A0A093ICQ5_STRCA Loading...

Cysteine-rich secretory protein LCCL domain-containing 1

AlphaFold DB , UniProt , Accession A0A093ICQ5, Species STRCA (Struthio camelus australis), Gene n/a, Length 513 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	55.7	Low	57.6	Low	219 Å²	219	143.5 Å²	143.5	100%	1.079	67%	0.666	S	S	*	*				0	1.3	0	-80.3	171.5	85.1	0	0	115.7
2	K	53.3	Low	58.1	Low	193 Å²	193	135.8 Å²	135.8	84%	0.839	64%	0.637	S	S	*	*			trans	-93.4	-19.1	175.7	-74.1	-175.2	174.9	-179.2	0	115.2
3	Y	52.8	Low	58.4	Low	215 Å²	215	129.1 Å²	129.1	84%	0.843	62%	0.619	S	S	*	*	H	α-helix	trans	-84.3	-26.8	-178.7	-93	-86.6	0	0	0	114.7
4	V	56.3	Low	58.5	Low	96 Å²	96	128.4 Å²	128.4	58%	0.582	62%	0.62	S	S	*	*	H	α-helix	trans	-76.9	-30.4	-176.6	-177.6	0	0	0	0	112.1	W8	V4-W8 PolarHBondContact O-N 3.17Å
5	V	56.6	Low	58.5	Low	90 Å²	90	126.9 Å²	126.9	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-72.1	-31.5	-178.3	-177.6	0	0	0	0	111.7	L9	V5-L9 HydrophobicContact CG1-CD1 4.11Å; V5-L9 PolarHBondContact O-N 3.03Å; V5-L9 VanDerWaalsContact O-N 3.12Å
6	Q	56.1	Low	58.3	Low	122 Å²	122	128.1 Å²	128.1	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-78.6	-32.7	-176.8	-166.2	147.6	-5.8	0	0	113	R10	Q6-R10 WeakPolarHBondContact O-CG 3.46Å; Q6-R10 PolarHBondContact O-N 2.92Å
7	E	58.8	Low	58.2	Low	119 Å²	119	126.9 Å²	126.9	56%	0.556	61%	0.613	S	S	*	*	H	α-helix	trans	-66.3	-44.5	170.7	-75.6	-76.2	132	0	0	110.9	L9 R10 V11	E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 3.3Å; E7-R10 PolarHBondContact O-N 3.36Å; E7-R10 VanDerWaalsContact O-N 3.16Å; E7-V11 WeakPolarHBondContact O-CG2 3.39Å; E7-V11 PolarHBondContact O-N 2.93Å
8	W	57.7	Low	58	Low	181 Å²	181	123.1 Å²	123.1	69%	0.686	61%	0.605	S	S	*	*	H	α-helix	trans	-63	-37	177.1	-93.4	86	0	0	0	113.5	V4 T12	V4-W8 PolarHBondContact O-N 3.17Å; W8-T12 HydrophobicContact CE3-CG2 4.47Å; W8-T12 WeakPolarHBondContact O-CB 3.39Å; W8-T12 WeakPolarHBondContact O-CG2 3.45Å; W8-T12 PolarHBondContact O-N 2.85Å; W8-T12 PolarHBondContact O-OG1 3.16Å
9	L	58.5	Low	57.8	Low	111 Å²	111	123.3 Å²	123.3	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-66.8	-34.6	174.5	-84.6	160	0	0	0	112.8	V5 E7 T12 A13	V5-L9 HydrophobicContact CG1-CD1 4.11Å; V5-L9 PolarHBondContact O-N 3.03Å; V5-L9 VanDerWaalsContact O-N 3.12Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 3.3Å; L9-T12 WeakPolarHBondContact CA-OG1 3.25Å; L9-T12 PolarHBondContact O-OG1 3.37Å; L9-A13 VanDerWaalsContact O-CB 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.22Å; L9-A13 PolarHBondContact O-N 3.29Å
10	R	61.8	Low	57.4	Low	156 Å²	156	120 Å²	120	59%	0.589	60%	0.598	S	S	*	*	H	α-helix	trans	-73.1	-40.4	176.7	-75.4	179.1	172	-177.1	-2.7	112.2	Q6 E7 A13 L14	Q6-R10 WeakPolarHBondContact O-CG 3.46Å; Q6-R10 PolarHBondContact O-N 2.92Å; E7-R10 PolarHBondContact O-N 3.36Å; E7-R10 VanDerWaalsContact O-N 3.16Å; R10-A13 PolarHBondContact O-N 3.3Å; R10-L14 WeakPolarHBondContact O-CB 3.17Å; R10-L14 WeakPolarHBondContact O-CG 3.1Å; R10-L14 PolarHBondContact O-N 2.69Å
11	V	66.4	Low	57.1	Low	76 Å²	76	118.7 Å²	118.7	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-67.5	-42	177.5	175.5	0	0	0	0	111	E7 L14 L15	E7-V11 WeakPolarHBondContact O-CG2 3.39Å; E7-V11 PolarHBondContact O-N 2.93Å; V11-L14 PolarHBondContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 4.11Å; V11-L15 WeakPolarHBondContact O-CB 3.23Å; V11-L15 PolarHBondContact O-N 3.44Å
12	T	63.8	Low	56.7	Low	52 Å²	52	112.4 Å²	112.4	32%	0.319	57%	0.574	S	S	.	*	H	α-helix	trans	-67.1	-40.3	175.6	47.7	0	0	0	0	112.2	W8 L9 L14 L15 F16	W8-T12 HydrophobicContact CE3-CG2 4.47Å; W8-T12 WeakPolarHBondContact O-CB 3.39Å; W8-T12 WeakPolarHBondContact O-CG2 3.45Å; W8-T12 PolarHBondContact O-N 2.85Å; W8-T12 PolarHBondContact O-OG1 3.16Å; L9-T12 WeakPolarHBondContact CA-OG1 3.25Å; L9-T12 PolarHBondContact O-OG1 3.37Å; T12-L14 PolarHBondContact O-N 3Å; T12-L15 PolarHBondContact O-N 2.91Å; T12-F16 VanDerWaalsContact O-CD2 3.23Å; T12-F16 WeakPolarHBondContact O-CD2 3.46Å; T12-F16 PolarHBondContact O-N 3.14Å
13	A	61.5	Low	56.4	Low	48 Å²	48	107.2 Å²	107.2	40%	0.397	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-40.6	174.2	0	0	0	0	0	112.7	L9 R10 F16 I17	L9-A13 VanDerWaalsContact O-CB 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.22Å; L9-A13 PolarHBondContact O-N 3.29Å; R10-A13 PolarHBondContact O-N 3.3Å; A13-F16 PolarHBondContact O-N 3.29Å; A13-I17 VanDerWaalsContact O-CG1 3.26Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å; A13-I17 PolarHBondContact O-N 2.9Å
14	L	60	Low	56	Low	120 Å²	120	105 Å²	105	63%	0.628	57%	0.566	S	S	*	*	H	α-helix	trans	-65.5	-37.6	174.8	-82.6	162	0	0	0	112.4	R10 V11 T12 I17 A18	R10-L14 WeakPolarHBondContact O-CB 3.17Å; R10-L14 WeakPolarHBondContact O-CG 3.1Å; R10-L14 PolarHBondContact O-N 2.69Å; V11-L14 PolarHBondContact O-N 3.16Å; T12-L14 PolarHBondContact O-N 3Å; L14-I17 PolarHBondContact O-N 3.21Å; L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 3.41Å
15	L	57.6	Low	55.7	Low	105 Å²	105	106.4 Å²	106.4	55%	0.55	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-38.6	174.5	-105.8	137.3	0	0	0	112.6	V11 T12 A18 Q19	V11-L15 HydrophobicContact CG1-CD1 4.11Å; V11-L15 WeakPolarHBondContact O-CB 3.23Å; V11-L15 PolarHBondContact O-N 3.44Å; T12-L15 PolarHBondContact O-N 2.91Å; L15-A18 PolarHBondContact O-N 2.91Å; L15-Q19 PolarHBondContact O-N 2.92Å; L15-Q19 VanDerWaalsContact O-N 3.08Å
16	F	55.5	Low	55.2	Low	146 Å²	146	108.6 Å²	108.6	64%	0.64	58%	0.578	S	S	*	*	H	α-helix	trans	-69.9	-35.6	174.6	-85.6	-69.8	0	0	0	112.7	T12 A13 Q19 A20	T12-F16 VanDerWaalsContact O-CD2 3.23Å; T12-F16 WeakPolarHBondContact O-CD2 3.46Å; T12-F16 PolarHBondContact O-N 3.14Å; A13-F16 PolarHBondContact O-N 3.29Å; F16-Q19 PolarHBondContact O-N 2.79Å; F16-A20 PolarHBondContact O-N 3.2Å; F16-A20 VanDerWaalsContact O-N 3.09Å
17	I	57.8	Low	54.9	Low	108 Å²	108	108.5 Å²	108.5	55%	0.554	59%	0.588	S	S	*	*	H	α-helix	trans	-67.7	-41	173.8	-66.4	165.4	0	0	0	110.5	A13 L14 Q19 A20 V21	A13-I17 VanDerWaalsContact O-CG1 3.26Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å; A13-I17 PolarHBondContact O-N 2.9Å; L14-I17 PolarHBondContact O-N 3.21Å; I17-Q19 PolarHBondContact O-N 2.85Å; I17-A20 PolarHBondContact O-N 3.22Å; I17-V21 WeakPolarHBondContact O-CG2 3.28Å; I17-V21 PolarHBondContact O-N 2.78Å
18	A	54.4	Low	54.5	Low	58 Å²	58	108.4 Å²	108.4	48%	0.479	59%	0.591	S	S	.	*	H	α-helix	trans	-64.3	-36.9	177.1	0	0	0	0	0	112.8	L14 L15 V21 S22	L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 3.41Å; L15-A18 PolarHBondContact O-N 2.91Å; A18-V21 PolarHBondContact O-N 2.82Å; A18-S22 PolarHBondContact O-N 3.31Å
19	Q	53.4	Low	54.4	Low	128 Å²	128	102.6 Å²	102.6	60%	0.598	58%	0.582	S	S	*	*	H	α-helix	trans	-70.1	-32.5	173.5	-79.8	-175.7	-24.7	0	0	113.2	L15 F16 I17 A23	L15-Q19 PolarHBondContact O-N 2.92Å; L15-Q19 VanDerWaalsContact O-N 3.08Å; F16-Q19 PolarHBondContact O-N 2.79Å; I17-Q19 PolarHBondContact O-N 2.85Å; Q19-A23 PolarHBondContact O-N 2.91Å
20	A	50	Low	54.4	Low	56 Å²	56	101.3 Å²	101.3	46%	0.463	58%	0.578	S	S	.	*	H	α-helix	trans	-70.7	-31.8	174.9	0	0	0	0	0	112.6	F16 I17 A23	F16-A20 PolarHBondContact O-N 3.2Å; F16-A20 VanDerWaalsContact O-N 3.09Å; I17-A20 PolarHBondContact O-N 3.22Å; A20-A23 PolarHBondContact O-N 3.24Å
21	V	50.3	Low	54.1	Low	94 Å²	94	99.1 Å²	99.1	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-73.7	-35.4	176.5	176.2	0	0	0	0	111.6	I17 A18 A23 M24	I17-V21 WeakPolarHBondContact O-CG2 3.28Å; I17-V21 PolarHBondContact O-N 2.78Å; A18-V21 PolarHBondContact O-N 2.82Å; V21-A23 VanDerWaalsContact C-N 3.26Å; V21-A23 PolarHBondContact O-N 2.87Å; V21-M24 PolarHBondContact O-N 3.3Å
22	S	47.5	Very low	53.5	Low	87 Å²	87	100.2 Å²	100.2	61%	0.608	58%	0.58	S	S	*	*	H	α-helix	trans	-72.6	-15.1	172.3	-71.2	0	0	0	0	114.2	A18	A18-S22 PolarHBondContact O-N 3.31Å
23	A	47	Very low	53.2	Low	84 Å²	84	103.6 Å²	103.6	69%	0.694	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-3.3	174.4	0	0	0	0	0	113.8	Q19 A20 V21	Q19-A23 PolarHBondContact O-N 2.91Å; A20-A23 PolarHBondContact O-N 3.24Å; V21-A23 VanDerWaalsContact C-N 3.26Å; V21-A23 PolarHBondContact O-N 2.87Å
24	M	46	Very low	53.1	Low	167 Å²	167	107.8 Å²	107.8	82%	0.823	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	10.1	173.2	-71.2	-135.1	-114.3	0	0	113.8	V21 L26	V21-M24 PolarHBondContact O-N 3.3Å; M24-L26 PolarHBondContact O-N 2.65Å
25	I	48.6	Very low	52.9	Low	126 Å²	126	106.6 Å²	106.6	65%	0.646	60%	0.598	S	S	*	*			trans	-93.8	93.8	169.1	-55.6	175.2	0	0	0	106.9	P27	I25-P27 WeakPolarHBondContact O-CD 3.06Å
26	L	45.7	Very low	52.7	Low	137 Å²	137	106 Å²	106	72%	0.717	59%	0.594	S	S	*	*			trans	-63.6	117	168.9	-71.9	166.9	0	0	0	107.9	M24 N28	M24-L26 PolarHBondContact O-N 2.65Å; L26-N28 PolarHBondContact O-N 3.23Å
27	P	50	Low	52.8	Low	120 Å²	120	106.2 Å²	106.2	78%	0.779	60%	0.597	S	S	*	*	S	Bend	trans	-80.2	16.1	-172.8	32.6	-33.9	0	0	0	113.6	I25	I25-P27 WeakPolarHBondContact O-CD 3.06Å
28	N	51.1	Low	52.5	Low	116 Å²	116	109.1 Å²	109.1	62%	0.62	61%	0.606	S	S	*	*			trans	-156.5	83.9	175	-104	-18.4	0	0	0	109.9	L26 T30	L26-N28 PolarHBondContact O-N 3.23Å; N28-T30 PolarHBondContact O-N 2.87Å
29	A	54.7	Low	52.3	Low	60 Å²	60	115.3 Å²	115.3	50%	0.496	62%	0.619	S	S	.	*	H	α-helix	trans	-65.2	-16.8	170.5	0	0	0	0	0	112.5	L31 L32 E33	A29-L31 PolarHBondContact O-N 3.22Å; A29-L32 PolarHBondContact O-N 2.03Å; A29-E33 WeakPolarHBondContact O-CB 3.48Å; A29-E33 WeakPolarHBondContact O-CG 3.25Å; A29-E33 PolarHBondContact O-N 3.39Å
30	T	59.4	Low	51.8	Low	84 Å²	84	115.9 Å²	115.9	52%	0.515	62%	0.623	S	S	.	*	H	α-helix	trans	-64.6	-38.3	-178.3	50.9	0	0	0	0	113.2	N28 L32 E33 E34	N28-T30 PolarHBondContact O-N 2.87Å; T30-L32 VanDerWaalsContact C-N 3.33Å; T30-L32 PolarHBondContact O-N 3.23Å; T30-E33 PolarHBondContact O-N 3.02Å; T30-E34 VanDerWaalsContact O-CB 3.27Å; T30-E34 WeakPolarHBondContact O-CB 3.46Å; T30-E34 PolarHBondContact O-N 3.2Å
31	L	56.3	Low	51.5	Low	109 Å²	109	120.3 Å²	120.3	57%	0.571	64%	0.639	S	S	*	*	H	α-helix	trans	-70.3	-31.9	177.6	-172.5	73.1	0	0	0	112	A29 L35	A29-L31 PolarHBondContact O-N 3.22Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 PolarHBondContact O-N 3.21Å; L31-L35 VanDerWaalsContact O-N 3.1Å
32	L	53.3	Low	51.3	Low	99 Å²	99	124.8 Å²	124.8	52%	0.518	65%	0.653	S	S	.	*	H	α-helix	trans	-78.3	-36.9	177.6	-172	66.6	0	0	0	111	A29 T30 L35 L36	A29-L32 PolarHBondContact O-N 2.03Å; T30-L32 VanDerWaalsContact C-N 3.33Å; T30-L32 PolarHBondContact O-N 3.23Å; L32-L35 PolarHBondContact O-N 3.49Å; L32-L36 HydrophobicContact CG-CD1 4.06Å; L32-L36 VanDerWaalsContact O-CB 3.29Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.18Å; L32-L36 PolarHBondContact O-N 2.99Å
33	E	57.2	Low	51.1	Low	124 Å²	124	127.9 Å²	127.9	58%	0.579	66%	0.663	S	S	*	*	H	α-helix	trans	-63	-44.9	170.7	-78.2	178.4	164.5	0	0	111.1	A29 T30 L35 L36 E37	A29-E33 WeakPolarHBondContact O-CB 3.48Å; A29-E33 WeakPolarHBondContact O-CG 3.25Å; A29-E33 PolarHBondContact O-N 3.39Å; T30-E33 PolarHBondContact O-N 3.02Å; E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3Å; E33-L36 CarbonylContact O-C 3.59Å; E33-L36 PolarHBondContact O-N 3.38Å; E33-L36 VanDerWaalsContact O-N 3.08Å; E33-E37 WeakPolarHBondContact O-CB 3.27Å; E33-E37 PolarHBondContact O-N 3.28Å
34	E	58.3	Low	51	Low	135 Å²	135	127.2 Å²	127.2	63%	0.631	67%	0.665	S	S	*	*	H	α-helix	trans	-64.9	-33.4	176.7	-160.4	178.6	-156.7	0	0	112.2	T30	T30-E34 VanDerWaalsContact O-CB 3.27Å; T30-E34 WeakPolarHBondContact O-CB 3.46Å; T30-E34 PolarHBondContact O-N 3.2Å
35	L	56.1	Low	50.8	Low	96 Å²	96	125.5 Å²	125.5	50%	0.503	66%	0.655	S	S	.	*	H	α-helix	trans	-72.1	-35.3	171.3	-103.8	151	0	0	0	112.8	L31 L32 E33 Y39	L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 PolarHBondContact O-N 3.21Å; L31-L35 VanDerWaalsContact O-N 3.1Å; L32-L35 PolarHBondContact O-N 3.49Å; E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3Å; L35-Y39 VanDerWaalsContact O-CD2 3.28Å; L35-Y39 WeakPolarHBondContact O-CD2 3.48Å
36	L	54.5	Low	50.4	Low	91 Å²	91	130.4 Å²	130.4	48%	0.476	67%	0.665	S	S	.	*	H	α-helix	trans	-76.9	-35.3	179.1	-88	160.3	0	0	0	112.1	L32 E33 K38 Y39 M40	L32-L36 HydrophobicContact CG-CD1 4.06Å; L32-L36 VanDerWaalsContact O-CB 3.29Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.18Å; L32-L36 PolarHBondContact O-N 2.99Å; E33-L36 CarbonylContact O-C 3.59Å; E33-L36 PolarHBondContact O-N 3.38Å; E33-L36 VanDerWaalsContact O-N 3.08Å; L36-K38 PolarHBondContact O-N 2.92Å; L36-Y39 CarbonylContact O-C 3.51Å; L36-Y39 WeakPolarHBondContact O-CA 3.32Å; L36-Y39 PolarHBondContact O-N 3.48Å; L36-M40 WeakPolarHBondContact O-CG 3.38Å; L36-M40 PolarHBondContact O-N 2.95Å
37	E	57.3	Low	49.8	Very low	151 Å²	151	133.2 Å²	133.2	71%	0.706	67%	0.666	S	S	*	*	H	α-helix	trans	-63.7	-32.4	176.8	-156	169.1	-154.3	0	0	110.8	E33 Y39 M40	E33-E37 WeakPolarHBondContact O-CB 3.27Å; E33-E37 PolarHBondContact O-N 3.28Å; E37-Y39 PolarHBondContact O-N 2.99Å; E37-M40 PolarHBondContact O-N 3.31Å
38	K	52.3	Low	49.3	Very low	169 Å²	169	132.6 Å²	132.6	74%	0.735	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-17.7	171	-168.7	172.5	-178	175.3	0	114.5	L36	L36-K38 PolarHBondContact O-N 2.92Å
39	Y	48.6	Very low	48.7	Very low	189 Å²	189	131.7 Å²	131.7	74%	0.741	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	0.3	179.1	-76.1	-77.3	0	0	0	113.5	L35 L36 E37	L35-Y39 VanDerWaalsContact O-CD2 3.28Å; L35-Y39 WeakPolarHBondContact O-CD2 3.48Å; L36-Y39 CarbonylContact O-C 3.51Å; L36-Y39 WeakPolarHBondContact O-CA 3.32Å; L36-Y39 PolarHBondContact O-N 3.48Å; E37-Y39 PolarHBondContact O-N 2.99Å
40	M	44.4	Very low	48.1	Very low	139 Å²	139	138.1 Å²	138.1	69%	0.685	68%	0.681	S	S	*	*			trans	-104	76.8	175.5	-73.2	-174.8	58.9	0	0	109.2	L36 E37 E42	L36-M40 WeakPolarHBondContact O-CG 3.38Å; L36-M40 PolarHBondContact O-N 2.95Å; E37-M40 PolarHBondContact O-N 3.31Å; M40-E42 PolarHBondContact O-N 3.35Å
41	D	43	Very low	47	Very low	150 Å²	150	142.3 Å²	142.3	80%	0.802	70%	0.695	S	S	*	*			trans	-64.5	123.3	164.1	-77.5	-31.4	0	0	0	108.8	D43	D41-D43 VanDerWaalsContact C-N 3.33Å; D41-D43 PolarHBondContact O-N 2.89Å
42	E	46.1	Very low	46.4	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	71%	0.713	S	S	*	*	S	Bend	trans	-61.2	91.2	165.2	-74.2	-167.6	139.6	0	0	109.3	M40	M40-E42 PolarHBondContact O-N 3.35Å
43	D	42.6	Very low	46.1	Very low	152 Å²	152	145 Å²	145	81%	0.813	69%	0.694	S	S	*	*			trans	-155.6	103	157.1	-84.3	-38.9	0	0	0	108.8	D41 E45	D41-D43 VanDerWaalsContact C-N 3.33Å; D41-D43 PolarHBondContact O-N 2.89Å; D43-E45 VanDerWaalsContact C-N 3.29Å; D43-E45 PolarHBondContact O-N 3.25Å
44	G	44.5	Very low	45.7	Very low	71 Å²	71	146.3 Å²	146.3	73%	0.732	70%	0.697	S	S	*	*			trans	-73.9	67	-172.9	0	0	0	0	0	114.7
45	E	43	Very low	46	Very low	130 Å²	130	142.6 Å²	142.6	61%	0.607	68%	0.678	S	S	*	*			trans	-137.9	61.6	166.7	-69.7	-148.3	153.4	0	0	112.3	D43 W47 I48	D43-E45 VanDerWaalsContact C-N 3.29Å; D43-E45 PolarHBondContact O-N 3.25Å; E45-W47 VanDerWaalsContact C-N 3.28Å; E45-W47 PolarHBondContact O-N 2.96Å; E45-I48 WeakPolarHBondContact OE2-CD1 3.25Å
46	W	39.6	Very low	46.9	Very low	230 Å²	230	141.5 Å²	141.5	87%	0.871	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	2.4	-177.2	114.7	-79.2	0	0	0	115
47	W	34.5	Very low	48.3	Very low	195 Å²	195	138 Å²	138	74%	0.739	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	4.1	179.4	49.1	81.4	0	0	0	115.7	E45 A49	E45-W47 VanDerWaalsContact C-N 3.28Å; E45-W47 PolarHBondContact O-N 2.96Å; W47-A49 PolarHBondContact O-N 2.76Å
48	I	38.7	Very low	49.7	Very low	108 Å²	108	134.4 Å²	134.4	55%	0.554	65%	0.652	S	S	*	*	S	Bend	trans	-85.5	109.6	164.2	-56.7	-174.1	0	0	0	107.3	E45 K50	E45-I48 WeakPolarHBondContact OE2-CD1 3.25Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.34Å
49	A	38.8	Very low	51.3	Low	97 Å²	97	132 Å²	132	80%	0.802	65%	0.648	S	S	*	*			trans	-56.8	89.4	177.6	0	0	0	0	0	111.4	W47 Q51	W47-A49 PolarHBondContact O-N 2.76Å; A49-Q51 PolarHBondContact O-N 2.93Å; A49-Q51 VanDerWaalsContact O-N 3.13Å
50	K	40.7	Very low	53.2	Low	194 Å²	194	126.8 Å²	126.8	84%	0.843	64%	0.639	S	S	*	*			trans	-58.8	117	165	-89	178.8	178.5	169.9	0	107	I48 R52	I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.34Å; K50-R52 PolarHBondContact O-N 2.76Å
51	Q	37.2	Very low	55.4	Low	172 Å²	172	121.4 Å²	121.4	80%	0.804	61%	0.613	S	S	*	*			trans	-43.1	107.9	168.5	-81.2	-89.6	-29.7	0	0	109.4	A49 G53	A49-Q51 PolarHBondContact O-N 2.93Å; A49-Q51 VanDerWaalsContact O-N 3.13Å; Q51-G53 PolarHBondContact O-N 2.85Å
52	R	43.1	Very low	57.8	Low	255 Å²	255	114.9 Å²	114.9	96%	0.962	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	33.1	-172.1	-124.4	176.6	-176.3	166.8	1.3	113.6	K50	K50-R52 PolarHBondContact O-N 2.76Å
53	G	47	Very low	60	Low	11 Å²	11	111 Å²	111	11%	0.113	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-126.7	-4.9	-172.3	0	0	0	0	0	115.9	Q51	Q51-G53 PolarHBondContact O-N 2.85Å
54	K	49.3	Very low	62.5	Low	150 Å²	150	106 Å²	106	65%	0.652	54%	0.537	S	S	*	.			trans	-93.7	111	176.7	-67.3	-163.9	-178.9	-156.7	0	110.5	E101	K54-E101 IonicContact NZ-OE1 2.71Å; K54-E101 PolarHBondContact NZ-OE1 3.07Å
55	R	65.4	Low	65	Low	57 Å²	57	102.7 Å²	102.7	22%	0.215	50%	0.502	C	S	.	.			trans	-98.2	99.8	164.7	-179.7	174.3	173.4	-167	-11	107.6	Y127 R128 I183	R55-Y127 PolarHBondContact NH2-OH 3.06Å; R55-R128 PolarHBondContact NH2-O 3.4Å; R55-I183 HydrophobicContact CB-CG2 4.26Å; R55-I183 HydrophobicContact CG-CG2 4.06Å; R55-I183 CarbonylContact O-C 3.56Å; R55-I183 VanDerWaalsContact O-C 3.28Å
56	A	75.1	Confident	67.6	Low	73 Å²	73	97.7 Å²	97.7	60%	0.603	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-82.1	160.4	176.4	0	0	0	0	0	111.3
57	I	83.6	Confident	70.3	Confident	19 Å²	19	91.1 Å²	91.1	10%	0.097	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-72.8	130.9	167	-71.7	-171.2	0	0	0	107.4	D61 M62 I65 W88 C181 I183 L202	I57-D61 HydrophobicContact CG2-CB 3.8Å; I57-M62 HydrophobicContact CG2-CB 4.06Å; I57-I65 HydrophobicContact CD1-CD1 3.78Å; I57-W88 HydrophobicContact CD1-CH2 4.45Å; I57-C181 VanDerWaalsContact CD1-C 3.46Å; I57-C181 HydrophobicContact CD1-CB 3.65Å; I57-C181 WeakPolarHBondContact CD1-O 3.38Å; I57-I183 HydrophobicContact CD1-CG1 4.24Å; I57-I183 HydrophobicContact CG1-CB 4.19Å; I57-I183 HydrophobicContact CG1-CD1 4.32Å; I57-I183 HydrophobicContact CG1-CG1 3.93Å; I57-L202 HydrophobicContact CD1-CD1 4.13Å
58	T	86.9	Confident	73.4	Confident	74 Å²	74	83.2 Å²	83.2	45%	0.454	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-84.5	162	173.3	63.4	0	0	0	0	110.6	S60 D61 M62	T58-S60 PolarHBondContact O-N 3.02Å; T58-D61 PolarHBondContact N-OD2 2.03Å; T58-D61 WeakPolarHBondContact O-CA 3.47Å; T58-D61 WeakPolarHBondContact O-CB 3.03Å; T58-D61 PolarHBondContact O-N 2.62Å; T58-D61 WeakPolarHBondContact OG1-CB 3.39Å; T58-D61 VanDerWaalsContact OG1-CG 3.26Å; T58-D61 PolarHBondContact OG1-N 3.3Å; T58-D61 VanDerWaalsContact OG1-N 3.15Å; T58-D61 PolarHBondContact OG1-OD2 3.1Å; T58-M62 PolarHBondContact O-N 3.02Å
59	D	85.7	Confident	76.2	Confident	120 Å²	120	78.1 Å²	78.1	64%	0.642	41%	0.407	S	S	*	.	H	α-helix	trans	-58.1	-34	176.2	-63	-25.6	0	0	0	112.5	M62 Q63	D59-M62 WeakPolarHBondContact O-CB 3.06Å; D59-M62 PolarHBondContact O-N 2.9Å; D59-Q63 WeakPolarHBondContact O-CG 3.22Å; D59-Q63 PolarHBondContact O-N 2.82Å
60	S	88.3	Confident	79.1	Confident	79 Å²	79	73.7 Å²	73.7	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-68.6	-40	174.5	-177.8	0	0	0	0	112.3	T58 S64	T58-S60 PolarHBondContact O-N 3.02Å; S60-S64 WeakPolarHBondContact O-CB 3.43Å; S60-S64 PolarHBondContact O-N 2.8Å; S60-S64 PolarHBondContact O-OG 2.92Å
61	D	90.3	Very high	81.8	Confident	26 Å²	26	70.3 Å²	70.3	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-65	-41.9	173.6	-77.1	-46.7	0	0	0	111.3	I57 T58 S64 I65 P130	I57-D61 HydrophobicContact CG2-CB 3.8Å; T58-D61 PolarHBondContact N-OD2 2.03Å; T58-D61 WeakPolarHBondContact O-CA 3.47Å; T58-D61 WeakPolarHBondContact O-CB 3.03Å; T58-D61 PolarHBondContact O-N 2.62Å; T58-D61 WeakPolarHBondContact OG1-CB 3.39Å; T58-D61 VanDerWaalsContact OG1-CG 3.26Å; T58-D61 PolarHBondContact OG1-N 3.3Å; T58-D61 VanDerWaalsContact OG1-N 3.15Å; T58-D61 PolarHBondContact OG1-OD2 3.1Å; D61-S64 PolarHBondContact O-N 2.84Å; D61-I65 VanDerWaalsContact O-CG1 3.23Å; D61-I65 WeakPolarHBondContact O-CG1 3.49Å; D61-I65 PolarHBondContact O-N 3.23Å; D61-P130 HydrophobicContact CB-CG 3.94Å; D61-P130 VanDerWaalsContact OD1-CD 3.28Å; D61-P130 WeakPolarHBondContact OD1-CD 3.3Å; D61-P130 WeakPolarHBondContact OD1-CG 3.26Å
62	M	93.1	Very high	84.7	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.059	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-54.2	175.8	172.2	-167.5	71	0	0	110.9	I57 T58 D59 S64 I65 L66 W88 Y249	I57-M62 HydrophobicContact CG2-CB 4.06Å; T58-M62 PolarHBondContact O-N 3.02Å; D59-M62 WeakPolarHBondContact O-CB 3.06Å; D59-M62 PolarHBondContact O-N 2.9Å; M62-S64 VanDerWaalsContact C-N 3.33Å; M62-S64 PolarHBondContact O-N 3.4Å; M62-I65 PolarHBondContact O-N 3.1Å; M62-L66 PolarHBondContact O-N 3.19Å; M62-W88 HydrophobicContact CB-CH2 4.27Å; M62-W88 HydrophobicContact CB-CZ2 4.29Å; M62-W88 HydrophobicContact CB-CZ3 4.45Å; M62-W88 HydrophobicContact CG-CD2 3.41Å; M62-W88 VanDerWaalsContact CG-CD2 3.41Å; M62-W88 HydrophobicContact CG-CE3 3.62Å; M62-W88 HydrophobicContact CG-CG 3.84Å; M62-W88 HydrophobicContact CG-CH2 3.96Å; M62-W88 HydrophobicContact CG-CZ2 3.8Å; M62-W88 HydrophobicContact CG-CZ3 3.89Å; M62-W88 HydrophobicContact SD-CB 4.41Å; M62-W88 HydrophobicContact SD-CD2 3.95Å; M62-W88 HydrophobicContact SD-CG 3.77Å; M62-Y249 HydrophobicContact CE-CD2 4.39Å; M62-Y249 HydrophobicContact CE-CE2 3.64Å; M62-Y249 HydrophobicContact SD-CE1 4.49Å; M62-Y249 HydrophobicContact SD-CE2 4.31Å; M62-Y249 PolarHBondContact SD-OH 2.84Å
63	Q	93.6	Very high	87.3	Confident	106 Å²	106	50.3 Å²	50.3	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-46	177.5	-71.7	175.9	0.8	0	0	110.9	D59 I65 L66 D67	D59-Q63 WeakPolarHBondContact O-CG 3.22Å; D59-Q63 PolarHBondContact O-N 2.82Å; Q63-I65 VanDerWaalsContact C-N 3.31Å; Q63-I65 PolarHBondContact O-N 3.25Å; Q63-L66 PolarHBondContact O-N 2.81Å; Q63-L66 VanDerWaalsContact O-N 3.13Å; Q63-D67 WeakPolarHBondContact O-CB 3.41Å; Q63-D67 PolarHBondContact O-N 2.85Å
64	S	94.8	Very high	89.7	Confident	48 Å²	48	50.3 Å²	50.3	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-60.3	-38	178.9	-60.9	0	0	0	0	113.2	S60 D61 M62 L68	S60-S64 WeakPolarHBondContact O-CB 3.43Å; S60-S64 PolarHBondContact O-N 2.8Å; S60-S64 PolarHBondContact O-OG 2.92Å; D61-S64 PolarHBondContact O-N 2.84Å; M62-S64 VanDerWaalsContact C-N 3.33Å; M62-S64 PolarHBondContact O-N 3.4Å; S64-L68 WeakPolarHBondContact O-CB 3.42Å; S64-L68 PolarHBondContact O-N 2.77Å; S64-L68 VanDerWaalsContact O-N 3.12Å
65	I	96.8	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-48.5	174.8	-70.2	164.3	0	0	0	110	I57 D61 M62 Q63 L68 H69 W88 P130 V134 I179 C181	I57-I65 HydrophobicContact CD1-CD1 3.78Å; D61-I65 VanDerWaalsContact O-CG1 3.23Å; D61-I65 WeakPolarHBondContact O-CG1 3.49Å; D61-I65 PolarHBondContact O-N 3.23Å; M62-I65 PolarHBondContact O-N 3.1Å; Q63-I65 VanDerWaalsContact C-N 3.31Å; Q63-I65 PolarHBondContact O-N 3.25Å; I65-L68 PolarHBondContact O-N 2.65Å; I65-H69 PolarHBondContact O-N 3.02Å; I65-H69 PolarHBondContact O-ND1 3.07Å; I65-W88 HydrophobicContact CB-CZ3 4.26Å; I65-W88 HydrophobicContact CD1-CH2 4.4Å; I65-W88 HydrophobicContact CG2-CZ3 4.03Å; I65-P130 HydrophobicContact CD1-CB 3.63Å; I65-P130 HydrophobicContact CD1-CG 4.3Å; I65-P130 HydrophobicContact CG1-CB 3.85Å; I65-V134 HydrophobicContact CG2-CG2 4.26Å; I65-I179 HydrophobicContact CG2-CD1 4.26Å; I65-C181 HydrophobicContact CD1-CB 4.29Å
