477-R479 PolarHBondContact O-N 3.28Å; D477-R479 VanDerWaalsContact O-N 3.14Å; D477-R479 WeakPolarHBondContact OD1-CB 3.41Å; D477-R479 PolarHBondContact OD1-N 2.82Å; D477-T480 VanDerWaalsContact CG-OG1 3.29Å; D477-T480 PolarHBondContact O-N 3.39Å; D477-T480 VanDerWaalsContact O-N 3.14Å; D477-T480 PolarHBondContact OD1-N 2.81Å; D477-T480 PolarHBondContact OD1-OG1 3.42Å; D477-T480 WeakPolarHBondContact OD2-CB 3.19Å; D477-T480 PolarHBondContact OD2-OG1 3.47Å; D477-A481 PolarHBondContact O-N 2.91Å
478	E	67.1	Low	72.1	Confident	134 Å²	134	58.3 Å²	58.3	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-53.5	-38	-175.6	-171.7	-172.2	179.7	0	0	112.4	S482	E478-S482 VanDerWaalsContact O-CB 3.25Å; E478-S482 WeakPolarHBondContact O-CB 3.4Å; E478-S482 PolarHBondContact O-N 3.38Å
479	R	73.2	Confident	73.1	Confident	186 Å²	186	55.8 Å²	55.8	70%	0.702	28%	0.28	S	S	*	.	H	α-helix	trans	-68.9	-47.5	-179.2	-61.7	-178.1	178	178.2	-1.2	111.3	D477 A481 S482 L483 L511	D477-R479 PolarHBondContact O-N 3.28Å; D477-R479 VanDerWaalsContact O-N 3.14Å; D477-R479 WeakPolarHBondContact OD1-CB 3.41Å; D477-R479 PolarHBondContact OD1-N 2.82Å; R479-A481 VanDerWaalsContact C-N 3.32Å; R479-A481 PolarHBondContact O-N 2.78Å; R479-S482 PolarHBondContact O-N 2.98Å; R479-L483 WeakPolarHBondContact O-CB 2.82Å; R479-L483 PolarHBondContact O-N 3.39Å; R479-L511 HydrophobicContact CB-CD1 4.19Å
480	T	78.4	Confident	74.5	Confident	30 Å²	30	55.1 Å²	55.1	18%	0.184	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-43.9	177	-62.8	0	0	0	0	110.9	F476 D477 L483 L484 F523	F476-T480 HydrophobicContact CB-CG2 4.23Å; F476-T480 HydrophobicContact CD1-CG2 3.61Å; F476-T480 HydrophobicContact CE1-CG2 4.19Å; F476-T480 HydrophobicContact CG-CG2 4.06Å; D477-T480 VanDerWaalsContact CG-OG1 3.29Å; D477-T480 PolarHBondContact O-N 3.39Å; D477-T480 VanDerWaalsContact O-N 3.14Å; D477-T480 PolarHBondContact OD1-N 2.81Å; D477-T480 PolarHBondContact OD1-OG1 3.42Å; D477-T480 WeakPolarHBondContact OD2-CB 3.19Å; D477-T480 PolarHBondContact OD2-OG1 3.47Å; T480-L483 PolarHBondContact O-N 2.96Å; T480-L484 HydrophobicContact CG2-CD1 4.31Å; T480-L484 VanDerWaalsContact O-CG 3.31Å; T480-L484 WeakPolarHBondContact O-CG 3.4Å; T480-L484 PolarHBondContact O-N 2.97Å; T480-F523 HydrophobicContact CG2-CE2 4.33Å; T480-F523 HydrophobicContact CG2-CZ 4.24Å
481	A	75.3	Confident	75.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-42.4	178.1	0	0	0	0	0	111.9	Y463 F476 D477 R479 L483 L484 V485 F547	Y463-A481 WeakPolarHBondContact O-CB 3.34Å; F476-A481 HydrophobicContact CB-CB 4.04Å; D477-A481 PolarHBondContact O-N 2.91Å; R479-A481 VanDerWaalsContact C-N 3.32Å; R479-A481 PolarHBondContact O-N 2.78Å; A481-L483 VanDerWaalsContact C-N 3.34Å; A481-L483 PolarHBondContact O-N 3.41Å; A481-L484 PolarHBondContact O-N 3.32Å; A481-V485 WeakPolarHBondContact O-CG2 3.27Å; A481-V485 PolarHBondContact O-N 3.35Å; A481-F547 HydrophobicContact CB-CD2 4.47Å; A481-F547 HydrophobicContact CB-CE2 3.39Å; A481-F547 HydrophobicContact CB-CZ 3.8Å
482	S	76.8	Confident	77.3	Confident	32 Å²	32	45.3 Å²	45.3	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-45.6	175.7	-170.4	0	0	0	0	111.3	E478 R479 L484 V485 C486 E510 F547	E478-S482 VanDerWaalsContact O-CB 3.25Å; E478-S482 WeakPolarHBondContact O-CB 3.4Å; E478-S482 PolarHBondContact O-N 3.38Å; R479-S482 PolarHBondContact O-N 2.98Å; S482-L484 PolarHBondContact O-N 3.49Å; S482-V485 PolarHBondContact O-N 3.22Å; S482-C486 WeakPolarHBondContact O-CB 3.21Å; S482-C486 PolarHBondContact O-N 3.48Å; S482-E510 PolarHBondContact OG-OE2 3.18Å; S482-F547 VanDerWaalsContact CA-CE1 3.43Å; S482-F547 VanDerWaalsContact CA-CZ 3.44Å
483	L	82.7	Confident	79.1	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-46.6	176.8	179.9	65	0	0	0	111.9	R479 T480 A481 V485 C486 L487 A507 E510 L511 P514 F523	R479-L483 WeakPolarHBondContact O-CB 2.82Å; R479-L483 PolarHBondContact O-N 3.39Å; T480-L483 PolarHBondContact O-N 2.96Å; A481-L483 VanDerWaalsContact C-N 3.34Å; A481-L483 PolarHBondContact O-N 3.41Å; L483-V485 VanDerWaalsContact C-N 3.28Å; L483-V485 PolarHBondContact O-N 2.9Å; L483-C486 PolarHBondContact O-N 3.48Å; L483-L487 HydrophobicContact CD1-CD1 3.81Å; L483-L487 HydrophobicContact CD1-CG 3.95Å; L483-L487 HydrophobicContact CD2-CD1 4.46Å; L483-L487 HydrophobicContact CG-CD1 3.8Å; L483-L487 HydrophobicContact CG-CG 4.31Å; L483-L487 WeakPolarHBondContact O-CB 3.22Å; L483-L487 VanDerWaalsContact O-CG 3.24Å; L483-L487 WeakPolarHBondContact O-CG 3.39Å; L483-L487 PolarHBondContact O-N 3.18Å; L483-A507 HydrophobicContact CD1-CB 4.26Å; L483-E510 HydrophobicContact CD1-CB 3.86Å; L483-L511 HydrophobicContact CB-CD1 3.84Å; L483-L511 HydrophobicContact CD2-CB 4.45Å; L483-L511 HydrophobicContact CD2-CD1 3.76Å; L483-L511 HydrophobicContact CG-CD1 4.28Å; L483-P514 HydrophobicContact CD2-CG 4.41Å; L483-F523 HydrophobicContact CD2-CE1 3.96Å; L483-F523 HydrophobicContact CD2-CZ 4.01Å; L483-F523 HydrophobicContact CG-CE1 4.45Å
484	L	84.7	Confident	80.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-41.5	178.5	-69.8	169.9	0	0	0	111.4	F476 T480 A481 S482 N488 F523 H527 L530 F531	F476-L484 HydrophobicContact CD2-CD1 3.97Å; F476-L484 HydrophobicContact CE2-CD1 3.82Å; F476-L484 HydrophobicContact CG-CD1 4.44Å; F476-L484 HydrophobicContact CZ-CD1 4.15Å; T480-L484 HydrophobicContact CG2-CD1 4.31Å; T480-L484 VanDerWaalsContact O-CG 3.31Å; T480-L484 WeakPolarHBondContact O-CG 3.4Å; T480-L484 PolarHBondContact O-N 2.97Å; A481-L484 PolarHBondContact O-N 3.32Å; S482-L484 PolarHBondContact O-N 3.49Å; L484-N488 VanDerWaalsContact O-CB 3.22Å; L484-N488 WeakPolarHBondContact O-CB 3.21Å; L484-N488 PolarHBondContact O-N 3.33Å; L484-F523 HydrophobicContact CD2-CE1 3.56Å; L484-F523 HydrophobicContact CD2-CZ 3.68Å; L484-F523 HydrophobicContact CG-CE1 4.34Å; L484-F523 HydrophobicContact CG-CZ 4.1Å; L484-H527 HydrophobicContact CD2-CB 4.19Å; L484-H527 VanDerWaalsContact CD2-CD2 3.5Å; L484-H527 WeakPolarHBondContact CD2-CD2 3.27Å; L484-L530 HydrophobicContact CB-CD1 4.29Å; L484-L530 HydrophobicContact CD1-CD1 4.41Å; L484-L530 HydrophobicContact CD2-CD1 4.36Å; L484-F531 HydrophobicContact CD2-CE2 3.76Å; L484-F531 WeakPolarHBondContact O-CZ 3.37Å
485	V	82.9	Confident	82	Confident	11 Å²	11	53.5 Å²	53.5	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-44.8	178.4	173.3	0	0	0	0	111.6	Y463 A481 S482 L483 N488 N489 I544 F547	Y463-V485 HydrophobicContact CD2-CG2 3.86Å; Y463-V485 HydrophobicContact CG-CG2 4.25Å; A481-V485 WeakPolarHBondContact O-CG2 3.27Å; A481-V485 PolarHBondContact O-N 3.35Å; S482-V485 PolarHBondContact O-N 3.22Å; L483-V485 VanDerWaalsContact C-N 3.28Å; L483-V485 PolarHBondContact O-N 2.9Å; V485-N488 PolarHBondContact O-N 3.07Å; V485-N489 VanDerWaalsContact O-CB 3.31Å; V485-N489 WeakPolarHBondContact O-CB 3.42Å; V485-N489 PolarHBondContact O-N 3.31Å; V485-N489 PolarHBondContact O-ND2 2.82Å; V485-I544 HydrophobicContact CG1-CB 4.25Å; V485-I544 HydrophobicContact CG1-CG2 4.15Å; V485-I544 HydrophobicContact CG2-CB 4.39Å; V485-I544 HydrophobicContact CG2-CD1 4.26Å; V485-I544 HydrophobicContact CG2-CG2 3.81Å; V485-F547 HydrophobicContact CB-CB 4.28Å; V485-F547 HydrophobicContact CB-CG 4.18Å; V485-F547 HydrophobicContact CG1-CB 3.83Å; V485-F547 HydrophobicContact CG1-CG 4.21Å; V485-F547 HydrophobicContact CG2-CB 3.88Å; V485-F547 HydrophobicContact CG2-CD1 4.5Å; V485-F547 HydrophobicContact CG2-CD2 3.71Å; V485-F547 HydrophobicContact CG2-CE2 4.42Å; V485-F547 HydrophobicContact CG2-CG 3.75Å
486	C	86	Confident	83.1	Confident	33 Å²	33	51.6 Å²	51.6	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-49.4	178.9	-171.5	0	0	0	0	110.9	S482 L483 N488 N489 A490 E510	S482-C486 WeakPolarHBondContact O-CB 3.21Å; S482-C486 PolarHBondContact O-N 3.48Å; L483-C486 PolarHBondContact O-N 3.48Å; C486-N488 PolarHBondContact O-N 3.02Å; C486-N489 PolarHBondContact O-N 2.97Å; C486-A490 WeakPolarHBondContact O-CB 3.2Å; C486-A490 PolarHBondContact O-N 2.76Å; C486-E510 HydrophobicContact CB-CG 3.92Å
487	L	89.4	Confident	84.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-46	177.2	-68	174.4	0	0	0	111.9	L483 N489 A490 V491 L503 V506 A507 L520 F523 L524 F531	L483-L487 HydrophobicContact CD1-CD1 3.81Å; L483-L487 HydrophobicContact CD1-CG 3.95Å; L483-L487 HydrophobicContact CD2-CD1 4.46Å; L483-L487 HydrophobicContact CG-CD1 3.8Å; L483-L487 HydrophobicContact CG-CG 4.31Å; L483-L487 WeakPolarHBondContact O-CB 3.22Å; L483-L487 VanDerWaalsContact O-CG 3.24Å; L483-L487 WeakPolarHBondContact O-CG 3.39Å; L483-L487 PolarHBondContact O-N 3.18Å; L487-N489 PolarHBondContact O-N 3.41Å; L487-A490 PolarHBondContact O-N 2.77Å; L487-V491 WeakPolarHBondContact O-CG2 3.39Å; L487-V491 PolarHBondContact O-N 3.35Å; L487-L503 HydrophobicContact CD2-CB 4.3Å; L487-L503 HydrophobicContact CD2-CD2 4.16Å; L487-V506 HydrophobicContact CD2-CB 4.2Å; L487-V506 HydrophobicContact CD2-CG1 4.07Å; L487-A507 HydrophobicContact CD2-CB 4.12Å; L487-L520 HydrophobicContact CD1-CD1 3.91Å; L487-F523 HydrophobicContact CD1-CE1 4.47Å; L487-L524 HydrophobicContact CD1-CD2 4.04Å; L487-F531 HydrophobicContact CB-CE1 4.15Å; L487-F531 HydrophobicContact CB-CZ 3.99Å
488	N	88.8	Confident	85.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.011	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-48.2	178.1	172.6	-81.8	0	0	0	111.6	L484 V485 C486 A490 V491 W492 F531 C542 I544	L484-N488 VanDerWaalsContact O-CB 3.22Å; L484-N488 WeakPolarHBondContact O-CB 3.21Å; L484-N488 PolarHBondContact O-N 3.33Å; V485-N488 PolarHBondContact O-N 3.07Å; C486-N488 PolarHBondContact O-N 3.02Å; N488-A490 VanDerWaalsContact C-N 3.31Å; N488-A490 PolarHBondContact O-N 2.71Å; N488-V491 PolarHBondContact O-N 2.68Å; N488-W492 WeakPolarHBondContact O-CB 3.4Å; N488-W492 PolarHBondContact O-N 3.43Å; N488-F531 HydrophobicContact CB-CE1 4.02Å; N488-F531 HydrophobicContact CB-CZ 3.95Å; N488-C542 PolarHBondContact ND2-O 2.64Å; N488-C542 PolarHBondContact OD1-O 3.21Å; N488-I544 HydrophobicContact CB-CD1 3.63Å; N488-I544 HydrophobicContact CB-CG1 4.36Å; N488-I544 VanDerWaalsContact CG-CD1 3.45Å; N488-I544 WeakPolarHBondContact OD1-CG1 3.3Å; N488-I544 PolarHBondContact OD1-N 3.21Å
489	N	88.3	Confident	86.7	Confident	18 Å²	18	46.2 Å²	46.2	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-30.6	-178.7	-74.7	-21.6	0	0	0	112.6	V485 C486 L487 R493 K543 I544	V485-N489 VanDerWaalsContact O-CB 3.31Å; V485-N489 WeakPolarHBondContact O-CB 3.42Å; V485-N489 PolarHBondContact O-N 3.31Å; V485-N489 PolarHBondContact O-ND2 2.82Å; C486-N489 PolarHBondContact O-N 2.97Å; L487-N489 PolarHBondContact O-N 3.41Å; N489-R493 WeakPolarHBondContact O-CB 3.27Å; N489-R493 WeakPolarHBondContact O-CG 3.36Å; N489-R493 PolarHBondContact O-N 2.86Å; N489-K543 WeakPolarHBondContact OD1-CG 2.89Å; N489-I544 PolarHBondContact ND2-O 3.35Å; N489-I544 PolarHBondContact OD1-N 2.98Å; N489-I544 PolarHBondContact OD1-O 3.14Å
490	A	90.2	Very high	87.6	Confident	14 Å²	14	37.7 Å²	37.7	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-44.6	172.5	0	0	0	0	0	111.9	C486 L487 N488 R493 N494 L503 V506	C486-A490 WeakPolarHBondContact O-CB 3.2Å; C486-A490 PolarHBondContact O-N 2.76Å; L487-A490 PolarHBondContact O-N 2.77Å; N488-A490 VanDerWaalsContact C-N 3.31Å; N488-A490 PolarHBondContact O-N 2.71Å; A490-R493 PolarHBondContact O-N 3.21Å; A490-N494 PolarHBondContact O-N 3.2Å; A490-N494 PolarHBondContact O-ND2 2.86Å; A490-L503 HydrophobicContact CB-CD2 4.18Å; A490-V506 HydrophobicContact CB-CG1 4Å; A490-V506 HydrophobicContact CB-CG2 4.32Å
491	V	91.7	Very high	88.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-44	174.8	-176.9	0	0	0	0	110.7	L487 N488 R493 N494 N496 M498 L503 V538 V540	L487-V491 WeakPolarHBondContact O-CG2 3.39Å; L487-V491 PolarHBondContact O-N 3.35Å; N488-V491 PolarHBondContact O-N 2.68Å; V491-R493 PolarHBondContact O-N 3.08Å; V491-N494 PolarHBondContact O-N 3.19Å; V491-N494 VanDerWaalsContact O-N 3.13Å; V491-N496 WeakPolarHBondContact O-CA 3.31Å; V491-N496 PolarHBondContact O-N 3.33Å; V491-N496 VanDerWaalsContact O-N 3.13Å; V491-M498 HydrophobicContact CB-CB 4.42Å; V491-M498 HydrophobicContact CG1-CB 4.1Å; V491-M498 HydrophobicContact CG2-CB 4.14Å; V491-L503 HydrophobicContact CG2-CD1 3.63Å; V491-L503 HydrophobicContact CG2-CD2 3.76Å; V491-L503 HydrophobicContact CG2-CG 4.23Å; V491-V538 VanDerWaalsContact CG1-O 3.26Å; V491-V538 WeakPolarHBondContact CG1-O 3.29Å; V491-V538 HydrophobicContact CG2-CB 4.36Å; V491-V538 HydrophobicContact CG2-CG1 4.06Å; V491-V540 HydrophobicContact CB-CB 4.46Å; V491-V540 HydrophobicContact CB-CG1 3.83Å; V491-V540 HydrophobicContact CB-CG2 3.81Å; V491-V540 HydrophobicContact CG1-CB 4.32Å; V491-V540 HydrophobicContact CG1-CG1 3.93Å; V491-V540 HydrophobicContact CG1-CG2 3.72Å; V491-V540 HydrophobicContact CG2-CG1 4.28Å
492	W	89.4	Confident	88.9	Confident	85 Å²	85	41.8 Å²	41.8	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-47.4	178.3	-178.7	-94.1	0	0	0	112	N488 N494 G495 N496 V540 K541 C542 K543	N488-W492 WeakPolarHBondContact O-CB 3.4Å; N488-W492 PolarHBondContact O-N 3.43Å; W492-N494 PolarHBondContact O-N 2.8Å; W492-N494 VanDerWaalsContact O-N 3.15Å; W492-G495 PolarHBondContact O-N 2.94Å; W492-N496 HydrophobicContact CE3-CB 4.36Å; W492-N496 VanDerWaalsContact CE3-CG 3.45Å; W492-N496 HydrophobicContact CZ3-CB 4.44Å; W492-N496 VanDerWaalsContact CZ3-ND2 3.32Å; W492-N496 WeakPolarHBondContact CZ3-ND2 3.46Å; W492-N496 WeakPolarHBondContact CZ3-OD1 3.46Å; W492-N496 PolarHBondContact O-N 3.22Å; W492-N496 PolarHBondContact O-OD1 3.38Å; W492-V540 HydrophobicContact CB-CG2 4Å; W492-V540 HydrophobicContact CE3-CG2 4.24Å; W492-K541 VanDerWaalsContact CZ3-O 3.23Å; W492-K541 WeakPolarHBondContact CZ3-O 3.41Å; W492-C542 VanDerWaalsContact CE3-C 3.43Å; W492-C542 VanDerWaalsContact CE3-CA 3.45Å; W492-K543 HydrophobicContact CD2-CB 4Å; W492-K543 HydrophobicContact CG-CB 3.77Å; W492-K543 HydrophobicContact CG-CG 4.3Å