66	L	97.4	Very high	93.5	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.131	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-48.1	-177.2	-173.4	63.9	0	0	0	111.6	M62 Q63 L68 H69 N70 M86 W88 I179	M62-L66 PolarHBondContact O-N 3.19Å; Q63-L66 PolarHBondContact O-N 2.81Å; Q63-L66 VanDerWaalsContact O-N 3.13Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 2.88Å; L66-H69 PolarHBondContact O-N 3.31Å; L66-N70 PolarHBondContact O-N 3.37Å; L66-N70 PolarHBondContact O-ND2 2.93Å; L66-M86 HydrophobicContact CD1-CB 4.33Å; L66-M86 HydrophobicContact CD1-CG 4.17Å; L66-M86 WeakPolarHBondContact CD1-O 3.38Å; L66-W88 HydrophobicContact CD2-CB 4.36Å; L66-I179 HydrophobicContact CD1-CG2 3.72Å
67	D	97	Very high	94.5	Very high	92 Å²	92	52.9 Å²	52.9	49%	0.492	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-42.4	179.3	-68.8	-13.9	0	0	0	111	Q63 N70 K71	Q63-D67 WeakPolarHBondContact O-CB 3.41Å; Q63-D67 PolarHBondContact O-N 2.85Å; D67-N70 PolarHBondContact O-N 3.48Å; D67-K71 WeakPolarHBondContact O-CB 3.26Å; D67-K71 PolarHBondContact O-N 2.9Å
68	L	98.2	Very high	95.1	Very high	30 Å²	30	53 Å²	53	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-42.4	176.5	-177.6	59	0	0	0	111.6	S64 I65 L66 K71 L72 T131 V134	S64-L68 WeakPolarHBondContact O-CB 3.42Å; S64-L68 PolarHBondContact O-N 2.77Å; S64-L68 VanDerWaalsContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 2.65Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 2.88Å; L68-K71 PolarHBondContact O-N 2.96Å; L68-L72 HydrophobicContact CD1-CD1 3.8Å; L68-L72 HydrophobicContact CD1-CD2 4.4Å; L68-L72 HydrophobicContact CD1-CG 3.89Å; L68-L72 HydrophobicContact CG-CD1 3.79Å; L68-L72 HydrophobicContact CG-CG 4.32Å; L68-L72 WeakPolarHBondContact O-CB 3.4Å; L68-L72 WeakPolarHBondContact O-CD1 3.39Å; L68-L72 WeakPolarHBondContact O-CG 3.36Å; L68-L72 PolarHBondContact O-N 3.24Å; L68-T131 HydrophobicContact CD2-CG2 3.9Å; L68-V134 HydrophobicContact CD2-CB 3.82Å; L68-V134 HydrophobicContact CD2-CG1 3.78Å; L68-V134 HydrophobicContact CG-CG1 3.92Å
69	H	98.6	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-50.2	175.1	-81	82.2	0	0	0	111.4	I65 L66 L72 R73 M86 V134 I179 Y206	I65-H69 PolarHBondContact O-N 3.02Å; I65-H69 PolarHBondContact O-ND1 3.07Å; L66-H69 PolarHBondContact O-N 3.31Å; H69-L72 PolarHBondContact O-N 3.33Å; H69-R73 WeakPolarHBondContact O-CB 3.38Å; H69-R73 WeakPolarHBondContact O-CD 3.38Å; H69-R73 WeakPolarHBondContact O-CG 3.35Å; H69-R73 PolarHBondContact O-N 3.37Å; H69-M86 HydrophobicContact CB-SD 4.04Å; H69-V134 VanDerWaalsContact CE1-CG1 3.44Å; H69-V134 WeakPolarHBondContact CE1-CG1 3.45Å; H69-I179 WeakPolarHBondContact CE1-CD1 3.39Å; H69-I179 WeakPolarHBondContact NE2-CD1 3.36Å; H69-Y206 AromaticContact CD2-CE1 3.84Å; H69-Y206 AromaticContact NE2-CE1 3.63Å; H69-Y206 AromaticContact NE2-CZ 3.66Å; H69-Y206 PolarHBondContact NE2-OH 3.2Å
70	N	98.3	Very high	96.1	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-44.3	-179.5	-77.7	-41.1	0	0	0	111.9	L66 D67 L72 R73 G74 Y85 M86 L239	L66-N70 PolarHBondContact O-N 3.37Å; L66-N70 PolarHBondContact O-ND2 2.93Å; D67-N70 PolarHBondContact O-N 3.48Å; N70-L72 VanDerWaalsContact C-N 3.35Å; N70-L72 PolarHBondContact O-N 2.98Å; N70-R73 PolarHBondContact O-N 3.38Å; N70-G74 PolarHBondContact O-N 3.32Å; N70-Y85 HydrophobicContact CB-CE2 4.14Å; N70-Y85 WeakPolarHBondContact ND2-CE2 3.25Å; N70-Y85 VanDerWaalsContact ND2-CZ 3.35Å; N70-M86 PolarHBondContact ND2-O 3.15Å; N70-M86 VanDerWaalsContact OD1-CB 3.31Å; N70-M86 WeakPolarHBondContact OD1-CB 3.49Å; N70-M86 PolarHBondContact OD1-N 2.91Å; N70-L239 HydrophobicContact CB-CD1 3.78Å
71	K	98.2	Very high	96.5	Very high	122 Å²	122	43.3 Å²	43.3	53%	0.53	22%	0.216	S	C	.	.	H	α-helix	trans	-56.2	-47.5	175	-179	178.7	179.4	178.5	0	112.1	D67 L68 G74 Q75	D67-K71 WeakPolarHBondContact O-CB 3.26Å; D67-K71 PolarHBondContact O-N 2.9Å; L68-K71 PolarHBondContact O-N 2.96Å; K71-G74 PolarHBondContact O-N 2.93Å; K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.29Å; K71-Q75 PolarHBondContact O-N 2.84Å
72	L	98.3	Very high	96.8	Very high	7 Å²	7	43 Å²	43	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-40.1	-179.8	-69.9	172.3	0	0	0	112	L68 H69 N70 G74 Q75 V134 Y138	L68-L72 HydrophobicContact CD1-CD1 3.8Å; L68-L72 HydrophobicContact CD1-CD2 4.4Å; L68-L72 HydrophobicContact CD1-CG 3.89Å; L68-L72 HydrophobicContact CG-CD1 3.79Å; L68-L72 HydrophobicContact CG-CG 4.32Å; L68-L72 WeakPolarHBondContact O-CB 3.4Å; L68-L72 WeakPolarHBondContact O-CD1 3.39Å; L68-L72 WeakPolarHBondContact O-CG 3.36Å; L68-L72 PolarHBondContact O-N 3.24Å; H69-L72 PolarHBondContact O-N 3.33Å; N70-L72 VanDerWaalsContact C-N 3.35Å; N70-L72 PolarHBondContact O-N 2.98Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 2.86Å; L72-Q75 PolarHBondContact O-N 2.8Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; L72-V134 HydrophobicContact CD1-CG1 4.22Å; L72-Y138 HydrophobicContact CB-CD2 3.68Å; L72-Y138 HydrophobicContact CB-CE2 3.67Å; L72-Y138 HydrophobicContact CB-CG 4.33Å; L72-Y138 HydrophobicContact CD1-CD2 3.89Å; L72-Y138 HydrophobicContact CD1-CG 3.8Å; L72-Y138 HydrophobicContact CD2-CD1 3.73Å; L72-Y138 HydrophobicContact CD2-CD2 3.99Å; L72-Y138 HydrophobicContact CD2-CE1 3.81Å; L72-Y138 HydrophobicContact CD2-CE2 4.06Å; L72-Y138 HydrophobicContact CD2-CG 3.81Å; L72-Y138 HydrophobicContact CG-CD2 4.05Å; L72-Y138 HydrophobicContact CG-CE2 4.31Å; L72-Y138 HydrophobicContact CG-CG 4.19Å
73	R	98.4	Very high	97	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-34.9	175.4	-72.4	165.4	70.4	78.3	-1.1	112.5	H69 N70 Q75 M83 E84 V171 W173 A174 S176 L239	H69-R73 WeakPolarHBondContact O-CB 3.38Å; H69-R73 WeakPolarHBondContact O-CD 3.38Å; H69-R73 WeakPolarHBondContact O-CG 3.35Å; H69-R73 PolarHBondContact O-N 3.37Å; N70-R73 PolarHBondContact O-N 3.38Å; R73-Q75 VanDerWaalsContact C-N 3.27Å; R73-Q75 PolarHBondContact O-N 3.49Å; R73-M83 HydrophobicContact CB-CG 3.88Å; R73-M83 HydrophobicContact CB-SD 4.01Å; R73-M83 HydrophobicContact CG-SD 4.15Å; R73-M83 PolarHBondContact NH2-SD 2.76Å; R73-M83 VanDerWaalsContact NH2-SD 3.39Å; R73-E84 PolarHBondContact NE-O 3.38Å; R73-E84 PolarHBondContact NH2-O 2.8Å; R73-V171 WeakPolarHBondContact CG-O 3.45Å; R73-V171 PolarHBondContact NH1-O 2.75Å; R73-W173 PolarHBondContact NH1-O 3.19Å; R73-W173 PolarHBondContact NH2-O 3.36Å; R73-W173 VanDerWaalsContact NH2-O 3.14Å; R73-A174 PolarHBondContact NH2-O 3.43Å; R73-A174 VanDerWaalsContact NH2-O 3.07Å; R73-S176 PolarHBondContact NH2-O 2.8Å; R73-L239 HydrophobicContact CB-CD2 3.77Å
74	G	97.3	Very high	97.2	Very high	11 Å²	11	38.4 Å²	38.4	11%	0.113	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.6	176.3	0	0	0	0	0	115.1	N70 K71 L72 N238	N70-G74 PolarHBondContact O-N 3.32Å; K71-G74 PolarHBondContact O-N 2.93Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 2.86Å; G74-N238 PolarHBondContact O-ND2 2.73Å
75	Q	96.7	Very high	97.2	Very high	122 Å²	122	37.9 Å²	37.9	57%	0.57	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	10.3	-173.2	-69	179.2	1	0	0	114	K71 L72 R73	K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.29Å; K71-Q75 PolarHBondContact O-N 2.84Å; L72-Q75 PolarHBondContact O-N 2.8Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; R73-Q75 VanDerWaalsContact C-N 3.27Å; R73-Q75 PolarHBondContact O-N 3.49Å
76	V	97.6	Very high	97.2	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.073	18%	0.184	C	C	.	.			trans	-67.9	150.4	-177.1	-60.1	0	0	0	0	112.9	P78 A80 M83 V172 Y218	V76-P78 CarbonylContact C-O 3.18Å; V76-P78 CarbonylContact O-C 3.54Å; V76-A80 HydrophobicContact CG2-CB 3.84Å; V76-M83 HydrophobicContact CG1-CE 4.44Å; V76-M83 HydrophobicContact CG2-CE 4.05Å; V76-V172 HydrophobicContact CG1-CB 3.9Å; V76-V172 HydrophobicContact CG1-CG1 3.46Å; V76-V172 VanDerWaalsContact CG1-CG1 3.46Å; V76-Y218 HydrophobicContact CB-CE1 4.07Å; V76-Y218 HydrophobicContact CG1-CE1 4.4Å; V76-Y218 HydrophobicContact CG2-CE1 3.91Å; V76-Y218 HydrophobicContact CG2-CE2 4.11Å
77	Y	94.8	Very high	97.2	Very high	200 Å²	200	39.4 Å²	39.4	78%	0.784	20%	0.195	S	C	*	.	S	Bend	trans	-126.8	129.1	172.4	-174.3	-94.2	0	0	0	110.7	Y218	Y77-Y218 PolarHBondContact O-OH 2.79Å
78	P	96.2	Very high	97.2	Very high	21 Å²	21	36 Å²	36	14%	0.136	18%	0.175	C	C	.	.	S	Bend	cis	-62.3	158.1	-2.8	27.9	-35.6	0	0	0	112.3	V76 Y146 Y218 P220	V76-P78 CarbonylContact C-O 3.18Å; V76-P78 CarbonylContact O-C 3.54Å; P78-Y146 VanDerWaalsContact CD-CG 3.46Å; P78-Y146 HydrophobicContact CG-CD1 3.5Å; P78-Y146 VanDerWaalsContact CG-CD1 3.5Å; P78-Y146 HydrophobicContact CG-CD2 4.03Å; P78-Y146 HydrophobicContact CG-CE1 3.76Å; P78-Y146 HydrophobicContact CG-CE2 4.28Å; P78-Y146 HydrophobicContact CG-CG 3.65Å; P78-Y218 HydrophobicContact CG-CE2 4.29Å; P78-Y218 WeakPolarHBondContact O-CE2 3.22Å; P78-Y218 PolarHBondContact O-OH 3.31Å; P78-P220 HydrophobicContact CB-CB 4.27Å; P78-P220 HydrophobicContact CG-CB 4.06Å
79	P	97.2	Very high	97.1	Very high	57 Å²	57	35.8 Å²	35.8	37%	0.37	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-62.5	143.1	-179.3	24.4	-32.6	0	0	0	111.1	P220 G221 P223	P79-P220 CarbonylContact O-C 3.6Å; P79-P220 WeakPolarHBondContact O-CA 3.49Å; P79-G221 CarbonylContact C-O 3.55Å; P79-G221 PolarHBondContact O-N 2.76Å; P79-G221 VanDerWaalsContact O-O 3.07Å; P79-P223 HydrophobicContact CB-CG 4.31Å
80	A	97.6	Very high	96.9	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.041	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-96.2	129.2	-175.5	0	0	0	0	0	111.6	V76 M83 Y218 K219 P223	V76-A80 HydrophobicContact CG2-CB 3.84Å; A80-M83 HydrophobicContact CB-CB 3.87Å; A80-M83 HydrophobicContact CB-CE 3.67Å; A80-Y218 HydrophobicContact CB-CD2 3.41Å; A80-Y218 VanDerWaalsContact CB-CD2 3.41Å; A80-Y218 HydrophobicContact CB-CE2 3.92Å; A80-Y218 HydrophobicContact CB-CG 3.74Å; A80-K219 WeakPolarHBondContact CA-O 3.48Å; A80-P223 WeakPolarHBondContact O-CA 3.49Å
81	S	96.6	Very high	96.6	Very high	7 Å²	7	44.3 Å²	44.3	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-83.6	-20.7	179.8	55.4	0	0	0	0	114.6	K219 R222 C224 S225 A226	S81-K219 PolarHBondContact N-O 3.39Å; S81-K219 WeakPolarHBondContact OG-CB 3.37Å; S81-K219 PolarHBondContact OG-O 2.87Å; S81-R222 WeakPolarHBondContact CA-O 3.47Å; S81-R222 WeakPolarHBondContact CB-O 3.37Å; S81-C224 CarbonylContact O-C 3.43Å; S81-C224 WeakPolarHBondContact O-CA 3.1Å; S81-C224 PolarHBondContact O-N 3.19Å; S81-S225 VanDerWaalsContact CB-OG 3.28Å; S81-S225 WeakPolarHBondContact CB-OG 3.37Å; S81-S225 PolarHBondContact O-N 3.1Å; S81-A226 CarbonylContact O-C 3.5Å; S81-A226 PolarHBondContact O-N 3.36Å
82	N	96.5	Very high	96.5	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.102	20%	0.201	C	C	.	.	S	Bend	trans	-130.7	23.5	-169.7	72.4	-41.4	0	0	0	113.5	E84 K219 A226	N82-E84 PolarHBondContact O-N 3.32Å; N82-K219 WeakPolarHBondContact OD1-CB 3.45Å; N82-K219 PolarHBondContact OD1-N 3.21Å; N82-A226 HydrophobicContact CB-CB 4.13Å; N82-A226 VanDerWaalsContact CB-O 3.23Å; N82-A226 WeakPolarHBondContact CB-O 3.38Å
83	M	98	Very high	96.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.211	C	C	.	.			trans	-70.8	115.3	-175.9	-170.8	67.5	67.9	0	0	110.7	R73 V76 A80 V172 A174 Y218 L239 C240	R73-M83 HydrophobicContact CB-CG 3.88Å; R73-M83 HydrophobicContact CB-SD 4.01Å; R73-M83 HydrophobicContact CG-SD 4.15Å; R73-M83 PolarHBondContact NH2-SD 2.76Å; R73-M83 VanDerWaalsContact NH2-SD 3.39Å; V76-M83 HydrophobicContact CG1-CE 4.44Å; V76-M83 HydrophobicContact CG2-CE 4.05Å; A80-M83 HydrophobicContact CB-CB 3.87Å; A80-M83 HydrophobicContact CB-CE 3.67Å; M83-V172 HydrophobicContact CE-CB 4.42Å; M83-V172 WeakPolarHBondContact CE-O 3Å; M83-A174 HydrophobicContact SD-CB 4.41Å; M83-Y218 HydrophobicContact CE-CD1 3.69Å; M83-Y218 HydrophobicContact CE-CE1 4.39Å; M83-Y218 HydrophobicContact CE-CG 3.89Å; M83-L239 HydrophobicContact CB-CD2 3.94Å; M83-L239 HydrophobicContact CG-CD2 3.31Å; M83-L239 CarbonylContact O-C 3.56Å; M83-L239 WeakPolarHBondContact O-CA 3.45Å; M83-C240 PolarHBondContact O-N 2.79Å; M83-C240 PolarHBondContact O-SG 2.87Å; M83-C240 VanDerWaalsContact O-SG 3.4Å
84	E	96.4	Very high	96.1	Very high	22 Å²	22	49.9 Å²	49.9	10%	0.103	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-78.1	142.9	-179.1	-60.9	175.4	-160.2	0	0	111.8	R73 N82 A174 S177 P228 F231	R73-E84 PolarHBondContact NE-O 3.38Å; R73-E84 PolarHBondContact NH2-O 2.8Å; N82-E84 PolarHBondContact O-N 3.32Å; E84-A174 WeakPolarHBondContact CB-O 3.42Å; E84-A174 VanDerWaalsContact CG-O 3.31Å; E84-A174 WeakPolarHBondContact CG-O 3.46Å; E84-A174 PolarHBondContact N-O 3.28Å; E84-S177 VanDerWaalsContact OE2-CB 3.26Å; E84-S177 WeakPolarHBondContact OE2-CB 3.3Å; E84-S177 PolarHBondContact OE2-OG 3.27Å; E84-P228 HydrophobicContact CG-CG 4.34Å; E84-F231 HydrophobicContact CB-CE1 4.38Å; E84-F231 HydrophobicContact CB-CE2 4.11Å; E84-F231 HydrophobicContact CB-CZ 3.69Å; E84-F231 HydrophobicContact CG-CD2 4.49Å; E84-F231 HydrophobicContact CG-CE2 3.61Å; E84-F231 HydrophobicContact CG-CZ 3.75Å
85	Y	96.3	Very high	95.9	Very high	36 Å²	36	50.5 Å²	50.5	14%	0.141	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.1	133	169.3	-173.2	-93	0	0	0	109.9	N70 T87 R236 L239 C240 Y241	N70-Y85 HydrophobicContact CB-CE2 4.14Å; N70-Y85 WeakPolarHBondContact ND2-CE2 3.25Å; N70-Y85 VanDerWaalsContact ND2-CZ 3.35Å; Y85-T87 HydrophobicContact CD1-CG2 4.12Å; Y85-T87 HydrophobicContact CE1-CG2 4.25Å; Y85-R236 PolarHBondContact OH-NH2 2.78Å; Y85-L239 HydrophobicContact CD2-CB 4.38Å; Y85-L239 HydrophobicContact CD2-CD1 3.71Å; Y85-L239 HydrophobicContact CE2-CD1 4.36Å; Y85-C240 WeakPolarHBondContact CB-O 3.28Å; Y85-C240 PolarHBondContact N-O 3.13Å; Y85-Y241 AromaticContact CD1-CD2 3.92Å; Y85-Y241 HydrophobicContact CD1-CD2 3.92Å; Y85-Y241 AromaticContact CD1-CE2 3.91Å; Y85-Y241 HydrophobicContact CD1-CE2 3.91Å; Y85-Y241 AromaticContact CD2-CD2 3.72Å; Y85-Y241 HydrophobicContact CD2-CD2 3.72Å; Y85-Y241 HydrophobicContact CD2-CE2 4.16Å; Y85-Y241 HydrophobicContact CE1-CD2 4.35Å; Y85-Y241 AromaticContact CE1-CE2 3.94Å; Y85-Y241 HydrophobicContact CE1-CE2 3.94Å; Y85-Y241 HydrophobicContact CE2-CD2 4.17Å; Y85-Y241 HydrophobicContact CE2-CE2 4.19Å; Y85-Y241 AromaticContact CG-CD2 3.59Å; Y85-Y241 HydrophobicContact CG-CD2 3.59Å; Y85-Y241 HydrophobicContact CG-CE2 4.03Å
86	M	96.5	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-92.5	134.8	-179	-168	174	-81.1	0	0	110.4	L66 H69 N70 S176 S177 I179 Y206	L66-M86 HydrophobicContact CD1-CB 4.33Å; L66-M86 HydrophobicContact CD1-CG 4.17Å; L66-M86 WeakPolarHBondContact CD1-O 3.38Å; H69-M86 HydrophobicContact CB-SD 4.04Å; N70-M86 PolarHBondContact ND2-O 3.15Å; N70-M86 VanDerWaalsContact OD1-CB 3.31Å; N70-M86 WeakPolarHBondContact OD1-CB 3.49Å; N70-M86 PolarHBondContact OD1-N 2.91Å; M86-S176 WeakPolarHBondContact CE-O 3.08Å; M86-S177 CarbonylContact C-O 3.58Å; M86-S177 VanDerWaalsContact CA-O 3.26Å; M86-S177 WeakPolarHBondContact CA-O 3.48Å; M86-I179 HydrophobicContact CG-CB 4.05Å; M86-I179 HydrophobicContact CG-CG2 3.74Å; M86-I179 HydrophobicContact SD-CB 3.55Å; M86-I179 VanDerWaalsContact SD-CB 3.55Å; M86-I179 HydrophobicContact SD-CD1 4.09Å; M86-I179 HydrophobicContact SD-CG1 4.36Å; M86-I179 HydrophobicContact SD-CG2 3.57Å; M86-I179 VanDerWaalsContact SD-CG2 3.57Å; M86-Y206 HydrophobicContact CE-CD1 3.85Å; M86-Y206 HydrophobicContact CE-CE1 4.14Å; M86-Y206 HydrophobicContact SD-CD1 4.4Å; M86-Y206 HydrophobicContact SD-CE1 4.39Å
87	T	96.3	Very high	95.8	Very high	58 Å²	58	45.7 Å²	45.7	36%	0.356	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	157.7	171.8	63.6	0	0	0	0	110.7	Y85 S177 R178 I179	Y85-T87 HydrophobicContact CD1-CG2 4.12Å; Y85-T87 HydrophobicContact CE1-CG2 4.25Å; T87-S177 PolarHBondContact N-O 3.23Å; T87-R178 VanDerWaalsContact O-CA 3.32Å; T87-R178 WeakPolarHBondContact O-CA 3.05Å; T87-I179 PolarHBondContact O-N 3.26Å
88	W	96.6	Very high	95.7	Very high	21 Å²	21	40.1 Å²	40.1	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.2	172.7	-165.5	-97.5	0	0	0	110.9	I57 M62 I65 L66 E93 I179 C181 Y249	I57-W88 HydrophobicContact CD1-CH2 4.45Å; M62-W88 HydrophobicContact CB-CH2 4.27Å; M62-W88 HydrophobicContact CB-CZ2 4.29Å; M62-W88 HydrophobicContact CB-CZ3 4.45Å; M62-W88 HydrophobicContact CG-CD2 3.41Å; M62-W88 VanDerWaalsContact CG-CD2 3.41Å; M62-W88 HydrophobicContact CG-CE3 3.62Å; M62-W88 HydrophobicContact CG-CG 3.84Å; M62-W88 HydrophobicContact CG-CH2 3.96Å; M62-W88 HydrophobicContact CG-CZ2 3.8Å; M62-W88 HydrophobicContact CG-CZ3 3.89Å; M62-W88 HydrophobicContact SD-CB 4.41Å; M62-W88 HydrophobicContact SD-CD2 3.95Å; M62-W88 HydrophobicContact SD-CG 3.77Å; I65-W88 HydrophobicContact CB-CZ3 4.26Å; I65-W88 HydrophobicContact CD1-CH2 4.4Å; I65-W88 HydrophobicContact CG2-CZ3 4.03Å; L66-W88 HydrophobicContact CD2-CB 4.36Å; W88-E93 HydrophobicContact CZ2-CB 4.12Å; W88-E93 HydrophobicContact CZ2-CG 4.27Å; W88-E93 PolarHBondContact NE1-OE2 2.59Å; W88-I179 CarbonylContact C-O 3.55Å; W88-I179 VanDerWaalsContact CA-O 3.27Å; W88-I179 WeakPolarHBondContact CA-O 3.07Å; W88-I179 HydrophobicContact CE3-CG2 3.97Å; W88-I179 HydrophobicContact CZ3-CG2 4.47Å; W88-C181 HydrophobicContact CH2-CB 3.73Å; W88-C181 VanDerWaalsContact CH2-N 3.3Å; W88-C181 HydrophobicContact CZ3-CB 4.37Å; W88-Y249 VanDerWaalsContact CB-OH 3.3Å; W88-Y249 WeakPolarHBondContact CB-OH 3.5Å; W88-Y249 VanDerWaalsContact CD1-OH 3.29Å
89	D	96.8	Very high	95.6	Very high	25 Å²	25	41 Å²	41	13%	0.134	22%	0.219	C	C	.	.			trans	-132.2	116.3	178.8	-178.1	-54.7	0	0	0	108.8	D91 L92 E93 R178 I179	D89-D91 VanDerWaalsContact C-N 3.3Å; D89-D91 PolarHBondContact O-N 3.49Å; D89-D91 WeakPolarHBondContact OD1-CB 2.93Å; D89-D91 PolarHBondContact OD1-N 3.03Å; D89-L92 HydrophobicContact CB-CB 4.18Å; D89-L92 HydrophobicContact CB-CD1 3.9Å; D89-L92 HydrophobicContact CB-CG 3.97Å; D89-L92 PolarHBondContact O-N 3.24Å; D89-L92 PolarHBondContact OD1-N 3.46Å; D89-E93 PolarHBondContact O-N 2.82Å; D89-R178 HydrophobicContact CB-CB 4Å; D89-R178 HydrophobicContact CB-CG 4.48Å; D89-R178 WeakPolarHBondContact OD2-CD 3.42Å; D89-R178 IonicContact OD2-CZ 3.75Å; D89-R178 IonicContact OD2-NE 2.81Å; D89-R178 IonicContact OD2-NH1 3.1Å; D89-R178 PolarHBondContact OD2-NH1 3.15Å; D89-I179 PolarHBondContact N-O 3.24Å
90	T	94.1	Very high	95.4	Very high	75 Å²	75	38.3 Å²	38.3	46%	0.46	20%	0.201	S	C	.	.	H	α-helix	trans	-71.1	-24.6	-172.9	51.7	0	0	0	0	112.7	R94	T90-R94 WeakPolarHBondContact O-CB 3.35Å; T90-R94 PolarHBondContact O-N 3.1Å
91	D	92.9	Very high	95.2	Very high	108 Å²	108	42.8 Å²	42.8	58%	0.578	22%	0.222	S	C	*	.	H	α-helix	trans	-73.8	-39.4	174	-71.7	-32.5	0	0	0	110.8	D89 E93 R94 S95	D89-D91 VanDerWaalsContact C-N 3.3Å; D89-D91 PolarHBondContact O-N 3.49Å; D89-D91 WeakPolarHBondContact OD1-CB 2.93Å; D89-D91 PolarHBondContact OD1-N 3.03Å; D91-E93 VanDerWaalsContact C-N 3.33Å; D91-R94 PolarHBondContact O-N 2.97Å; D91-S95 WeakPolarHBondContact O-CB 3.44Å; D91-S95 PolarHBondContact O-N 3.28Å
92	L	96.2	Very high	94.9	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-40.3	172.3	-66.7	-176.6	0	0	0	111.8	D89 S95 A96 I116 R178 N205	D89-L92 HydrophobicContact CB-CB 4.18Å; D89-L92 HydrophobicContact CB-CD1 3.9Å; D89-L92 HydrophobicContact CB-CG 3.97Å; D89-L92 PolarHBondContact O-N 3.24Å; D89-L92 PolarHBondContact OD1-N 3.46Å; L92-S95 PolarHBondContact O-N 3.34Å; L92-A96 WeakPolarHBondContact O-CB 2.95Å; L92-A96 PolarHBondContact O-N 2.81Å; L92-I116 HydrophobicContact CD2-CG2 4Å; L92-R178 HydrophobicContact CD1-CB 4.03Å; L92-N205 HydrophobicContact CB-CB 4.12Å; L92-N205 HydrophobicContact CD2-CB 4.23Å; L92-N205 PolarHBondContact O-ND2 2.84Å; L92-N205 VanDerWaalsContact O-ND2 3.16Å
93	E	95.5	Very high	94.7	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-50.1	173.9	165.3	175.5	-163.6	0	0	111.1	W88 D89 D91 S95 A96 A97 C181	W88-E93 HydrophobicContact CZ2-CB 4.12Å; W88-E93 HydrophobicContact CZ2-CG 4.27Å; W88-E93 PolarHBondContact NE1-OE2 2.59Å; D89-E93 PolarHBondContact O-N 2.82Å; D91-E93 VanDerWaalsContact C-N 3.33Å; E93-S95 VanDerWaalsContact C-N 3.26Å; E93-S95 PolarHBondContact O-N 3.09Å; E93-A96 CarbonylContact O-C 3.6Å; E93-A96 WeakPolarHBondContact O-CA 3.48Å; E93-A96 WeakPolarHBondContact O-CB 2.96Å; E93-A96 PolarHBondContact O-N 3.2Å; E93-A97 WeakPolarHBondContact O-CB 3.37Å; E93-A97 PolarHBondContact O-N 2.89Å; E93-C181 WeakPolarHBondContact CG-O 3.45Å
94	R	93	Very high	94.2	Very high	177 Å²	177	49.5 Å²	49.5	67%	0.668	27%	0.265	S	S	*	.	H	α-helix	trans	-58.4	-41.7	178.4	-169.8	-174.3	-54.4	-159.9	3.6	111.4	T90 D91 A97 S98	T90-R94 WeakPolarHBondContact O-CB 3.35Å; T90-R94 PolarHBondContact O-N 3.1Å; D91-R94 PolarHBondContact O-N 2.97Å; R94-A97 PolarHBondContact O-N 3.06Å; R94-S98 PolarHBondContact O-N 3.29Å
95	S	92.9	Very high	93.9	Very high	24 Å²	24	50.9 Å²	50.9	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-37.9	174.1	-178.6	0	0	0	0	112.4	D91 L92 E93 W99 L112	D91-S95 WeakPolarHBondContact O-CB 3.44Å; D91-S95 PolarHBondContact O-N 3.28Å; L92-S95 PolarHBondContact O-N 3.34Å; E93-S95 VanDerWaalsContact C-N 3.26Å; E93-S95 PolarHBondContact O-N 3.09Å; S95-W99 PolarHBondContact O-N 3.44Å; S95-L112 WeakPolarHBondContact OG-CD1 3.28Å
96	A	96.4	Very high	93.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-40.5	177	0	0	0	0	0	110.9	L92 E93 W99 A100 A182 V203 N205	L92-A96 WeakPolarHBondContact O-CB 2.95Å; L92-A96 PolarHBondContact O-N 2.81Å; E93-A96 CarbonylContact O-C 3.6Å; E93-A96 WeakPolarHBondContact O-CA 3.48Å; E93-A96 WeakPolarHBondContact O-CB 2.96Å; E93-A96 PolarHBondContact O-N 3.2Å; A96-W99 PolarHBondContact O-N 2.04Å; A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.35Å; A96-A182 HydrophobicContact CB-CB 3.94Å; A96-V203 HydrophobicContact CB-CB 4.16Å; A96-V203 HydrophobicContact CB-CG1 3.95Å; A96-N205 WeakPolarHBondContact CA-ND2 3.49Å; A96-N205 PolarHBondContact N-ND2 2.99Å
97	A	94.3	Very high	92.9	Very high	33 Å²	33	60 Å²	60	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-48.5	177.9	0	0	0	0	0	111.2	E93 R94 W99 A100 E101 A182	E93-A97 WeakPolarHBondContact O-CB 3.37Å; E93-A97 PolarHBondContact O-N 2.89Å; R94-A97 PolarHBondContact O-N 3.06Å; A97-W99 PolarHBondContact O-N 3.48Å; A97-A100 PolarHBondContact O-N 3.1Å; A97-E101 WeakPolarHBondContact O-CG 3.3Å; A97-E101 PolarHBondContact O-N 2.9Å; A97-A182 HydrophobicContact CB-CB 3.62Å
98	S	92.9	Very high	92.3	Very high	84 Å²	84	57.3 Å²	57.3	59%	0.587	30%	0.296	S	S	*	.	H	α-helix	trans	-57.4	-35.7	176.1	179.9	0	0	0	0	112.5	R94	R94-S98 PolarHBondContact O-N 3.29Å
99	W	93.8	Very high	91.8	Very high	40 Å²	40	58.1 Å²	58.1	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-76.9	-41	176.6	-169	-110	0	0	0	113	S95 A96 A97 E101 A102 E106 H107 G108 P109 Y201	S95-W99 PolarHBondContact O-N 3.44Å; A96-W99 PolarHBondContact O-N 2.04Å; A97-W99 PolarHBondContact O-N 3.48Å; W99-E101 PolarHBondContact O-N 3.44Å; W99-A102 WeakPolarHBondContact O-CB 3.13Å; W99-A102 PolarHBondContact O-N 2.88Å; W99-A102 VanDerWaalsContact O-N 3.09Å; W99-E106 WeakPolarHBondContact CZ2-O 3.25Å; W99-E106 PolarHBondContact NE1-O 3.41Å; W99-H107 VanDerWaalsContact CZ2-C 3.47Å; W99-H107 WeakPolarHBondContact CZ2-O 3.18Å; W99-G108 VanDerWaalsContact CD2-C 3.4Å; W99-G108 VanDerWaalsContact CE2-CA 3.43Å; W99-G108 VanDerWaalsContact CE2-N 3.29Å; W99-G108 VanDerWaalsContact CZ2-CA 3.43Å; W99-P109 HydrophobicContact CE3-CB 4.21Å; W99-P109 HydrophobicContact CZ3-CB 4.21Å; W99-Y201 PolarHBondContact NE1-OH 3.45Å