493	R	90.6	Very high	89.6	Confident	196 Å²	196	40.3 Å²	40.3	74%	0.74	23%	0.233	S	C	*	.	H	α-helix	trans	-60.1	-25.1	177.7	-75.9	173.4	-170.9	162.8	4.4	113.3	N489 A490 V491 G495	N489-R493 WeakPolarHBondContact O-CB 3.27Å; N489-R493 WeakPolarHBondContact O-CG 3.36Å; N489-R493 PolarHBondContact O-N 2.86Å; A490-R493 PolarHBondContact O-N 3.21Å; V491-R493 PolarHBondContact O-N 3.08Å; R493-G495 VanDerWaalsContact C-N 3.31Å; R493-G495 PolarHBondContact O-N 3.47Å
494	N	89.5	Confident	89.9	Confident	99 Å²	99	41.3 Å²	41.3	53%	0.529	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	22.4	177.3	-73.9	-63.8	0	0	0	113.5	A490 V491 W492 M498	A490-N494 PolarHBondContact O-N 3.2Å; A490-N494 PolarHBondContact O-ND2 2.86Å; V491-N494 PolarHBondContact O-N 3.19Å; V491-N494 VanDerWaalsContact O-N 3.13Å; W492-N494 PolarHBondContact O-N 2.8Å; W492-N494 VanDerWaalsContact O-N 3.15Å; N494-M498 HydrophobicContact CB-SD 4.31Å; N494-M498 PolarHBondContact ND2-SD 3.5Å
495	G	88.9	Confident	89.9	Confident	57 Å²	57	44.8 Å²	44.8	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	31.9	177.4	0	0	0	0	0	113.4	W492 R493 S497	W492-G495 PolarHBondContact O-N 2.94Å; R493-G495 VanDerWaalsContact C-N 3.31Å; R493-G495 PolarHBondContact O-N 3.47Å; G495-S497 PolarHBondContact O-N 3.32Å
496	N	91.3	Very high	90	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	27%	0.267	S	S	.	.	S	Bend	trans	72.1	3.5	173.1	-48.8	-15.7	0	0	0	115.4	V491 W492 E539 V540	V491-N496 WeakPolarHBondContact O-CA 3.31Å; V491-N496 PolarHBondContact O-N 3.33Å; V491-N496 VanDerWaalsContact O-N 3.13Å; W492-N496 HydrophobicContact CE3-CB 4.36Å; W492-N496 VanDerWaalsContact CE3-CG 3.45Å; W492-N496 HydrophobicContact CZ3-CB 4.44Å; W492-N496 VanDerWaalsContact CZ3-ND2 3.32Å; W492-N496 WeakPolarHBondContact CZ3-ND2 3.46Å; W492-N496 WeakPolarHBondContact CZ3-OD1 3.46Å; W492-N496 PolarHBondContact O-N 3.22Å; W492-N496 PolarHBondContact O-OD1 3.38Å; N496-E539 VanDerWaalsContact O-CA 3.26Å; N496-E539 WeakPolarHBondContact O-CA 3.48Å; N496-V540 PolarHBondContact O-N 3.45Å
497	S	93.2	Very high	90	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.9	-179.6	-170.3	0	0	0	0	109.9	G495 T537 V538	G495-S497 PolarHBondContact O-N 3.32Å; S497-T537 WeakPolarHBondContact OG-CG2 3.26Å; S497-V538 CarbonylContact C-O 3.5Å; S497-V538 WeakPolarHBondContact CA-O 3.39Å
498	M	93.9	Very high	89.7	Confident	22 Å²	22	46.1 Å²	46.1	11%	0.108	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	137.4	-177	-168.3	170.6	-172.7	0	0	111.3	V491 N494 I500 S502 L503 V538	V491-M498 HydrophobicContact CB-CB 4.42Å; V491-M498 HydrophobicContact CG1-CB 4.1Å; V491-M498 HydrophobicContact CG2-CB 4.14Å; N494-M498 HydrophobicContact CB-SD 4.31Å; N494-M498 PolarHBondContact ND2-SD 3.5Å; M498-I500 PolarHBondContact O-N 3.33Å; M498-S502 VanDerWaalsContact CE-CB 3.46Å; M498-L503 HydrophobicContact CE-CD2 4.46Å; M498-L503 HydrophobicContact CG-CD2 4.5Å; M498-L503 HydrophobicContact CG-CG 4.32Å; M498-L503 HydrophobicContact SD-CD2 3.56Å; M498-L503 VanDerWaalsContact SD-CD2 3.56Å; M498-L503 HydrophobicContact SD-CG 3.97Å; M498-V538 PolarHBondContact N-O 2.82Å; M498-V538 PolarHBondContact O-N 2.93Å
499	P	94.7	Very high	89.2	Confident	72 Å²	72	53.5 Å²	53.5	47%	0.468	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	135.1	172.3	-23	33.6	0	0	0	111.1	A501 S502	P499-A501 PolarHBondContact O-N 3.24Å; P499-S502 WeakPolarHBondContact O-CB 3.19Å; P499-S502 PolarHBondContact O-N 3.26Å
500	I	92.9	Very high	88.3	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-31.3	-177.1	-166.2	162.3	0	0	0	112.6	M498 S502 L503 V504 V517 L520 Q521 L524 V533 G536 V538	M498-I500 PolarHBondContact O-N 3.33Å; I500-S502 PolarHBondContact O-N 2.9Å; I500-L503 PolarHBondContact O-N 3.4Å; I500-V504 PolarHBondContact O-N 3.48Å; I500-V517 HydrophobicContact CG1-CG1 4.48Å; I500-V517 HydrophobicContact CG2-CG1 3.51Å; I500-L520 HydrophobicContact CD1-CG 4.49Å; I500-L520 HydrophobicContact CG1-CD2 4.1Å; I500-L520 HydrophobicContact CG1-CG 4.32Å; I500-Q521 VanDerWaalsContact CD1-CA 3.48Å; I500-Q521 HydrophobicContact CD1-CB 3.55Å; I500-Q521 HydrophobicContact CD1-CG 4.02Å; I500-L524 HydrophobicContact CD1-CD1 4.29Å; I500-V533 HydrophobicContact CD1-CG1 4.38Å; I500-G536 WeakPolarHBondContact CB-O 3.06Å; I500-G536 VanDerWaalsContact CG2-O 3.29Å; I500-G536 WeakPolarHBondContact CG2-O 3.25Å; I500-G536 PolarHBondContact N-O 3.26Å; I500-V538 HydrophobicContact CB-CG2 3.92Å; I500-V538 HydrophobicContact CD1-CG2 4.16Å; I500-V538 HydrophobicContact CG1-CG2 4Å
501	A	90.5	Very high	87.2	Confident	64 Å²	64	57.5 Å²	57.5	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-36	176.2	0	0	0	0	0	112.2	P499 L503 V504 V517	P499-A501 PolarHBondContact O-N 3.24Å; A501-L503 VanDerWaalsContact C-N 3.31Å; A501-L503 PolarHBondContact O-N 2.82Å; A501-V504 PolarHBondContact O-N 3.47Å; A501-V517 HydrophobicContact CB-CG2 4.28Å
502	S	90.7	Very high	85.7	Confident	53 Å²	53	62 Å²	62	37%	0.371	36%	0.356	S	S	.	.	H	α-helix	trans	-75.8	-19.2	178.1	-51.4	0	0	0	0	113	M498 P499 I500 S505	M498-S502 VanDerWaalsContact CE-CB 3.46Å; P499-S502 WeakPolarHBondContact O-CB 3.19Å; P499-S502 PolarHBondContact O-N 3.26Å; I500-S502 PolarHBondContact O-N 2.9Å; S502-S505 PolarHBondContact O-OG 3.47Å; S502-S505 VanDerWaalsContact O-OG 3.12Å
503	L	90.9	Very high	84.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-83.2	-17	175.7	-71.4	171.1	0	0	0	112.9	L487 A490 V491 M498 I500 A501 S505 V506 A507 L520 L524 V538	L487-L503 HydrophobicContact CD2-CB 4.3Å; L487-L503 HydrophobicContact CD2-CD2 4.16Å; A490-L503 HydrophobicContact CB-CD2 4.18Å; V491-L503 HydrophobicContact CG2-CD1 3.63Å; V491-L503 HydrophobicContact CG2-CD2 3.76Å; V491-L503 HydrophobicContact CG2-CG 4.23Å; M498-L503 HydrophobicContact CE-CD2 4.46Å; M498-L503 HydrophobicContact CG-CD2 4.5Å; M498-L503 HydrophobicContact CG-CG 4.32Å; M498-L503 HydrophobicContact SD-CD2 3.56Å; M498-L503 VanDerWaalsContact SD-CD2 3.56Å; M498-L503 HydrophobicContact SD-CG 3.97Å; I500-L503 PolarHBondContact O-N 3.4Å; A501-L503 VanDerWaalsContact C-N 3.31Å; A501-L503 PolarHBondContact O-N 2.82Å; L503-S505 VanDerWaalsContact C-N 3.29Å; L503-S505 PolarHBondContact O-N 3.46Å; L503-V506 HydrophobicContact CD2-CG2 4.49Å; L503-V506 PolarHBondContact O-N 3.03Å; L503-A507 WeakPolarHBondContact O-CB 3.34Å; L503-A507 PolarHBondContact O-N 3.5Å; L503-L520 HydrophobicContact CB-CD2 3.72Å; L503-L524 HydrophobicContact CD1-CD1 4.46Å; L503-V538 HydrophobicContact CD1-CB 3.74Å; L503-V538 HydrophobicContact CD1-CG1 4.06Å; L503-V538 HydrophobicContact CD1-CG2 3.64Å
504	V	88.6	Confident	82.8	Confident	26 Å²	26	53.8 Å²	53.8	16%	0.158	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-40.3	177.7	178.7	0	0	0	0	110.9	I500 A501 A507 A508 V517 L520	I500-V504 PolarHBondContact O-N 3.48Å; A501-V504 PolarHBondContact O-N 3.47Å; V504-A507 PolarHBondContact O-N 2.98Å; V504-A508 WeakPolarHBondContact O-CB 3.45Å; V504-A508 PolarHBondContact O-N 2.75Å; V504-V517 HydrophobicContact CG2-CB 4.49Å; V504-V517 HydrophobicContact CG2-CG2 3.73Å; V504-L520 HydrophobicContact CG2-CD2 4Å
505	S	85.2	Confident	81.9	Confident	73 Å²	73	54.3 Å²	54.3	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-38.6	175.9	57	0	0	0	0	112.3	S502 L503 A508 E509	S502-S505 PolarHBondContact O-OG 3.47Å; S502-S505 VanDerWaalsContact O-OG 3.12Å; L503-S505 VanDerWaalsContact C-N 3.29Å; L503-S505 PolarHBondContact O-N 3.46Å; S505-A508 PolarHBondContact O-N 3.31Å; S505-E509 PolarHBondContact O-N 3.38Å
506	V	85.5	Confident	81.7	Confident	24 Å²	24	54.7 Å²	54.7	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-42.6	176	-176.8	0	0	0	0	110.7	L487 A490 L503 A508 E509	L487-V506 HydrophobicContact CD2-CB 4.2Å; L487-V506 HydrophobicContact CD2-CG1 4.07Å; A490-V506 HydrophobicContact CB-CG1 4Å; A490-V506 HydrophobicContact CB-CG2 4.32Å; L503-V506 HydrophobicContact CD2-CG2 4.49Å; L503-V506 PolarHBondContact O-N 3.03Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 2.95Å; V506-E509 PolarHBondContact O-N 2.88Å
507	A	86.2	Confident	81.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-40.3	178.1	0	0	0	0	0	111.8	L483 L487 L503 V504 E509 E510 L511 P514 L520	L483-A507 HydrophobicContact CD1-CB 4.26Å; L487-A507 HydrophobicContact CD2-CB 4.12Å; L503-A507 WeakPolarHBondContact O-CB 3.34Å; L503-A507 PolarHBondContact O-N 3.5Å; V504-A507 PolarHBondContact O-N 2.98Å; A507-E509 VanDerWaalsContact C-N 3.27Å; A507-E509 PolarHBondContact O-N 2.59Å; A507-E510 PolarHBondContact O-N 2.63Å; A507-L511 PolarHBondContact O-N 2.73Å; A507-P514 HydrophobicContact CB-CB 4.5Å; A507-P514 HydrophobicContact CB-CG 4.23Å; A507-L520 HydrophobicContact CB-CD1 4.18Å; A507-L520 HydrophobicContact CB-CD2 4.43Å
508	A	81.6	Confident	81.1	Confident	49 Å²	49	55.4 Å²	55.4	41%	0.405	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-26.2	-179.7	0	0	0	0	0	113.5	V504 S505 V506	V504-A508 WeakPolarHBondContact O-CB 3.45Å; V504-A508 PolarHBondContact O-N 2.75Å; S505-A508 PolarHBondContact O-N 3.31Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 2.95Å
509	E	78.5	Confident	80.7	Confident	157 Å²	157	58.7 Å²	58.7	73%	0.734	36%	0.355	S	S	*	.	H	α-helix	trans	-69	-34.7	174	-72	174.6	-169.4	0	0	112.2	S505 V506 A507	S505-E509 PolarHBondContact O-N 3.38Å; V506-E509 PolarHBondContact O-N 2.88Å; A507-E509 VanDerWaalsContact C-N 3.27Å; A507-E509 PolarHBondContact O-N 2.59Å
510	E	70.9	Confident	80.5	Confident	87 Å²	87	55.2 Å²	55.2	41%	0.407	33%	0.332	S	S	.	.	H	α-helix	trans	-93.7	-38.3	-176	-69.7	-72.1	152.7	0	0	113	S482 L483 C486 A507	S482-E510 PolarHBondContact OG-OE2 3.18Å; L483-E510 HydrophobicContact CD1-CB 3.86Å; C486-E510 HydrophobicContact CB-CG 3.92Å; A507-E510 PolarHBondContact O-N 2.63Å
511	L	67.1	Low	80.3	Confident	28 Å²	28	58.8 Å²	58.8	15%	0.147	35%	0.349	C	S	.	.			trans	-146.4	125.1	-177.3	-96.5	144.5	0	0	0	110.7	R479 L483 A507 T513 P514	R479-L511 HydrophobicContact CB-CD1 4.19Å; L483-L511 HydrophobicContact CB-CD1 3.84Å; L483-L511 HydrophobicContact CD2-CB 4.45Å; L483-L511 HydrophobicContact CD2-CD1 3.76Å; L483-L511 HydrophobicContact CG-CD1 4.28Å; A507-L511 PolarHBondContact O-N 2.73Å; L511-T513 PolarHBondContact O-N 3.12Å; L511-P514 WeakPolarHBondContact O-CD 3.44Å
512	P	59.5	Low	80.1	Confident	96 Å²	96	59.2 Å²	59.2	62%	0.623	35%	0.348	S	S	*	.	S	Bend	trans	-74.7	12.9	-177.8	28.9	-34.3	0	0	0	114.5	N515	P512-N515 VanDerWaalsContact O-CG 3.31Å; P512-N515 PolarHBondContact O-ND2 3.2Å; P512-N515 PolarHBondContact O-OD1 2.84Å
513	T	59.1	Low	79.9	Confident	97 Å²	97	58 Å²	58	60%	0.595	34%	0.336	S	S	*	.	S	Bend	trans	-105.4	-26	-169.4	39.3	0	0	0	0	116.4	L511 N515	L511-T513 PolarHBondContact O-N 3.12Å; T513-N515 PolarHBondContact O-N 3.41Å
514	P	59.9	Low	79.7	Confident	11 Å²	11	58 Å²	58	7%	0.071	34%	0.336	C	S	.	.			trans	-90.5	84.3	164.8	4.7	15.5	0	0	0	109.2	L483 A507 L511 L520	L483-P514 HydrophobicContact CD2-CG 4.41Å; A507-P514 HydrophobicContact CB-CB 4.5Å; A507-P514 HydrophobicContact CB-CG 4.23Å; L511-P514 WeakPolarHBondContact O-CD 3.44Å; P514-L520 HydrophobicContact CB-CB 4.44Å; P514-L520 HydrophobicContact CB-CD1 4.45Å
515	N	70.7	Confident	79.5	Confident	110 Å²	110	58.6 Å²	58.6	59%	0.588	34%	0.344	S	S	*	.			trans	-89.8	-2.1	-175.5	-71.3	-28.8	0	0	0	113.6	P512 T513 E519	P512-N515 VanDerWaalsContact O-CG 3.31Å; P512-N515 PolarHBondContact O-ND2 3.2Å; P512-N515 PolarHBondContact O-OD1 2.84Å; T513-N515 PolarHBondContact O-N 3.41Å; N515-E519 PolarHBondContact N-OE2 3.15Å
516	N	84.2	Confident	79.3	Confident	64 Å²	64	63.6 Å²	63.6	34%	0.342	35%	0.352	S	S	.	.	S	Bend	trans	-142.9	163.2	179	66.2	59.5	0	0	0	112.9	A518 E519 L520	N516-A518 VanDerWaalsContact C-N 3.31Å; N516-A518 PolarHBondContact O-N 3.28Å; N516-A518 PolarHBondContact OD1-N 3.49Å; N516-A518 VanDerWaalsContact OD1-N 3.15Å; N516-E519 PolarHBondContact ND2-OE1 3.38Å; N516-E519 PolarHBondContact O-N 3.05Å; N516-E519 WeakPolarHBondContact OD1-CB 3.4Å; N516-E519 WeakPolarHBondContact OD1-CG 3.33Å; N516-E519 PolarHBondContact OD1-N 3.12Å; N516-L520 PolarHBondContact O-N 2.85Å
517	V	86.4	Confident	79.2	Confident	56 Å²	56	63.6 Å²	63.6	34%	0.339	35%	0.35	S	S	.	.	H	α-helix	trans	-58.8	-39.5	-178.5	170	0	0	0	0	112.4	I500 A501 V504 L520 Q521	I500-V517 HydrophobicContact CG1-CG1 4.48Å; I500-V517 HydrophobicContact CG2-CG1 3.51Å; A501-V517 HydrophobicContact CB-CG2 4.28Å; V504-V517 HydrophobicContact CG2-CB 4.49Å; V504-V517 HydrophobicContact CG2-CG2 3.73Å; V517-L520 PolarHBondContact O-N 3.23Å; V517-Q521 VanDerWaalsContact O-CB 3.24Å; V517-Q521 WeakPolarHBondContact O-CB 3.36Å; V517-Q521 PolarHBondContact O-N 2.84Å
518	A	86.5	Confident	78.9	Confident	67 Å²	67	73.2 Å²	73.2	55%	0.554	39%	0.386	S	S	*	.	H	α-helix	trans	-68.9	-41.2	-174.8	0	0	0	0	0	112.3	N516 Q521 S522	N516-A518 VanDerWaalsContact C-N 3.31Å; N516-A518 PolarHBondContact O-N 3.28Å; N516-A518 PolarHBondContact OD1-N 3.49Å; N516-A518 VanDerWaalsContact OD1-N 3.15Å; A518-Q521 PolarHBondContact O-N 2.86Å; A518-S522 WeakPolarHBondContact O-CB 3.3Å; A518-S522 PolarHBondContact O-N 3.44Å