100	A	94.7	Very high	90.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-34.2	177.6	0	0	0	0	0	111.9	A96 A97 A102 C103 A182 N184 Y201 V203	A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.35Å; A97-A100 PolarHBondContact O-N 3.1Å; A100-A102 PolarHBondContact O-N 2.96Å; A100-C103 PolarHBondContact O-N 3.02Å; A100-A182 HydrophobicContact CB-CB 4.48Å; A100-N184 HydrophobicContact CB-CB 3.76Å; A100-N184 WeakPolarHBondContact O-CB 3.35Å; A100-N184 PolarHBondContact O-ND2 3.02Å; A100-Y201 HydrophobicContact CB-CD1 4.3Å; A100-V203 HydrophobicContact CB-CB 4.45Å; A100-V203 HydrophobicContact CB-CG2 3.79Å
101	E	92.9	Very high	89.7	Confident	99 Å²	99	61.5 Å²	61.5	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-28.2	174.6	-76.7	-174.9	167.9	0	0	113.5	K54 A97 W99 C103 N184	K54-E101 IonicContact NZ-OE1 2.71Å; K54-E101 PolarHBondContact NZ-OE1 3.07Å; A97-E101 WeakPolarHBondContact O-CG 3.3Å; A97-E101 PolarHBondContact O-N 2.9Å; W99-E101 PolarHBondContact O-N 3.44Å; E101-C103 PolarHBondContact O-N 2.84Å; E101-N184 WeakPolarHBondContact CA-ND2 2.96Å
102	A	90.3	Very high	89.1	Confident	45 Å²	45	59.1 Å²	59.1	37%	0.372	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.4	179.1	0	0	0	0	0	113	W99 A100 L104	W99-A102 WeakPolarHBondContact O-CB 3.13Å; W99-A102 PolarHBondContact O-N 2.88Å; W99-A102 VanDerWaalsContact O-N 3.09Å; A100-A102 PolarHBondContact O-N 2.96Å; A102-L104 HydrophobicContact CB-CD1 4.22Å; A102-L104 HydrophobicContact CB-CG 4.12Å; A102-L104 WeakPolarHBondContact O-CG 3.48Å; A102-L104 PolarHBondContact O-N 2.87Å
103	C	91.9	Very high	88.2	Confident	32 Å²	32	60.5 Å²	60.5	22%	0.216	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	36.7	-178.2	-71.9	0	0	0	0	113.9	A100 E101 N184 C186 M189	A100-C103 PolarHBondContact O-N 3.02Å; E101-C103 PolarHBondContact O-N 2.84Å; C103-N184 PolarHBondContact SG-ND2 3.13Å; C103-C186 WeakPolarHBondContact CA-SG 3.43Å; C103-C186 HydrophobicContact CB-CB 3.67Å; C103-C186 WeakPolarHBondContact CB-SG 3.28Å; C103-C186 WeakPolarHBondContact SG-CA 3.23Å; C103-C186 WeakPolarHBondContact SG-CB 3.31Å; C103-C186 CovalentContact SG-SG 2.04Å; C103-C186 PolarHBondContact SG-SG 3.01Å; C103-M189 WeakPolarHBondContact O-CG 2.89Å
104	L	88.6	Confident	87.4	Confident	91 Å²	91	62.1 Å²	62.1	48%	0.476	35%	0.347	S	S	.	.			trans	-104.8	125.1	175.7	-60.2	177.5	0	0	0	109.3	A102 E106 M189 Y201	A102-L104 HydrophobicContact CB-CD1 4.22Å; A102-L104 HydrophobicContact CB-CG 4.12Å; A102-L104 WeakPolarHBondContact O-CG 3.48Å; A102-L104 PolarHBondContact O-N 2.87Å; L104-E106 PolarHBondContact O-N 2.81Å; L104-M189 VanDerWaalsContact C-CE 3.44Å; L104-Y201 PolarHBondContact O-OH 2.87Å
105	W	89.8	Confident	86.9	Confident	50 Å²	50	57 Å²	57	19%	0.189	34%	0.338	C	S	.	.	S	Bend	trans	-78.9	61.8	177	-172.3	-112.1	0	0	0	111.4	L120 A122 M189 N190 I191 W192 Y201	W105-L120 HydrophobicContact CH2-CB 4.11Å; W105-L120 HydrophobicContact CZ3-CB 4.08Å; W105-A122 HydrophobicContact CE3-CB 3.82Å; W105-A122 HydrophobicContact CH2-CB 3.84Å; W105-A122 HydrophobicContact CZ3-CB 3.3Å; W105-M189 HydrophobicContact CB-CE 3.89Å; W105-M189 HydrophobicContact CE3-CE 3.96Å; W105-N190 WeakPolarHBondContact CB-O 3.17Å; W105-I191 HydrophobicContact CB-CG1 4.01Å; W105-I191 HydrophobicContact CD2-CG1 4.06Å; W105-I191 HydrophobicContact CD2-CG2 4.23Å; W105-I191 HydrophobicContact CE3-CG1 4.39Å; W105-I191 HydrophobicContact CG-CB 4.29Å; W105-I191 HydrophobicContact CG-CG1 3.87Å; W105-I191 HydrophobicContact CG-CG2 4.17Å; W105-W192 AromaticContact CD1-NE1 3.8Å; W105-W192 HydrophobicContact CZ2-CH2 4.21Å; W105-W192 AromaticContact CZ2-CZ2 3.87Å; W105-W192 HydrophobicContact CZ2-CZ2 3.87Å; W105-W192 AromaticContact NE1-CD1 3.82Å; W105-W192 AromaticContact NE1-CD2 3.94Å; W105-W192 AromaticContact NE1-CE2 3.27Å; W105-W192 VanDerWaalsContact NE1-CE2 3.27Å; W105-W192 AromaticContact NE1-CZ2 3.55Å; W105-W192 AromaticContact NE1-NE1 3.19Å; W105-W192 VanDerWaalsContact NE1-NE1 3.19Å; W105-Y201 AromaticContact CE3-CD2 3.9Å; W105-Y201 HydrophobicContact CE3-CD2 3.9Å; W105-Y201 AromaticContact CE3-CE2 3.59Å; W105-Y201 HydrophobicContact CE3-CE2 3.59Å; W105-Y201 AromaticContact CZ3-CD2 3.77Å; W105-Y201 HydrophobicContact CZ3-CD2 3.77Å; W105-Y201 AromaticContact CZ3-CE2 3.56Å; W105-Y201 HydrophobicContact CZ3-CE2 3.56Å
106	E	85.3	Confident	86.8	Confident	135 Å²	135	56.4 Å²	56.4	63%	0.631	33%	0.333	S	S	*	.	S	Bend	trans	-146.6	159.2	-179.9	-64.1	-170.3	168.8	0	0	110.2	W99 L104 L120 Y201	W99-E106 WeakPolarHBondContact CZ2-O 3.25Å; W99-E106 PolarHBondContact NE1-O 3.41Å; L104-E106 PolarHBondContact O-N 2.81Å; E106-L120 WeakPolarHBondContact O-CD1 3.22Å; E106-Y201 PolarHBondContact O-OH 2.81Å
107	H	86.8	Confident	86.7	Confident	94 Å²	94	56.6 Å²	56.6	44%	0.435	34%	0.335	S	S	.	.			trans	-75.2	143.5	172.8	-70.9	-73.2	0	0	0	111.3	W99 L113 Q118	W99-H107 VanDerWaalsContact CZ2-C 3.47Å; W99-H107 WeakPolarHBondContact CZ2-O 3.18Å; H107-L113 HydrophobicContact CB-CD1 3.75Å; H107-L113 HydrophobicContact CB-CD2 4.05Å; H107-Q118 PolarHBondContact CE1-O 2.91Å; H107-Q118 VanDerWaalsContact CE1-O 3.25Å; H107-Q118 PolarHBondContact ND1-OE1 2.78Å
108	G	83.4	Confident	86.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.325	C	S	.	.			trans	175.2	-174.7	173.9	0	0	0	0	0	114.9	W99 Q118	W99-G108 VanDerWaalsContact CD2-C 3.4Å; W99-G108 VanDerWaalsContact CE2-CA 3.43Å; W99-G108 VanDerWaalsContact CE2-N 3.29Å; W99-G108 VanDerWaalsContact CZ2-CA 3.43Å; G108-Q118 PolarHBondContact O-NE2 3.16Å; G108-Q118 PolarHBondContact O-OE1 3.05Å
109	P	85.2	Confident	87	Confident	39 Å²	39	51.8 Å²	51.8	25%	0.253	30%	0.298	S	S	.	.			cis	-68.3	147.3	-5.7	29.7	-35.1	0	0	0	111.5	W99 S111 L112 L113	W99-P109 HydrophobicContact CE3-CB 4.21Å; W99-P109 HydrophobicContact CZ3-CB 4.21Å; P109-S111 PolarHBondContact O-N 2.71Å; P109-L112 HydrophobicContact CG-CB 4.21Å; P109-L112 HydrophobicContact CG-CD1 3.66Å; P109-L112 HydrophobicContact CG-CG 3.9Å; P109-L112 PolarHBondContact O-N 3.17Å; P109-L113 PolarHBondContact O-N 2.89Å
110	A	72.8	Confident	87.2	Confident	81 Å²	81	50.4 Å²	50.4	67%	0.669	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.5	-173.4	0	0	0	0	0	114.2	L112 P114	A110-L112 VanDerWaalsContact C-N 3.33Å; A110-P114 VanDerWaalsContact O-CD 3.31Å; A110-P114 WeakPolarHBondContact O-CD 3.05Å
111	S	74.6	Confident	87.2	Confident	90 Å²	90	50.6 Å²	50.6	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-29.4	175.8	54	0	0	0	0	113.7	P109	P109-S111 PolarHBondContact O-N 2.71Å
112	L	80.5	Confident	87.2	Confident	57 Å²	57	46.9 Å²	46.9	30%	0.298	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-27.6	-177	-64.9	179.3	0	0	0	112.7	S95 P109 A110 P114 S115 I116	S95-L112 WeakPolarHBondContact OG-CD1 3.28Å; P109-L112 HydrophobicContact CG-CB 4.21Å; P109-L112 HydrophobicContact CG-CD1 3.66Å; P109-L112 HydrophobicContact CG-CG 3.9Å; P109-L112 PolarHBondContact O-N 3.17Å; A110-L112 VanDerWaalsContact C-N 3.33Å; L112-P114 WeakPolarHBondContact O-CD 3.32Å; L112-S115 PolarHBondContact O-N 3.34Å; L112-S115 PolarHBondContact O-OG 3.21Å; L112-I116 HydrophobicContact CB-CD1 3.79Å; L112-I116 HydrophobicContact CB-CG1 4.13Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 3.48Å
113	L	77.2	Confident	87.3	Confident	44 Å²	44	45.7 Å²	45.7	23%	0.23	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.2	180	-62.7	-178.5	0	0	0	116.3	H107 P109 Q118 K209	H107-L113 HydrophobicContact CB-CD1 3.75Å; H107-L113 HydrophobicContact CB-CD2 4.05Å; P109-L113 PolarHBondContact O-N 2.89Å; L113-Q118 HydrophobicContact CD2-CB 4.25Å; L113-K209 PolarHBondContact O-NZ 3.44Å
114	P	77.9	Confident	87.2	Confident	90 Å²	90	50.6 Å²	50.6	58%	0.584	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.8	169.5	-24.5	36.1	0	0	0	113.5	A110 L112	A110-P114 VanDerWaalsContact O-CD 3.31Å; A110-P114 WeakPolarHBondContact O-CD 3.05Å; L112-P114 WeakPolarHBondContact O-CD 3.32Å
115	S	82.3	Confident	87.1	Confident	68 Å²	68	49.7 Å²	49.7	48%	0.476	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-24.3	-173.5	53	0	0	0	0	114.3	L112	L112-S115 PolarHBondContact O-N 3.34Å; L112-S115 PolarHBondContact O-OG 3.21Å
116	I	92.4	Very high	86.9	Confident	13 Å²	13	57.6 Å²	57.6	7%	0.067	32%	0.324	C	S	.	.			trans	-115.5	148.1	179.5	74.3	179.2	0	0	0	112	L92 L112 N205 Y206 K209	L92-I116 HydrophobicContact CD2-CG2 4Å; L112-I116 HydrophobicContact CB-CD1 3.79Å; L112-I116 HydrophobicContact CB-CG1 4.13Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 3.48Å; I116-N205 HydrophobicContact CD1-CB 4.01Å; I116-Y206 CarbonylContact C-O 3.43Å; I116-Y206 WeakPolarHBondContact CA-O 3.15Å; I116-K209 WeakPolarHBondContact O-CD 3.48Å
117	G	93.2	Very high	86.9	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	155.6	161.4	0	0	0	0	0	110.2	N205 Y206	G117-N205 CarbonylContact O-C 3.54Å; G117-N205 WeakPolarHBondContact O-CA 3.38Å; G117-Y206 PolarHBondContact N-O 3.11Å; G117-Y206 PolarHBondContact O-N 3.46Å
118	Q	96.6	Very high	87	Confident	14 Å²	14	59.1 Å²	59.1	7%	0.065	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	129.5	176.6	-176	175.7	80.9	0	0	111.7	H107 G108 L113 L120 V203 C204 N205	H107-Q118 PolarHBondContact CE1-O 2.91Å; H107-Q118 VanDerWaalsContact CE1-O 3.25Å; H107-Q118 PolarHBondContact ND1-OE1 2.78Å; G108-Q118 PolarHBondContact O-NE2 3.16Å; G108-Q118 PolarHBondContact O-OE1 3.05Å; L113-Q118 HydrophobicContact CD2-CB 4.25Å; Q118-L120 HydrophobicContact CG-CD2 3.86Å; Q118-L120 HydrophobicContact CG-CG 4.45Å; Q118-V203 HydrophobicContact CG-CG1 4.08Å; Q118-C204 CarbonylContact C-O 3.58Å; Q118-C204 VanDerWaalsContact CA-O 3.24Å; Q118-C204 WeakPolarHBondContact CA-O 3.41Å; Q118-N205 WeakPolarHBondContact CG-OD1 3.36Å; Q118-N205 PolarHBondContact NE2-OD1 3.39Å
119	N	98.1	Very high	87.3	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.016	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.4	168.5	-72.5	-10	0	0	0	110.2	W137 H167 C204 Y206	N119-W137 HydrophobicContact CB-CD2 3.77Å; N119-W137 HydrophobicContact CB-CE3 3.77Å; N119-W137 HydrophobicContact CB-CH2 3.65Å; N119-W137 HydrophobicContact CB-CZ2 3.63Å; N119-W137 HydrophobicContact CB-CZ3 3.71Å; N119-H167 PolarHBondContact ND2-O 3.12Å; N119-H167 VanDerWaalsContact ND2-O 3.13Å; N119-C204 PolarHBondContact N-O 3.41Å; N119-C204 PolarHBondContact O-N 3.05Å; N119-Y206 HydrophobicContact CB-CE2 3.89Å; N119-Y206 PolarHBondContact ND2-OH 3.35Å
120	L	96.6	Very high	87.5	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139	-177.3	-60	-176.1	0	0	0	109.9	W105 E106 Q118 W137 Y201 L202 V203	W105-L120 HydrophobicContact CH2-CB 4.11Å; W105-L120 HydrophobicContact CZ3-CB 4.08Å; E106-L120 WeakPolarHBondContact O-CD1 3.22Å; Q118-L120 HydrophobicContact CG-CD2 3.86Å; Q118-L120 HydrophobicContact CG-CG 4.45Å; L120-W137 VanDerWaalsContact C-CZ2 3.46Å; L120-W137 PolarHBondContact O-NE1 3.34Å; L120-Y201 HydrophobicContact CB-CE2 4.16Å; L120-Y201 HydrophobicContact CD1-CE2 4.46Å; L120-Y201 WeakPolarHBondContact CD1-OH 3.49Å; L120-Y201 HydrophobicContact CD2-CE2 3.99Å; L120-Y201 WeakPolarHBondContact CD2-OH 3.32Å; L120-Y201 HydrophobicContact CG-CE2 4.42Å; L120-L202 WeakPolarHBondContact CA-O 3.27Å; L120-V203 HydrophobicContact CD2-CB 4.21Å; L120-V203 HydrophobicContact CD2-CG1 3.93Å; L120-V203 HydrophobicContact CD2-CG2 3.87Å
121	G	95.1	Very high	88.5	Confident	4 Å²	4	57.6 Å²	57.6	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.5	178.4	0	0	0	0	0	109.5	Y201 L202	G121-Y201 WeakPolarHBondContact O-CD2 2.99Å; G121-L202 PolarHBondContact N-O 3.08Å; G121-L202 PolarHBondContact O-N 3.23Å
122	A	93.9	Very high	89.5	Confident	21 Å²	21	57.1 Å²	57.1	17%	0.174	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.7	174.9	0	0	0	0	0	110.6	W105 I191 V200 Y201	W105-A122 HydrophobicContact CE3-CB 3.82Å; W105-A122 HydrophobicContact CH2-CB 3.84Å; W105-A122 HydrophobicContact CZ3-CB 3.3Å; A122-I191 HydrophobicContact CB-CD1 3.72Å; A122-V200 VanDerWaalsContact CA-O 3.3Å; A122-V200 WeakPolarHBondContact CA-O 3.41Å; A122-Y201 HydrophobicContact CB-CD2 4.49Å
123	H	91.8	Very high	90.2	Very high	19 Å²	19	54.9 Å²	54.9	9%	0.088	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	162.4	169.4	69.4	-68.2	0	0	0	109.9	R126 R128 H133 A199 V200	H123-R126 PolarHBondContact CD2-O 3.38Å; H123-R128 PolarHBondContact NE2-N 2.65Å; H123-H133 AromaticContact CE1-NE2 3.7Å; H123-H133 AromaticContact CG-NE2 3.85Å; H123-H133 AromaticContact ND1-CE1 3.6Å; H123-H133 AromaticContact ND1-NE2 3.01Å; H123-H133 PolarHBondContact ND1-NE2 3.23Å; H123-A199 CarbonylContact O-C 3.46Å; H123-A199 WeakPolarHBondContact O-CA 3.32Å; H123-V200 WeakPolarHBondContact CE1-CB 3.29Å; H123-V200 VanDerWaalsContact CE1-CG1 3.46Å; H123-V200 WeakPolarHBondContact CE1-CG1 3.46Å; H123-V200 PolarHBondContact N-O 2.04Å; H123-V200 PolarHBondContact O-N 2.8Å
124	W	89.5	Confident	91.1	Very high	136 Å²	136	52.8 Å²	52.8	52%	0.515	27%	0.268	S	S	.	.			trans	-138.9	160	174.2	70.2	-59.8	0	0	0	109	W196 P197	W124-W196 HydrophobicContact CB-CB 4.37Å; W124-W196 HydrophobicContact CB-CE3 4.08Å; W124-W196 AromaticContact CD1-CD2 3.5Å; W124-W196 AromaticContact CD1-CE3 3.24Å; W124-W196 AromaticContact CD1-CZ3 3.6Å; W124-W196 HydrophobicContact CG-CB 4.3Å; W124-W196 HydrophobicContact CG-CD2 4.03Å; W124-W196 AromaticContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CG 4.26Å; W124-W196 AromaticContact NE1-CD2 3.85Å; W124-W196 AromaticContact NE1-CE2 3.98Å; W124-P197 HydrophobicContact CE3-CG 3.85Å; W124-P197 HydrophobicContact CZ3-CG 3.84Å
125	G	86.8	Confident	92.1	Very high	71 Å²	71	51.7 Å²	51.7	73%	0.732	26%	0.255	S	S	*	.	S	Bend	trans	86.4	-120.2	-177.2	0	0	0	0	0	113
126	R	85.1	Confident	92.7	Very high	216 Å²	216	50.7 Å²	50.7	82%	0.815	25%	0.251	S	S	*	.	S	Bend	trans	-63.3	143.5	-173.2	-66.3	-174.5	-177	-173.4	1.7	111.4	H123 R128	H123-R126 PolarHBondContact CD2-O 3.38Å; R126-R128 PolarHBondContact O-N 2.79Å
127	Y	85.1	Confident	93	Very high	151 Å²	151	50.5 Å²	50.5	59%	0.592	25%	0.249	S	C	*	.			trans	-55.3	129.2	174	179.8	-89.7	0	0	0	111.1	R55 P129	R55-Y127 PolarHBondContact NH2-OH 3.06Å; Y127-P129 HydrophobicContact CE1-CB 4.49Å
128	R	88.7	Confident	93.3	Very high	110 Å²	110	51.7 Å²	51.7	42%	0.415	25%	0.253	S	S	.	.			trans	-122.8	140	164.7	-57.1	-67.2	-173.6	155.7	2.8	109.2	R55 H123 R126 F132	R55-R128 PolarHBondContact NH2-O 3.4Å; H123-R128 PolarHBondContact NE2-N 2.65Å; R126-R128 PolarHBondContact O-N 2.79Å; R128-F132 HydrophobicContact CB-CB 3.88Å; R128-F132 HydrophobicContact CB-CD1 3.94Å; R128-F132 HydrophobicContact CB-CG 3.88Å; R128-F132 HydrophobicContact CG-CD1 3.94Å; R128-F132 HydrophobicContact CG-CD2 4.42Å; R128-F132 HydrophobicContact CG-CE1 4.23Å; R128-F132 HydrophobicContact CG-CG 4.05Å
129	P	89.8	Confident	93.3	Very high	52 Å²	52	54.5 Å²	54.5	34%	0.338	27%	0.268	S	S	.	.			trans	-68.2	158.1	169.7	30.8	-34.9	0	0	0	110.2	Y127 T131 F132	Y127-P129 HydrophobicContact CE1-CB 4.49Å; P129-T131 PolarHBondContact O-N 3.18Å; P129-F132 HydrophobicContact CG-CB 4.47Å; P129-F132 WeakPolarHBondContact O-CB 3.29Å; P129-F132 PolarHBondContact O-N 3.39Å
130	P	89.8	Confident	93.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.6	178.1	-18.7	26.6	0	0	0	113.1	D61 I65 F132 H133 I183 L202	D61-P130 HydrophobicContact CB-CG 3.94Å; D61-P130 VanDerWaalsContact OD1-CD 3.28Å; D61-P130 WeakPolarHBondContact OD1-CD 3.3Å; D61-P130 WeakPolarHBondContact OD1-CG 3.26Å; I65-P130 HydrophobicContact CD1-CB 3.63Å; I65-P130 HydrophobicContact CD1-CG 4.3Å; I65-P130 HydrophobicContact CG1-CB 3.85Å; P130-F132 PolarHBondContact O-N 3.11Å; P130-F132 VanDerWaalsContact O-N 3.12Å; P130-H133 PolarHBondContact O-N 3.35Å; P130-I183 HydrophobicContact CB-CD1 3.89Å; P130-I183 HydrophobicContact CG-CD1 3.59Å; P130-L202 HydrophobicContact CB-CD1 4.5Å
131	T	93.6	Very high	93.3	Very high	36 Å²	36	57.2 Å²	57.2	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-23.8	176.7	50.3	0	0	0	0	113.6	L68 P129 H133 V134 Q135	L68-T131 HydrophobicContact CD2-CG2 3.9Å; P129-T131 PolarHBondContact O-N 3.18Å; T131-H133 VanDerWaalsContact C-N 3.33Å; T131-H133 PolarHBondContact O-N 3.23Å; T131-V134 PolarHBondContact O-N 3.4Å; T131-Q135 PolarHBondContact O-N 3.1Å
132	F	94.9	Very high	93.4	Very high	79 Å²	79	67.2 Å²	67.2	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-42.8	173.4	176.1	-97.7	0	0	0	112.2	R128 P129 P130 A136	R128-F132 HydrophobicContact CB-CB 3.88Å; R128-F132 HydrophobicContact CB-CD1 3.94Å; R128-F132 HydrophobicContact CB-CG 3.88Å; R128-F132 HydrophobicContact CG-CD1 3.94Å; R128-F132 HydrophobicContact CG-CD2 4.42Å; R128-F132 HydrophobicContact CG-CE1 4.23Å; R128-F132 HydrophobicContact CG-CG 4.05Å; P129-F132 HydrophobicContact CG-CB 4.47Å; P129-F132 WeakPolarHBondContact O-CB 3.29Å; P129-F132 PolarHBondContact O-N 3.39Å; P130-F132 PolarHBondContact O-N 3.11Å; P130-F132 VanDerWaalsContact O-N 3.12Å; F132-A136 WeakPolarHBondContact O-CB 3.05Å; F132-A136 PolarHBondContact O-N 2.79Å
133	H	95.6	Very high	93.4	Very high	11 Å²	11	69 Å²	69	5%	0.051	33%	0.327	C	S	.	.	H	α-helix	trans	-72.8	-37.9	178.9	-66.8	-68.2	0	0	0	111.5	H123 P130 T131 Q135 A136 W137 L202	H123-H133 AromaticContact CE1-NE2 3.7Å; H123-H133 AromaticContact CG-NE2 3.85Å; H123-H133 AromaticContact ND1-CE1 3.6Å; H123-H133 AromaticContact ND1-NE2 3.01Å; H123-H133 PolarHBondContact ND1-NE2 3.23Å; P130-H133 PolarHBondContact O-N 3.35Å; T131-H133 VanDerWaalsContact C-N 3.33Å; T131-H133 PolarHBondContact O-N 3.23Å; H133-Q135 VanDerWaalsContact C-N 3.32Å; H133-Q135 PolarHBondContact O-N 2.97Å; H133-A136 PolarHBondContact O-N 3.08Å; H133-W137 HydrophobicContact CB-CZ2 4.23Å; H133-W137 PolarHBondContact O-N 3.07Å; H133-L202 HydrophobicContact CB-CD2 3.54Å
134	V	97.2	Very high	93.6	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-45	175.1	-179.5	0	0	0	0	110.7	I65 L68 H69 L72 T131 W137 Y138	I65-V134 HydrophobicContact CG2-CG2 4.26Å; L68-V134 HydrophobicContact CD2-CB 3.82Å; L68-V134 HydrophobicContact CD2-CG1 3.78Å; L68-V134 HydrophobicContact CG-CG1 3.92Å; H69-V134 VanDerWaalsContact CE1-CG1 3.44Å; H69-V134 WeakPolarHBondContact CE1-CG1 3.45Å; L72-V134 HydrophobicContact CD1-CG1 4.22Å; T131-V134 PolarHBondContact O-N 3.4Å; V134-W137 HydrophobicContact CG2-CE3 4.38Å; V134-W137 HydrophobicContact CG2-CZ3 4.17Å; V134-W137 PolarHBondContact O-N 2Å; V134-Y138 PolarHBondContact O-N 3.4Å
135	Q	97.6	Very high	93.9	Very high	67 Å²	67	66.1 Å²	66.1	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-44.1	174.8	-170.9	61.5	54.5	0	0	111.6	T131 H133 W137 Y138 D139	T131-Q135 PolarHBondContact O-N 3.1Å; H133-Q135 VanDerWaalsContact C-N 3.32Å; H133-Q135 PolarHBondContact O-N 2.97Å; Q135-W137 VanDerWaalsContact C-N 3.31Å; Q135-W137 PolarHBondContact O-N 3.32Å; Q135-Y138 CarbonylContact O-C 3.52Å; Q135-Y138 WeakPolarHBondContact O-CB 3.39Å; Q135-Y138 PolarHBondContact O-N 3.23Å; Q135-D139 PolarHBondContact NE2-OD1 3.14Å; Q135-D139 PolarHBondContact O-N 3.09Å
136	A	96.4	Very high	94.3	Very high	46 Å²	46	63.6 Å²	63.6	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-37.8	177.7	0	0	0	0	0	112.7	F132 H133	F132-A136 WeakPolarHBondContact O-CB 3.05Å; F132-A136 PolarHBondContact O-N 2.79Å; H133-A136 PolarHBondContact O-N 3.08Å
137	W	98.3	Very high	94.6	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.038	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-40.4	172	-64.3	-27	0	0	0	111.8	N119 L120 H133 V134 Q135 E140 H167 Y168 V171 L202 C204	N119-W137 HydrophobicContact CB-CD2 3.77Å; N119-W137 HydrophobicContact CB-CE3 3.77Å; N119-W137 HydrophobicContact CB-CH2 3.65Å; N119-W137 HydrophobicContact CB-CZ2 3.63Å; N119-W137 HydrophobicContact CB-CZ3 3.71Å; L120-W137 VanDerWaalsContact C-CZ2 3.46Å; L120-W137 PolarHBondContact O-NE1 3.34Å; H133-W137 HydrophobicContact CB-CZ2 4.23Å; H133-W137 PolarHBondContact O-N 3.07Å; V134-W137 HydrophobicContact CG2-CE3 4.38Å; V134-W137 HydrophobicContact CG2-CZ3 4.17Å; V134-W137 PolarHBondContact O-N 2Å; Q135-W137 VanDerWaalsContact C-N 3.31Å; Q135-W137 PolarHBondContact O-N 3.32Å; W137-E140 WeakPolarHBondContact O-CG 3.34Å; W137-H167 HydrophobicContact CB-CB 3.59Å; W137-H167 AromaticContact CD1-CG 3.65Å; W137-H167 HydrophobicContact CD2-CB 4.49Å; W137-H167 HydrophobicContact CG-CB 3.6Å; W137-Y168 VanDerWaalsContact O-CA 3.24Å; W137-Y168 WeakPolarHBondContact O-CA 3.33Å; W137-Y168 VanDerWaalsContact O-CB 3.29Å; W137-Y168 WeakPolarHBondContact O-CB 3.42Å; W137-Y168 PolarHBondContact O-N 3.41Å; W137-Y168 VanDerWaalsContact O-N 3.15Å; W137-V171 HydrophobicContact CB-CG2 4.19Å; W137-V171 HydrophobicContact CE3-CG2 4.34Å; W137-L202 HydrophobicContact CH2-CD2 3.68Å; W137-L202 HydrophobicContact CH2-CG 4.19Å; W137-L202 HydrophobicContact CZ2-CD2 4.12Å; W137-L202 HydrophobicContact CZ3-CD2 4.43Å; W137-C204 HydrophobicContact CH2-CB 3.76Å; W137-C204 HydrophobicContact CZ3-CB 3.87Å
138	Y	98.2	Very high	94.7	Very high	27 Å²	27	50.9 Å²	50.9	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-36.4	178.4	-174	-92.2	0	0	0	112.7	L72 V134 Q135 E140 V141 Y168 V171 V172	L72-Y138 HydrophobicContact CB-CD2 3.68Å; L72-Y138 HydrophobicContact CB-CE2 3.67Å; L72-Y138 HydrophobicContact CB-CG 4.33Å; L72-Y138 HydrophobicContact CD1-CD2 3.89Å; L72-Y138 HydrophobicContact CD1-CG 3.8Å; L72-Y138 HydrophobicContact CD2-CD1 3.73Å; L72-Y138 HydrophobicContact CD2-CD2 3.99Å; L72-Y138 HydrophobicContact CD2-CE1 3.81Å; L72-Y138 HydrophobicContact CD2-CE2 4.06Å; L72-Y138 HydrophobicContact CD2-CG 3.81Å; L72-Y138 HydrophobicContact CG-CD2 4.05Å; L72-Y138 HydrophobicContact CG-CE2 4.31Å; L72-Y138 HydrophobicContact CG-CG 4.19Å; V134-Y138 PolarHBondContact O-N 3.4Å; Q135-Y138 CarbonylContact O-C 3.52Å; Q135-Y138 WeakPolarHBondContact O-CB 3.39Å; Q135-Y138 PolarHBondContact O-N 3.23Å; Y138-E140 PolarHBondContact O-N 3.16Å; Y138-V141 HydrophobicContact CD1-CG1 4.31Å; Y138-V141 HydrophobicContact CE1-CG1 4.11Å; Y138-V141 VanDerWaalsContact O-CB 3.28Å; Y138-V141 WeakPolarHBondContact O-CB 3.47Å; Y138-V141 VanDerWaalsContact O-CG1 3.25Å; Y138-V141 WeakPolarHBondContact O-CG1 3.28Å; Y138-V141 PolarHBondContact O-N 3.42Å; Y138-Y168 AromaticContact CD2-CD2 3.89Å; Y138-Y168 HydrophobicContact CD2-CD2 3.89Å; Y138-Y168 AromaticContact CD2-CE2 3.91Å; Y138-Y168 HydrophobicContact CD2-CE2 3.91Å; Y138-Y168 HydrophobicContact CE2-CD2 4.18Å; Y138-Y168 AromaticContact CE2-CE2 3.7Å; Y138-Y168 HydrophobicContact CE2-CE2 3.7Å; Y138-Y168 HydrophobicContact CG-CD2 4.33Å; Y138-Y168 WeakPolarHBondContact O-CD2 3.24Å; Y138-V171 HydrophobicContact CD2-CG1 4.29Å; Y138-V172 HydrophobicContact CD2-CG1 4.16Å; Y138-V172 HydrophobicContact CE2-CG1 3.84Å
139	D	97.7	Very high	94.6	Very high	73 Å²	73	49.7 Å²	49.7	39%	0.39	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-62.6	-15.3	-178	-70.7	-14.5	0	0	0	113.2	Q135 V141 R142	Q135-D139 PolarHBondContact NE2-OD1 3.14Å; Q135-D139 PolarHBondContact O-N 3.09Å; D139-V141 PolarHBondContact O-N 3.48Å; D139-V141 VanDerWaalsContact O-N 3.11Å; D139-R142 WeakPolarHBondContact O-CB 3.49Å; D139-R142 VanDerWaalsContact O-CG 3.29Å; D139-R142 WeakPolarHBondContact O-CG 3.45Å; D139-R142 PolarHBondContact O-N 3.4Å; D139-R142 VanDerWaalsContact O-N 3.14Å