519	E	85.9	Confident	78.7	Confident	90 Å²	90	78 Å²	78	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-45.5	175.3	-77.2	166	-160.3	0	0	111.6	N515 N516 Q521 S522 F523	N515-E519 PolarHBondContact N-OE2 3.15Å; N516-E519 PolarHBondContact ND2-OE1 3.38Å; N516-E519 PolarHBondContact O-N 3.05Å; N516-E519 WeakPolarHBondContact OD1-CB 3.4Å; N516-E519 WeakPolarHBondContact OD1-CG 3.33Å; N516-E519 PolarHBondContact OD1-N 3.12Å; E519-Q521 VanDerWaalsContact C-N 3.29Å; E519-Q521 PolarHBondContact O-N 3.41Å; E519-S522 PolarHBondContact O-N 3.38Å; E519-F523 WeakPolarHBondContact O-CB 3.43Å; E519-F523 PolarHBondContact O-N 2.94Å
520	L	89.4	Confident	78.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-41.2	176.2	-175.2	59.8	0	0	0	110.7	L487 I500 L503 V504 A507 P514 N516 V517 S522 F523 L524	L487-L520 HydrophobicContact CD1-CD1 3.91Å; I500-L520 HydrophobicContact CD1-CG 4.49Å; I500-L520 HydrophobicContact CG1-CD2 4.1Å; I500-L520 HydrophobicContact CG1-CG 4.32Å; L503-L520 HydrophobicContact CB-CD2 3.72Å; V504-L520 HydrophobicContact CG2-CD2 4Å; A507-L520 HydrophobicContact CB-CD1 4.18Å; A507-L520 HydrophobicContact CB-CD2 4.43Å; P514-L520 HydrophobicContact CB-CB 4.44Å; P514-L520 HydrophobicContact CB-CD1 4.45Å; N516-L520 PolarHBondContact O-N 2.85Å; V517-L520 PolarHBondContact O-N 3.23Å; L520-S522 PolarHBondContact O-N 2.92Å; L520-F523 PolarHBondContact O-N 3.19Å; L520-L524 HydrophobicContact CD1-CD1 4.21Å; L520-L524 HydrophobicContact CD1-CG 4.12Å; L520-L524 HydrophobicContact CG-CD1 4.01Å; L520-L524 HydrophobicContact CG-CG 4.33Å; L520-L524 WeakPolarHBondContact O-CB 3.16Å; L520-L524 VanDerWaalsContact O-CG 3.26Å; L520-L524 WeakPolarHBondContact O-CG 3.42Å; L520-L524 PolarHBondContact O-N 3.15Å
521	Q	89.3	Confident	79.5	Confident	83 Å²	83	67.3 Å²	67.3	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-46.4	176.1	-170.1	166.8	-1.7	0	0	111.7	I500 V517 A518 E519 F523 L524 A525 V533	I500-Q521 VanDerWaalsContact CD1-CA 3.48Å; I500-Q521 HydrophobicContact CD1-CB 3.55Å; I500-Q521 HydrophobicContact CD1-CG 4.02Å; V517-Q521 VanDerWaalsContact O-CB 3.24Å; V517-Q521 WeakPolarHBondContact O-CB 3.36Å; V517-Q521 PolarHBondContact O-N 2.84Å; A518-Q521 PolarHBondContact O-N 2.86Å; E519-Q521 VanDerWaalsContact C-N 3.29Å; E519-Q521 PolarHBondContact O-N 3.41Å; Q521-F523 VanDerWaalsContact C-N 3.35Å; Q521-L524 PolarHBondContact O-N 2.79Å; Q521-A525 WeakPolarHBondContact O-CB 3.25Å; Q521-A525 PolarHBondContact O-N 3.37Å; Q521-V533 HydrophobicContact CG-CG1 4.15Å
522	S	85.5	Confident	80.7	Confident	73 Å²	73	72.4 Å²	72.4	51%	0.51	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-40.6	176.6	-177.9	0	0	0	0	112	A518 E519 L520 R526	A518-S522 WeakPolarHBondContact O-CB 3.3Å; A518-S522 PolarHBondContact O-N 3.44Å; E519-S522 PolarHBondContact O-N 3.38Å; L520-S522 PolarHBondContact O-N 2.92Å; S522-R526 PolarHBondContact O-N 3.19Å
523	F	86.6	Confident	82.2	Confident	27 Å²	27	69.5 Å²	69.5	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-53	175.1	177.4	-98.7	0	0	0	111.9	T480 L483 L484 L487 E519 L520 Q521 A525 R526 H527	T480-F523 HydrophobicContact CG2-CE2 4.33Å; T480-F523 HydrophobicContact CG2-CZ 4.24Å; L483-F523 HydrophobicContact CD2-CE1 3.96Å; L483-F523 HydrophobicContact CD2-CZ 4.01Å; L483-F523 HydrophobicContact CG-CE1 4.45Å; L484-F523 HydrophobicContact CD2-CE1 3.56Å; L484-F523 HydrophobicContact CD2-CZ 3.68Å; L484-F523 HydrophobicContact CG-CE1 4.34Å; L484-F523 HydrophobicContact CG-CZ 4.1Å; L487-F523 HydrophobicContact CD1-CE1 4.47Å; E519-F523 WeakPolarHBondContact O-CB 3.43Å; E519-F523 PolarHBondContact O-N 2.94Å; L520-F523 PolarHBondContact O-N 3.19Å; Q521-F523 VanDerWaalsContact C-N 3.35Å; F523-A525 VanDerWaalsContact C-N 3.31Å; F523-A525 PolarHBondContact O-N 3.14Å; F523-R526 WeakPolarHBondContact O-CB 3.22Å; F523-R526 PolarHBondContact O-N 3.16Å; F523-R526 VanDerWaalsContact O-N 3.16Å; F523-H527 AromaticContact CE2-CE1 3.83Å; F523-H527 PolarHBondContact O-ND1 2.86Å
524	L	87.5	Confident	83.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.4	-35.6	179.6	-64.7	177.6	0	0	0	112.2	L487 I500 L503 L520 Q521 R526 H527 F531 V533 V538	L487-L524 HydrophobicContact CD1-CD2 4.04Å; I500-L524 HydrophobicContact CD1-CD1 4.29Å; L503-L524 HydrophobicContact CD1-CD1 4.46Å; L520-L524 HydrophobicContact CD1-CD1 4.21Å; L520-L524 HydrophobicContact CD1-CG 4.12Å; L520-L524 HydrophobicContact CG-CD1 4.01Å; L520-L524 HydrophobicContact CG-CG 4.33Å; L520-L524 WeakPolarHBondContact O-CB 3.16Å; L520-L524 VanDerWaalsContact O-CG 3.26Å; L520-L524 WeakPolarHBondContact O-CG 3.42Å; L520-L524 PolarHBondContact O-N 3.15Å; Q521-L524 PolarHBondContact O-N 2.79Å; L524-R526 PolarHBondContact O-N 3.16Å; L524-H527 CarbonylContact O-C 3.56Å; L524-H527 WeakPolarHBondContact O-CA 3.29Å; L524-H527 PolarHBondContact O-N 3.36Å; L524-F531 HydrophobicContact CB-CB 4.33Å; L524-F531 HydrophobicContact CB-CG 4.47Å; L524-F531 HydrophobicContact CD2-CB 4.46Å; L524-F531 HydrophobicContact CD2-CD1 3.96Å; L524-F531 HydrophobicContact CD2-CD2 3.56Å; L524-F531 HydrophobicContact CD2-CE1 4Å; L524-F531 HydrophobicContact CD2-CE2 3.63Å; L524-F531 HydrophobicContact CD2-CG 3.73Å; L524-F531 HydrophobicContact CD2-CZ 3.84Å; L524-V533 HydrophobicContact CB-CG2 3.94Å; L524-V538 HydrophobicContact CD1-CG1 4.12Å; L524-V538 HydrophobicContact CD1-CG2 3.81Å
525	A	84.2	Confident	85	Confident	39 Å²	39	77 Å²	77	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-18.9	177.5	0	0	0	0	0	113.9	Q521 F523 H527 R528	Q521-A525 WeakPolarHBondContact O-CB 3.25Å; Q521-A525 PolarHBondContact O-N 3.37Å; F523-A525 VanDerWaalsContact C-N 3.31Å; F523-A525 PolarHBondContact O-N 3.14Å; A525-H527 VanDerWaalsContact C-N 3.33Å; A525-R528 WeakPolarHBondContact O-CG 3.37Å; A525-R528 PolarHBondContact O-NE 3.17Å; A525-R528 VanDerWaalsContact O-NE 3.07Å
526	R	79.8	Confident	85.9	Confident	178 Å²	178	73.1 Å²	73.1	67%	0.672	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.8	170.2	-69.4	-177.4	-73.4	171.5	-2.8	112.9	S522 F523 L524	S522-R526 PolarHBondContact O-N 3.19Å; F523-R526 WeakPolarHBondContact O-CB 3.22Å; F523-R526 PolarHBondContact O-N 3.16Å; F523-R526 VanDerWaalsContact O-N 3.16Å; L524-R526 PolarHBondContact O-N 3.16Å
527	H	83.3	Confident	86.3	Confident	23 Å²	23	72.1 Å²	72.1	11%	0.106	36%	0.357	C	S	.	.			trans	-113.6	46	-173.3	-58.8	73.7	0	0	0	111	F476 L484 F523 L524 A525 R529 L530 F531	F476-H527 AromaticContact CE1-NE2 3.56Å; F476-H527 AromaticContact CZ-CD2 3.62Å; F476-H527 AromaticContact CZ-NE2 3.31Å; F476-H527 VanDerWaalsContact CZ-NE2 3.31Å; F476-H527 WeakPolarHBondContact CZ-NE2 3.27Å; L484-H527 HydrophobicContact CD2-CB 4.19Å; L484-H527 VanDerWaalsContact CD2-CD2 3.5Å; L484-H527 WeakPolarHBondContact CD2-CD2 3.27Å; F523-H527 AromaticContact CE2-CE1 3.83Å; F523-H527 PolarHBondContact O-ND1 2.86Å; L524-H527 CarbonylContact O-C 3.56Å; L524-H527 WeakPolarHBondContact O-CA 3.29Å; L524-H527 PolarHBondContact O-N 3.36Å; A525-H527 VanDerWaalsContact C-N 3.33Å; H527-R529 PolarHBondContact O-N 3.09Å; H527-L530 PolarHBondContact O-N 3.44Å; H527-F531 HydrophobicContact CB-CD2 4.06Å; H527-F531 HydrophobicContact CB-CE2 4.5Å; H527-F531 PolarHBondContact O-N 3.49Å
528	R	81	Confident	86.7	Confident	203 Å²	203	69.5 Å²	69.5	77%	0.766	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18.5	-172.2	-56.6	-173.3	-177.1	-179.3	-3.2	115	A525 L530 F531	A525-R528 WeakPolarHBondContact O-CG 3.37Å; A525-R528 PolarHBondContact O-NE 3.17Å; A525-R528 VanDerWaalsContact O-NE 3.07Å; R528-L530 VanDerWaalsContact C-N 3.31Å; R528-F531 WeakPolarHBondContact CA-O 3.45Å
529	R	76.7	Confident	87	Confident	148 Å²	148	69.9 Å²	69.9	56%	0.558	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.4	174.9	-62.2	-172.7	87.5	175.8	6.1	111.8	P462 H527	P462-R529 HydrophobicContact CB-CB 4.04Å; P462-R529 HydrophobicContact CG-CB 4.16Å; H527-R529 PolarHBondContact O-N 3.09Å
530	L	79.6	Confident	87.2	Confident	17 Å²	17	66 Å²	66	9%	0.089	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-41.8	179.9	-71.6	175.2	0	0	0	112.3	P462 L484 H527 R528 I544	P462-L530 HydrophobicContact CB-CG 4.28Å; P462-L530 HydrophobicContact CG-CD2 3.67Å; P462-L530 HydrophobicContact CG-CG 3.91Å; L484-L530 HydrophobicContact CB-CD1 4.29Å; L484-L530 HydrophobicContact CD1-CD1 4.41Å; L484-L530 HydrophobicContact CD2-CD1 4.36Å; H527-L530 PolarHBondContact O-N 3.44Å; R528-L530 VanDerWaalsContact C-N 3.31Å; L530-I544 HydrophobicContact CD2-CD1 3.87Å
531	F	87.3	Confident	86.9	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.8	-171.2	-56	-81.8	0	0	0	111.1	L484 L487 N488 L524 H527 R528 V538 V540	L484-F531 HydrophobicContact CD2-CE2 3.76Å; L484-F531 WeakPolarHBondContact O-CZ 3.37Å; L487-F531 HydrophobicContact CB-CE1 4.15Å; L487-F531 HydrophobicContact CB-CZ 3.99Å; N488-F531 HydrophobicContact CB-CE1 4.02Å; N488-F531 HydrophobicContact CB-CZ 3.95Å; L524-F531 HydrophobicContact CB-CB 4.33Å; L524-F531 HydrophobicContact CB-CG 4.47Å; L524-F531 HydrophobicContact CD2-CB 4.46Å; L524-F531 HydrophobicContact CD2-CD1 3.96Å; L524-F531 HydrophobicContact CD2-CD2 3.56Å; L524-F531 HydrophobicContact CD2-CE1 4Å; L524-F531 HydrophobicContact CD2-CE2 3.63Å; L524-F531 HydrophobicContact CD2-CG 3.73Å; L524-F531 HydrophobicContact CD2-CZ 3.84Å; H527-F531 HydrophobicContact CB-CD2 4.06Å; H527-F531 HydrophobicContact CB-CE2 4.5Å; H527-F531 PolarHBondContact O-N 3.49Å; R528-F531 WeakPolarHBondContact CA-O 3.45Å; F531-V538 HydrophobicContact CB-CG1 4.15Å; F531-V538 HydrophobicContact CD1-CG1 3.65Å; F531-V538 HydrophobicContact CG-CG1 4.32Å; F531-V540 HydrophobicContact CD1-CG1 3.61Å; F531-V540 HydrophobicContact CE1-CG1 3.83Å
532	R	91.9	Very high	86.4	Confident	134 Å²	134	74.4 Å²	74.4	51%	0.506	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.2	165.1	-176.8	-178	-174.5	-163.9	-2.7	107.9	E534 V538 E539	R532-E534 HydrophobicContact CG-CG 4.21Å; R532-E534 VanDerWaalsContact CZ-CD 3.49Å; R532-E534 IonicContact CZ-OE1 3.94Å; R532-E534 IonicContact CZ-OE2 2.77Å; R532-E534 IonicContact NE-OE1 2.86Å; R532-E534 PolarHBondContact NE-OE1 3.31Å; R532-E534 IonicContact NE-OE2 3.49Å; R532-E534 IonicContact NH2-OE1 2.68Å; R532-E534 PolarHBondContact NH2-OE1 3.01Å; R532-E534 IonicContact NH2-OE2 3.79Å; R532-E534 PolarHBondContact NH2-OE2 2.95Å; R532-V538 CarbonylContact O-C 3.36Å; R532-V538 WeakPolarHBondContact O-CA 3.43Å; R532-E539 HydrophobicContact CB-CB 4.3Å; R532-E539 PolarHBondContact N-O 3.22Å; R532-E539 IonicContact NH1-OE2 3.02Å; R532-E539 PolarHBondContact O-N 2.93Å
533	V	90.7	Very high	86.2	Confident	35 Å²	35	75.1 Å²	75.1	21%	0.212	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.2	-179.8	-170.8	0	0	0	0	108.9	I500 Q521 L524 T537 V538	I500-V533 HydrophobicContact CD1-CG1 4.38Å; Q521-V533 HydrophobicContact CG-CG1 4.15Å; L524-V533 HydrophobicContact CB-CG2 3.94Å; V533-T537 WeakPolarHBondContact CA-O 3.46Å; V533-V538 HydrophobicContact CG1-CG2 4.41Å; V533-V538 HydrophobicContact CG2-CG2 4.2Å
534	E	89.2	Confident	85.5	Confident	93 Å²	93	74.2 Å²	74.2	44%	0.435	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.4	-179.7	-72.7	-174.3	-178.3	0	0	110.3	R532 G536 T537	R532-E534 HydrophobicContact CG-CG 4.21Å; R532-E534 VanDerWaalsContact CZ-CD 3.49Å; R532-E534 IonicContact CZ-OE1 3.94Å; R532-E534 IonicContact CZ-OE2 2.77Å; R532-E534 IonicContact NE-OE1 2.86Å; R532-E534 PolarHBondContact NE-OE1 3.31Å; R532-E534 IonicContact NE-OE2 3.49Å; R532-E534 IonicContact NH2-OE1 2.68Å; R532-E534 PolarHBondContact NH2-OE1 3.01Å; R532-E534 IonicContact NH2-OE2 3.79Å; R532-E534 PolarHBondContact NH2-OE2 2.95Å; E534-G536 PolarHBondContact O-N 3.15Å; E534-T537 PolarHBondContact N-O 2.94Å; E534-T537 WeakPolarHBondContact O-CB 3.3Å; E534-T537 PolarHBondContact O-N 2.99Å
535	N	89.1	Confident	84.4	Confident	172 Å²	172	79 Å²	79	92%	0.92	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.1	177.3	-59.9	-27.3	0	0	0	114.8	T537	N535-T537 VanDerWaalsContact C-N 3.29Å; N535-T537 PolarHBondContact O-N 3.22Å
536	G	90	Very high	83	Confident	29 Å²	29	79.2 Å²	79.2	30%	0.299	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	5.4	-178.7	0	0	0	0	0	114.7	I500 E534	I500-G536 WeakPolarHBondContact CB-O 3.06Å; I500-G536 VanDerWaalsContact CG2-O 3.29Å; I500-G536 WeakPolarHBondContact CG2-O 3.25Å; I500-G536 PolarHBondContact N-O 3.26Å; E534-G536 PolarHBondContact O-N 3.15Å
537	T	92.7	Very high	81.9	Confident	44 Å²	44	71.8 Å²	71.8	27%	0.27	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.5	175.8	-56.3	0	0	0	0	109.8	S497 V533 E534 N535	S497-T537 WeakPolarHBondContact OG-CG2 3.26Å; V533-T537 WeakPolarHBondContact CA-O 3.46Å; E534-T537 PolarHBondContact N-O 2.94Å; E534-T537 WeakPolarHBondContact O-CB 3.3Å; E534-T537 PolarHBondContact O-N 2.99Å; N535-T537 VanDerWaalsContact C-N 3.29Å; N535-T537 PolarHBondContact O-N 3.22Å