140	E	97.1	Very high	94.4	Very high	26 Å²	26	54.6 Å²	54.6	12%	0.121	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.3	-15.1	168.3	-51.8	179	159.8	0	0	112.6	W137 Y138 R142 D143 F144 V164 C165 T166 H167 Y168	W137-E140 WeakPolarHBondContact O-CG 3.34Å; Y138-E140 PolarHBondContact O-N 3.16Å; E140-R142 PolarHBondContact O-N 3.11Å; E140-R142 VanDerWaalsContact O-N 3.09Å; E140-D143 PolarHBondContact O-N 3.4Å; E140-F144 PolarHBondContact O-N 2.69Å; E140-F144 VanDerWaalsContact O-N 3.16Å; E140-V164 VanDerWaalsContact CD-O 3.31Å; E140-V164 WeakPolarHBondContact CG-O 3.39Å; E140-V164 WeakPolarHBondContact OE1-CG1 3.42Å; E140-C165 HydrophobicContact CB-CB 4.48Å; E140-C165 WeakPolarHBondContact OE2-CA 3.48Å; E140-T166 PolarHBondContact OE2-N 3.08Å; E140-H167 IonicContact OE1-CE1 3.32Å; E140-H167 IonicContact OE1-CG 3.31Å; E140-H167 IonicContact OE1-ND1 2.59Å; E140-H167 PolarHBondContact OE1-ND1 2.75Å; E140-H167 WeakPolarHBondContact OE2-CA 3.28Å; E140-H167 WeakPolarHBondContact OE2-CB 3.29Å; E140-H167 IonicContact OE2-CG 2.66Å; E140-H167 PolarHBondContact OE2-N 2.91Å; E140-H167 IonicContact OE2-ND1 2.79Å; E140-Y168 PolarHBondContact OE2-N 3.5Å
141	V	97.1	Very high	94.3	Very high	45 Å²	45	57.4 Å²	57.4	27%	0.273	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-52	-29.6	170.4	69.7	0	0	0	0	112.7	Y138 D139 D143 F144 Y168	Y138-V141 HydrophobicContact CD1-CG1 4.31Å; Y138-V141 HydrophobicContact CE1-CG1 4.11Å; Y138-V141 VanDerWaalsContact O-CB 3.28Å; Y138-V141 WeakPolarHBondContact O-CB 3.47Å; Y138-V141 VanDerWaalsContact O-CG1 3.25Å; Y138-V141 WeakPolarHBondContact O-CG1 3.28Å; Y138-V141 PolarHBondContact O-N 3.42Å; D139-V141 PolarHBondContact O-N 3.48Å; D139-V141 VanDerWaalsContact O-N 3.11Å; V141-D143 PolarHBondContact O-N 2.04Å; V141-F144 PolarHBondContact O-N 2.86Å; V141-Y168 HydrophobicContact CB-CD1 4.48Å; V141-Y168 HydrophobicContact CB-CD2 3.67Å; V141-Y168 HydrophobicContact CB-CE1 4.34Å; V141-Y168 HydrophobicContact CB-CE2 3.48Å; V141-Y168 VanDerWaalsContact CB-CE2 3.48Å; V141-Y168 HydrophobicContact CB-CG 4.17Å; V141-Y168 HydrophobicContact CG2-CD2 4.26Å; V141-Y168 HydrophobicContact CG2-CE1 4.11Å; V141-Y168 HydrophobicContact CG2-CE2 3.57Å; V141-Y168 VanDerWaalsContact CG2-CZ 3.47Å
142	R	96.7	Very high	94.1	Very high	215 Å²	215	57.5 Å²	57.5	81%	0.811	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.1	178.2	-63.8	174	66.5	-177.8	0.7	112.8	D139 E140	D139-R142 WeakPolarHBondContact O-CB 3.49Å; D139-R142 VanDerWaalsContact O-CG 3.29Å; D139-R142 WeakPolarHBondContact O-CG 3.45Å; D139-R142 PolarHBondContact O-N 3.4Å; D139-R142 VanDerWaalsContact O-N 3.14Å; E140-R142 PolarHBondContact O-N 3.11Å; E140-R142 VanDerWaalsContact O-N 3.09Å
143	D	95.1	Very high	93.3	Very high	57 Å²	57	60.8 Å²	60.8	31%	0.305	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-8.4	-179.2	-76.9	-46.2	0	0	0	112.9	E140 V141 C160 S161 G162	E140-D143 PolarHBondContact O-N 3.4Å; V141-D143 PolarHBondContact O-N 2.04Å; D143-C160 CarbonylContact O-C 3.55Å; D143-C160 WeakPolarHBondContact O-CA 3.22Å; D143-S161 VanDerWaalsContact CA-OG 3.32Å; D143-S161 WeakPolarHBondContact CA-OG 3.14Å; D143-S161 PolarHBondContact O-N 3.02Å; D143-S161 PolarHBondContact O-OG 3.18Å; D143-S161 VanDerWaalsContact O-OG 3.1Å; D143-S161 PolarHBondContact OD1-OG 3.15Å; D143-S161 VanDerWaalsContact OD1-OG 3.07Å; D143-G162 VanDerWaalsContact CG-CA 3.45Å
144	F	95.9	Very high	92.5	Very high	21 Å²	21	65.3 Å²	65.3	9%	0.092	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.8	-179.8	178.6	-101	0	0	0	111	E140 V141 Y146 Y158 C165 Y168 T169 P217	E140-F144 PolarHBondContact O-N 2.69Å; E140-F144 VanDerWaalsContact O-N 3.16Å; V141-F144 PolarHBondContact O-N 2.86Å; F144-Y146 HydrophobicContact CE1-CD2 4.29Å; F144-Y158 HydrophobicContact CE2-CD2 4.46Å; F144-Y158 HydrophobicContact CE2-CE2 4.22Å; F144-C165 HydrophobicContact CB-CB 4.08Å; F144-C165 HydrophobicContact CD2-CB 4.16Å; F144-Y168 HydrophobicContact CB-CD1 3.97Å; F144-Y168 HydrophobicContact CB-CE1 4.18Å; F144-Y168 AromaticContact CD1-CD1 3.88Å; F144-Y168 HydrophobicContact CD1-CD1 3.88Å; F144-Y168 AromaticContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD2-CD1 4.49Å; F144-Y168 HydrophobicContact CE1-CD1 4.5Å; F144-Y168 AromaticContact CE1-CE1 3.83Å; F144-Y168 HydrophobicContact CE1-CE1 3.83Å; F144-Y168 AromaticContact CG-CD1 3.85Å; F144-Y168 HydrophobicContact CG-CD1 3.85Å; F144-Y168 AromaticContact CG-CE1 3.83Å; F144-Y168 HydrophobicContact CG-CE1 3.83Å; F144-T169 HydrophobicContact CD2-CG2 3.76Å; F144-T169 HydrophobicContact CE1-CG2 4.42Å; F144-T169 HydrophobicContact CE2-CG2 3.4Å; F144-T169 VanDerWaalsContact CE2-CG2 3.4Å; F144-T169 HydrophobicContact CG-CG2 4.4Å; F144-T169 HydrophobicContact CZ-CG2 3.77Å; F144-P217 HydrophobicContact CE1-CG 4.45Å; F144-P217 HydrophobicContact CZ-CG 4.21Å
145	T	95.4	Very high	92.1	Very high	74 Å²	74	72.4 Å²	72.4	45%	0.454	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.7	170.4	-56.6	0	0	0	0	109.8	K159	T145-K159 HydrophobicContact CG2-CD 4.08Å; T145-K159 PolarHBondContact N-O 3.34Å; T145-K159 VanDerWaalsContact N-O 3.09Å
146	Y	94.9	Very high	91.6	Very high	18 Å²	18	70.3 Å²	70.3	7%	0.071	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-65.7	129.5	179.4	-173.5	-85.7	0	0	0	111.3	P78 F144 H148 A216 P217 Y218 P220	P78-Y146 VanDerWaalsContact CD-CG 3.46Å; P78-Y146 HydrophobicContact CG-CD1 3.5Å; P78-Y146 VanDerWaalsContact CG-CD1 3.5Å; P78-Y146 HydrophobicContact CG-CD2 4.03Å; P78-Y146 HydrophobicContact CG-CE1 3.76Å; P78-Y146 HydrophobicContact CG-CE2 4.28Å; P78-Y146 HydrophobicContact CG-CG 3.65Å; F144-Y146 HydrophobicContact CE1-CD2 4.29Å; Y146-H148 PolarHBondContact O-N 2.05Å; Y146-A216 HydrophobicContact CE2-CB 4.45Å; Y146-P217 HydrophobicContact CD2-CG 4.36Å; Y146-P217 HydrophobicContact CE2-CG 4.17Å; Y146-Y218 HydrophobicContact CD2-CE1 4.17Å; Y146-Y218 AromaticContact CD2-CE2 3.98Å; Y146-Y218 HydrophobicContact CD2-CE2 3.98Å; Y146-Y218 AromaticContact CD2-CZ 3.68Å; Y146-Y218 HydrophobicContact CE2-CD1 4.29Å; Y146-Y218 AromaticContact CE2-CD2 3.76Å; Y146-Y218 HydrophobicContact CE2-CD2 3.76Å; Y146-Y218 AromaticContact CE2-CE1 3.94Å; Y146-Y218 HydrophobicContact CE2-CE1 3.94Å; Y146-Y218 AromaticContact CE2-CE2 3.37Å; Y146-Y218 HydrophobicContact CE2-CE2 3.37Å; Y146-Y218 HydrophobicContact CE2-CG 4.22Å; Y146-Y218 AromaticContact CE2-CZ 3.48Å; Y146-Y218 VanDerWaalsContact CE2-CZ 3.48Å; Y146-Y218 AromaticContact CZ-CE2 3.97Å; Y146-Y218 PolarHBondContact OH-O 2.93Å; Y146-P220 HydrophobicContact CE1-CB 4.1Å; Y146-P220 HydrophobicContact CE1-CG 4.04Å; Y146-P220 WeakPolarHBondContact OH-CD 3.13Å
147	P	92.4	Very high	91.3	Very high	5 Å²	5	70.5 Å²	70.5	3%	0.032	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-74.8	119.3	178.1	29.6	-33	0	0	0	110.5	C156 P157 A216	P147-C156 HydrophobicContact CB-CB 4.01Å; P147-C156 HydrophobicContact CG-CB 3.98Å; P147-P157 HydrophobicContact CB-CG 4.29Å; P147-A216 HydrophobicContact CG-CB 3.88Å
148	H	86.3	Confident	90.8	Very high	95 Å²	95	74.5 Å²	74.5	44%	0.44	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-69.8	151.7	177.3	-70.5	-71.9	0	0	0	111.6	Y146 H150 E151	Y146-H148 PolarHBondContact O-N 2.05Å; H148-H150 WeakPolarHBondContact CB-CE1 3.37Å; H148-H150 WeakPolarHBondContact CB-ND1 3.42Å; H148-H150 AromaticContact CG-CE1 3.83Å; H148-H150 PolarHBondContact O-N 2.98Å; H148-H150 VanDerWaalsContact O-N 3.08Å; H148-E151 HydrophobicContact CB-CG 4.38Å; H148-E151 IonicContact CD2-OE1 3.74Å; H148-E151 WeakPolarHBondContact O-CB 3.46Å; H148-E151 PolarHBondContact O-N 3.48Å
149	P	85.9	Confident	90.5	Very high	85 Å²	85	76.8 Å²	76.8	55%	0.552	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-54.1	-33.8	-176.7	-29.4	35.8	0	0	0	114.9	E151 C152 P220	P149-E151 PolarHBondContact O-N 3.06Å; P149-C152 PolarHBondContact O-N 2.03Å; P149-P220 HydrophobicContact CG-CG 3.81Å
150	H	87.4	Confident	90.4	Very high	156 Å²	156	75.3 Å²	75.3	72%	0.722	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-70.3	-17.6	178.7	63.3	-93.6	0	0	0	113.6	H148	H148-H150 WeakPolarHBondContact CB-CE1 3.37Å; H148-H150 WeakPolarHBondContact CB-ND1 3.42Å; H148-H150 AromaticContact CG-CE1 3.83Å; H148-H150 PolarHBondContact O-N 2.98Å; H148-H150 VanDerWaalsContact O-N 3.08Å
151	E	87.7	Confident	90.2	Very high	60 Å²	60	78.5 Å²	78.5	28%	0.28	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-88.8	-11.5	176.4	-53.9	-172.7	-133	0	0	112.5	H148 P149 N153 P157 K159	H148-E151 HydrophobicContact CB-CG 4.38Å; H148-E151 IonicContact CD2-OE1 3.74Å; H148-E151 WeakPolarHBondContact O-CB 3.46Å; H148-E151 PolarHBondContact O-N 3.48Å; P149-E151 PolarHBondContact O-N 3.06Å; E151-N153 PolarHBondContact O-N 3.06Å; E151-P157 HydrophobicContact CB-CG 4.05Å; E151-P157 WeakPolarHBondContact O-CD 3.39Å; E151-K159 IonicContact OE1-NZ 3.67Å; E151-K159 PolarHBondContact OE1-NZ 3.29Å; E151-K159 VanDerWaalsContact OE1-NZ 3.1Å; E151-K159 WeakPolarHBondContact OE2-CE 3.42Å; E151-K159 IonicContact OE2-NZ 3.63Å; E151-K159 PolarHBondContact OE2-NZ 3.1Å
152	C	87.9	Confident	89.8	Confident	38 Å²	38	77.2 Å²	77.2	26%	0.257	40%	0.399	S	S	.	.			trans	-92	96.3	-178.3	-62.4	0	0	0	0	110.7	P149 C156	P149-C152 PolarHBondContact O-N 2.03Å; C152-C156 HydrophobicContact CB-CB 4.1Å; C152-C156 WeakPolarHBondContact CB-SG 3.02Å; C152-C156 VanDerWaalsContact SG-CA 3.58Å; C152-C156 WeakPolarHBondContact SG-CB 3.25Å; C152-C156 CovalentContact SG-SG 2.04Å; C152-C156 PolarHBondContact SG-SG 2.89Å
153	N	79.3	Confident	89.2	Confident	147 Å²	147	73.2 Å²	73.2	79%	0.786	40%	0.401	S	S	*	.	S	Bend	trans	-155.6	110.5	175.3	-176.3	14.9	0	0	0	112.8	E151 Y155	E151-N153 PolarHBondContact O-N 3.06Å; N153-Y155 PolarHBondContact N-O 3.23Å
154	P	79.1	Confident	88.8	Confident	107 Å²	107	73.1 Å²	73.1	70%	0.695	40%	0.402	S	S	*	.	S	Bend	cis	-75.1	-7.6	-19.2	32.5	-33.6	0	0	0	112.4
155	Y	87.9	Confident	88.8	Confident	148 Å²	148	72.1 Å²	72.1	58%	0.58	40%	0.398	S	S	*	.	S	Bend	trans	-116.9	148.3	-178.4	-58.1	-65.8	0	0	0	110.5	N153 G214	N153-Y155 PolarHBondContact N-O 3.23Å; Y155-G214 CarbonylContact C-O 3.55Å; Y155-G214 WeakPolarHBondContact CA-O 3.41Å
156	C	87.5	Confident	88.6	Confident	23 Å²	23	71.4 Å²	71.4	16%	0.155	39%	0.394	C	S	.	.			trans	-82	136.8	173.5	-60.8	0	0	0	0	111.5	P147 C152 G214	P147-C156 HydrophobicContact CB-CB 4.01Å; P147-C156 HydrophobicContact CG-CB 3.98Å; C152-C156 HydrophobicContact CB-CB 4.1Å; C152-C156 WeakPolarHBondContact CB-SG 3.02Å; C152-C156 VanDerWaalsContact SG-CA 3.58Å; C152-C156 WeakPolarHBondContact SG-CB 3.25Å; C152-C156 CovalentContact SG-SG 2.04Å; C152-C156 PolarHBondContact SG-SG 2.89Å; C156-G214 PolarHBondContact N-O 3.38Å
157	P	90.1	Very high	88.7	Confident	50 Å²	50	72.1 Å²	72.1	33%	0.325	40%	0.398	S	S	.	.			trans	-68.1	139.3	173.4	28.3	-34.1	0	0	0	111	P147 E151	P147-P157 HydrophobicContact CB-CG 4.29Å; E151-P157 HydrophobicContact CB-CG 4.05Å; E151-P157 WeakPolarHBondContact O-CD 3.39Å
158	Y	88.1	Confident	89	Confident	95 Å²	95	72 Å²	72	37%	0.373	40%	0.396	S	S	.	.			trans	-91.1	115.1	170.5	-177.8	-100.3	0	0	0	109.8	F144 C160 C165 T166 T169	F144-Y158 HydrophobicContact CE2-CD2 4.46Å; F144-Y158 HydrophobicContact CE2-CE2 4.22Å; Y158-C160 HydrophobicContact CD1-CB 4.35Å; Y158-C160 HydrophobicContact CE1-CB 3.6Å; Y158-C165 VanDerWaalsContact OH-C 3.31Å; Y158-C165 WeakPolarHBondContact OH-CB 3.26Å; Y158-T166 WeakPolarHBondContact OH-CG2 3.07Å; Y158-T166 PolarHBondContact OH-N 2.77Å; Y158-T169 HydrophobicContact CE2-CG2 4.39Å
159	K	92.1	Very high	89.5	Confident	74 Å²	74	67.6 Å²	67.6	32%	0.322	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111	-178.9	-63.7	-179.9	-173	174.4	0	110.3	T145 E151	T145-K159 HydrophobicContact CG2-CD 4.08Å; T145-K159 PolarHBondContact N-O 3.34Å; T145-K159 VanDerWaalsContact N-O 3.09Å; E151-K159 IonicContact OE1-NZ 3.67Å; E151-K159 PolarHBondContact OE1-NZ 3.29Å; E151-K159 VanDerWaalsContact OE1-NZ 3.1Å; E151-K159 WeakPolarHBondContact OE2-CE 3.42Å; E151-K159 IonicContact OE2-NZ 3.63Å; E151-K159 PolarHBondContact OE2-NZ 3.1Å
160	C	93.7	Very high	90.1	Very high	42 Å²	42	63.7 Å²	63.7	28%	0.284	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.2	176.1	-179.6	0	0	0	0	108.4	D143 Y158 G162 C165	D143-C160 CarbonylContact O-C 3.55Å; D143-C160 WeakPolarHBondContact O-CA 3.22Å; Y158-C160 HydrophobicContact CD1-CB 4.35Å; Y158-C160 HydrophobicContact CE1-CB 3.6Å; C160-G162 PolarHBondContact SG-O 2.78Å; C160-C165 HydrophobicContact CB-CB 3.78Å; C160-C165 WeakPolarHBondContact CB-SG 3.44Å; C160-C165 WeakPolarHBondContact SG-CB 3.36Å; C160-C165 PolarHBondContact SG-N 3.35Å; C160-C165 VanDerWaalsContact SG-N 3.35Å; C160-C165 CovalentContact SG-SG 2.04Å; C160-C165 PolarHBondContact SG-SG 2.84Å
161	S	94.8	Very high	90.6	Very high	93 Å²	93	56.3 Å²	56.3	65%	0.65	32%	0.316	S	S	*	.			trans	-84.2	-21.6	175.5	51.6	0	0	0	0	112.9	D143	D143-S161 VanDerWaalsContact CA-OG 3.32Å; D143-S161 WeakPolarHBondContact CA-OG 3.14Å; D143-S161 PolarHBondContact O-N 3.02Å; D143-S161 PolarHBondContact O-OG 3.18Å; D143-S161 VanDerWaalsContact O-OG 3.1Å; D143-S161 PolarHBondContact OD1-OG 3.15Å; D143-S161 VanDerWaalsContact OD1-OG 3.07Å
162	G	87.8	Confident	91.1	Very high	19 Å²	19	53.4 Å²	53.4	20%	0.196	30%	0.303	C	S	.	.	S	Bend	trans	-87.5	177.7	-177.2	0	0	0	0	0	113.6	D143 C160 V164	D143-G162 VanDerWaalsContact CG-CA 3.45Å; C160-G162 PolarHBondContact SG-O 2.78Å; G162-V164 VanDerWaalsContact C-N 3.29Å; G162-V164 PolarHBondContact O-N 2.86Å
163	P	83.1	Confident	91.6	Very high	131 Å²	131	52.4 Å²	52.4	85%	0.851	29%	0.294	S	S	*	.	S	Bend	trans	-66.5	-31.9	178	27.3	-33.9	0	0	0	112.5
164	V	88.6	Confident	92.5	Very high	55 Å²	55	45.5 Å²	45.5	33%	0.333	26%	0.257	S	S	.	.			trans	-150.5	135.5	-179.7	-174.1	0	0	0	0	109.2	E140 G162 T166 H167	E140-V164 VanDerWaalsContact CD-O 3.31Å; E140-V164 WeakPolarHBondContact CG-O 3.39Å; E140-V164 WeakPolarHBondContact OE1-CG1 3.42Å; G162-V164 VanDerWaalsContact C-N 3.29Å; G162-V164 PolarHBondContact O-N 2.86Å; V164-T166 WeakPolarHBondContact CG1-OG1 3.36Å; V164-H167 WeakPolarHBondContact CG1-ND1 3.15Å
165	C	94.1	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.			trans	-129.9	4.5	167.4	-50.4	0	0	0	0	112.8	E140 F144 Y158 C160 H167 T169	E140-C165 HydrophobicContact CB-CB 4.48Å; E140-C165 WeakPolarHBondContact OE2-CA 3.48Å; F144-C165 HydrophobicContact CB-CB 4.08Å; F144-C165 HydrophobicContact CD2-CB 4.16Å; Y158-C165 VanDerWaalsContact OH-C 3.31Å; Y158-C165 WeakPolarHBondContact OH-CB 3.26Å; C160-C165 HydrophobicContact CB-CB 3.78Å; C160-C165 WeakPolarHBondContact CB-SG 3.44Å; C160-C165 WeakPolarHBondContact SG-CB 3.36Å; C160-C165 PolarHBondContact SG-N 3.35Å; C160-C165 VanDerWaalsContact SG-N 3.35Å; C160-C165 CovalentContact SG-SG 2.04Å; C160-C165 PolarHBondContact SG-SG 2.84Å; C165-H167 VanDerWaalsContact C-N 3.35Å; C165-T169 PolarHBondContact O-N 3.33Å; C165-T169 PolarHBondContact O-OG1 3.42Å
166	T	93	Very high	93.8	Very high	59 Å²	59	35.9 Å²	35.9	36%	0.362	21%	0.212	S	C	.	.	H	α-helix	trans	-76.1	-22.6	-173.1	49.6	0	0	0	0	113.1	E140 Y158 V164 T169 Q170 N211	E140-T166 PolarHBondContact OE2-N 3.08Å; Y158-T166 WeakPolarHBondContact OH-CG2 3.07Å; Y158-T166 PolarHBondContact OH-N 2.77Å; V164-T166 WeakPolarHBondContact CG1-OG1 3.36Å; T166-T169 WeakPolarHBondContact CA-OG1 3.06Å; T166-T169 PolarHBondContact O-OG1 3.18Å; T166-Q170 PolarHBondContact O-N 3.47Å; T166-N211 PolarHBondContact O-ND2 3.17Å
167	H	96.9	Very high	94.1	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-43.6	176.1	-51.8	112.8	0	0	0	109.5	N119 W137 E140 V164 C165 Q170 V171	N119-H167 PolarHBondContact ND2-O 3.12Å; N119-H167 VanDerWaalsContact ND2-O 3.13Å; W137-H167 HydrophobicContact CB-CB 3.59Å; W137-H167 AromaticContact CD1-CG 3.65Å; W137-H167 HydrophobicContact CD2-CB 4.49Å; W137-H167 HydrophobicContact CG-CB 3.6Å; E140-H167 IonicContact OE1-CE1 3.32Å; E140-H167 IonicContact OE1-CG 3.31Å; E140-H167 IonicContact OE1-ND1 2.59Å; E140-H167 PolarHBondContact OE1-ND1 2.75Å; E140-H167 WeakPolarHBondContact OE2-CA 3.28Å; E140-H167 WeakPolarHBondContact OE2-CB 3.29Å; E140-H167 IonicContact OE2-CG 2.66Å; E140-H167 PolarHBondContact OE2-N 2.91Å; E140-H167 IonicContact OE2-ND1 2.79Å; V164-H167 WeakPolarHBondContact CG1-ND1 3.15Å; C165-H167 VanDerWaalsContact C-N 3.35Å; H167-Q170 PolarHBondContact O-N 3.3Å; H167-V171 WeakPolarHBondContact O-CG2 3.32Å; H167-V171 PolarHBondContact O-N 2.56Å
168	Y	98.1	Very high	94.5	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-54.9	172.3	166	-103.8	0	0	0	111.3	W137 Y138 E140 V141 F144 Q170 V171 V172	W137-Y168 VanDerWaalsContact O-CA 3.24Å; W137-Y168 WeakPolarHBondContact O-CA 3.33Å; W137-Y168 VanDerWaalsContact O-CB 3.29Å; W137-Y168 WeakPolarHBondContact O-CB 3.42Å; W137-Y168 PolarHBondContact O-N 3.41Å; W137-Y168 VanDerWaalsContact O-N 3.15Å; Y138-Y168 AromaticContact CD2-CD2 3.89Å; Y138-Y168 HydrophobicContact CD2-CD2 3.89Å; Y138-Y168 AromaticContact CD2-CE2 3.91Å; Y138-Y168 HydrophobicContact CD2-CE2 3.91Å; Y138-Y168 HydrophobicContact CE2-CD2 4.18Å; Y138-Y168 AromaticContact CE2-CE2 3.7Å; Y138-Y168 HydrophobicContact CE2-CE2 3.7Å; Y138-Y168 HydrophobicContact CG-CD2 4.33Å; Y138-Y168 WeakPolarHBondContact O-CD2 3.24Å; E140-Y168 PolarHBondContact OE2-N 3.5Å; V141-Y168 HydrophobicContact CB-CD1 4.48Å; V141-Y168 HydrophobicContact CB-CD2 3.67Å; V141-Y168 HydrophobicContact CB-CE1 4.34Å; V141-Y168 HydrophobicContact CB-CE2 3.48Å; V141-Y168 VanDerWaalsContact CB-CE2 3.48Å; V141-Y168 HydrophobicContact CB-CG 4.17Å; V141-Y168 HydrophobicContact CG2-CD2 4.26Å; V141-Y168 HydrophobicContact CG2-CE1 4.11Å; V141-Y168 HydrophobicContact CG2-CE2 3.57Å; V141-Y168 VanDerWaalsContact CG2-CZ 3.47Å; F144-Y168 HydrophobicContact CB-CD1 3.97Å; F144-Y168 HydrophobicContact CB-CE1 4.18Å; F144-Y168 AromaticContact CD1-CD1 3.88Å; F144-Y168 HydrophobicContact CD1-CD1 3.88Å; F144-Y168 AromaticContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD2-CD1 4.49Å; F144-Y168 HydrophobicContact CE1-CD1 4.5Å; F144-Y168 AromaticContact CE1-CE1 3.83Å; F144-Y168 HydrophobicContact CE1-CE1 3.83Å; F144-Y168 AromaticContact CG-CD1 3.85Å; F144-Y168 HydrophobicContact CG-CD1 3.85Å; F144-Y168 AromaticContact CG-CE1 3.83Å; F144-Y168 HydrophobicContact CG-CE1 3.83Å; Y168-Q170 PolarHBondContact O-N 3.16Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å; Y168-V171 WeakPolarHBondContact O-CB 3.46Å; Y168-V171 PolarHBondContact O-N 3.25Å; Y168-V172 HydrophobicContact CD1-CG2 4.21Å; Y168-V172 HydrophobicContact CD2-CG1 4.15Å; Y168-V172 HydrophobicContact CD2-CG2 4.34Å; Y168-V172 HydrophobicContact CE1-CG2 3.72Å; Y168-V172 HydrophobicContact CE2-CB 4.42Å; Y168-V172 HydrophobicContact CE2-CG1 3.62Å; Y168-V172 HydrophobicContact CE2-CG2 3.89Å; Y168-V172 HydrophobicContact CG-CG2 4.49Å; Y168-V172 WeakPolarHBondContact O-CG2 3.46Å; Y168-V172 PolarHBondContact O-N 2.83Å
169	T	97.2	Very high	95	Very high	4 Å²	4	34 Å²	34	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-27.8	-176.2	54.3	0	0	0	0	112.9	F144 Y158 C165 T166 W173 N211	F144-T169 HydrophobicContact CD2-CG2 3.76Å; F144-T169 HydrophobicContact CE1-CG2 4.42Å; F144-T169 HydrophobicContact CE2-CG2 3.4Å; F144-T169 VanDerWaalsContact CE2-CG2 3.4Å; F144-T169 HydrophobicContact CG-CG2 4.4Å; F144-T169 HydrophobicContact CZ-CG2 3.77Å; Y158-T169 HydrophobicContact CE2-CG2 4.39Å; C165-T169 PolarHBondContact O-N 3.33Å; C165-T169 PolarHBondContact O-OG1 3.42Å; T166-T169 WeakPolarHBondContact CA-OG1 3.06Å; T166-T169 PolarHBondContact O-OG1 3.18Å; T169-W173 WeakPolarHBondContact O-CB 3.49Å; T169-W173 PolarHBondContact O-N 3.33Å; T169-W173 VanDerWaalsContact O-N 3.16Å; T169-N211 VanDerWaalsContact CB-OD1 3.25Å; T169-N211 WeakPolarHBondContact CB-OD1 3.44Å; T169-N211 PolarHBondContact OG1-OD1 2.86Å
170	Q	98	Very high	95.2	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-72.6	-42.2	172.4	-177.8	56.7	85	0	0	112.3	T166 H167 Y168 V172 W173 S176 Y206 G210 N211	T166-Q170 PolarHBondContact O-N 3.47Å; H167-Q170 PolarHBondContact O-N 3.3Å; Y168-Q170 PolarHBondContact O-N 3.16Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-V172 VanDerWaalsContact C-N 3.26Å; Q170-V172 PolarHBondContact O-N 3.05Å; Q170-W173 PolarHBondContact O-N 3.31Å; Q170-S176 PolarHBondContact NE2-OG 3.28Å; Q170-Y206 HydrophobicContact CG-CD1 4.39Å; Q170-Y206 HydrophobicContact CG-CD2 3.5Å; Q170-Y206 VanDerWaalsContact CG-CD2 3.5Å; Q170-Y206 HydrophobicContact CG-CE2 3.76Å; Q170-Y206 HydrophobicContact CG-CG 3.85Å; Q170-G210 VanDerWaalsContact OE1-N 3.07Å; Q170-N211 PolarHBondContact N-OD1 2.86Å
171	V	98.4	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-42.9	176	169.6	0	0	0	0	110.3	R73 W137 Y138 H167 Y168	R73-V171 WeakPolarHBondContact CG-O 3.45Å; R73-V171 PolarHBondContact NH1-O 2.75Å; W137-V171 HydrophobicContact CB-CG2 4.19Å; W137-V171 HydrophobicContact CE3-CG2 4.34Å; Y138-V171 HydrophobicContact CD2-CG1 4.29Å; H167-V171 WeakPolarHBondContact O-CG2 3.32Å; H167-V171 PolarHBondContact O-N 2.56Å; Y168-V171 WeakPolarHBondContact O-CB 3.46Å; Y168-V171 PolarHBondContact O-N 3.25Å
172	V	98.3	Very high	95.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	19.8	-177.4	-55.5	0	0	0	0	114.1	V76 M83 Y138 Y168 Q170 A174 P217 Y218	V76-V172 HydrophobicContact CG1-CB 3.9Å; V76-V172 HydrophobicContact CG1-CG1 3.46Å; V76-V172 VanDerWaalsContact CG1-CG1 3.46Å; M83-V172 HydrophobicContact CE-CB 4.42Å; M83-V172 WeakPolarHBondContact CE-O 3Å; Y138-V172 HydrophobicContact CD2-CG1 4.16Å; Y138-V172 HydrophobicContact CE2-CG1 3.84Å; Y168-V172 HydrophobicContact CD1-CG2 4.21Å; Y168-V172 HydrophobicContact CD2-CG1 4.15Å; Y168-V172 HydrophobicContact CD2-CG2 4.34Å; Y168-V172 HydrophobicContact CE1-CG2 3.72Å; Y168-V172 HydrophobicContact CE2-CB 4.42Å; Y168-V172 HydrophobicContact CE2-CG1 3.62Å; Y168-V172 HydrophobicContact CE2-CG2 3.89Å; Y168-V172 HydrophobicContact CG-CG2 4.49Å; Y168-V172 WeakPolarHBondContact O-CG2 3.46Å; Y168-V172 PolarHBondContact O-N 2.83Å; Q170-V172 VanDerWaalsContact C-N 3.26Å; Q170-V172 PolarHBondContact O-N 3.05Å; V172-A174 PolarHBondContact O-N 3.26Å; V172-P217 HydrophobicContact CG2-CB 4.11Å; V172-P217 HydrophobicContact CG2-CG 4.42Å; V172-Y218 HydrophobicContact CB-CE1 4.46Å; V172-Y218 HydrophobicContact CG2-CD1 4.36Å; V172-Y218 HydrophobicContact CG2-CE1 4.15Å; V172-Y218 WeakPolarHBondContact O-CD1 3.45Å
173	W	98.4	Very high	95.8	Very high	16 Å²	16	24.1 Å²	24.1	6%	0.061	14%	0.135	C	C	.	.			trans	-75.6	115.8	179.3	-159.2	-90.4	0	0	0	110.9	R73 T169 Q170 T175 S176 G210 N211 W212 H215 P217	R73-W173 PolarHBondContact NH1-O 3.19Å; R73-W173 PolarHBondContact NH2-O 3.36Å; R73-W173 VanDerWaalsContact NH2-O 3.14Å; T169-W173 WeakPolarHBondContact O-CB 3.49Å; T169-W173 PolarHBondContact O-N 3.33Å; T169-W173 VanDerWaalsContact O-N 3.16Å; Q170-W173 PolarHBondContact O-N 3.31Å; W173-T175 VanDerWaalsContact C-N 3.31Å; W173-T175 PolarHBondContact NE1-OG1 3.11Å; W173-T175 PolarHBondContact O-N 3.26Å; W173-S176 PolarHBondContact O-N 2.91Å; W173-G210 VanDerWaalsContact CD1-CA 3.5Å; W173-N211 VanDerWaalsContact CZ3-CA 3.42Å; W173-W212 HydrophobicContact CH2-CB 4.11Å; W173-W212 VanDerWaalsContact CH2-N 3.28Å; W173-W212 HydrophobicContact CZ2-CB 3.94Å; W173-W212 AromaticContact CZ2-CD1 3.72Å; W173-W212 HydrophobicContact CZ2-CG 4.25Å; W173-H215 HydrophobicContact CH2-CB 4Å; W173-H215 HydrophobicContact CZ2-CB 4.26Å; W173-P217 CarbonylContact C-O 3.46Å; W173-P217 WeakPolarHBondContact CA-O 3.02Å; W173-P217 VanDerWaalsContact CE3-CA 3.46Å; W173-P217 HydrophobicContact CE3-CB 3.79Å; W173-P217 HydrophobicContact CZ3-CB 4.09Å
174	A	97.3	Very high	96.3	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-46.4	-170.2	0	0	0	0	0	113.2	R73 M83 E84 V172 S176 P217	R73-A174 PolarHBondContact NH2-O 3.43Å; R73-A174 VanDerWaalsContact NH2-O 3.07Å; M83-A174 HydrophobicContact SD-CB 4.41Å; E84-A174 WeakPolarHBondContact CB-O 3.42Å; E84-A174 VanDerWaalsContact CG-O 3.31Å; E84-A174 WeakPolarHBondContact CG-O 3.46Å; E84-A174 PolarHBondContact N-O 3.28Å; V172-A174 PolarHBondContact O-N 3.26Å; A174-S176 VanDerWaalsContact C-N 3.34Å; A174-S176 PolarHBondContact O-N 2.91Å; A174-P217 PolarHBondContact N-O 3.39Å