538	V	93.6	Very high	80.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.3	175.6	-175.5	0	0	0	0	108.5	V491 S497 M498 I500 L503 L524 F531 R532 V533	V491-V538 VanDerWaalsContact CG1-O 3.26Å; V491-V538 WeakPolarHBondContact CG1-O 3.29Å; V491-V538 HydrophobicContact CG2-CB 4.36Å; V491-V538 HydrophobicContact CG2-CG1 4.06Å; S497-V538 CarbonylContact C-O 3.5Å; S497-V538 WeakPolarHBondContact CA-O 3.39Å; M498-V538 PolarHBondContact N-O 2.82Å; M498-V538 PolarHBondContact O-N 2.93Å; I500-V538 HydrophobicContact CB-CG2 3.92Å; I500-V538 HydrophobicContact CD1-CG2 4.16Å; I500-V538 HydrophobicContact CG1-CG2 4Å; L503-V538 HydrophobicContact CD1-CB 3.74Å; L503-V538 HydrophobicContact CD1-CG1 4.06Å; L503-V538 HydrophobicContact CD1-CG2 3.64Å; L524-V538 HydrophobicContact CD1-CG1 4.12Å; L524-V538 HydrophobicContact CD1-CG2 3.81Å; F531-V538 HydrophobicContact CB-CG1 4.15Å; F531-V538 HydrophobicContact CD1-CG1 3.65Å; F531-V538 HydrophobicContact CG-CG1 4.32Å; R532-V538 CarbonylContact O-C 3.36Å; R532-V538 WeakPolarHBondContact O-CA 3.43Å; V533-V538 HydrophobicContact CG1-CG2 4.41Å; V533-V538 HydrophobicContact CG2-CG2 4.2Å
539	E	93.9	Very high	78.6	Confident	75 Å²	75	79.1 Å²	79.1	35%	0.35	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.9	175.4	-61	179.7	167.5	0	0	110.9	N496 R532	N496-E539 VanDerWaalsContact O-CA 3.26Å; N496-E539 WeakPolarHBondContact O-CA 3.48Å; R532-E539 HydrophobicContact CB-CB 4.3Å; R532-E539 PolarHBondContact N-O 3.22Å; R532-E539 IonicContact NH1-OE2 3.02Å; R532-E539 PolarHBondContact O-N 2.93Å
540	V	90	Very high	77.2	Confident	10 Å²	10	73.9 Å²	73.9	6%	0.061	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151	174.6	-60.4	0	0	0	0	110.8	V491 W492 N496 F531	V491-V540 HydrophobicContact CB-CB 4.46Å; V491-V540 HydrophobicContact CB-CG1 3.83Å; V491-V540 HydrophobicContact CB-CG2 3.81Å; V491-V540 HydrophobicContact CG1-CB 4.32Å; V491-V540 HydrophobicContact CG1-CG1 3.93Å; V491-V540 HydrophobicContact CG1-CG2 3.72Å; V491-V540 HydrophobicContact CG2-CG1 4.28Å; W492-V540 HydrophobicContact CB-CG2 4Å; W492-V540 HydrophobicContact CE3-CG2 4.24Å; N496-V540 PolarHBondContact O-N 3.45Å; F531-V540 HydrophobicContact CD1-CG1 3.61Å; F531-V540 HydrophobicContact CE1-CG1 3.83Å
541	K	82.8	Confident	75.7	Confident	186 Å²	186	74 Å²	74	81%	0.809	37%	0.365	S	S	*	.	S	Bend	trans	-89.5	-30.1	-175.1	-68	-175.7	178	-178.8	0	114.3	W492	W492-K541 VanDerWaalsContact CZ3-O 3.23Å; W492-K541 WeakPolarHBondContact CZ3-O 3.41Å
542	C	78.6	Confident	73.6	Confident	73 Å²	73	78 Å²	78	49%	0.493	38%	0.384	S	S	.	.	S	Bend	trans	-155.5	159.6	-174.6	54.6	0	0	0	0	109.8	N488 W492	N488-C542 PolarHBondContact ND2-O 2.64Å; N488-C542 PolarHBondContact OD1-O 3.21Å; W492-C542 VanDerWaalsContact CE3-C 3.43Å; W492-C542 VanDerWaalsContact CE3-CA 3.45Å
543	K	81.4	Confident	71.1	Confident	87 Å²	87	72.6 Å²	72.6	38%	0.378	37%	0.365	S	S	.	.			trans	-71.9	143	166.9	-167.4	-176.3	171.4	-144.6	0	110	N489 W492 D545	N489-K543 WeakPolarHBondContact OD1-CG 2.89Å; W492-K543 HydrophobicContact CD2-CB 4Å; W492-K543 HydrophobicContact CG-CB 3.77Å; W492-K543 HydrophobicContact CG-CG 4.3Å; K543-D545 WeakPolarHBondContact CD-OD2 3.25Å; K543-D545 WeakPolarHBondContact CE-OD1 3.46Å; K543-D545 WeakPolarHBondContact CE-OD2 3.44Å; K543-D545 IonicContact NZ-OD1 3.95Å; K543-D545 PolarHBondContact NZ-OD1 2.73Å; K543-D545 IonicContact NZ-OD2 2.9Å; K543-D545 PolarHBondContact NZ-OD2 2.97Å
544	I	71.9	Confident	68.8	Low	9 Å²	9	73.6 Å²	73.6	5%	0.046	37%	0.368	C	S	.	.			trans	-100.5	110.6	170.3	-59.6	163.6	0	0	0	109.2	Y463 V485 N488 N489 L530	Y463-I544 HydrophobicContact CD1-CD1 3.89Å; Y463-I544 HydrophobicContact CD1-CG1 4.06Å; Y463-I544 HydrophobicContact CD1-CG2 3.85Å; Y463-I544 HydrophobicContact CD2-CG2 3.7Å; Y463-I544 HydrophobicContact CE1-CG1 4.44Å; Y463-I544 HydrophobicContact CE1-CG2 3.78Å; Y463-I544 HydrophobicContact CE2-CG2 3.64Å; Y463-I544 HydrophobicContact CG-CD1 3.91Å; Y463-I544 HydrophobicContact CG-CG1 4.43Å; Y463-I544 HydrophobicContact CG-CG2 3.83Å; V485-I544 HydrophobicContact CG1-CB 4.25Å; V485-I544 HydrophobicContact CG1-CG2 4.15Å; V485-I544 HydrophobicContact CG2-CB 4.39Å; V485-I544 HydrophobicContact CG2-CD1 4.26Å; V485-I544 HydrophobicContact CG2-CG2 3.81Å; N488-I544 HydrophobicContact CB-CD1 3.63Å; N488-I544 HydrophobicContact CB-CG1 4.36Å; N488-I544 VanDerWaalsContact CG-CD1 3.45Å; N488-I544 WeakPolarHBondContact OD1-CG1 3.3Å; N488-I544 PolarHBondContact OD1-N 3.21Å; N489-I544 PolarHBondContact ND2-O 3.35Å; N489-I544 PolarHBondContact OD1-N 2.98Å; N489-I544 PolarHBondContact OD1-O 3.14Å; L530-I544 HydrophobicContact CD2-CD1 3.87Å
545	D	64.7	Low	66.5	Low	101 Å²	101	75.8 Å²	75.8	54%	0.54	38%	0.383	S	S	.	.			trans	-105.3	157	174.2	-79.4	-40.1	0	0	0	111.4	K543 F547	K543-D545 WeakPolarHBondContact CD-OD2 3.25Å; K543-D545 WeakPolarHBondContact CE-OD1 3.46Å; K543-D545 WeakPolarHBondContact CE-OD2 3.44Å; K543-D545 IonicContact NZ-OD1 3.95Å; K543-D545 PolarHBondContact NZ-OD1 2.73Å; K543-D545 IonicContact NZ-OD2 2.9Å; K543-D545 PolarHBondContact NZ-OD2 2.97Å; D545-F547 PolarHBondContact O-N 2.72Å
546	G	55.7	Low	64	Low	43 Å²	43	75.8 Å²	75.8	44%	0.443	37%	0.37	S	S	.	.			trans	85.5	-0.6	173	0	0	0	0	0	116.6	R548 R549 V550	G546-R548 PolarHBondContact O-N 3.24Å; G546-R549 WeakPolarHBondContact O-CA 3.31Å; G546-R549 WeakPolarHBondContact O-CB 3.26Å; G546-R549 PolarHBondContact O-N 2.91Å; G546-V550 PolarHBondContact O-N 3.36Å
547	F	55.9	Low	61.5	Low	22 Å²	22	76.1 Å²	76.1	10%	0.096	37%	0.365	C	S	.	.	H	α-helix	trans	-50.6	-52.9	-180	175.5	-106.9	0	0	0	113.8	L464 A481 S482 V485 D545 R549 V550 C551	L464-F547 HydrophobicContact CD2-CD2 4.03Å; L464-F547 HydrophobicContact CD2-CE2 3.94Å; A481-F547 HydrophobicContact CB-CD2 4.47Å; A481-F547 HydrophobicContact CB-CE2 3.39Å; A481-F547 HydrophobicContact CB-CZ 3.8Å; S482-F547 VanDerWaalsContact CA-CE1 3.43Å; S482-F547 VanDerWaalsContact CA-CZ 3.44Å; V485-F547 HydrophobicContact CB-CB 4.28Å; V485-F547 HydrophobicContact CB-CG 4.18Å; V485-F547 HydrophobicContact CG1-CB 3.83Å; V485-F547 HydrophobicContact CG1-CG 4.21Å; V485-F547 HydrophobicContact CG2-CB 3.88Å; V485-F547 HydrophobicContact CG2-CD1 4.5Å; V485-F547 HydrophobicContact CG2-CD2 3.71Å; V485-F547 HydrophobicContact CG2-CE2 4.42Å; V485-F547 HydrophobicContact CG2-CG 3.75Å; D545-F547 PolarHBondContact O-N 2.72Å; F547-R549 PolarHBondContact O-N 3.27Å; F547-V550 PolarHBondContact O-N 3.04Å; F547-C551 WeakPolarHBondContact CE2-SG 3.32Å; F547-C551 WeakPolarHBondContact CZ-SG 3.3Å; F547-C551 PolarHBondContact O-N 3.24Å
548	R	49.6	Very low	58.7	Low	192 Å²	192	79.2 Å²	79.2	73%	0.725	41%	0.405	S	S	*	.	H	α-helix	trans	-55.8	-38.4	178	-177.5	-179.9	-80.3	-176.2	-5.1	111.5	G546 C551 E552	G546-R548 PolarHBondContact O-N 3.24Å; R548-C551 PolarHBondContact O-N 3.07Å; R548-E552 HydrophobicContact CG-CG 4.35Å; R548-E552 WeakPolarHBondContact CG-OE1 3.34Å; R548-E552 VanDerWaalsContact O-CB 3.3Å; R548-E552 WeakPolarHBondContact O-CB 3.41Å; R548-E552 VanDerWaalsContact O-CG 3.26Å; R548-E552 WeakPolarHBondContact O-CG 3.37Å; R548-E552 PolarHBondContact O-N 3.47Å