175	T	95.9	Very high	96.5	Very high	53 Å²	53	18.2 Å²	18.2	33%	0.325	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.6	-175.2	62.3	0	0	0	0	114	W173 S177 P208	W173-T175 VanDerWaalsContact C-N 3.31Å; W173-T175 PolarHBondContact NE1-OG1 3.11Å; W173-T175 PolarHBondContact O-N 3.26Å; T175-S177 PolarHBondContact O-N 2.81Å; T175-S177 VanDerWaalsContact O-N 3.15Å; T175-P208 VanDerWaalsContact O-CD 3.24Å; T175-P208 WeakPolarHBondContact O-CD 3.1Å
176	S	97.5	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.			trans	-80.1	94.7	175.2	-66.2	0	0	0	0	108.5	R73 M86 Q170 W173 A174 P208	R73-S176 PolarHBondContact NH2-O 2.8Å; M86-S176 WeakPolarHBondContact CE-O 3.08Å; Q170-S176 PolarHBondContact NE2-OG 3.28Å; W173-S176 PolarHBondContact O-N 2.91Å; A174-S176 VanDerWaalsContact C-N 3.34Å; A174-S176 PolarHBondContact O-N 2.91Å; S176-P208 WeakPolarHBondContact CB-O 3.13Å; S176-P208 PolarHBondContact OG-O 2.61Å
177	S	95.4	Very high	96.2	Very high	23 Å²	23	21.1 Å²	21.1	16%	0.161	10%	0.103	C	C	.	.			trans	-103	-2.1	-175.1	38.7	0	0	0	0	114.3	E84 M86 T87 T175 S207	E84-S177 VanDerWaalsContact OE2-CB 3.26Å; E84-S177 WeakPolarHBondContact OE2-CB 3.3Å; E84-S177 PolarHBondContact OE2-OG 3.27Å; M86-S177 CarbonylContact C-O 3.58Å; M86-S177 VanDerWaalsContact CA-O 3.26Å; M86-S177 WeakPolarHBondContact CA-O 3.48Å; T87-S177 PolarHBondContact N-O 3.23Å; T175-S177 PolarHBondContact O-N 2.81Å; T175-S177 VanDerWaalsContact O-N 3.15Å; S177-S207 PolarHBondContact N-O 3.26Å
178	R	97.4	Very high	95.8	Very high	107 Å²	107	25.1 Å²	25.1	40%	0.404	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.2	176.5	-65.8	-177.5	-72.4	175.4	-11.3	112	T87 D89 L92 Y206 S207	T87-R178 VanDerWaalsContact O-CA 3.32Å; T87-R178 WeakPolarHBondContact O-CA 3.05Å; D89-R178 HydrophobicContact CB-CB 4Å; D89-R178 HydrophobicContact CB-CG 4.48Å; D89-R178 WeakPolarHBondContact OD2-CD 3.42Å; D89-R178 IonicContact OD2-CZ 3.75Å; D89-R178 IonicContact OD2-NE 2.81Å; D89-R178 IonicContact OD2-NH1 3.1Å; D89-R178 PolarHBondContact OD2-NH1 3.15Å; L92-R178 HydrophobicContact CD1-CB 4.03Å; R178-Y206 CarbonylContact O-C 3.28Å; R178-Y206 WeakPolarHBondContact O-CA 3.46Å; R178-S207 WeakPolarHBondContact CB-O 3.38Å; R178-S207 PolarHBondContact N-O 3.29Å; R178-S207 PolarHBondContact O-N 2.56Å
179	I	98.3	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.5	177.2	-169.4	176.7	0	0	0	111.2	I65 L66 H69 M86 T87 W88 D89 C204 N205 Y206	I65-I179 HydrophobicContact CG2-CD1 4.26Å; L66-I179 HydrophobicContact CD1-CG2 3.72Å; H69-I179 WeakPolarHBondContact CE1-CD1 3.39Å; H69-I179 WeakPolarHBondContact NE2-CD1 3.36Å; M86-I179 HydrophobicContact CG-CB 4.05Å; M86-I179 HydrophobicContact CG-CG2 3.74Å; M86-I179 HydrophobicContact SD-CB 3.55Å; M86-I179 VanDerWaalsContact SD-CB 3.55Å; M86-I179 HydrophobicContact SD-CD1 4.09Å; M86-I179 HydrophobicContact SD-CG1 4.36Å; M86-I179 HydrophobicContact SD-CG2 3.57Å; M86-I179 VanDerWaalsContact SD-CG2 3.57Å; T87-I179 PolarHBondContact O-N 3.26Å; W88-I179 CarbonylContact C-O 3.55Å; W88-I179 VanDerWaalsContact CA-O 3.27Å; W88-I179 WeakPolarHBondContact CA-O 3.07Å; W88-I179 HydrophobicContact CE3-CG2 3.97Å; W88-I179 HydrophobicContact CZ3-CG2 4.47Å; D89-I179 PolarHBondContact N-O 3.24Å; I179-C204 HydrophobicContact CD1-CB 4.39Å; I179-N205 VanDerWaalsContact CA-O 3.29Å; I179-N205 WeakPolarHBondContact CA-O 3.4Å; I179-N205 WeakPolarHBondContact CG1-O 3.43Å; I179-Y206 HydrophobicContact CB-CD1 4.37Å; I179-Y206 HydrophobicContact CD1-CD1 4.16Å; I179-Y206 HydrophobicContact CD1-CE1 3.48Å; I179-Y206 VanDerWaalsContact CD1-CE1 3.48Å; I179-Y206 HydrophobicContact CG1-CD1 4.09Å; I179-Y206 HydrophobicContact CG1-CE1 3.91Å
180	G	97.8	Very high	94.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.6	164.1	0	0	0	0	0	109.7	N205	G180-N205 PolarHBondContact N-O 2.8Å; G180-N205 PolarHBondContact O-N 3.37Å
181	C	97.8	Very high	93.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.1	-176.6	-53.3	0	0	0	0	111.7	I57 I65 W88 E93 L202 V203 C204	I57-C181 VanDerWaalsContact CD1-C 3.46Å; I57-C181 HydrophobicContact CD1-CB 3.65Å; I57-C181 WeakPolarHBondContact CD1-O 3.38Å; I65-C181 HydrophobicContact CD1-CB 4.29Å; W88-C181 HydrophobicContact CH2-CB 3.73Å; W88-C181 VanDerWaalsContact CH2-N 3.3Å; W88-C181 HydrophobicContact CZ3-CB 4.37Å; E93-C181 WeakPolarHBondContact CG-O 3.45Å; C181-L202 HydrophobicContact CB-CD1 4.17Å; C181-V203 CarbonylContact C-O 3.56Å; C181-V203 WeakPolarHBondContact CA-O 3.43Å; C181-V203 WeakPolarHBondContact CB-O 3.37Å; C181-C204 HydrophobicContact CB-CB 4.05Å; C181-C204 WeakPolarHBondContact CB-SG 3.48Å; C181-C204 VanDerWaalsContact SG-CA 3.54Å; C181-C204 WeakPolarHBondContact SG-CB 3.32Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 2.85Å
182	A	96.1	Very high	92.9	Very high	6 Å²	6	38.9 Å²	38.9	5%	0.05	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151	170.2	0	0	0	0	0	111.6	A96 A97 A100 L202 V203	A96-A182 HydrophobicContact CB-CB 3.94Å; A97-A182 HydrophobicContact CB-CB 3.62Å; A100-A182 HydrophobicContact CB-CB 4.48Å; A182-L202 WeakPolarHBondContact O-CA 2.98Å; A182-V203 PolarHBondContact N-O 3.04Å; A182-V203 PolarHBondContact O-N 3.25Å
183	I	93.6	Very high	91.9	Very high	14 Å²	14	42 Å²	42	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.3	172.7	-70.8	-177.4	0	0	0	109.4	R55 I57 P130 V200 Y201 L202	R55-I183 HydrophobicContact CB-CG2 4.26Å; R55-I183 HydrophobicContact CG-CG2 4.06Å; R55-I183 CarbonylContact O-C 3.56Å; R55-I183 VanDerWaalsContact O-C 3.28Å; I57-I183 HydrophobicContact CD1-CG1 4.24Å; I57-I183 HydrophobicContact CG1-CB 4.19Å; I57-I183 HydrophobicContact CG1-CD1 4.32Å; I57-I183 HydrophobicContact CG1-CG1 3.93Å; P130-I183 HydrophobicContact CB-CD1 3.89Å; P130-I183 HydrophobicContact CG-CD1 3.59Å; I183-V200 HydrophobicContact CG2-CG1 3.54Å; I183-Y201 CarbonylContact C-O 3.55Å; I183-Y201 VanDerWaalsContact CA-O 3.27Å; I183-Y201 WeakPolarHBondContact CA-O 3.33Å; I183-L202 HydrophobicContact CD1-CD1 4.04Å; I183-L202 HydrophobicContact CG1-CB 4.19Å; I183-L202 HydrophobicContact CG1-CD1 3.46Å; I183-L202 VanDerWaalsContact CG1-CD1 3.46Å; I183-L202 HydrophobicContact CG1-CG 4.42Å
184	N	94	Very high	91	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.9	165.6	-171.2	35.9	0	0	0	111.5	A100 E101 C103 Y201	A100-N184 HydrophobicContact CB-CB 3.76Å; A100-N184 WeakPolarHBondContact O-CB 3.35Å; A100-N184 PolarHBondContact O-ND2 3.02Å; E101-N184 WeakPolarHBondContact CA-ND2 2.96Å; C103-N184 PolarHBondContact SG-ND2 3.13Å; N184-Y201 PolarHBondContact N-O 3.44Å; N184-Y201 PolarHBondContact O-N 3.41Å
185	L	92.4	Very high	90.6	Very high	45 Å²	45	53 Å²	53	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	108.5	173.7	-179.2	70.6	0	0	0	109.8	K198 V200	L185-K198 HydrophobicContact CD1-CB 4.18Å; L185-V200 HydrophobicContact CD1-CG2 3.84Å
186	C	91.8	Very high	90.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.3	-179.7	-62.2	0	0	0	0	110.9	C103 N188 M189 K198 A199	C103-C186 WeakPolarHBondContact CA-SG 3.43Å; C103-C186 HydrophobicContact CB-CB 3.67Å; C103-C186 WeakPolarHBondContact CB-SG 3.28Å; C103-C186 WeakPolarHBondContact SG-CA 3.23Å; C103-C186 WeakPolarHBondContact SG-CB 3.31Å; C103-C186 CovalentContact SG-SG 2.04Å; C103-C186 PolarHBondContact SG-SG 3.01Å; C186-N188 PolarHBondContact O-N 3Å; C186-M189 HydrophobicContact CB-CB 3.89Å; C186-M189 HydrophobicContact CB-CG 4.3Å; C186-M189 HydrophobicContact CB-SD 4.02Å; C186-K198 CarbonylContact O-C 3.53Å; C186-K198 VanDerWaalsContact O-CA 3.26Å; C186-K198 WeakPolarHBondContact O-CA 3.44Å; C186-K198 PolarHBondContact O-N 3.32Å; C186-A199 HydrophobicContact CB-CB 4.45Å; C186-A199 PolarHBondContact N-O 2.89Å; C186-A199 PolarHBondContact O-N 3.4Å
187	H	90	Very high	89.8	Confident	119 Å²	119	55.4 Å²	55.4	55%	0.551	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	-44.2	-176.3	-70.3	81.1	0	0	0	112.7	P197 K198	H187-P197 CarbonylContact O-C 3.56Å; H187-P197 VanDerWaalsContact O-CA 3.3Å; H187-P197 WeakPolarHBondContact O-CA 3.33Å; H187-K198 PolarHBondContact O-N 2.95Å
188	N	88.6	Confident	89.5	Confident	118 Å²	118	61.3 Å²	61.3	63%	0.631	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	112	173	-69.1	-46.2	0	0	0	107.9	C186 I195	C186-N188 PolarHBondContact O-N 3Å; N188-I195 HydrophobicContact CB-CG2 3.91Å
189	M	86.8	Confident	89.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.8	179.6	-162.6	173.4	-176.1	0	0	109.7	C103 L104 W105 C186 I191 I195 W196 A199 Y201	C103-M189 WeakPolarHBondContact O-CG 2.89Å; L104-M189 VanDerWaalsContact C-CE 3.44Å; W105-M189 HydrophobicContact CB-CE 3.89Å; W105-M189 HydrophobicContact CE3-CE 3.96Å; C186-M189 HydrophobicContact CB-CB 3.89Å; C186-M189 HydrophobicContact CB-CG 4.3Å; C186-M189 HydrophobicContact CB-SD 4.02Å; M189-I191 HydrophobicContact CB-CD1 4.4Å; M189-I191 HydrophobicContact CB-CG1 4.46Å; M189-I191 HydrophobicContact CG-CD1 4.32Å; M189-I191 HydrophobicContact CG-CG1 4.1Å; M189-I191 PolarHBondContact O-N 3.05Å; M189-I191 HydrophobicContact SD-CD1 4.22Å; M189-I191 HydrophobicContact SD-CG1 4.38Å; M189-I195 WeakPolarHBondContact O-CA 3.43Å; M189-W196 PolarHBondContact N-O 3.15Å; M189-W196 VanDerWaalsContact N-O 3.1Å; M189-W196 PolarHBondContact O-N 3.16Å; M189-A199 HydrophobicContact CB-CB 3.85Å; M189-A199 HydrophobicContact SD-CB 4.33Å; M189-Y201 HydrophobicContact CE-CD1 3.55Å; M189-Y201 HydrophobicContact CE-CD2 3.77Å; M189-Y201 HydrophobicContact CE-CE1 3.75Å; M189-Y201 HydrophobicContact CE-CE2 3.97Å; M189-Y201 HydrophobicContact CE-CG 3.56Å; M189-Y201 HydrophobicContact SD-CD1 4.38Å; M189-Y201 HydrophobicContact SD-CD2 4.45Å; M189-Y201 HydrophobicContact SD-CG 4.05Å
190	N	85.3	Confident	88.9	Confident	101 Å²	101	56.8 Å²	56.8	54%	0.54	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.6	175	-177.8	0.5	0	0	0	109.5	W105 G193 Q194	W105-N190 WeakPolarHBondContact CB-O 3.17Å; N190-G193 WeakPolarHBondContact OD1-CA 3.36Å; N190-G193 PolarHBondContact OD1-N 3.24Å; N190-Q194 WeakPolarHBondContact CA-O 3.1Å; N190-Q194 PolarHBondContact OD1-N 3.03Å
191	I	81.5	Confident	88.8	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109.6	178.1	-64.8	163.7	0	0	0	106.8	W105 A122 M189 G193 Q194 W196 A199	W105-I191 HydrophobicContact CB-CG1 4.01Å; W105-I191 HydrophobicContact CD2-CG1 4.06Å; W105-I191 HydrophobicContact CD2-CG2 4.23Å; W105-I191 HydrophobicContact CE3-CG1 4.39Å; W105-I191 HydrophobicContact CG-CB 4.29Å; W105-I191 HydrophobicContact CG-CG1 3.87Å; W105-I191 HydrophobicContact CG-CG2 4.17Å; A122-I191 HydrophobicContact CB-CD1 3.72Å; M189-I191 HydrophobicContact CB-CD1 4.4Å; M189-I191 HydrophobicContact CB-CG1 4.46Å; M189-I191 HydrophobicContact CG-CD1 4.32Å; M189-I191 HydrophobicContact CG-CG1 4.1Å; M189-I191 PolarHBondContact O-N 3.05Å; M189-I191 HydrophobicContact SD-CD1 4.22Å; M189-I191 HydrophobicContact SD-CG1 4.38Å; I191-G193 PolarHBondContact O-N 3.28Å; I191-G193 VanDerWaalsContact O-N 3.16Å; I191-Q194 PolarHBondContact N-O 3.11Å; I191-Q194 PolarHBondContact O-N 2.98Å; I191-W196 HydrophobicContact CB-CD2 4.23Å; I191-W196 HydrophobicContact CB-CG 4.41Å; I191-W196 HydrophobicContact CD1-CB 4.07Å; I191-W196 HydrophobicContact CD1-CD2 3.52Å; I191-W196 HydrophobicContact CD1-CE3 3.3Å; I191-W196 HydrophobicContact CD1-CG 3.87Å; I191-W196 HydrophobicContact CD1-CZ3 3.9Å; I191-W196 HydrophobicContact CG1-CD2 4.43Å; I191-W196 HydrophobicContact CG2-CH2 4.44Å; I191-W196 HydrophobicContact CG2-CZ2 4.2Å; I191-A199 HydrophobicContact CD1-CB 4.35Å
192	W	76.9	Confident	88.7	Confident	193 Å²	193	56.8 Å²	56.8	73%	0.731	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	34.9	179.7	-54.1	-48.7	0	0	0	115.4	W105	W105-W192 AromaticContact CD1-NE1 3.8Å; W105-W192 HydrophobicContact CZ2-CH2 4.21Å; W105-W192 AromaticContact CZ2-CZ2 3.87Å; W105-W192 HydrophobicContact CZ2-CZ2 3.87Å; W105-W192 AromaticContact NE1-CD1 3.82Å; W105-W192 AromaticContact NE1-CD2 3.94Å; W105-W192 AromaticContact NE1-CE2 3.27Å; W105-W192 VanDerWaalsContact NE1-CE2 3.27Å; W105-W192 AromaticContact NE1-CZ2 3.55Å; W105-W192 AromaticContact NE1-NE1 3.19Å; W105-W192 VanDerWaalsContact NE1-NE1 3.19Å
193	G	77.7	Confident	88.8	Confident	64 Å²	64	56.5 Å²	56.5	66%	0.66	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	2.4	178.5	0	0	0	0	0	114.3	N190 I191	N190-G193 WeakPolarHBondContact OD1-CA 3.36Å; N190-G193 PolarHBondContact OD1-N 3.24Å; I191-G193 PolarHBondContact O-N 3.28Å; I191-G193 VanDerWaalsContact O-N 3.16Å
194	Q	79.3	Confident	89	Confident	129 Å²	129	55.8 Å²	55.8	60%	0.603	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.9	174.3	-65.8	-174.3	-20.9	0	0	110.3	N190 I191 W196	N190-Q194 WeakPolarHBondContact CA-O 3.1Å; N190-Q194 PolarHBondContact OD1-N 3.03Å; I191-Q194 PolarHBondContact N-O 3.11Å; I191-Q194 PolarHBondContact O-N 2.98Å; Q194-W196 PolarHBondContact O-N 3.02Å
195	I	88	Confident	89.2	Confident	120 Å²	120	55 Å²	55	62%	0.615	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.7	174.9	-60.2	175.3	0	0	0	108.2	N188 M189 P197	N188-I195 HydrophobicContact CB-CG2 3.91Å; M189-I195 WeakPolarHBondContact O-CA 3.43Å; I195-P197 WeakPolarHBondContact O-CD 3.14Å
196	W	87.6	Confident	89.5	Confident	44 Å²	44	52.9 Å²	52.9	17%	0.167	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.3	173.7	-70.9	19.2	0	0	0	108.7	W124 M189 I191 Q194 A199	W124-W196 HydrophobicContact CB-CB 4.37Å; W124-W196 HydrophobicContact CB-CE3 4.08Å; W124-W196 AromaticContact CD1-CD2 3.5Å; W124-W196 AromaticContact CD1-CE3 3.24Å; W124-W196 AromaticContact CD1-CZ3 3.6Å; W124-W196 HydrophobicContact CG-CB 4.3Å; W124-W196 HydrophobicContact CG-CD2 4.03Å; W124-W196 AromaticContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CG 4.26Å; W124-W196 AromaticContact NE1-CD2 3.85Å; W124-W196 AromaticContact NE1-CE2 3.98Å; M189-W196 PolarHBondContact N-O 3.15Å; M189-W196 VanDerWaalsContact N-O 3.1Å; M189-W196 PolarHBondContact O-N 3.16Å; I191-W196 HydrophobicContact CB-CD2 4.23Å; I191-W196 HydrophobicContact CB-CG 4.41Å; I191-W196 HydrophobicContact CD1-CB 4.07Å; I191-W196 HydrophobicContact CD1-CD2 3.52Å; I191-W196 HydrophobicContact CD1-CE3 3.3Å; I191-W196 HydrophobicContact CD1-CG 3.87Å; I191-W196 HydrophobicContact CD1-CZ3 3.9Å; I191-W196 HydrophobicContact CG1-CD2 4.43Å; I191-W196 HydrophobicContact CG2-CH2 4.44Å; I191-W196 HydrophobicContact CG2-CZ2 4.2Å; Q194-W196 PolarHBondContact O-N 3.02Å; W196-A199 HydrophobicContact CB-CB 3.98Å
197	P	89.4	Confident	89.7	Confident	60 Å²	60	53.9 Å²	53.9	39%	0.39	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.1	176.7	30	-33.7	0	0	0	110.5	W124 H187 I195 A199	W124-P197 HydrophobicContact CE3-CG 3.85Å; W124-P197 HydrophobicContact CZ3-CG 3.84Å; H187-P197 CarbonylContact O-C 3.56Å; H187-P197 VanDerWaalsContact O-CA 3.3Å; H187-P197 WeakPolarHBondContact O-CA 3.33Å; I195-P197 WeakPolarHBondContact O-CD 3.14Å; P197-A199 PolarHBondContact O-N 3.38Å
198	K	89.5	Confident	89.9	Confident	147 Å²	147	51 Å²	51	64%	0.639	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.1	45.2	-179.2	-60.6	-177.1	-179.7	-179	0	112.1	L185 C186 H187	L185-K198 HydrophobicContact CD1-CB 4.18Å; C186-K198 CarbonylContact O-C 3.53Å; C186-K198 VanDerWaalsContact O-CA 3.26Å; C186-K198 WeakPolarHBondContact O-CA 3.44Å; C186-K198 PolarHBondContact O-N 3.32Å; H187-K198 PolarHBondContact O-N 2.95Å
199	A	91.3	Very high	90.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130	176.8	0	0	0	0	0	110.1	H123 C186 M189 I191 W196 P197	H123-A199 CarbonylContact O-C 3.46Å; H123-A199 WeakPolarHBondContact O-CA 3.32Å; C186-A199 HydrophobicContact CB-CB 4.45Å; C186-A199 PolarHBondContact N-O 2.89Å; C186-A199 PolarHBondContact O-N 3.4Å; M189-A199 HydrophobicContact CB-CB 3.85Å; M189-A199 HydrophobicContact SD-CB 4.33Å; I191-A199 HydrophobicContact CD1-CB 4.35Å; W196-A199 HydrophobicContact CB-CB 3.98Å; P197-A199 PolarHBondContact O-N 3.38Å
200	V	92.5	Very high	90.3	Very high	12 Å²	12	48.6 Å²	48.6	7%	0.073	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.1	171	178.9	0	0	0	0	107.6	A122 H123 I183 L185	A122-V200 VanDerWaalsContact CA-O 3.3Å; A122-V200 WeakPolarHBondContact CA-O 3.41Å; H123-V200 WeakPolarHBondContact CE1-CB 3.29Å; H123-V200 VanDerWaalsContact CE1-CG1 3.46Å; H123-V200 WeakPolarHBondContact CE1-CG1 3.46Å; H123-V200 PolarHBondContact N-O 2.04Å; H123-V200 PolarHBondContact O-N 2.8Å; I183-V200 HydrophobicContact CG2-CG1 3.54Å; L185-V200 HydrophobicContact CD1-CG2 3.84Å
201	Y	94.7	Very high	90.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.2	-176.3	-177.8	-145.9	0	0	0	110.2	W99 A100 L104 W105 E106 L120 G121 A122 I183 N184 M189 V203	W99-Y201 PolarHBondContact NE1-OH 3.45Å; A100-Y201 HydrophobicContact CB-CD1 4.3Å; L104-Y201 PolarHBondContact O-OH 2.87Å; W105-Y201 AromaticContact CE3-CD2 3.9Å; W105-Y201 HydrophobicContact CE3-CD2 3.9Å; W105-Y201 AromaticContact CE3-CE2 3.59Å; W105-Y201 HydrophobicContact CE3-CE2 3.59Å; W105-Y201 AromaticContact CZ3-CD2 3.77Å; W105-Y201 HydrophobicContact CZ3-CD2 3.77Å; W105-Y201 AromaticContact CZ3-CE2 3.56Å; W105-Y201 HydrophobicContact CZ3-CE2 3.56Å; E106-Y201 PolarHBondContact O-OH 2.81Å; L120-Y201 HydrophobicContact CB-CE2 4.16Å; L120-Y201 HydrophobicContact CD1-CE2 4.46Å; L120-Y201 WeakPolarHBondContact CD1-OH 3.49Å; L120-Y201 HydrophobicContact CD2-CE2 3.99Å; L120-Y201 WeakPolarHBondContact CD2-OH 3.32Å; L120-Y201 HydrophobicContact CG-CE2 4.42Å; G121-Y201 WeakPolarHBondContact O-CD2 2.99Å; A122-Y201 HydrophobicContact CB-CD2 4.49Å; I183-Y201 CarbonylContact C-O 3.55Å; I183-Y201 VanDerWaalsContact CA-O 3.27Å; I183-Y201 WeakPolarHBondContact CA-O 3.33Å; N184-Y201 PolarHBondContact N-O 3.44Å; N184-Y201 PolarHBondContact O-N 3.41Å; M189-Y201 HydrophobicContact CE-CD1 3.55Å; M189-Y201 HydrophobicContact CE-CD2 3.77Å; M189-Y201 HydrophobicContact CE-CE1 3.75Å; M189-Y201 HydrophobicContact CE-CE2 3.97Å; M189-Y201 HydrophobicContact CE-CG 3.56Å; M189-Y201 HydrophobicContact SD-CD1 4.38Å; M189-Y201 HydrophobicContact SD-CD2 4.45Å; M189-Y201 HydrophobicContact SD-CG 4.05Å; Y201-V203 HydrophobicContact CD1-CG2 4.14Å; Y201-V203 HydrophobicContact CE1-CG2 3.62Å; Y201-V203 HydrophobicContact CE2-CG2 4.03Å
202	L	95.8	Very high	90.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.4	174.3	176.8	72	0	0	0	109.4	I57 L120 G121 P130 H133 W137 C181 A182 I183	I57-L202 HydrophobicContact CD1-CD1 4.13Å; L120-L202 WeakPolarHBondContact CA-O 3.27Å; G121-L202 PolarHBondContact N-O 3.08Å; G121-L202 PolarHBondContact O-N 3.23Å; P130-L202 HydrophobicContact CB-CD1 4.5Å; H133-L202 HydrophobicContact CB-CD2 3.54Å; W137-L202 HydrophobicContact CH2-CD2 3.68Å; W137-L202 HydrophobicContact CH2-CG 4.19Å; W137-L202 HydrophobicContact CZ2-CD2 4.12Å; W137-L202 HydrophobicContact CZ3-CD2 4.43Å; C181-L202 HydrophobicContact CB-CD1 4.17Å; A182-L202 WeakPolarHBondContact O-CA 2.98Å; I183-L202 HydrophobicContact CD1-CD1 4.04Å; I183-L202 HydrophobicContact CG1-CB 4.19Å; I183-L202 HydrophobicContact CG1-CD1 3.46Å; I183-L202 VanDerWaalsContact CG1-CD1 3.46Å; I183-L202 HydrophobicContact CG1-CG 4.42Å
203	V	97.6	Very high	90.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.3	171.8	-178.1	0	0	0	0	107.4	A96 A100 Q118 L120 C181 A182 Y201	A96-V203 HydrophobicContact CB-CB 4.16Å; A96-V203 HydrophobicContact CB-CG1 3.95Å; A100-V203 HydrophobicContact CB-CB 4.45Å; A100-V203 HydrophobicContact CB-CG2 3.79Å; Q118-V203 HydrophobicContact CG-CG1 4.08Å; L120-V203 HydrophobicContact CD2-CB 4.21Å; L120-V203 HydrophobicContact CD2-CG1 3.93Å; L120-V203 HydrophobicContact CD2-CG2 3.87Å; C181-V203 CarbonylContact C-O 3.56Å; C181-V203 WeakPolarHBondContact CA-O 3.43Å; C181-V203 WeakPolarHBondContact CB-O 3.37Å; A182-V203 PolarHBondContact N-O 3.04Å; A182-V203 PolarHBondContact O-N 3.25Å; Y201-V203 HydrophobicContact CD1-CG2 4.14Å; Y201-V203 HydrophobicContact CE1-CG2 3.62Å; Y201-V203 HydrophobicContact CE2-CG2 4.03Å
204	C	98.3	Very high	91.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.9	171.5	-75.7	0	0	0	0	109.8	Q118 N119 W137 I179 C181 Y206	Q118-C204 CarbonylContact C-O 3.58Å; Q118-C204 VanDerWaalsContact CA-O 3.24Å; Q118-C204 WeakPolarHBondContact CA-O 3.41Å; N119-C204 PolarHBondContact N-O 3.41Å; N119-C204 PolarHBondContact O-N 3.05Å; W137-C204 HydrophobicContact CH2-CB 3.76Å; W137-C204 HydrophobicContact CZ3-CB 3.87Å; I179-C204 HydrophobicContact CD1-CB 4.39Å; C181-C204 HydrophobicContact CB-CB 4.05Å; C181-C204 WeakPolarHBondContact CB-SG 3.48Å; C181-C204 VanDerWaalsContact SG-CA 3.54Å; C181-C204 WeakPolarHBondContact SG-CB 3.32Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 2.85Å; C204-Y206 HydrophobicContact CB-CE2 3.97Å; C204-Y206 WeakPolarHBondContact O-CE2 3.44Å
205	N	98.4	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.5	177.5	-70.8	-25.6	0	0	0	110.3	L92 A96 I116 G117 Q118 I179 G180	L92-N205 HydrophobicContact CB-CB 4.12Å; L92-N205 HydrophobicContact CD2-CB 4.23Å; L92-N205 PolarHBondContact O-ND2 2.84Å; L92-N205 VanDerWaalsContact O-ND2 3.16Å; A96-N205 WeakPolarHBondContact CA-ND2 3.49Å; A96-N205 PolarHBondContact N-ND2 2.99Å; I116-N205 HydrophobicContact CD1-CB 4.01Å; G117-N205 CarbonylContact O-C 3.54Å; G117-N205 WeakPolarHBondContact O-CA 3.38Å; Q118-N205 WeakPolarHBondContact CG-OD1 3.36Å; Q118-N205 PolarHBondContact NE2-OD1 3.39Å; I179-N205 VanDerWaalsContact CA-O 3.29Å; I179-N205 WeakPolarHBondContact CA-O 3.4Å; I179-N205 WeakPolarHBondContact CG1-O 3.43Å; G180-N205 PolarHBondContact N-O 2.8Å; G180-N205 PolarHBondContact O-N 3.37Å
206	Y	98.2	Very high	92.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.3	-176.4	-58.3	-95	0	0	0	110.7	H69 M86 I116 G117 N119 Q170 R178 I179 C204	H69-Y206 AromaticContact CD2-CE1 3.84Å; H69-Y206 AromaticContact NE2-CE1 3.63Å; H69-Y206 AromaticContact NE2-CZ 3.66Å; H69-Y206 PolarHBondContact NE2-OH 3.2Å; M86-Y206 HydrophobicContact CE-CD1 3.85Å; M86-Y206 HydrophobicContact CE-CE1 4.14Å; M86-Y206 HydrophobicContact SD-CD1 4.4Å; M86-Y206 HydrophobicContact SD-CE1 4.39Å; I116-Y206 CarbonylContact C-O 3.43Å; I116-Y206 WeakPolarHBondContact CA-O 3.15Å; G117-Y206 PolarHBondContact N-O 3.11Å; G117-Y206 PolarHBondContact O-N 3.46Å; N119-Y206 HydrophobicContact CB-CE2 3.89Å; N119-Y206 PolarHBondContact ND2-OH 3.35Å; Q170-Y206 HydrophobicContact CG-CD1 4.39Å; Q170-Y206 HydrophobicContact CG-CD2 3.5Å; Q170-Y206 VanDerWaalsContact CG-CD2 3.5Å; Q170-Y206 HydrophobicContact CG-CE2 3.76Å; Q170-Y206 HydrophobicContact CG-CG 3.85Å; R178-Y206 CarbonylContact O-C 3.28Å; R178-Y206 WeakPolarHBondContact O-CA 3.46Å; I179-Y206 HydrophobicContact CB-CD1 4.37Å; I179-Y206 HydrophobicContact CD1-CD1 4.16Å; I179-Y206 HydrophobicContact CD1-CE1 3.48Å; I179-Y206 VanDerWaalsContact CD1-CE1 3.48Å; I179-Y206 HydrophobicContact CG1-CD1 4.09Å; I179-Y206 HydrophobicContact CG1-CE1 3.91Å; C204-Y206 HydrophobicContact CB-CE2 3.97Å; C204-Y206 WeakPolarHBondContact O-CE2 3.44Å
207	S	96.4	Very high	92.5	Very high	22 Å²	22	44.5 Å²	44.5	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.3	175.3	-174.1	0	0	0	0	111.4	S177 R178	S177-S207 PolarHBondContact N-O 3.26Å; R178-S207 WeakPolarHBondContact CB-O 3.38Å; R178-S207 PolarHBondContact N-O 3.29Å; R178-S207 PolarHBondContact O-N 2.56Å
208	P	95.1	Very high	92.8	Very high	59 Å²	59	42 Å²	42	38%	0.383	19%	0.194	S	C	.	.	S	Bend	cis	-53.1	156	-20	-26.5	30.8	0	0	0	113.7	T175 S176	T175-P208 VanDerWaalsContact O-CD 3.24Å; T175-P208 WeakPolarHBondContact O-CD 3.1Å; S176-P208 WeakPolarHBondContact CB-O 3.13Å; S176-P208 PolarHBondContact OG-O 2.61Å
209	K	91.9	Very high	93.1	Very high	67 Å²	67	41.1 Å²	41.1	29%	0.291	19%	0.191	S	C	.	.			trans	-59.3	137.6	175.8	173.4	173.8	-178.6	174.9	0	112.6	L113 I116 W212	L113-K209 PolarHBondContact O-NZ 3.44Å; I116-K209 WeakPolarHBondContact O-CD 3.48Å; K209-W212 PolarHBondContact O-NE1 3.19Å
210	G	92.1	Very high	93.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.			trans	-96.2	-161.8	170.3	0	0	0	0	0	113.9	Q170 W173 W212	Q170-G210 VanDerWaalsContact OE1-N 3.07Å; W173-G210 VanDerWaalsContact CD1-CA 3.5Å; G210-W212 VanDerWaalsContact C-N 3.29Å; G210-W212 PolarHBondContact O-N 2.88Å
211	N	91.9	Very high	93.4	Very high	53 Å²	53	44.3 Å²	44.3	28%	0.283	22%	0.217	S	C	.	.			trans	56.2	39.3	176.1	-63.9	-16.7	0	0	0	114.1	T166 T169 Q170 W173 W213	T166-N211 PolarHBondContact O-ND2 3.17Å; T169-N211 VanDerWaalsContact CB-OD1 3.25Å; T169-N211 WeakPolarHBondContact CB-OD1 3.44Å; T169-N211 PolarHBondContact OG1-OD1 2.86Å; Q170-N211 PolarHBondContact N-OD1 2.86Å; W173-N211 VanDerWaalsContact CZ3-CA 3.42Å; N211-W213 PolarHBondContact O-N 2.95Å
212	W	82.8	Confident	93.5	Very high	147 Å²	147	54.1 Å²	54.1	56%	0.557	25%	0.254	S	S	*	.			trans	-65.5	126.6	172.1	-71.3	92	0	0	0	110.2	W173 K209 G210 G214 H215	W173-W212 HydrophobicContact CH2-CB 4.11Å; W173-W212 VanDerWaalsContact CH2-N 3.28Å; W173-W212 HydrophobicContact CZ2-CB 3.94Å; W173-W212 AromaticContact CZ2-CD1 3.72Å; W173-W212 HydrophobicContact CZ2-CG 4.25Å; K209-W212 PolarHBondContact O-NE1 3.19Å; G210-W212 VanDerWaalsContact C-N 3.29Å; G210-W212 PolarHBondContact O-N 2.88Å; W212-G214 PolarHBondContact O-N 3.2Å; W212-H215 HydrophobicContact CB-CB 4.09Å; W212-H215 PolarHBondContact O-N 3.26Å; W212-H215 VanDerWaalsContact O-N 3.11Å
213	W	80.8	Confident	93.5	Very high	216 Å²	216	56 Å²	56	82%	0.818	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	130.2	-178.1	-170	-97.9	0	0	0	110.5	N211 H215	N211-W213 PolarHBondContact O-N 2.95Å; W213-H215 VanDerWaalsContact C-N 3.35Å; W213-H215 PolarHBondContact O-CD2 2.9Å
214	G	86.3	Confident	93.4	Very high	10 Å²	10	57.1 Å²	57.1	10%	0.103	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	9.5	-177.2	0	0	0	0	0	114.9	Y155 C156 W212	Y155-G214 CarbonylContact C-O 3.55Å; Y155-G214 WeakPolarHBondContact CA-O 3.41Å; C156-G214 PolarHBondContact N-O 3.38Å; W212-G214 PolarHBondContact O-N 3.2Å
215	H	89.1	Confident	93.3	Very high	114 Å²	114	60.9 Å²	60.9	53%	0.528	30%	0.3	S	S	.	.			trans	-119.8	142.6	176.5	-65.3	-91.5	0	0	0	111.7	W173 W212 W213	W173-H215 HydrophobicContact CH2-CB 4Å; W173-H215 HydrophobicContact CZ2-CB 4.26Å; W212-H215 HydrophobicContact CB-CB 4.09Å; W212-H215 PolarHBondContact O-N 3.26Å; W212-H215 VanDerWaalsContact O-N 3.11Å; W213-H215 VanDerWaalsContact C-N 3.35Å; W213-H215 PolarHBondContact O-CD2 2.9Å
216	A	93.6	Very high	93.1	Very high	23 Å²	23	62.9 Å²	62.9	19%	0.19	32%	0.316	C	S	.	.			trans	-73	150.6	170.8	0	0	0	0	0	110.7	Y146 P147 Y218	Y146-A216 HydrophobicContact CE2-CB 4.45Å; P147-A216 HydrophobicContact CG-CB 3.88Å; A216-Y218 PolarHBondContact O-N 3.28Å
217	P	96.2	Very high	92.9	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.032	33%	0.325	C	S	.	.	S	Bend	trans	-64.8	-26.9	-176.5	24.3	-33.3	0	0	0	114	F144 Y146 V172 W173 A174	F144-P217 HydrophobicContact CE1-CG 4.45Å; F144-P217 HydrophobicContact CZ-CG 4.21Å; Y146-P217 HydrophobicContact CD2-CG 4.36Å; Y146-P217 HydrophobicContact CE2-CG 4.17Å; V172-P217 HydrophobicContact CG2-CB 4.11Å; V172-P217 HydrophobicContact CG2-CG 4.42Å; W173-P217 CarbonylContact C-O 3.46Å; W173-P217 WeakPolarHBondContact CA-O 3.02Å; W173-P217 VanDerWaalsContact CE3-CA 3.46Å; W173-P217 HydrophobicContact CE3-CB 3.79Å; W173-P217 HydrophobicContact CZ3-CB 4.09Å; A174-P217 PolarHBondContact N-O 3.39Å
218	Y	96.6	Very high	92.6	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.027	33%	0.328	C	S	.	.	S	Bend	trans	-156.1	171.4	178.5	53.6	-97.5	0	0	0	109.5	V76 Y77 P78 A80 M83 Y146 V172 A216	V76-Y218 HydrophobicContact CB-CE1 4.07Å; V76-Y218 HydrophobicContact CG1-CE1 4.4Å; V76-Y218 HydrophobicContact CG2-CE1 3.91Å; V76-Y218 HydrophobicContact CG2-CE2 4.11Å; Y77-Y218 PolarHBondContact O-OH 2.79Å; P78-Y218 HydrophobicContact CG-CE2 4.29Å; P78-Y218 WeakPolarHBondContact O-CE2 3.22Å; P78-Y218 PolarHBondContact O-OH 3.31Å; A80-Y218 HydrophobicContact CB-CD2 3.41Å; A80-Y218 VanDerWaalsContact CB-CD2 3.41Å; A80-Y218 HydrophobicContact CB-CE2 3.92Å; A80-Y218 HydrophobicContact CB-CG 3.74Å; M83-Y218 HydrophobicContact CE-CD1 3.69Å; M83-Y218 HydrophobicContact CE-CE1 4.39Å; M83-Y218 HydrophobicContact CE-CG 3.89Å; Y146-Y218 HydrophobicContact CD2-CE1 4.17Å; Y146-Y218 AromaticContact CD2-CE2 3.98Å; Y146-Y218 HydrophobicContact CD2-CE2 3.98Å; Y146-Y218 AromaticContact CD2-CZ 3.68Å; Y146-Y218 HydrophobicContact CE2-CD1 4.29Å; Y146-Y218 AromaticContact CE2-CD2 3.76Å; Y146-Y218 HydrophobicContact CE2-CD2 3.76Å; Y146-Y218 AromaticContact CE2-CE1 3.94Å; Y146-Y218 HydrophobicContact CE2-CE1 3.94Å; Y146-Y218 AromaticContact CE2-CE2 3.37Å; Y146-Y218 HydrophobicContact CE2-CE2 3.37Å; Y146-Y218 HydrophobicContact CE2-CG 4.22Å; Y146-Y218 AromaticContact CE2-CZ 3.48Å; Y146-Y218 VanDerWaalsContact CE2-CZ 3.48Å; Y146-Y218 AromaticContact CZ-CE2 3.97Å; Y146-Y218 PolarHBondContact OH-O 2.93Å; V172-Y218 HydrophobicContact CB-CE1 4.46Å; V172-Y218 HydrophobicContact CG2-CD1 4.36Å; V172-Y218 HydrophobicContact CG2-CE1 4.15Å; V172-Y218 WeakPolarHBondContact O-CD1 3.45Å; A216-Y218 PolarHBondContact O-N 3.28Å
219	K	95.2	Very high	92.2	Very high	129 Å²	129	68 Å²	68	56%	0.561	35%	0.35	S	S	*	.			trans	-91.3	128.4	174.7	-67.2	-179.9	179.3	178.1	0	110.4	A80 S81 N82	A80-K219 WeakPolarHBondContact CA-O 3.48Å; S81-K219 PolarHBondContact N-O 3.39Å; S81-K219 WeakPolarHBondContact OG-CB 3.37Å; S81-K219 PolarHBondContact OG-O 2.87Å; N82-K219 WeakPolarHBondContact OD1-CB 3.45Å; N82-K219 PolarHBondContact OD1-N 3.21Å
220	P	95.4	Very high	91.8	Very high	50 Å²	50	68.6 Å²	68.6	33%	0.325	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-75.7	139.8	-178.6	33	-27.1	0	0	0	109.6	P78 P79 Y146 P149	P78-P220 HydrophobicContact CB-CB 4.27Å; P78-P220 HydrophobicContact CG-CB 4.06Å; P79-P220 CarbonylContact O-C 3.6Å; P79-P220 WeakPolarHBondContact O-CA 3.49Å; Y146-P220 HydrophobicContact CE1-CB 4.1Å; Y146-P220 HydrophobicContact CE1-CG 4.04Å; Y146-P220 WeakPolarHBondContact OH-CD 3.13Å; P149-P220 HydrophobicContact CG-CG 3.81Å
221	G	95	Very high	91.4	Very high	29 Å²	29	69.9 Å²	69.9	30%	0.299	37%	0.367	S	S	.	.	S	Bend	trans	161.2	-173.4	177.7	0	0	0	0	0	113.1	P79	P79-G221 CarbonylContact C-O 3.55Å; P79-G221 PolarHBondContact O-N 2.76Å; P79-G221 VanDerWaalsContact O-O 3.07Å
222	R	96.1	Very high	90.7	Very high	206 Å²	206	70.8 Å²	70.8	78%	0.777	39%	0.39	S	S	*	.	S	Bend	trans	-60.6	132	176.2	-176.2	177.7	178.6	-179.3	-0.7	109.2	S81 C224 S225	S81-R222 WeakPolarHBondContact CA-O 3.47Å; S81-R222 WeakPolarHBondContact CB-O 3.37Å; R222-C224 PolarHBondContact O-N 2.77Å; R222-S225 VanDerWaalsContact O-CB 3.28Å; R222-S225 WeakPolarHBondContact O-CB 3.25Å; R222-S225 PolarHBondContact O-N 3.39Å; R222-S225 VanDerWaalsContact O-N 3.12Å; R222-S225 PolarHBondContact O-OG 3.28Å
223	P	96.9	Very high	90.5	Very high	38 Å²	38	67 Å²	67	25%	0.247	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	137.5	176.7	-31.5	37.4	0	0	0	113.1	P79 A80 S225 N238	P79-P223 HydrophobicContact CB-CG 4.31Å; A80-P223 WeakPolarHBondContact O-CA 3.49Å; P223-S225 PolarHBondContact O-N 2.82Å; P223-N238 HydrophobicContact CB-CB 3.7Å; P223-N238 WeakPolarHBondContact CB-OD1 3.34Å; P223-N238 HydrophobicContact CG-CB 4.04Å
224	C	95.3	Very high	90.7	Very high	25 Å²	25	57.5 Å²	57.5	17%	0.169	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	5	179.8	-50.5	0	0	0	0	117.3	S81 R222 A226 C227 C235 L239	S81-C224 CarbonylContact O-C 3.43Å; S81-C224 WeakPolarHBondContact O-CA 3.1Å; S81-C224 PolarHBondContact O-N 3.19Å; R222-C224 PolarHBondContact O-N 2.77Å; C224-A226 PolarHBondContact O-N 2.85Å; C224-C227 WeakPolarHBondContact CA-SG 3.34Å; C224-C227 PolarHBondContact O-SG 2.84Å; C224-C235 HydrophobicContact CB-CB 3.47Å; C224-C235 VanDerWaalsContact CB-CB 3.47Å; C224-C235 WeakPolarHBondContact CB-SG 3.45Å; C224-C235 WeakPolarHBondContact SG-CB 3.24Å; C224-C235 CovalentContact SG-SG 2.03Å; C224-C235 PolarHBondContact SG-SG 3.3Å; C224-L239 PolarHBondContact SG-O 3.06Å
225	S	95.2	Very high	91	Very high	78 Å²	78	60.6 Å²	60.6	55%	0.545	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.8	-179.3	59.9	0	0	0	0	114.8	S81 R222 P223	S81-S225 VanDerWaalsContact CB-OG 3.28Å; S81-S225 WeakPolarHBondContact CB-OG 3.37Å; S81-S225 PolarHBondContact O-N 3.1Å; R222-S225 VanDerWaalsContact O-CB 3.28Å; R222-S225 WeakPolarHBondContact O-CB 3.25Å; R222-S225 PolarHBondContact O-N 3.39Å; R222-S225 VanDerWaalsContact O-N 3.12Å; R222-S225 PolarHBondContact O-OG 3.28Å; P223-S225 PolarHBondContact O-N 2.82Å
226	A	95.1	Very high	91.3	Very high	42 Å²	42	59 Å²	59	35%	0.347	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	33.6	-179.4	0	0	0	0	0	112	S81 N82 C224	S81-A226 CarbonylContact O-C 3.5Å; S81-A226 PolarHBondContact O-N 3.36Å; N82-A226 HydrophobicContact CB-CB 4.13Å; N82-A226 VanDerWaalsContact CB-O 3.23Å; N82-A226 WeakPolarHBondContact CB-O 3.38Å; C224-A226 PolarHBondContact O-N 2.85Å
227	C	94	Very high	91.3	Very high	28 Å²	28	64.5 Å²	64.5	19%	0.189	40%	0.396	C	S	.	.			trans	-62.6	140.1	176.1	-70.9	0	0	0	0	112.2	C224 C240	C224-C227 WeakPolarHBondContact CA-SG 3.34Å; C224-C227 PolarHBondContact O-SG 2.84Å; C227-C240 WeakPolarHBondContact CA-SG 3.44Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.28Å; C227-C240 WeakPolarHBondContact SG-CA 3.43Å; C227-C240 WeakPolarHBondContact SG-CB 3.26Å; C227-C240 CovalentContact SG-SG 2.03Å; C227-C240 PolarHBondContact SG-SG 2.87Å
228	P	89.9	Confident	91.3	Very high	34 Å²	34	68 Å²	68	22%	0.221	41%	0.414	C	S	.	.			trans	-60.6	145.1	173.8	-19.9	30.8	0	0	0	111.5	E84 S230 F231	E84-P228 HydrophobicContact CG-CG 4.34Å; P228-S230 PolarHBondContact O-N 2.95Å; P228-F231 HydrophobicContact CB-CD2 4.11Å; P228-F231 HydrophobicContact CG-CD2 4.11Å; P228-F231 HydrophobicContact CG-CE2 4.25Å; P228-F231 PolarHBondContact O-N 2.84Å
229	P	86.2	Confident	91.3	Very high	128 Å²	128	67.8 Å²	67.8	83%	0.831	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-56	-25.4	178.4	-27.2	35	0	0	0	114.4	F231 G232	P229-F231 PolarHBondContact O-N 2.79Å; P229-F231 VanDerWaalsContact O-N 3.15Å; P229-G232 PolarHBondContact O-N 2.94Å
230	S	83.9	Confident	91.3	Very high	79 Å²	79	61.6 Å²	61.6	55%	0.552	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-60.6	-19.2	177	54.9	0	0	0	0	114.3	P228	P228-S230 PolarHBondContact O-N 2.95Å
231	F	84.5	Confident	91.1	Very high	26 Å²	26	60.4 Å²	60.4	11%	0.114	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-92.4	2.4	176.8	-70.5	-93.1	0	0	0	113.1	E84 P228 P229 G233 G234 C240 R242	E84-F231 HydrophobicContact CB-CE1 4.38Å; E84-F231 HydrophobicContact CB-CE2 4.11Å; E84-F231 HydrophobicContact CB-CZ 3.69Å; E84-F231 HydrophobicContact CG-CD2 4.49Å; E84-F231 HydrophobicContact CG-CE2 3.61Å; E84-F231 HydrophobicContact CG-CZ 3.75Å; P228-F231 HydrophobicContact CB-CD2 4.11Å; P228-F231 HydrophobicContact CG-CD2 4.11Å; P228-F231 HydrophobicContact CG-CE2 4.25Å; P228-F231 PolarHBondContact O-N 2.84Å; P229-F231 PolarHBondContact O-N 2.79Å; P229-F231 VanDerWaalsContact O-N 3.15Å; F231-G233 PolarHBondContact O-N 3.06Å; F231-G234 PolarHBondContact O-N 2.66Å; F231-C240 HydrophobicContact CB-CB 4.22Å; F231-C240 HydrophobicContact CD1-CB 4.17Å; F231-C240 WeakPolarHBondContact CD1-O 3.4Å; F231-C240 HydrophobicContact CD2-CB 4.32Å; F231-C240 VanDerWaalsContact CE1-O 3.31Å; F231-C240 WeakPolarHBondContact CE1-O 3.35Å; F231-C240 HydrophobicContact CG-CB 3.97Å; F231-R242 HydrophobicContact CD1-CB 4.14Å
232	G	77.5	Confident	90.6	Very high	73 Å²	73	67.2 Å²	67.2	75%	0.753	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	14.4	173.4	0	0	0	0	0	115.2	P229 G234	P229-G232 PolarHBondContact O-N 2.94Å; G232-G234 VanDerWaalsContact C-N 3.34Å
233	G	76.9	Confident	89.1	Confident	66 Å²	66	66 Å²	66	68%	0.68	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	4.8	-179.7	0	0	0	0	0	115.3	F231	F231-G233 PolarHBondContact O-N 3.06Å
234	G	86.8	Confident	87.4	Confident	18 Å²	18	67.9 Å²	67.9	19%	0.186	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.5	177.3	0	0	0	0	0	112.5	F231 G232 Y241	F231-G234 PolarHBondContact O-N 2.66Å; G232-G234 VanDerWaalsContact C-N 3.34Å; G234-Y241 CarbonylContact C-O 3.41Å; G234-Y241 WeakPolarHBondContact CA-O 3.45Å; G234-Y241 PolarHBondContact O-N 3.22Å
235	C	92.5	Very high	85.4	Confident	74 Å²	74	70 Å²	70	50%	0.5	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.3	178.2	-175.1	0	0	0	0	109.6	C224 L239	C224-C235 HydrophobicContact CB-CB 3.47Å; C224-C235 VanDerWaalsContact CB-CB 3.47Å; C224-C235 WeakPolarHBondContact CB-SG 3.45Å; C224-C235 WeakPolarHBondContact SG-CB 3.24Å; C224-C235 CovalentContact SG-SG 2.03Å; C224-C235 PolarHBondContact SG-SG 3.3Å; C235-L239 WeakPolarHBondContact CA-O 3.29Å
236	R	93.6	Very high	83.1	Confident	81 Å²	81	74.4 Å²	74.4	31%	0.306	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.4	176.5	-170.1	172.5	75.2	-178.7	4.2	108.9	Y85 N238 L239 Y241	Y85-R236 PolarHBondContact OH-NH2 2.78Å; R236-N238 PolarHBondContact O-N 3.3Å; R236-N238 VanDerWaalsContact O-N 3.16Å; R236-L239 PolarHBondContact N-O 3.43Å; R236-L239 WeakPolarHBondContact O-CB 3.25Å; R236-L239 PolarHBondContact O-N 3.39Å; R236-Y241 HydrophobicContact CB-CG 4.11Å; R236-Y241 VanDerWaalsContact CZ-CZ 3.47Å; R236-Y241 PolarHBondContact NH1-OH 3.14Å
237	E	94.1	Very high	80.4	Confident	139 Å²	139	75.1 Å²	75.1	65%	0.65	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	41.7	177.4	-60.6	178.9	172.4	0	0	113.9	L239	E237-L239 VanDerWaalsContact C-N 3.27Å; E237-L239 PolarHBondContact O-N 3.05Å
238	N	96.6	Very high	77.9	Confident	79 Å²	79	80 Å²	80	42%	0.422	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.6	-176.5	-53.5	-40.4	0	0	0	115.8	G74 P223 R236	G74-N238 PolarHBondContact O-ND2 2.73Å; P223-N238 HydrophobicContact CB-CB 3.7Å; P223-N238 WeakPolarHBondContact CB-OD1 3.34Å; P223-N238 HydrophobicContact CG-CB 4.04Å; R236-N238 PolarHBondContact O-N 3.3Å; R236-N238 VanDerWaalsContact O-N 3.16Å
239	L	96.7	Very high	75.5	Confident	1 Å²	1	85.2 Å²	85.2	1%	0.005	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.2	178.3	-55.4	172.4	0	0	0	111.4	N70 R73 M83 Y85 C224 C235 R236 E237 Y241	N70-L239 HydrophobicContact CB-CD1 3.78Å; R73-L239 HydrophobicContact CB-CD2 3.77Å; M83-L239 HydrophobicContact CB-CD2 3.94Å; M83-L239 HydrophobicContact CG-CD2 3.31Å; M83-L239 CarbonylContact O-C 3.56Å; M83-L239 WeakPolarHBondContact O-CA 3.45Å; Y85-L239 HydrophobicContact CD2-CB 4.38Å; Y85-L239 HydrophobicContact CD2-CD1 3.71Å; Y85-L239 HydrophobicContact CE2-CD1 4.36Å; C224-L239 PolarHBondContact SG-O 3.06Å; C235-L239 WeakPolarHBondContact CA-O 3.29Å; R236-L239 PolarHBondContact N-O 3.43Å; R236-L239 WeakPolarHBondContact O-CB 3.25Å; R236-L239 PolarHBondContact O-N 3.39Å; E237-L239 VanDerWaalsContact C-N 3.27Å; E237-L239 PolarHBondContact O-N 3.05Å; L239-Y241 PolarHBondContact O-N 3.48Å
240	C	95.2	Very high	72.9	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	113.4	169.6	-54.8	0	0	0	0	108.8	M83 Y85 C227 F231	M83-C240 PolarHBondContact O-N 2.79Å; M83-C240 PolarHBondContact O-SG 2.87Å; M83-C240 VanDerWaalsContact O-SG 3.4Å; Y85-C240 WeakPolarHBondContact CB-O 3.28Å; Y85-C240 PolarHBondContact N-O 3.13Å; C227-C240 WeakPolarHBondContact CA-SG 3.44Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.28Å; C227-C240 WeakPolarHBondContact SG-CA 3.43Å; C227-C240 WeakPolarHBondContact SG-CB 3.26Å; C227-C240 CovalentContact SG-SG 2.03Å; C227-C240 PolarHBondContact SG-SG 2.87Å; F231-C240 HydrophobicContact CB-CB 4.22Å; F231-C240 HydrophobicContact CD1-CB 4.17Å; F231-C240 WeakPolarHBondContact CD1-O 3.4Å; F231-C240 HydrophobicContact CD2-CB 4.32Å; F231-C240 VanDerWaalsContact CE1-O 3.31Å; F231-C240 WeakPolarHBondContact CE1-O 3.35Å; F231-C240 HydrophobicContact CG-CB 3.97Å
241	Y	91.3	Very high	70.7	Confident	25 Å²	25	85.2 Å²	85.2	10%	0.098	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.6	-171.7	-171.6	-99	0	0	0	110.1	Y85 G234 R236 L239 S245	Y85-Y241 AromaticContact CD1-CD2 3.92Å; Y85-Y241 HydrophobicContact CD1-CD2 3.92Å; Y85-Y241 AromaticContact CD1-CE2 3.91Å; Y85-Y241 HydrophobicContact CD1-CE2 3.91Å; Y85-Y241 AromaticContact CD2-CD2 3.72Å; Y85-Y241 HydrophobicContact CD2-CD2 3.72Å; Y85-Y241 HydrophobicContact CD2-CE2 4.16Å; Y85-Y241 HydrophobicContact CE1-CD2 4.35Å; Y85-Y241 AromaticContact CE1-CE2 3.94Å; Y85-Y241 HydrophobicContact CE1-CE2 3.94Å; Y85-Y241 HydrophobicContact CE2-CD2 4.17Å; Y85-Y241 HydrophobicContact CE2-CE2 4.19Å; Y85-Y241 AromaticContact CG-CD2 3.59Å; Y85-Y241 HydrophobicContact CG-CD2 3.59Å; Y85-Y241 HydrophobicContact CG-CE2 4.03Å; G234-Y241 CarbonylContact C-O 3.41Å; G234-Y241 WeakPolarHBondContact CA-O 3.45Å; G234-Y241 PolarHBondContact O-N 3.22Å; R236-Y241 HydrophobicContact CB-CG 4.11Å; R236-Y241 VanDerWaalsContact CZ-CZ 3.47Å; R236-Y241 PolarHBondContact NH1-OH 3.14Å; L239-Y241 PolarHBondContact O-N 3.48Å; Y241-S245 PolarHBondContact OH-OG 3.43Å
242	R	84.2	Confident	68.4	Low	172 Å²	172	92.5 Å²	92.5	65%	0.649	54%	0.543	S	S	*	.			trans	-98.4	116	176.6	-173.8	178.1	176.8	-178.7	-1.6	108.7	F231 G244	F231-R242 HydrophobicContact CD1-CB 4.14Å; R242-G244 PolarHBondContact O-N 3.39Å
243	E	65.3	Low	66.1	Low	179 Å²	179	97.1 Å²	97.1	84%	0.836	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	120.2	177.4	-152.1	156.1	-147.3	0	0	109.3
244	G	60.9	Low	64.1	Low	78 Å²	78	100.1 Å²	100.1	80%	0.804	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.5	-2.4	-178.2	0	0	0	0	0	117.1	R242	R242-G244 PolarHBondContact O-N 3.39Å
245	S	53.9	Low	61.4	Low	71 Å²	71	108 Å²	108	50%	0.497	58%	0.584	S	S	.	*			trans	-97.2	38.6	179	65.2	0	0	0	0	114	Y241	Y241-S245 PolarHBondContact OH-OG 3.43Å
246	E	45.3	Very low	58.7	Low	169 Å²	169	113 Å²	113	79%	0.79	60%	0.6	S	S	*	*			trans	-106.6	84.8	166.6	-71.3	-165	-179.2	0	0	109
247	G	38.3	Very low	55.7	Low	58 Å²	58	118.5 Å²	118.5	60%	0.598	63%	0.63	S	S	*	*			trans	-128.6	134.7	158	0	0	0	0	0	107.3	Y249	G247-Y249 PolarHBondContact O-N 3.47Å
248	P	42.3	Very low	52.6	Low	130 Å²	130	117.4 Å²	117.4	84%	0.844	63%	0.632	S	S	*	*			trans	-57.4	139.6	171.2	-16.4	28.8	0	0	0	109.4	S250	P248-S250 PolarHBondContact O-N 3.3Å
249	Y	40.4	Very low	49.6	Very low	143 Å²	143	121.7 Å²	121.7	56%	0.561	66%	0.655	S	S	*	*			trans	-38.4	114.2	171.8	-100.4	-94	0	0	0	111.4	M62 W88 G247	M62-Y249 HydrophobicContact CE-CD2 4.39Å; M62-Y249 HydrophobicContact CE-CE2 3.64Å; M62-Y249 HydrophobicContact SD-CE1 4.49Å; M62-Y249 HydrophobicContact SD-CE2 4.31Å; M62-Y249 PolarHBondContact SD-OH 2.84Å; W88-Y249 VanDerWaalsContact CB-OH 3.3Å; W88-Y249 WeakPolarHBondContact CB-OH 3.5Å; W88-Y249 VanDerWaalsContact CD1-OH 3.29Å; G247-Y249 PolarHBondContact O-N 3.47Å
250	S	29.8	Very low	46.3	Very low	85 Å²	85	130.4 Å²	130.4	59%	0.594	70%	0.696	S	S	*	*			trans	-113.9	127.2	162.3	-169.3	0	0	0	0	107.1	P248 H252	P248-S250 PolarHBondContact O-N 3.3Å; S250-H252 PolarHBondContact O-N 3.47Å
251	P	39.4	Very low	43.2	Very low	123 Å²	123	137 Å²	137	80%	0.799	74%	0.736	S	S	*	*			trans	-65.9	108.3	173.9	-9.3	23.8	0	0	0	108	E253	P251-E253 PolarHBondContact O-N 2.86Å
252	H	34.9	Very low	40.2	Very low	179 Å²	179	145 Å²	145	83%	0.829	77%	0.774	S	S	*	*			trans	-69.3	117	169.9	-80.9	-73.4	0	0	0	109.1	S250	S250-H252 PolarHBondContact O-N 3.47Å
253	E	30.4	Very low	37.5	Very low	169 Å²	169	147.8 Å²	147.8	79%	0.79	79%	0.785	S	S	*	*			trans	-57.7	145.6	159.5	-70	-171.5	151.1	0	0	109.5	P251 E255	P251-E253 PolarHBondContact O-N 2.86Å; E253-E255 PolarHBondContact O-N 2.87Å
254	P	33.9	Very low	35.6	Very low	129 Å²	129	148.5 Å²	148.5	84%	0.838	79%	0.788	S	S	*	*			trans	-71	101.6	178.5	28.1	-31.3	0	0	0	109.6	E256	P254-E256 PolarHBondContact O-N 2.82Å
255	E	31.4	Very low	33.9	Very low	184 Å²	184	156.6 Å²	156.6	86%	0.86	79%	0.794	S	S	*	*			trans	-67.8	128.7	167	-74.4	-176.1	168.7	0	0	109.8	E253 E257	E253-E255 PolarHBondContact O-N 2.87Å; E255-E257 PolarHBondContact O-N 2.92Å; E255-E257 VanDerWaalsContact O-N 3.1Å
256	E	35.4	Very low	32.7	Very low	180 Å²	180	158.6 Å²	158.6	84%	0.841	81%	0.808	S	S	*	*			trans	-62.6	102	171.7	-68.3	-177.9	144.1	0	0	110	P254 T258	P254-E256 PolarHBondContact O-N 2.82Å; E256-T258 PolarHBondContact O-N 3.39Å
257	E	29.4	Very low	31.9	Very low	196 Å²	196	160.4 Å²	160.4	92%	0.916	81%	0.814	S	S	*	*			trans	-75.9	95.5	164.5	-84	-167.8	163.1	0	0	109.8	E255	E255-E257 PolarHBondContact O-N 2.92Å; E255-E257 VanDerWaalsContact O-N 3.1Å
258	T	30.2	Very low	31.3	Very low	116 Å²	116	162.5 Å²	162.5	71%	0.712	83%	0.825	S	S	*	*			trans	-60.4	143.3	165.2	44.7	0	0	0	0	111	E256 E260	E256-T258 PolarHBondContact O-N 3.39Å; T258-E260 PolarHBondContact O-N 3.5Å
259	N	32	Very low	30.7	Very low	168 Å²	168	165.5 Å²	165.5	90%	0.898	83%	0.828	S	S	*	*			trans	-66	109.2	177	-69.7	-70.4	0	0	0	110.9
260	E	28.1	Very low	30	Very low	184 Å²	184	166.3 Å²	166.3	86%	0.86	84%	0.842	S	S	*	*			trans	-132.1	128.6	154.5	-71.5	-160.9	167.1	0	0	111.9	T258 E262	T258-E260 PolarHBondContact O-N 3.5Å; E260-E262 PolarHBondContact O-N 2.85Å
261	V	30.2	Very low	29.8	Very low	139 Å²	139	166.9 Å²	166.9	84%	0.842	85%	0.852	S	S	*	*			trans	-79.1	105.7	-179.7	174.1	0	0	0	0	108.5	R263	V261-R263 PolarHBondContact O-N 2.82Å
262	E	28.1	Very low	29.1	Very low	193 Å²	193	167.5 Å²	167.5	90%	0.902	85%	0.854	S	S	*	*			trans	-75.6	109.2	172.2	-135	-178.5	178.5	0	0	110.2	E260 Q264	E260-E262 PolarHBondContact O-N 2.85Å; E262-Q264 PolarHBondContact O-N 2.78Å
263	R	27	Very low	28.7	Very low	231 Å²	231	164 Å²	164	87%	0.872	86%	0.855	S	S	*	*			trans	-61.4	128.6	172.7	-90	176.7	170.5	-174.7	-2	110.2	V261 R265	V261-R263 PolarHBondContact O-N 2.82Å; R263-R265 PolarHBondContact O-N 3.34Å; R263-R265 VanDerWaalsContact O-N 3.12Å
264	Q	27.2	Very low	28.6	Very low	194 Å²	194	165.8 Å²	165.8	91%	0.907	86%	0.864	S	S	*	*			trans	-52.4	116.2	169.4	-74.1	-174.6	-31.8	0	0	111.6	E262 S266	E262-Q264 PolarHBondContact O-N 2.78Å; Q264-S266 PolarHBondContact O-N 2.92Å
265	R	25.3	Very low	28.3	Very low	247 Å²	247	163.4 Å²	163.4	93%	0.932	86%	0.863	S	S	*	*			trans	-79.1	99	166	-122.9	175.5	178.4	179.9	0.1	108.3	R263	R263-R265 PolarHBondContact O-N 3.34Å; R263-R265 VanDerWaalsContact O-N 3.12Å
266	S	28.6	Very low	28.1	Very low	113 Å²	113	166.4 Å²	166.4	79%	0.79	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-70.8	128.8	169.1	49.3	0	0	0	0	110.3	Q264 A268	Q264-S266 PolarHBondContact O-N 2.92Å; S266-A268 PolarHBondContact O-N 2.88Å
267	K	27.7	Very low	27.7	Very low	208 Å²	208	163.6 Å²	163.6	90%	0.904	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-50.6	125.3	175.9	-77.2	170.8	167.3	174.2	0	111.7
268	A	25.1	Very low	27.5	Very low	101 Å²	101	165.9 Å²	165.9	84%	0.835	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-71.9	121.9	163.1	0	0	0	0	0	109.1	S266	S266-A268 PolarHBondContact O-N 2.88Å
269	Q	30.2	Very low	27.2	Very low	193 Å²	193	166.3 Å²	166.3	90%	0.902	87%	0.867	S	S	*	*			trans	-113.2	127.2	154	-86	-175.8	-25.2	0	0	107.5
270	D	25.5	Very low	27.1	Very low	160 Å²	160	167.4 Å²	167.4	86%	0.856	87%	0.866	S	S	*	*			trans	-72.2	123.1	-177.3	-145.6	-7.9	0	0	0	109.9
271	A	26.8	Very low	26.9	Very low	98 Å²	98	164.2 Å²	164.2	81%	0.81	86%	0.864	S	S	*	*			trans	-160.2	102.6	160.1	0	0	0	0	0	109.3
272	T	24.7	Very low	27.3	Very low	136 Å²	136	163.7 Å²	163.7	83%	0.834	86%	0.863	S	S	*	*			trans	-71.6	127.6	171.3	30.4	0	0	0	0	111.5
273	A	25.9	Very low	27.2	Very low	104 Å²	104	160.6 Å²	160.6	86%	0.86	86%	0.863	S	S	*	*			trans	-168	134.6	145.9	0	0	0	0	0	111.4