549	R	45.1	Very low	57	Low	188 Å²	188	83.2 Å²	83.2	71%	0.709	43%	0.426	S	S	*	.	H	α-helix	trans	-72.7	-33.4	-179.5	-156.9	160.1	-174.2	163.9	-1.9	112.1	G546 F547 L553	G546-R549 WeakPolarHBondContact O-CA 3.31Å; G546-R549 WeakPolarHBondContact O-CB 3.26Å; G546-R549 PolarHBondContact O-N 2.91Å; F547-R549 PolarHBondContact O-N 3.27Å; R549-L553 WeakPolarHBondContact O-CB 3.38Å; R549-L553 PolarHBondContact O-N 3.34Å
550	V	48.3	Very low	55	Low	38 Å²	38	83.6 Å²	83.6	23%	0.23	43%	0.43	C	S	.	.	H	α-helix	trans	-72	-41.3	172.5	-178.6	0	0	0	0	111.2	L464 G546 F547 L553 M554	L464-V550 HydrophobicContact CD1-CB 4.1Å; L464-V550 HydrophobicContact CD1-CG1 3.48Å; L464-V550 VanDerWaalsContact CD1-CG1 3.48Å; L464-V550 HydrophobicContact CD1-CG2 4.27Å; L464-V550 HydrophobicContact CD2-CG1 4.15Å; L464-V550 HydrophobicContact CG-CG1 4.46Å; G546-V550 PolarHBondContact O-N 3.36Å; F547-V550 PolarHBondContact O-N 3.04Å; V550-L553 WeakPolarHBondContact O-CB 3.2Å; V550-L553 PolarHBondContact O-N 3.46Å; V550-M554 HydrophobicContact CG1-CG 4.22Å; V550-M554 WeakPolarHBondContact O-CB 3.41Å; V550-M554 VanDerWaalsContact O-CG 3.26Å; V550-M554 WeakPolarHBondContact O-CG 3.31Å; V550-M554 PolarHBondContact O-N 2.87Å
551	C	46.7	Very low	53.1	Low	19 Å²	19	87.7 Å²	87.7	13%	0.128	45%	0.45	C	S	.	.	H	α-helix	trans	-63.8	-46.9	173.4	-72.1	0	0	0	0	111.9	F547 R548 L553 M554 D555	F547-C551 WeakPolarHBondContact CE2-SG 3.32Å; F547-C551 WeakPolarHBondContact CZ-SG 3.3Å; F547-C551 PolarHBondContact O-N 3.24Å; R548-C551 PolarHBondContact O-N 3.07Å; C551-L553 PolarHBondContact O-N 3.12Å; C551-M554 PolarHBondContact O-N 3.06Å; C551-D555 VanDerWaalsContact O-CB 3.22Å; C551-D555 WeakPolarHBondContact O-CB 3.35Å; C551-D555 PolarHBondContact O-N 2.98Å
552	E	43.2	Very low	51.3	Low	87 Å²	87	81.9 Å²	81.9	41%	0.407	43%	0.429	S	S	.	.	H	α-helix	trans	-59	-34.7	173.6	-78.6	175.6	-160.9	0	0	112.2	R548 R556	R548-E552 HydrophobicContact CG-CG 4.35Å; R548-E552 WeakPolarHBondContact CG-OE1 3.34Å; R548-E552 VanDerWaalsContact O-CB 3.3Å; R548-E552 WeakPolarHBondContact O-CB 3.41Å; R548-E552 VanDerWaalsContact O-CG 3.26Å; R548-E552 WeakPolarHBondContact O-CG 3.37Å; R548-E552 PolarHBondContact O-N 3.47Å; E552-R556 VanDerWaalsContact O-CD 3.28Å; E552-R556 WeakPolarHBondContact O-CD 3.44Å; E552-R556 WeakPolarHBondContact O-CG 3.4Å; E552-R556 PolarHBondContact O-N 3.46Å; E552-R556 PolarHBondContact O-NE 3.21Å; E552-R556 IonicContact OE2-NH2 3.38Å
553	L	40.9	Very low	49.6	Very low	21 Å²	21	82.5 Å²	82.5	11%	0.11	43%	0.425	C	S	.	.	H	α-helix	trans	-67.4	-55.6	173.8	-177	70.6	0	0	0	109.8	E438 P440 R549 V550 C551 D555 R556 L557	E438-L553 VanDerWaalsContact O-CD1 3.26Å; E438-L553 WeakPolarHBondContact O-CD1 3.31Å; P440-L553 VanDerWaalsContact CD-CD2 3.43Å; P440-L553 HydrophobicContact CG-CD1 4.09Å; P440-L553 HydrophobicContact CG-CD2 3.92Å; R549-L553 WeakPolarHBondContact O-CB 3.38Å; R549-L553 PolarHBondContact O-N 3.34Å; V550-L553 WeakPolarHBondContact O-CB 3.2Å; V550-L553 PolarHBondContact O-N 3.46Å; C551-L553 PolarHBondContact O-N 3.12Å; L553-D555 VanDerWaalsContact C-N 3.31Å; L553-D555 PolarHBondContact O-N 3.45Å; L553-R556 CarbonylContact O-C 3.51Å; L553-R556 WeakPolarHBondContact O-CA 3.29Å; L553-R556 WeakPolarHBondContact O-CB 3.41Å; L553-R556 PolarHBondContact O-N 3.23Å; L553-L557 HydrophobicContact CD1-CD1 4.5Å; L553-L557 HydrophobicContact CD2-CD1 4.38Å; L553-L557 HydrophobicContact CG-CD1 3.91Å; L553-L557 HydrophobicContact CG-CG 4.3Å; L553-L557 VanDerWaalsContact O-CG 3.24Å; L553-L557 WeakPolarHBondContact O-CG 3.5Å; L553-L557 PolarHBondContact O-N 3.29Å
554	M	41.8	Very low	47.5	Very low	57 Å²	57	82.2 Å²	82.2	28%	0.281	43%	0.428	S	S	.	.	H	α-helix	trans	-58.4	-41.7	-179.5	-67.4	-59.8	-57.2	0	0	112.2	M475 V550 C551 R556 L557 G558	M475-M554 HydrophobicContact CE-CE 4.09Å; M475-M554 HydrophobicContact SD-CE 3.78Å; M475-M554 HydrophobicContact SD-CG 4.34Å; V550-M554 HydrophobicContact CG1-CG 4.22Å; V550-M554 WeakPolarHBondContact O-CB 3.41Å; V550-M554 VanDerWaalsContact O-CG 3.26Å; V550-M554 WeakPolarHBondContact O-CG 3.31Å; V550-M554 PolarHBondContact O-N 2.87Å; C551-M554 PolarHBondContact O-N 3.06Å; M554-R556 PolarHBondContact O-N 2.65Å; M554-L557 CarbonylContact O-C 3.57Å; M554-L557 WeakPolarHBondContact O-CA 3.47Å; M554-L557 WeakPolarHBondContact O-CB 3.3Å; M554-L557 PolarHBondContact O-N 3.22Å; M554-L557 HydrophobicContact SD-CD1 4.07Å; M554-G558 PolarHBondContact O-N 2.84Å; M554-G558 VanDerWaalsContact O-OXT 3.14Å
555	D	40.9	Very low	45.8	Very low	139 Å²	139	87.4 Å²	87.4	74%	0.743	46%	0.455	S	S	*	.	H	α-helix	trans	-64	-28.3	176.6	-158.9	44.4	0	0	0	112.1	C551 L553	C551-D555 VanDerWaalsContact O-CB 3.22Å; C551-D555 WeakPolarHBondContact O-CB 3.35Å; C551-D555 PolarHBondContact O-N 2.98Å; L553-D555 VanDerWaalsContact C-N 3.31Å; L553-D555 PolarHBondContact O-N 3.45Å
556	R	37.2	Very low	44.3	Very low	171 Å²	171	86.4 Å²	86.4	65%	0.645	45%	0.449	S	S	*	.	H	α-helix	trans	-77	-31.2	168.8	-69	167.4	-165.7	-159.8	6.5	112.7	E552 L553 M554 G558	E552-R556 VanDerWaalsContact O-CD 3.28Å; E552-R556 WeakPolarHBondContact O-CD 3.44Å; E552-R556 WeakPolarHBondContact O-CG 3.4Å; E552-R556 PolarHBondContact O-N 3.46Å; E552-R556 PolarHBondContact O-NE 3.21Å; E552-R556 IonicContact OE2-NH2 3.38Å; L553-R556 CarbonylContact O-C 3.51Å; L553-R556 WeakPolarHBondContact O-CA 3.29Å; L553-R556 WeakPolarHBondContact O-CB 3.41Å; L553-R556 PolarHBondContact O-N 3.23Å; M554-R556 PolarHBondContact O-N 2.65Å; R556-G558 VanDerWaalsContact C-N 3.33Å
557	L	36.8	Very low	43.4	Very low	37 Å²	37	90 Å²	90	19%	0.194	45%	0.449	C	S	.	.	H	α-helix	trans	-79.5	-14	-179.3	-62.4	177	0	0	0	113.2	L434 L553 M554	L434-L557 HydrophobicContact CD1-CB 3.95Å; L434-L557 HydrophobicContact CD1-CD1 4.33Å; L434-L557 HydrophobicContact CD1-CD2 3.75Å; L434-L557 HydrophobicContact CD1-CG 4.18Å; L434-L557 HydrophobicContact CD2-CB 4.27Å; L434-L557 HydrophobicContact CD2-CD2 3.33Å; L434-L557 HydrophobicContact CD2-CG 4.34Å; L434-L557 HydrophobicContact CG-CD2 4.07Å; L553-L557 HydrophobicContact CD1-CD1 4.5Å; L553-L557 HydrophobicContact CD2-CD1 4.38Å; L553-L557 HydrophobicContact CG-CD1 3.91Å; L553-L557 HydrophobicContact CG-CG 4.3Å; L553-L557 VanDerWaalsContact O-CG 3.24Å; L553-L557 WeakPolarHBondContact O-CG 3.5Å; L553-L557 PolarHBondContact O-N 3.29Å; M554-L557 CarbonylContact O-C 3.57Å; M554-L557 WeakPolarHBondContact O-CA 3.47Å; M554-L557 WeakPolarHBondContact O-CB 3.3Å; M554-L557 PolarHBondContact O-N 3.22Å; M554-L557 HydrophobicContact SD-CD1 4.07Å
558	G	34.3	Very low	42.3	Very low	109 Å²	109	96.2 Å²	96.2	100%	1.124	48%	0.481	S	S	*	.			trans	84.8	0	-178.6	0	0	0	0	0	113.1	M554 R556	M554-G558 PolarHBondContact O-N 2.84Å; M554-G558 VanDerWaalsContact O-OXT 3.14Å; R556-G558 VanDerWaalsContact C-N 3.33Å

Retrieved 558 of 558 residues in 108.7 ms (Link to these results)

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