274	Q	28	Very low	27.2	Very low	207 Å²	207	153 Å²	153	97%	0.967	86%	0.857	S	S	*	*			trans	-75.1	149	-173.6	-65.5	164.2	-32.3	0	0	113.7
275	G	27.3	Very low	27.2	Very low	79 Å²	79	149.2 Å²	149.2	81%	0.814	85%	0.852	S	S	*	*			trans	168.5	99.2	161.8	0	0	0	0	0	117
276	R	27.3	Very low	27.4	Very low	247 Å²	247	144.5 Å²	144.5	93%	0.932	85%	0.851	S	S	*	*			trans	-3.2	152	163.8	-79.9	174.6	170	176	-3.2	122.5
277	P	26.8	Very low	27.4	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	85%	0.848	S	S	*	*			trans	-87.4	147.3	-174.8	36.7	-33.3	0	0	0	113.5
278	R	25.3	Very low	27.5	Very low	244 Å²	244	138.3 Å²	138.3	92%	0.921	85%	0.845	S	S	*	*			trans	-136.1	122.1	157.7	-78.2	-170.9	176.8	-179.3	-0.7	110.9
279	T	24.2	Very low	27.9	Very low	126 Å²	126	140.4 Å²	140.4	77%	0.773	84%	0.842	S	S	*	*			trans	-63	141.8	166.2	33.2	0	0	0	0	111.5
280	H	29.3	Very low	28	Very low	190 Å²	190	138.9 Å²	138.9	88%	0.88	84%	0.84	S	S	*	*			trans	-163.7	124.6	140.3	-83.6	-46.7	0	0	0	110.4
281	S	24.6	Very low	28.4	Very low	117 Å²	117	136 Å²	136	82%	0.818	83%	0.832	S	S	*	*			trans	-94.1	-171.5	164.2	-51.5	0	0	0	0	109.5
282	P	38.7	Very low	29.2	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	83%	0.833	S	S	*	*				-117.2	159.2	-98.4	33.4	-14.8	0	0	0	113.5
283	S	25	Very low	29.9	Very low	128 Å²	128	140.8 Å²	140.8	90%	0.895	83%	0.826	S	S	*	*			trans	-165.7	141.8	160.5	63.8	0	0	0	0	108.2
284	G	27.3	Very low	31	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	81%	0.814	S	S	*	*			cis	-175.4	149	5	0	0	0	0	0	106.9
285	S	27.7	Very low	32.3	Very low	115 Å²	115	137 Å²	137	80%	0.804	79%	0.794	S	S	*	*			trans	-61.3	137.9	172.6	49.3	0	0	0	0	112.4
286	T	29.1	Very low	33.8	Very low	148 Å²	148	136.2 Å²	136.2	91%	0.908	77%	0.773	S	S	*	*			trans	-140.9	113.4	137.5	35.2	0	0	0	0	107.4
287	G	28.8	Very low	35.4	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	76%	0.76	S	S	*	*			trans	-101.3	150.3	168.4	0	0	0	0	0	109.6
288	S	29.7	Very low	37.2	Very low	120 Å²	120	126.2 Å²	126.2	84%	0.839	73%	0.733	S	S	*	*			trans	174.3	96.5	134.4	55.8	0	0	0	0	108.8
289	D	33.5	Very low	38.9	Very low	145 Å²	145	119.9 Å²	119.9	78%	0.775	72%	0.721	S	S	*	*			trans	-165.9	102.4	135.2	-138.6	-5.3	0	0	0	108.9
290	D	31.4	Very low	40.9	Very low	160 Å²	160	119.2 Å²	119.2	86%	0.856	71%	0.709	S	S	*	*			trans	-135.8	79.4	163.6	-94.2	-34.6	0	0	0	107.4	E292	D290-E292 VanDerWaalsContact C-N 3.3Å; D290-E292 PolarHBondContact O-N 2.84Å; D290-E292 VanDerWaalsContact O-N 3.08Å
291	S	35.8	Very low	42.6	Very low	99 Å²	99	113.2 Å²	113.2	69%	0.692	68%	0.681	S	S	*	*			trans	-62.6	99.9	150.9	-66.8	0	0	0	0	106.7	K293	S291-K293 VanDerWaalsContact C-N 3.34Å; S291-K293 PolarHBondContact O-N 2.84Å
292	E	42.3	Very low	44.7	Very low	176 Å²	176	108.7 Å²	108.7	82%	0.822	65%	0.648	S	S	*	*			trans	-49.8	96.8	174.2	-84.9	-175	147.7	0	0	110	D290 N294	D290-E292 VanDerWaalsContact C-N 3.3Å; D290-E292 PolarHBondContact O-N 2.84Å; D290-E292 VanDerWaalsContact O-N 3.08Å; E292-N294 PolarHBondContact O-N 3.42Å; E292-N294 VanDerWaalsContact O-N 3.12Å
293	K	40.2	Very low	46.2	Very low	159 Å²	159	103.1 Å²	103.1	69%	0.691	61%	0.612	S	S	*	*			trans	-63.8	115.8	167.4	-95.2	177.5	163.5	-163.2	0	107.6	S291 E295	S291-K293 VanDerWaalsContact C-N 3.34Å; S291-K293 PolarHBondContact O-N 2.84Å; K293-E295 HydrophobicContact CB-CG 4.22Å; K293-E295 WeakPolarHBondContact CD-OE1 3.18Å; K293-E295 IonicContact NZ-OE1 3.47Å; K293-E295 PolarHBondContact O-N 3.46Å
294	N	48.1	Very low	48.6	Very low	115 Å²	115	99 Å²	99	62%	0.615	58%	0.579	S	S	*	*			trans	-69.5	58.4	174.3	-83.5	-27.3	0	0	0	112	E292 R468	E292-N294 PolarHBondContact O-N 3.42Å; E292-N294 VanDerWaalsContact O-N 3.12Å; N294-R468 VanDerWaalsContact CA-CZ 3.44Å; N294-R468 VanDerWaalsContact CA-NH1 3.3Å; N294-R468 VanDerWaalsContact CB-NH1 3.33Å; N294-R468 PolarHBondContact OD1-NH1 2.94Å
295	E	55.3	Low	51.1	Low	118 Å²	118	101.6 Å²	101.6	55%	0.551	57%	0.574	S	S	*	*			trans	-88.2	132.8	-179.8	-75.3	175.6	-178.8	0	0	112.3	K293 I297 R468	K293-E295 HydrophobicContact CB-CG 4.22Å; K293-E295 WeakPolarHBondContact CD-OE1 3.18Å; K293-E295 IonicContact NZ-OE1 3.47Å; K293-E295 PolarHBondContact O-N 3.46Å; E295-I297 PolarHBondContact O-N 2.86Å; E295-R468 PolarHBondContact O-NH2 3.48Å
296	V	59.3	Low	53.9	Low	61 Å²	61	96.4 Å²	96.4	37%	0.37	54%	0.538	S	S	.	.			trans	-63.5	124.9	167	176.7	0	0	0	0	107.4	S298 G465 V466 A511	V296-S298 WeakPolarHBondContact CG1-O 3.32Å; V296-S298 PolarHBondContact O-N 3.48Å; V296-G465 WeakPolarHBondContact CG1-O 3.38Å; V296-V466 WeakPolarHBondContact CG1-O 3.07Å; V296-A511 HydrophobicContact CG1-CB 4.46Å
297	I	61.3	Low	56.7	Low	130 Å²	130	92.4 Å²	92.4	67%	0.667	52%	0.516	S	S	*	.	S	Bend	trans	-73.3	-31.7	-170.1	-60.7	166.3	0	0	0	111.1	E295 G465 N491	E295-I297 PolarHBondContact O-N 2.86Å; I297-G465 PolarHBondContact N-O 2.94Å; I297-N491 WeakPolarHBondContact CD1-OD1 3.49Å
298	S	63.9	Low	59.6	Low	29 Å²	29	89.9 Å²	89.9	20%	0.203	49%	0.487	C	S	.	.			trans	-105	113.2	176.2	-175.1	0	0	0	0	111.5	V296 G465 A511	V296-S298 WeakPolarHBondContact CG1-O 3.32Å; V296-S298 PolarHBondContact O-N 3.48Å; S298-G465 PolarHBondContact N-O 3.49Å; S298-A511 WeakPolarHBondContact O-CB 3.26Å
299	T	62.2	Low	62.4	Low	110 Å²	110	89.9 Å²	89.9	68%	0.675	47%	0.473	S	S	*	.			trans	-92.8	7	176.6	53.1	0	0	0	0	113.6	Q301	T299-Q301 PolarHBondContact O-N 2.83Å
300	Q	64.8	Low	64.9	Low	113 Å²	113	83.9 Å²	83.9	53%	0.528	44%	0.442	S	S	.	.			trans	-71.1	112.5	-179.7	-67.3	-174.8	1.7	0	0	110.7	F510 A511	Q300-F510 HydrophobicContact CB-CD1 4.32Å; Q300-A511 PolarHBondContact O-N 2.87Å
301	Q	66.2	Low	67.6	Low	63 Å²	63	81.8 Å²	81.8	29%	0.294	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-91.6	147.6	174.8	-66.2	175.1	-46.6	0	0	111.2	T299 V513	T299-Q301 PolarHBondContact O-N 2.83Å; Q301-V513 HydrophobicContact CG-CB 4.41Å; Q301-V513 HydrophobicContact CG-CG2 4.05Å; Q301-V513 PolarHBondContact NE2-O 3.06Å
302	M	68.6	Low	69.7	Low	23 Å²	23	77.1 Å²	77.1	11%	0.113	39%	0.389	C	S	.	.	S	Bend	trans	-79	-29.9	172.3	-172.5	177.5	74	0	0	111.8	R323 D475 M477 F510	M302-R323 HydrophobicContact CE-CB 3.89Å; M302-R323 HydrophobicContact CE-CG 4.34Å; M302-D475 HydrophobicContact CB-CB 3.89Å; M302-D475 HydrophobicContact CE-CB 3.62Å; M302-D475 HydrophobicContact SD-CB 3.96Å; M302-M477 HydrophobicContact SD-CB 3.93Å; M302-M477 HydrophobicContact SD-CG 4.41Å; M302-F510 HydrophobicContact CB-CB 3.75Å; M302-F510 HydrophobicContact CB-CD1 4.37Å; M302-F510 HydrophobicContact CB-CD2 3.82Å; M302-F510 HydrophobicContact CB-CG 3.72Å; M302-F510 HydrophobicContact CG-CD2 4.1Å; M302-F510 HydrophobicContact CG-CE2 4.45Å; M302-F510 HydrophobicContact CG-CG 4.48Å; M302-F510 HydrophobicContact SD-CD2 4.36Å
303	S	69.7	Low	71.3	Confident	11 Å²	11	77 Å²	77	8%	0.077	38%	0.381	C	S	.	.	S	Bend	trans	-75	145.6	179.2	50.2	0	0	0	0	112.1	R323 W365	S303-R323 WeakPolarHBondContact CA-O 3.5Å; S303-W365 WeakPolarHBondContact OG-CZ3 3.15Å
304	Q	75.3	Confident	72.8	Confident	42 Å²	42	73.8 Å²	73.8	20%	0.196	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.3	165.1	-73.7	161.2	63	0	0	108.9	V306 C321 R323 Y324 E325	Q304-V306 HydrophobicContact CB-CG1 4.33Å; Q304-V306 PolarHBondContact O-N 2.84Å; Q304-C321 PolarHBondContact NE2-SG 3.21Å; Q304-R323 PolarHBondContact N-O 2.99Å; Q304-Y324 HydrophobicContact CB-CD1 3.96Å; Q304-Y324 HydrophobicContact CB-CE1 4.19Å; Q304-E325 PolarHBondContact O-N 3.11Å
305	I	80.9	Confident	73.6	Confident	125 Å²	125	71.4 Å²	71.4	64%	0.641	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.2	168	-59.3	168.3	0	0	0	107.1
306	V	85.4	Confident	73.8	Confident	7 Å²	7	68 Å²	68	4%	0.042	35%	0.345	C	S	.	.			trans	-125	149.6	-175.9	-71.1	0	0	0	0	111.2	Q304 V310 Q315 Y324 E325 P327	Q304-V306 HydrophobicContact CB-CG1 4.33Å; Q304-V306 PolarHBondContact O-N 2.84Å; V306-V310 HydrophobicContact CB-CB 4Å; V306-V310 HydrophobicContact CB-CG1 4.14Å; V306-V310 HydrophobicContact CB-CG2 3.97Å; V306-V310 HydrophobicContact CG1-CB 4.34Å; V306-V310 HydrophobicContact CG1-CG1 3.93Å; V306-V310 HydrophobicContact CG1-CG2 4.36Å; V306-Q315 HydrophobicContact CG1-CG 4.38Å; V306-Y324 HydrophobicContact CG1-CD1 3.6Å; V306-Y324 HydrophobicContact CG1-CE1 4.15Å; V306-Y324 HydrophobicContact CG2-CD1 4.32Å; V306-E325 VanDerWaalsContact CG2-O 3.32Å; V306-E325 WeakPolarHBondContact CG2-O 3.33Å; V306-E325 PolarHBondContact N-O 2.95Å; V306-E325 VanDerWaalsContact N-O 3.07Å; V306-P327 WeakPolarHBondContact O-CD 3.42Å
307	S	88.8	Confident	73.2	Confident	64 Å²	64	74.8 Å²	74.8	45%	0.448	37%	0.37	S	S	.	.			trans	-80.6	161.1	169.4	77	0	0	0	0	111.1	E309 V310	S307-E309 PolarHBondContact O-N 2.98Å; S307-V310 WeakPolarHBondContact O-CB 3.44Å; S307-V310 WeakPolarHBondContact O-CG2 3.32Å; S307-V310 PolarHBondContact O-N 2.89Å; S307-V310 WeakPolarHBondContact OG-CG2 3.31Å
308	C	88.9	Confident	72.5	Confident	18 Å²	18	70.4 Å²	70.4	12%	0.122	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.4	179	-57.6	0	0	0	0	114.2	C330 S348	C308-C330 VanDerWaalsContact CA-SG 3.51Å; C308-C330 HydrophobicContact CB-CB 3.64Å; C308-C330 WeakPolarHBondContact CB-SG 3.3Å; C308-C330 WeakPolarHBondContact SG-CA 2.93Å; C308-C330 WeakPolarHBondContact SG-CB 3.38Å; C308-C330 CovalentContact SG-SG 2.03Å; C308-C330 PolarHBondContact SG-SG 3.09Å; C308-S348 WeakPolarHBondContact O-CB 3.15Å; C308-S348 PolarHBondContact O-OG 3.37Å
309	E	87.7	Confident	71.7	Confident	120 Å²	120	73.4 Å²	73.4	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-13.5	-178.2	-58.2	-168.1	161.1	0	0	113.7	S307 R311	S307-E309 PolarHBondContact O-N 2.98Å; E309-R311 PolarHBondContact O-N 2.85Å
310	V	87.3	Confident	71	Confident	19 Å²	19	71.1 Å²	71.1	12%	0.115	36%	0.36	C	S	.	.			trans	-63.2	124.1	-176.8	173.5	0	0	0	0	110.9	V306 S307 Q315 S348 I349	V306-V310 HydrophobicContact CB-CB 4Å; V306-V310 HydrophobicContact CB-CG1 4.14Å; V306-V310 HydrophobicContact CB-CG2 3.97Å; V306-V310 HydrophobicContact CG1-CB 4.34Å; V306-V310 HydrophobicContact CG1-CG1 3.93Å; V306-V310 HydrophobicContact CG1-CG2 4.36Å; S307-V310 WeakPolarHBondContact O-CB 3.44Å; S307-V310 WeakPolarHBondContact O-CG2 3.32Å; S307-V310 PolarHBondContact O-N 2.89Å; S307-V310 WeakPolarHBondContact OG-CG2 3.31Å; V310-Q315 HydrophobicContact CG1-CB 4.33Å; V310-Q315 HydrophobicContact CG1-CG 3.32Å; V310-S348 WeakPolarHBondContact O-CA 3.36Å; V310-I349 HydrophobicContact CG1-CD1 4.26Å; V310-I349 PolarHBondContact O-N 3.24Å; V310-I349 VanDerWaalsContact O-N 3.1Å
311	R	88.3	Confident	70.9	Confident	116 Å²	116	66.1 Å²	66.1	44%	0.438	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-94.7	153.8	175.7	-49	166.9	-171.8	173.9	3.2	109.8	E309 R313 D314 Q315 Q346 S347	E309-R311 PolarHBondContact O-N 2.85Å; R311-R313 PolarHBondContact O-N 3.49Å; R311-D314 HydrophobicContact CB-CB 4.45Å; R311-D314 VanDerWaalsContact CB-OD2 3.26Å; R311-D314 WeakPolarHBondContact CB-OD2 3.27Å; R311-D314 VanDerWaalsContact CD-OD2 3.3Å; R311-D314 WeakPolarHBondContact CD-OD2 3.12Å; R311-D314 VanDerWaalsContact CG-OD2 3.29Å; R311-D314 WeakPolarHBondContact CG-OD2 3.32Å; R311-D314 PolarHBondContact N-OD2 2.93Å; R311-D314 IonicContact NE-OD2 3.41Å; R311-D314 WeakPolarHBondContact O-CB 3.34Å; R311-D314 PolarHBondContact O-N 2.85Å; R311-Q315 PolarHBondContact O-N 3.1Å; R311-Q346 VanDerWaalsContact CD-O 3.23Å; R311-Q346 WeakPolarHBondContact CD-O 3.17Å; R311-Q346 VanDerWaalsContact CG-O 3.31Å; R311-Q346 WeakPolarHBondContact CG-O 3.07Å; R311-S347 WeakPolarHBondContact CA-O 3.48Å
312	L	79.8	Confident	71.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.6	178.5	-168.4	64.5	0	0	0	113.2	D314 Q315 Y324 M345 S347 I349 V368 R370 F397	L312-D314 VanDerWaalsContact C-N 3.27Å; L312-Q315 VanDerWaalsContact O-O 3.09Å; L312-Y324 HydrophobicContact CD1-CE2 3.93Å; L312-Y324 WeakPolarHBondContact CD1-OH 3.43Å; L312-M345 HydrophobicContact CB-CE 4.1Å; L312-M345 HydrophobicContact CD2-CE 3.6Å; L312-M345 HydrophobicContact CD2-SD 3.68Å; L312-M345 HydrophobicContact CG-CE 3.61Å; L312-M345 HydrophobicContact CG-SD 4.29Å; L312-M345 PolarHBondContact N-O 3.02Å; L312-S347 PolarHBondContact N-O 3.29Å; L312-I349 HydrophobicContact CB-CD1 4.35Å; L312-I349 HydrophobicContact CB-CG1 4.03Å; L312-I349 HydrophobicContact CD1-CD1 3.76Å; L312-I349 HydrophobicContact CD1-CG1 4.12Å; L312-V368 HydrophobicContact CD1-CB 4.38Å; L312-V368 HydrophobicContact CD1-CG1 3.66Å; L312-V368 HydrophobicContact CD2-CG1 3.43Å; L312-V368 VanDerWaalsContact CD2-CG1 3.43Å; L312-V368 HydrophobicContact CG-CG1 4.2Å; L312-R370 HydrophobicContact CD2-CG 4.27Å; L312-F397 HydrophobicContact CB-CD1 4.01Å; L312-F397 HydrophobicContact CB-CE1 3.78Å; L312-F397 HydrophobicContact CB-CZ 4.21Å; L312-F397 HydrophobicContact CD2-CB 3.32Å; L312-F397 HydrophobicContact CD2-CD1 3.32Å; L312-F397 HydrophobicContact CD2-CD2 3.8Å; L312-F397 HydrophobicContact CD2-CE1 3.93Å; L312-F397 HydrophobicContact CD2-CE2 4.36Å; L312-F397 HydrophobicContact CD2-CG 3.22Å; L312-F397 HydrophobicContact CD2-CZ 4.42Å; L312-F397 HydrophobicContact CG-CD1 4.32Å; L312-F397 HydrophobicContact CG-CG 4.49Å
313	R	76.3	Confident	72.1	Confident	173 Å²	173	64 Å²	64	65%	0.653	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.4	172	-176.8	174.9	-179.5	162.2	-2.8	112.4	R311 Q315 M345	R311-R313 PolarHBondContact O-N 3.49Å; R313-Q315 VanDerWaalsContact C-N 3.33Å; R313-M345 HydrophobicContact CB-CB 4.22Å; R313-M345 WeakPolarHBondContact CB-O 3.4Å; R313-M345 PolarHBondContact N-O 2.74Å
314	D	71.9	Confident	72.9	Confident	92 Å²	92	63.5 Å²	63.5	49%	0.492	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-20.1	-173	-54.9	-20.5	0	0	0	111.2	R311 L312	R311-D314 HydrophobicContact CB-CB 4.45Å; R311-D314 VanDerWaalsContact CB-OD2 3.26Å; R311-D314 WeakPolarHBondContact CB-OD2 3.27Å; R311-D314 VanDerWaalsContact CD-OD2 3.3Å; R311-D314 WeakPolarHBondContact CD-OD2 3.12Å; R311-D314 VanDerWaalsContact CG-OD2 3.29Å; R311-D314 WeakPolarHBondContact CG-OD2 3.32Å; R311-D314 PolarHBondContact N-OD2 2.93Å; R311-D314 IonicContact NE-OD2 3.41Å; R311-D314 WeakPolarHBondContact O-CB 3.34Å; R311-D314 PolarHBondContact O-N 2.85Å; L312-D314 VanDerWaalsContact C-N 3.27Å
315	Q	64.2	Low	73.5	Confident	65 Å²	65	64 Å²	64	30%	0.304	33%	0.327	S	S	.	.	S	Bend	trans	-109.9	126.5	177.7	-71.1	-63.9	-6.3	0	0	113.9	V306 V310 R311 L312 R313 Y324 R370	V306-Q315 HydrophobicContact CG1-CG 4.38Å; V310-Q315 HydrophobicContact CG1-CB 4.33Å; V310-Q315 HydrophobicContact CG1-CG 3.32Å; R311-Q315 PolarHBondContact O-N 3.1Å; L312-Q315 VanDerWaalsContact O-O 3.09Å; R313-Q315 VanDerWaalsContact C-N 3.33Å; Q315-Y324 HydrophobicContact CB-CE1 4.05Å; Q315-Y324 HydrophobicContact CG-CE1 4.47Å; Q315-R370 PolarHBondContact O-NH2 3.34Å
316	C	59.2	Low	74	Confident	45 Å²	45	58.4 Å²	58.4	30%	0.304	30%	0.299	S	S	.	.			trans	40.7	128.4	159.8	-172.1	0	0	0	0	120.4	C321 R370	C316-C321 HydrophobicContact CB-CB 3.32Å; C316-C321 WeakPolarHBondContact CB-SG 3.46Å; C316-C321 WeakPolarHBondContact SG-CB 3.08Å; C316-C321 CovalentContact SG-SG 2Å; C316-C321 PolarHBondContact SG-SG 3.36Å; C316-R370 PolarHBondContact O-NH2 3.05Å
317	K	46.1	Very low	74.3	Confident	204 Å²	204	60.8 Å²	60.8	89%	0.887	32%	0.315	S	S	*	.	S	Bend	trans	-101.6	96.2	172.8	-63.7	177.7	-178.3	178.7	0	109.4
318	G	47.8	Very low	74.5	Confident	39 Å²	39	60.9 Å²	60.9	40%	0.402	32%	0.319	S	S	.	.	S	Bend	trans	168.8	170.8	176.5	0	0	0	0	0	113.8	T320	G318-T320 PolarHBondContact O-N 3.44Å
319	T	45.8	Very low	74.6	Confident	92 Å²	92	61.6 Å²	61.6	56%	0.564	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.4	176.7	50	0	0	0	0	113.5	C321 N322	T319-C321 VanDerWaalsContact C-N 3.26Å; T319-C321 PolarHBondContact O-N 3.01Å; T319-N322 PolarHBondContact O-ND2 3.12Å
320	T	49.1	Very low	74.8	Confident	62 Å²	62	56 Å²	56	38%	0.38	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	2	-176.7	67	0	0	0	0	114	G318 M477	G318-T320 PolarHBondContact O-N 3.44Å; T320-M477 WeakPolarHBondContact CA-SD 3.47Å; T320-M477 WeakPolarHBondContact CB-SD 3.39Å; T320-M477 HydrophobicContact CG2-CE 3.31Å; T320-M477 HydrophobicContact CG2-SD 3.32Å; T320-M477 WeakPolarHBondContact CG2-SD 3.23Å
321	C	62.3	Low	75	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.054	31%	0.313	C	S	.	.			trans	-123.3	40.3	-166	-65.4	0	0	0	0	111.8	Q304 C316 T319 Y324	Q304-C321 PolarHBondContact NE2-SG 3.21Å; C316-C321 HydrophobicContact CB-CB 3.32Å; C316-C321 WeakPolarHBondContact CB-SG 3.46Å; C316-C321 WeakPolarHBondContact SG-CB 3.08Å; C316-C321 CovalentContact SG-SG 2Å; C316-C321 PolarHBondContact SG-SG 3.36Å; T319-C321 VanDerWaalsContact C-N 3.26Å; T319-C321 PolarHBondContact O-N 3.01Å; C321-Y324 VanDerWaalsContact O-CE2 3.29Å; C321-Y324 WeakPolarHBondContact O-CE2 3.21Å; C321-Y324 VanDerWaalsContact O-CZ 3.26Å; C321-Y324 PolarHBondContact O-OH 2.85Å
322	N	75	Confident	74.9	Confident	37 Å²	37	58.8 Å²	58.8	20%	0.198	33%	0.326	C	S	.	.			trans	-104.3	-15.4	-175.5	-66.2	-18.3	0	0	0	112.8	T319 D367 V368 H425	T319-N322 PolarHBondContact O-ND2 3.12Å; N322-D367 CarbonylContact O-C 3.59Å; N322-D367 VanDerWaalsContact O-CA 3.28Å; N322-D367 WeakPolarHBondContact O-CA 2.97Å; N322-V368 PolarHBondContact O-N 2.96Å; N322-H425 VanDerWaalsContact CB-CE1 3.46Å; N322-H425 WeakPolarHBondContact CB-CE1 3.2Å
323	R	84	Confident	75.4	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.2	179.5	-175.4	162.3	-67.6	168.7	2.3	110.9	M302 S303 Q304 W365 D367 V402 C426 D475	M302-R323 HydrophobicContact CE-CB 3.89Å; M302-R323 HydrophobicContact CE-CG 4.34Å; S303-R323 WeakPolarHBondContact CA-O 3.5Å; Q304-R323 PolarHBondContact N-O 2.99Å; R323-W365 HydrophobicContact CG-CE3 4.36Å; R323-D367 WeakPolarHBondContact CB-OD1 3.4Å; R323-D367 WeakPolarHBondContact CG-OD1 3.38Å; R323-D367 IonicContact CZ-OD1 2.78Å; R323-D367 IonicContact CZ-OD2 3.61Å; R323-D367 IonicContact NE-OD1 2.81Å; R323-D367 PolarHBondContact NE-OD1 3.16Å; R323-D367 IonicContact NE-OD2 2.75Å; R323-D367 IonicContact NH2-OD1 3.68Å; R323-D367 PolarHBondContact NH2-OD1 3.28Å; R323-D367 IonicContact NH2-OD2 3.71Å; R323-D367 PolarHBondContact NH2-OD2 2.88Å; R323-V402 HydrophobicContact CG-CG2 4.37Å; R323-V402 VanDerWaalsContact CZ-CG1 3.43Å; R323-C426 PolarHBondContact NH2-O 3.01Å; R323-D475 IonicContact NH1-OD1 3.39Å; R323-D475 PolarHBondContact NH1-OD1 3.42Å; R323-D475 IonicContact NH1-OD2 3.87Å; R323-D475 PolarHBondContact NH1-OD2 3.37Å
324	Y	86.7	Confident	75.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.2	-177.4	-62.8	-82.9	0	0	0	110.9	Q304 V306 L312 Q315 C321 I349 W365 V366 V368	Q304-Y324 HydrophobicContact CB-CD1 3.96Å; Q304-Y324 HydrophobicContact CB-CE1 4.19Å; V306-Y324 HydrophobicContact CG1-CD1 3.6Å; V306-Y324 HydrophobicContact CG1-CE1 4.15Å; V306-Y324 HydrophobicContact CG2-CD1 4.32Å; L312-Y324 HydrophobicContact CD1-CE2 3.93Å; L312-Y324 WeakPolarHBondContact CD1-OH 3.43Å; Q315-Y324 HydrophobicContact CB-CE1 4.05Å; Q315-Y324 HydrophobicContact CG-CE1 4.47Å; C321-Y324 VanDerWaalsContact O-CE2 3.29Å; C321-Y324 WeakPolarHBondContact O-CE2 3.21Å; C321-Y324 VanDerWaalsContact O-CZ 3.26Å; C321-Y324 PolarHBondContact O-OH 2.85Å; Y324-I349 HydrophobicContact CD1-CD1 3.97Å; Y324-I349 HydrophobicContact CD2-CD1 4.04Å; Y324-I349 HydrophobicContact CD2-CG2 4.06Å; Y324-I349 HydrophobicContact CE1-CD1 3.79Å; Y324-I349 HydrophobicContact CE2-CD1 3.86Å; Y324-I349 HydrophobicContact CG-CD1 4.06Å; Y324-I349 HydrophobicContact CG-CG2 4.24Å; Y324-W365 WeakPolarHBondContact O-CA 3.27Å; Y324-V366 PolarHBondContact N-O 3.14Å; Y324-V366 PolarHBondContact O-N 3.12Å; Y324-V368 HydrophobicContact CD2-CB 4.22Å; Y324-V368 HydrophobicContact CD2-CG2 3.59Å; Y324-V368 HydrophobicContact CE2-CB 3.98Å; Y324-V368 HydrophobicContact CE2-CG2 3.76Å
325	E	88.6	Confident	76.7	Confident	54 Å²	54	57.1 Å²	57.1	25%	0.252	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.9	172.2	-174.6	177.4	-171.9	0	0	109.2	Q304 V306 W365	Q304-E325 PolarHBondContact O-N 3.11Å; V306-E325 VanDerWaalsContact CG2-O 3.32Å; V306-E325 WeakPolarHBondContact CG2-O 3.33Å; V306-E325 PolarHBondContact N-O 2.95Å; V306-E325 VanDerWaalsContact N-O 3.07Å; E325-W365 HydrophobicContact CB-CD2 4.39Å; E325-W365 HydrophobicContact CB-CE3 4.22Å; E325-W365 HydrophobicContact CB-CH2 4.33Å; E325-W365 HydrophobicContact CB-CZ2 4.47Å; E325-W365 HydrophobicContact CB-CZ3 4.27Å; E325-W365 HydrophobicContact CG-CD2 4.31Å; E325-W365 HydrophobicContact CG-CH2 4.28Å; E325-W365 HydrophobicContact CG-CZ2 3.98Å; E325-W365 WeakPolarHBondContact OE1-CZ2 3.48Å; E325-W365 WeakPolarHBondContact OE2-CH2 3.42Å; E325-W365 WeakPolarHBondContact OE2-CZ2 3.44Å
326	C	90.8	Very high	78	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.1	-177.1	-71.9	0	0	0	0	110.7	C350 L359 G363 G364	C326-C350 VanDerWaalsContact CA-SG 3.55Å; C326-C350 HydrophobicContact CB-CB 3.62Å; C326-C350 WeakPolarHBondContact CB-SG 3.39Å; C326-C350 WeakPolarHBondContact SG-CA 3.14Å; C326-C350 WeakPolarHBondContact SG-CB 3.33Å; C326-C350 CovalentContact SG-SG 2.03Å; C326-C350 PolarHBondContact SG-SG 3.41Å; C326-L359 HydrophobicContact CB-CD1 3.81Å; C326-G363 CarbonylContact O-C 3.6Å; C326-G363 WeakPolarHBondContact O-CA 3.47Å; C326-G364 WeakPolarHBondContact CB-O 3.45Å; C326-G364 PolarHBondContact N-O 3.03Å; C326-G364 PolarHBondContact O-N 2.8Å
327	P	92.8	Very high	79.7	Confident	58 Å²	58	58.5 Å²	58.5	38%	0.377	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-72.6	164.9	175.1	30.6	-36.6	0	0	0	111	V306 C330	V306-P327 WeakPolarHBondContact O-CD 3.42Å; P327-C330 PolarHBondContact O-SG 3.44Å
328	A	91.8	Very high	81.9	Confident	66 Å²	66	49.6 Å²	49.6	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	159.8	169.6	0	0	0	0	0	111.8	N361 E362	A328-N361 CarbonylContact C-O 3.52Å; A328-N361 VanDerWaalsContact CA-O 3.25Å; A328-N361 WeakPolarHBondContact CA-O 3.4Å; A328-N361 WeakPolarHBondContact CB-O 3.46Å; A328-E362 WeakPolarHBondContact CA-O 3.17Å; A328-E362 WeakPolarHBondContact CB-O 3.32Å
329	G	91.6	Very high	84	Confident	32 Å²	32	47.7 Å²	47.7	33%	0.33	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	14.7	173	0	0	0	0	0	115.1	L331 N361	G329-L331 PolarHBondContact O-N 3.34Å; G329-N361 WeakPolarHBondContact CA-OD1 3.01Å; G329-N361 PolarHBondContact N-O 3.37Å; G329-N361 PolarHBondContact N-OD1 3.01Å
330	C	91.7	Very high	85.9	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.014	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.1	-179.1	-66.5	0	0	0	0	114.8	C308 P327 S333 C350 I354 N361	C308-C330 VanDerWaalsContact CA-SG 3.51Å; C308-C330 HydrophobicContact CB-CB 3.64Å; C308-C330 WeakPolarHBondContact CB-SG 3.3Å; C308-C330 WeakPolarHBondContact SG-CA 2.93Å; C308-C330 WeakPolarHBondContact SG-CB 3.38Å; C308-C330 CovalentContact SG-SG 2.03Å; C308-C330 PolarHBondContact SG-SG 3.09Å; P327-C330 PolarHBondContact O-SG 3.44Å; C330-S333 WeakPolarHBondContact O-CB 3.45Å; C330-S333 PolarHBondContact O-N 3.18Å; C330-C350 HydrophobicContact CB-CB 4.2Å; C330-I354 HydrophobicContact CB-CD1 3.79Å; C330-N361 PolarHBondContact N-OD1 3.27Å; C330-N361 VanDerWaalsContact N-OD1 3.16Å
331	L	90.7	Very high	87.7	Confident	59 Å²	59	43.7 Å²	43.7	31%	0.309	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-42.2	176.3	-169.5	68.2	0	0	0	111.7	G329 S333 I354 N361 I385	G329-L331 PolarHBondContact O-N 3.34Å; L331-S333 VanDerWaalsContact C-N 3.28Å; L331-S333 PolarHBondContact O-N 2.84Å; L331-I354 HydrophobicContact CD1-CG2 4.26Å; L331-N361 HydrophobicContact CB-CB 4.41Å; L331-N361 WeakPolarHBondContact CB-OD1 3.45Å; L331-N361 PolarHBondContact N-OD1 2.93Å; L331-I385 HydrophobicContact CD1-CD1 3.95Å; L331-I385 HydrophobicContact CD1-CG1 3.57Å
332	D	87.4	Confident	88.9	Confident	136 Å²	136	46.1 Å²	46.1	73%	0.727	25%	0.253	S	S	*	.	S	Bend	trans	-81.9	-6	-176.7	-59.1	-46.7	0	0	0	113.5
333	S	89.1	Confident	89.7	Confident	18 Å²	18	44.3 Å²	44.3	13%	0.126	24%	0.244	C	C	.	.			trans	-60.6	141.4	178.4	176.9	0	0	0	0	111.5	C330 L331 A335 K351	C330-S333 WeakPolarHBondContact O-CB 3.45Å; C330-S333 PolarHBondContact O-N 3.18Å; L331-S333 VanDerWaalsContact C-N 3.28Å; L331-S333 PolarHBondContact O-N 2.84Å; S333-A335 PolarHBondContact O-N 2.92Å; S333-A335 VanDerWaalsContact O-N 3.16Å; S333-A335 WeakPolarHBondContact OG-CB 3.49Å; S333-A335 PolarHBondContact OG-N 3.01Å; S333-K351 PolarHBondContact O-NZ 2.88Å
334	K	87.6	Confident	90.1	Very high	196 Å²	196	44.7 Å²	44.7	85%	0.852	25%	0.246	S	C	*	.			trans	-73.3	-0	174.5	-63.9	-177.1	-177.1	176.6	0	113.6
335	A	88.6	Confident	90.2	Very high	16 Å²	16	46 Å²	46	13%	0.132	25%	0.252	C	S	.	.			trans	-61.6	146.7	-179.6	0	0	0	0	0	112.2	S333 K351	S333-A335 PolarHBondContact O-N 2.92Å; S333-A335 VanDerWaalsContact O-N 3.16Å; S333-A335 WeakPolarHBondContact OG-CB 3.49Å; S333-A335 PolarHBondContact OG-N 3.01Å; A335-K351 HydrophobicContact CB-CD 4.37Å; A335-K351 VanDerWaalsContact O-CD 3.26Å; A335-K351 WeakPolarHBondContact O-CD 3.25Å; A335-K351 PolarHBondContact O-NZ 3.28Å
336	K	92.2	Very high	90.2	Very high	137 Å²	137	46.7 Å²	46.7	60%	0.596	26%	0.255	S	S	*	.			trans	-92.2	145.9	-177.4	-62.6	-179.2	-176.8	-179.4	0	110.4	S347 S348 I388	K336-S347 WeakPolarHBondContact O-CA 3.49Å; K336-S348 PolarHBondContact O-N 3.32Å; K336-I388 HydrophobicContact CB-CD1 4.12Å; K336-I388 HydrophobicContact CD-CD1 3.96Å; K336-I388 HydrophobicContact CG-CD1 4.11Å
337	V	93.9	Very high	90.3	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	25%	0.254	C	S	.	.			trans	-120.5	124.1	169	177.1	0	0	0	0	107	Y343 K351 H355 I385 S387 I388	V337-Y343 HydrophobicContact CG1-CD1 3.57Å; V337-Y343 HydrophobicContact CG1-CE1 3.58Å; V337-K351 HydrophobicContact CG2-CB 3.65Å; V337-K351 HydrophobicContact CG2-CD 4.03Å; V337-K351 HydrophobicContact CG2-CG 3.62Å; V337-H355 HydrophobicContact CG1-CB 4.4Å; V337-I385 HydrophobicContact CB-CG2 4.36Å; V337-I385 HydrophobicContact CG2-CG2 4.13Å; V337-S387 CarbonylContact O-C 3.52Å; V337-S387 VanDerWaalsContact O-CA 3.28Å; V337-S387 WeakPolarHBondContact O-CA 3.2Å; V337-I388 PolarHBondContact O-N 3.44Å
338	I	92.8	Very high	90.3	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.082	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-117.9	118.8	-177.5	-52.2	171.9	0	0	0	107.8	Y343 E344 Q346 S347 F377 I388 K390	I338-Y343 CarbonylContact O-C 3.57Å; I338-Y343 VanDerWaalsContact O-CA 3.3Å; I338-Y343 WeakPolarHBondContact O-CA 3.26Å; I338-E344 HydrophobicContact CB-CB 3.97Å; I338-E344 VanDerWaalsContact CD1-OE2 3.29Å; I338-E344 WeakPolarHBondContact CD1-OE2 3.38Å; I338-E344 HydrophobicContact CG2-CB 4.08Å; I338-E344 WeakPolarHBondContact CG2-OE2 3.3Å; I338-E344 PolarHBondContact O-N 3.29Å; I338-Q346 HydrophobicContact CD1-CB 4.25Å; I338-S347 PolarHBondContact N-OG 2.81Å; I338-S347 PolarHBondContact O-OG 3.41Å; I338-F377 HydrophobicContact CG2-CB 4.39Å; I338-I388 CarbonylContact C-O 3.27Å; I338-I388 WeakPolarHBondContact CA-O 3.41Å; I338-I388 HydrophobicContact CG1-CB 4.25Å; I338-I388 WeakPolarHBondContact CG2-O 3.45Å; I338-K390 HydrophobicContact CG2-CB 3.82Å; I338-K390 HydrophobicContact CG2-CD 4.37Å
339	G	90.8	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	95.4	179.8	-177.2	0	0	0	0	0	115.3	Y343 I378 S387 I388	G339-Y343 WeakPolarHBondContact O-CE1 3.47Å; G339-I378 CarbonylContact C-O 3.51Å; G339-I378 VanDerWaalsContact C-O 3.27Å; G339-I378 WeakPolarHBondContact CA-O 3.46Å; G339-S387 WeakPolarHBondContact O-CB 3.42Å; G339-S387 PolarHBondContact O-OG 3.43Å; G339-I388 PolarHBondContact N-O 3.12Å
340	S	87.4	Confident	90.4	Very high	19 Å²	19	39 Å²	39	13%	0.133	20%	0.195	C	C	.	.	S	Bend	trans	-145.4	131.8	-175.5	-55.9	0	0	0	0	108	H342 I378 S380 S387	S340-H342 PolarHBondContact N-O 3.32Å; S340-H342 PolarHBondContact O-N 3.21Å; S340-I378 WeakPolarHBondContact CB-O 3.36Å; S340-I378 PolarHBondContact N-O 3.36Å; S340-I378 PolarHBondContact OG-O 3.23Å; S340-S380 WeakPolarHBondContact CB-OG 3.28Å; S340-S380 VanDerWaalsContact OG-CB 3.25Å; S340-S380 WeakPolarHBondContact OG-CB 3.28Å; S340-S380 PolarHBondContact OG-N 2.99Å; S340-S380 PolarHBondContact OG-OG 2.98Å; S340-S387 PolarHBondContact OG-OG 3.01Å
341	V	85.4	Confident	90.5	Very high	50 Å²	50	40.3 Å²	40.3	30%	0.303	20%	0.2	S	C	.	.	S	Bend	trans	66.2	-52.8	-169.8	179.9	0	0	0	0	112.9	Y356	V341-Y356 HydrophobicContact CB-CE2 4.25Å; V341-Y356 HydrophobicContact CG1-CE2 4.08Å; V341-Y356 HydrophobicContact CG2-CE2 4.29Å
342	H	88.9	Confident	90.6	Very high	59 Å²	59	37.5 Å²	37.5	27%	0.273	19%	0.185	S	C	.	.	S	Bend	trans	-104.9	123.9	169.8	-51.7	79.6	0	0	0	107.7	S340 K374 F377	S340-H342 PolarHBondContact N-O 3.32Å; S340-H342 PolarHBondContact O-N 3.21Å; H342-K374 WeakPolarHBondContact CD2-CE 3.48Å; H342-F377 WeakPolarHBondContact O-CD1 3.46Å
343	Y	91.4	Very high	90.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.2	-177.9	-59.8	-74.1	0	0	0	110.1	V337 I338 G339 S352 H355 Y356 S396 F397 V399	V337-Y343 HydrophobicContact CG1-CD1 3.57Å; V337-Y343 HydrophobicContact CG1-CE1 3.58Å; I338-Y343 CarbonylContact O-C 3.57Å; I338-Y343 VanDerWaalsContact O-CA 3.3Å; I338-Y343 WeakPolarHBondContact O-CA 3.26Å; G339-Y343 WeakPolarHBondContact O-CE1 3.47Å; Y343-S352 WeakPolarHBondContact CD1-OG 3.5Å; Y343-S352 VanDerWaalsContact CG-OG 3.32Å; Y343-S352 PolarHBondContact OH-O 3.4Å; Y343-H355 AromaticContact CE1-ND1 3.46Å; Y343-H355 WeakPolarHBondContact CE1-ND1 3.17Å; Y343-H355 AromaticContact CZ-ND1 3.57Å; Y343-H355 PolarHBondContact OH-ND1 3.27Å; Y343-Y356 HydrophobicContact CE2-CD2 4.01Å; Y343-Y356 WeakPolarHBondContact OH-CA 3.35Å; Y343-Y356 WeakPolarHBondContact OH-CB 3.28Å; Y343-Y356 PolarHBondContact OH-N 3.07Å; Y343-S396 CarbonylContact O-C 3.47Å; Y343-S396 WeakPolarHBondContact O-CA 3.41Å; Y343-F397 HydrophobicContact CD2-CE2 4.28Å; Y343-F397 HydrophobicContact CG-CE2 4.46Å; Y343-F397 HydrophobicContact CG-CZ 4.44Å; Y343-F397 PolarHBondContact N-O 3.05Å; Y343-F397 VanDerWaalsContact O-CD1 3.25Å; Y343-F397 WeakPolarHBondContact O-CD1 3.48Å; Y343-F397 PolarHBondContact O-N 2.04Å; Y343-V399 HydrophobicContact CD2-CG2 4.3Å; Y343-V399 HydrophobicContact CE2-CG2 3.8Å
344	E	92.7	Very high	91.2	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	145.3	173.5	-176.6	-178	-175.6	0	0	110	I338 Q346 S347 F377 K390 A394 F397	I338-E344 HydrophobicContact CB-CB 3.97Å; I338-E344 VanDerWaalsContact CD1-OE2 3.29Å; I338-E344 WeakPolarHBondContact CD1-OE2 3.38Å; I338-E344 HydrophobicContact CG2-CB 4.08Å; I338-E344 WeakPolarHBondContact CG2-OE2 3.3Å; I338-E344 PolarHBondContact O-N 3.29Å; E344-Q346 PolarHBondContact O-N 2.73Å; E344-S347 WeakPolarHBondContact O-CB 3.24Å; E344-S347 PolarHBondContact O-N 3.34Å; E344-S347 PolarHBondContact O-OG 3.29Å; E344-F377 HydrophobicContact CB-CD1 4.31Å; E344-F377 HydrophobicContact CB-CE1 3.96Å; E344-F377 HydrophobicContact CB-CE2 4.35Å; E344-F377 HydrophobicContact CB-CZ 3.97Å; E344-F377 HydrophobicContact CG-CZ 4.39Å; E344-K390 IonicContact OE1-NZ 3.62Å; E344-K390 PolarHBondContact OE1-NZ 3.23Å; E344-K390 WeakPolarHBondContact OE2-CD 3.39Å; E344-K390 IonicContact OE2-NZ 3.53Å; E344-K390 PolarHBondContact OE2-NZ 2.95Å; E344-K390 VanDerWaalsContact OE2-NZ 3.1Å; E344-A394 HydrophobicContact CG-CB 3.89Å; E344-A394 WeakPolarHBondContact OE1-CB 3.33Å; E344-F397 WeakPolarHBondContact O-CE1 3.3Å
345	M	87.6	Confident	91.5	Very high	27 Å²	27	21.3 Å²	21.3	13%	0.133	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-22.1	176.7	-59.9	-61.9	-64.2	0	0	115.9	L312 R313 S347 R370 N395 F397	L312-M345 HydrophobicContact CB-CE 4.1Å; L312-M345 HydrophobicContact CD2-CE 3.6Å; L312-M345 HydrophobicContact CD2-SD 3.68Å; L312-M345 HydrophobicContact CG-CE 3.61Å; L312-M345 HydrophobicContact CG-SD 4.29Å; L312-M345 PolarHBondContact N-O 3.02Å; R313-M345 HydrophobicContact CB-CB 4.22Å; R313-M345 WeakPolarHBondContact CB-O 3.4Å; R313-M345 PolarHBondContact N-O 2.74Å; M345-S347 VanDerWaalsContact C-N 3.28Å; M345-R370 HydrophobicContact CE-CG 4.36Å; M345-N395 HydrophobicContact CG-CB 3.53Å; M345-N395 WeakPolarHBondContact CG-O 3.27Å; M345-N395 PolarHBondContact N-O 2.86Å; M345-N395 HydrophobicContact SD-CB 4.43Å; M345-F397 HydrophobicContact SD-CB 4.31Å; M345-F397 HydrophobicContact SD-CD1 4.11Å
346	Q	89.6	Confident	91.7	Very high	69 Å²	69	25.1 Å²	25.1	32%	0.322	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.9	175.2	-68.4	-176.7	-18.1	0	0	113.7	R311 I338 E344	R311-Q346 VanDerWaalsContact CD-O 3.23Å; R311-Q346 WeakPolarHBondContact CD-O 3.17Å; R311-Q346 VanDerWaalsContact CG-O 3.31Å; R311-Q346 WeakPolarHBondContact CG-O 3.07Å; I338-Q346 HydrophobicContact CD1-CB 4.25Å; E344-Q346 PolarHBondContact O-N 2.73Å
347	S	91.8	Very high	91.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-77	146	177.6	-51.4	0	0	0	0	111.1	R311 L312 K336 I338 E344 M345 S352	R311-S347 WeakPolarHBondContact CA-O 3.48Å; L312-S347 PolarHBondContact N-O 3.29Å; K336-S347 WeakPolarHBondContact O-CA 3.49Å; I338-S347 PolarHBondContact N-OG 2.81Å; I338-S347 PolarHBondContact O-OG 3.41Å; E344-S347 WeakPolarHBondContact O-CB 3.24Å; E344-S347 PolarHBondContact O-N 3.34Å; E344-S347 PolarHBondContact O-OG 3.29Å; M345-S347 VanDerWaalsContact C-N 3.28Å; S347-S352 WeakPolarHBondContact CB-OG 3.4Å
348	S	93.4	Very high	91.5	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-64.6	132.9	170.5	155.5	0	0	0	0	111	C308 V310 K336 K351 S352	C308-S348 WeakPolarHBondContact O-CB 3.15Å; C308-S348 PolarHBondContact O-OG 3.37Å; V310-S348 WeakPolarHBondContact O-CA 3.36Å; K336-S348 PolarHBondContact O-N 3.32Å; S348-K351 WeakPolarHBondContact OG-CB 3.34Å; S348-K351 PolarHBondContact OG-N 3.41Å; S348-S352 WeakPolarHBondContact O-CB 3.47Å; S348-S352 PolarHBondContact O-N 2.89Å; S348-S352 PolarHBondContact O-OG 2.61Å
349	I	91.7	Very high	91.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-53	-177.6	-58.9	171.5	0	0	0	110.2	V310 L312 Y324 K351 S352 A353 V366 V368	V310-I349 HydrophobicContact CG1-CD1 4.26Å; V310-I349 PolarHBondContact O-N 3.24Å; V310-I349 VanDerWaalsContact O-N 3.1Å; L312-I349 HydrophobicContact CB-CD1 4.35Å; L312-I349 HydrophobicContact CB-CG1 4.03Å; L312-I349 HydrophobicContact CD1-CD1 3.76Å; L312-I349 HydrophobicContact CD1-CG1 4.12Å; Y324-I349 HydrophobicContact CD1-CD1 3.97Å; Y324-I349 HydrophobicContact CD2-CD1 4.04Å; Y324-I349 HydrophobicContact CD2-CG2 4.06Å; Y324-I349 HydrophobicContact CE1-CD1 3.79Å; Y324-I349 HydrophobicContact CE2-CD1 3.86Å; Y324-I349 HydrophobicContact CG-CD1 4.06Å; Y324-I349 HydrophobicContact CG-CG2 4.24Å; I349-K351 PolarHBondContact O-N 3.19Å; I349-S352 PolarHBondContact O-N 3.06Å; I349-A353 WeakPolarHBondContact O-CB 3.24Å; I349-A353 PolarHBondContact O-N 2.77Å; I349-V366 HydrophobicContact CG2-CG1 3.86Å; I349-V368 HydrophobicContact CG2-CG2 3.7Å
350	C	92.9	Very high	91.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-42.2	-176.8	-56.7	0	0	0	0	111.8	C326 C330 A353 I354	C326-C350 VanDerWaalsContact CA-SG 3.55Å; C326-C350 HydrophobicContact CB-CB 3.62Å; C326-C350 WeakPolarHBondContact CB-SG 3.39Å; C326-C350 WeakPolarHBondContact SG-CA 3.14Å; C326-C350 WeakPolarHBondContact SG-CB 3.33Å; C326-C350 CovalentContact SG-SG 2.03Å; C326-C350 PolarHBondContact SG-SG 3.41Å; C330-C350 HydrophobicContact CB-CB 4.2Å; C350-A353 WeakPolarHBondContact O-CB 3.28Å; C350-A353 PolarHBondContact O-N 3.05Å; C350-I354 WeakPolarHBondContact O-CG1 3.33Å; C350-I354 PolarHBondContact O-N 3.12Å
351	K	93.8	Very high	91.6	Very high	29 Å²	29	28.3 Å²	28.3	13%	0.126	15%	0.151	C	C	.	.	H	α-helix	trans	-71.3	-35	179.1	-157	170.7	179	179.1	0	111.8	S333 A335 V337 S348 I349 A353 I354 H355 I385	S333-K351 PolarHBondContact O-NZ 2.88Å; A335-K351 HydrophobicContact CB-CD 4.37Å; A335-K351 VanDerWaalsContact O-CD 3.26Å; A335-K351 WeakPolarHBondContact O-CD 3.25Å; A335-K351 PolarHBondContact O-NZ 3.28Å; V337-K351 HydrophobicContact CG2-CB 3.65Å; V337-K351 HydrophobicContact CG2-CD 4.03Å; V337-K351 HydrophobicContact CG2-CG 3.62Å; S348-K351 WeakPolarHBondContact OG-CB 3.34Å; S348-K351 PolarHBondContact OG-N 3.41Å; I349-K351 PolarHBondContact O-N 3.19Å; K351-A353 VanDerWaalsContact C-N 3.32Å; K351-I354 PolarHBondContact O-N 3Å; K351-H355 VanDerWaalsContact O-CB 3.28Å; K351-H355 WeakPolarHBondContact O-CB 3.44Å; K351-H355 PolarHBondContact O-N 3.49Å; K351-I385 HydrophobicContact CG-CD1 3.57Å; K351-I385 HydrophobicContact CG-CG1 4.19Å; K351-I385 HydrophobicContact CG-CG2 4.22Å; K351-I385 WeakPolarHBondContact O-CD1 3.31Å
352	S	94	Very high	91.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-36.9	169.7	-78.5	0	0	0	0	112.5	Y343 S347 S348 I349 Y356	Y343-S352 WeakPolarHBondContact CD1-OG 3.5Å; Y343-S352 VanDerWaalsContact CG-OG 3.32Å; Y343-S352 PolarHBondContact OH-O 3.4Å; S347-S352 WeakPolarHBondContact CB-OG 3.4Å; S348-S352 WeakPolarHBondContact O-CB 3.47Å; S348-S352 PolarHBondContact O-N 2.89Å; S348-S352 PolarHBondContact O-OG 2.61Å; I349-S352 PolarHBondContact O-N 3.06Å; S352-Y356 WeakPolarHBondContact O-CB 3.46Å; S352-Y356 PolarHBondContact O-N 2.77Å
353	A	93.8	Very high	91.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-42.4	177.2	0	0	0	0	0	112.4	I349 C350 K351 Y356 G357 I358 L359 V366	I349-A353 WeakPolarHBondContact O-CB 3.24Å; I349-A353 PolarHBondContact O-N 2.77Å; C350-A353 WeakPolarHBondContact O-CB 3.28Å; C350-A353 PolarHBondContact O-N 3.05Å; K351-A353 VanDerWaalsContact C-N 3.32Å; A353-Y356 PolarHBondContact O-N 3.25Å; A353-G357 PolarHBondContact O-N 3.39Å; A353-I358 PolarHBondContact O-N 2.92Å; A353-L359 HydrophobicContact CB-CB 4.28Å; A353-L359 HydrophobicContact CB-CD1 3.72Å; A353-L359 HydrophobicContact CB-CG 3.84Å; A353-V366 HydrophobicContact CB-CB 4.2Å; A353-V366 HydrophobicContact CB-CG1 4.42Å; A353-V366 HydrophobicContact CB-CG2 3.83Å
354	I	94.3	Very high	91.6	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.046	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-48.1	173	-61.4	168.2	0	0	0	110.4	C330 L331 C350 K351 Y356 G357 L359 D360 N383 I385	C330-I354 HydrophobicContact CB-CD1 3.79Å; L331-I354 HydrophobicContact CD1-CG2 4.26Å; C350-I354 WeakPolarHBondContact O-CG1 3.33Å; C350-I354 PolarHBondContact O-N 3.12Å; K351-I354 PolarHBondContact O-N 3Å; I354-Y356 PolarHBondContact O-N 3.15Å; I354-G357 WeakPolarHBondContact O-CA 3.46Å; I354-G357 PolarHBondContact O-N 3.25Å; I354-L359 WeakPolarHBondContact CA-O 3.27Å; I354-L359 HydrophobicContact CG1-CB 3.98Å; I354-D360 WeakPolarHBondContact CG1-O 3.31Å; I354-N383 HydrophobicContact CG2-CB 4.46Å; I354-N383 VanDerWaalsContact O-CB 3.23Å; I354-N383 WeakPolarHBondContact O-CB 3.38Å; I354-N383 PolarHBondContact O-ND2 2.85Å; I354-I385 HydrophobicContact CB-CD1 3.6Å; I354-I385 HydrophobicContact CG2-CD1 3.5Å
355	H	94	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-35.8	177.4	176.7	-86.4	0	0	0	112.2	V337 Y343 K351 S380 R382 N383 I385	V337-H355 HydrophobicContact CG1-CB 4.4Å; Y343-H355 AromaticContact CE1-ND1 3.46Å; Y343-H355 WeakPolarHBondContact CE1-ND1 3.17Å; Y343-H355 AromaticContact CZ-ND1 3.57Å; Y343-H355 PolarHBondContact OH-ND1 3.27Å; K351-H355 VanDerWaalsContact O-CB 3.28Å; K351-H355 WeakPolarHBondContact O-CB 3.44Å; K351-H355 PolarHBondContact O-N 3.49Å; H355-S380 PolarHBondContact CE1-OG 3.5Å; H355-S380 VanDerWaalsContact CE1-OG 3.22Å; H355-S380 PolarHBondContact NE2-OG 2.84Å; H355-R382 WeakPolarHBondContact O-CB 3.23Å; H355-N383 PolarHBondContact O-ND2 3.32Å; H355-I385 HydrophobicContact CB-CB 4.06Å; H355-I385 HydrophobicContact CB-CD1 4.09Å; H355-I385 HydrophobicContact CB-CG2 4.05Å; H355-I385 PolarHBondContact CD2-O 2.88Å; H355-I385 VanDerWaalsContact CD2-O 3.3Å
356	Y	93.5	Very high	91.4	Very high	97 Å²	97	33.4 Å²	33.4	38%	0.38	18%	0.177	S	C	.	.	H	α-helix	trans	-73	-31	174.6	-162.5	-87.9	0	0	0	112.7	V341 Y343 S352 A353 I354 I358 V399	V341-Y356 HydrophobicContact CB-CE2 4.25Å; V341-Y356 HydrophobicContact CG1-CE2 4.08Å; V341-Y356 HydrophobicContact CG2-CE2 4.29Å; Y343-Y356 HydrophobicContact CE2-CD2 4.01Å; Y343-Y356 WeakPolarHBondContact OH-CA 3.35Å; Y343-Y356 WeakPolarHBondContact OH-CB 3.28Å; Y343-Y356 PolarHBondContact OH-N 3.07Å; S352-Y356 WeakPolarHBondContact O-CB 3.46Å; S352-Y356 PolarHBondContact O-N 2.77Å; A353-Y356 PolarHBondContact O-N 3.25Å; I354-Y356 PolarHBondContact O-N 3.15Å; Y356-I358 HydrophobicContact CD1-CD1 3.49Å; Y356-I358 VanDerWaalsContact CD1-CD1 3.49Å; Y356-I358 HydrophobicContact CD1-CG1 3.78Å; Y356-I358 HydrophobicContact CE1-CD1 4.09Å; Y356-I358 HydrophobicContact CE1-CG1 4.4Å; Y356-I358 HydrophobicContact CG-CD1 4.08Å; Y356-V399 HydrophobicContact CD1-CG2 4.47Å; Y356-V399 HydrophobicContact CD2-CG2 4.16Å; Y356-V399 HydrophobicContact CG-CG2 3.86Å
357	G	90.6	Very high	91.2	Very high	46 Å²	46	30.4 Å²	30.4	47%	0.474	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	21.6	-178.2	0	0	0	0	0	114.2	A353 I354 N383	A353-G357 PolarHBondContact O-N 3.39Å; I354-G357 WeakPolarHBondContact O-CA 3.46Å; I354-G357 PolarHBondContact O-N 3.25Å; G357-N383 WeakPolarHBondContact CA-ND2 3.42Å; G357-N383 PolarHBondContact N-ND2 3.23Å; G357-N383 VanDerWaalsContact N-ND2 3.14Å
358	I	90.9	Very high	90.9	Very high	28 Å²	28	30.5 Å²	30.5	14%	0.144	16%	0.164	C	C	.	.	S	Bend	trans	-83.1	-37.5	173.8	-73.3	151.3	0	0	0	111	A353 Y356 V366 V399 K401	A353-I358 PolarHBondContact O-N 2.92Å; Y356-I358 HydrophobicContact CD1-CD1 3.49Å; Y356-I358 VanDerWaalsContact CD1-CD1 3.49Å; Y356-I358 HydrophobicContact CD1-CG1 3.78Å; Y356-I358 HydrophobicContact CE1-CD1 4.09Å; Y356-I358 HydrophobicContact CE1-CG1 4.4Å; Y356-I358 HydrophobicContact CG-CD1 4.08Å; I358-V366 HydrophobicContact CG2-CG2 4.41Å; I358-V399 HydrophobicContact CD1-CB 3.73Å; I358-V399 HydrophobicContact CD1-CG2 3.56Å; I358-V399 VanDerWaalsContact CD1-O 3.28Å; I358-V399 WeakPolarHBondContact CD1-O 3.17Å; I358-K401 HydrophobicContact CG1-CB 4.5Å; I358-K401 HydrophobicContact CG2-CB 3.87Å; I358-K401 HydrophobicContact CG2-CG 4.33Å
359	L	91.6	Very high	90.4	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.11	17%	0.168	C	C	.	.			trans	-115.2	154.9	177.5	-60.4	-176.4	0	0	0	109.7	C326 A353 I354 V366	C326-L359 HydrophobicContact CB-CD1 3.81Å; A353-L359 HydrophobicContact CB-CB 4.28Å; A353-L359 HydrophobicContact CB-CD1 3.72Å; A353-L359 HydrophobicContact CB-CG 3.84Å; I354-L359 WeakPolarHBondContact CA-O 3.27Å; I354-L359 HydrophobicContact CG1-CB 3.98Å; L359-V366 HydrophobicContact CD1-CB 4.26Å; L359-V366 HydrophobicContact CD1-CG1 4.42Å
360	D	90.2	Very high	89.9	Confident	85 Å²	85	35.8 Å²	35.8	46%	0.455	19%	0.185	S	C	.	.			trans	-103.3	-168.6	164.6	55.2	26.3	0	0	0	109.9	I354 E362 G363	I354-D360 WeakPolarHBondContact CG1-O 3.31Å; D360-E362 PolarHBondContact O-N 3.38Å; D360-E362 WeakPolarHBondContact OD1-CA 3.35Å; D360-E362 VanDerWaalsContact OD1-CB 3.25Å; D360-E362 WeakPolarHBondContact OD1-CB 3.29Å; D360-E362 PolarHBondContact OD1-N 2.97Å; D360-G363 PolarHBondContact O-N 3.1Å
361	N	91.3	Very high	89.1	Confident	62 Å²	62	38.7 Å²	38.7	33%	0.332	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3	178.6	-160.4	43.4	0	0	0	113.4	A328 G329 C330 L331 G363	A328-N361 CarbonylContact C-O 3.52Å; A328-N361 VanDerWaalsContact CA-O 3.25Å; A328-N361 WeakPolarHBondContact CA-O 3.4Å; A328-N361 WeakPolarHBondContact CB-O 3.46Å; G329-N361 WeakPolarHBondContact CA-OD1 3.01Å; G329-N361 PolarHBondContact N-O 3.37Å; G329-N361 PolarHBondContact N-OD1 3.01Å; C330-N361 PolarHBondContact N-OD1 3.27Å; C330-N361 VanDerWaalsContact N-OD1 3.16Å; L331-N361 HydrophobicContact CB-CB 4.41Å; L331-N361 WeakPolarHBondContact CB-OD1 3.45Å; L331-N361 PolarHBondContact N-OD1 2.93Å; N361-G363 VanDerWaalsContact C-N 3.26Å
362	E	89.9	Confident	88.3	Confident	161 Å²	161	39.8 Å²	39.8	75%	0.752	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.4	173	-52	-170.8	161.7	0	0	111.4	A328 D360	A328-E362 WeakPolarHBondContact CA-O 3.17Å; A328-E362 WeakPolarHBondContact CB-O 3.32Å; D360-E362 PolarHBondContact O-N 3.38Å; D360-E362 WeakPolarHBondContact OD1-CA 3.35Å; D360-E362 VanDerWaalsContact OD1-CB 3.25Å; D360-E362 WeakPolarHBondContact OD1-CB 3.29Å; D360-E362 PolarHBondContact OD1-N 2.97Å
363	G	87.8	Confident	87.7	Confident	13 Å²	13	47 Å²	47	13%	0.134	25%	0.246	C	C	.	.			trans	87.9	-156.3	178.1	0	0	0	0	0	112.3	C326 D360 N361	C326-G363 CarbonylContact O-C 3.6Å; C326-G363 WeakPolarHBondContact O-CA 3.47Å; D360-G363 PolarHBondContact O-N 3.1Å; N361-G363 VanDerWaalsContact C-N 3.26Å
364	G	87.4	Confident	87.1	Confident	20 Å²	20	50.8 Å²	50.8	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.9	-156	179.3	0	0	0	0	0	113.9	C326	C326-G364 WeakPolarHBondContact CB-O 3.45Å; C326-G364 PolarHBondContact N-O 3.03Å; C326-G364 PolarHBondContact O-N 2.8Å
365	W	87.1	Confident	86.2	Confident	60 Å²	60	56 Å²	56	23%	0.227	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.5	-161.4	-54.3	78	0	0	0	111.9	S303 R323 Y324 E325 V402	S303-W365 WeakPolarHBondContact OG-CZ3 3.15Å; R323-W365 HydrophobicContact CG-CE3 4.36Å; Y324-W365 WeakPolarHBondContact O-CA 3.27Å; E325-W365 HydrophobicContact CB-CD2 4.39Å; E325-W365 HydrophobicContact CB-CE3 4.22Å; E325-W365 HydrophobicContact CB-CH2 4.33Å; E325-W365 HydrophobicContact CB-CZ2 4.47Å; E325-W365 HydrophobicContact CB-CZ3 4.27Å; E325-W365 HydrophobicContact CG-CD2 4.31Å; E325-W365 HydrophobicContact CG-CH2 4.28Å; E325-W365 HydrophobicContact CG-CZ2 3.98Å; E325-W365 WeakPolarHBondContact OE1-CZ2 3.48Å; E325-W365 WeakPolarHBondContact OE2-CH2 3.42Å; E325-W365 WeakPolarHBondContact OE2-CZ2 3.44Å; W365-V402 HydrophobicContact CB-CB 4.27Å; W365-V402 HydrophobicContact CB-CG2 3.8Å
366	V	89.1	Confident	85.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.3	179.2	62.5	0	0	0	0	111.2	Y324 I349 A353 I358 L359 V399	Y324-V366 PolarHBondContact N-O 3.14Å; Y324-V366 PolarHBondContact O-N 3.12Å; I349-V366 HydrophobicContact CG2-CG1 3.86Å; A353-V366 HydrophobicContact CB-CB 4.2Å; A353-V366 HydrophobicContact CB-CG1 4.42Å; A353-V366 HydrophobicContact CB-CG2 3.83Å; I358-V366 HydrophobicContact CG2-CG2 4.41Å; L359-V366 HydrophobicContact CD1-CB 4.26Å; L359-V366 HydrophobicContact CD1-CG1 4.42Å; V366-V399 HydrophobicContact CG2-CB 3.8Å; V366-V399 HydrophobicContact CG2-CG1 3.89Å
367	D	86.8	Confident	85.3	Confident	6 Å²	6	58.4 Å²	58.4	3%	0.032	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.3	168.4	-77.6	-19.4	0	0	0	110	N322 R323 V399 S400 V402	N322-D367 CarbonylContact O-C 3.59Å; N322-D367 VanDerWaalsContact O-CA 3.28Å; N322-D367 WeakPolarHBondContact O-CA 2.97Å; R323-D367 WeakPolarHBondContact CB-OD1 3.4Å; R323-D367 WeakPolarHBondContact CG-OD1 3.38Å; R323-D367 IonicContact CZ-OD1 2.78Å; R323-D367 IonicContact CZ-OD2 3.61Å; R323-D367 IonicContact NE-OD1 2.81Å; R323-D367 PolarHBondContact NE-OD1 3.16Å; R323-D367 IonicContact NE-OD2 2.75Å; R323-D367 IonicContact NH2-OD1 3.68Å; R323-D367 PolarHBondContact NH2-OD1 3.28Å; R323-D367 IonicContact NH2-OD2 3.71Å; R323-D367 PolarHBondContact NH2-OD2 2.88Å; D367-V399 CarbonylContact O-C 3.54Å; D367-V399 VanDerWaalsContact O-CA 3.32Å; D367-V399 WeakPolarHBondContact O-CA 3.37Å; D367-S400 WeakPolarHBondContact CB-OG 3.19Å; D367-S400 PolarHBondContact N-O 3.35Å; D367-S400 PolarHBondContact O-N 2.97Å; D367-V402 HydrophobicContact CB-CG2 4.5Å
368	V	85.4	Confident	84.9	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.4	-177.1	178.7	0	0	0	0	109.1	L312 N322 Y324 I349 F397 T398 V399 H425	L312-V368 HydrophobicContact CD1-CB 4.38Å; L312-V368 HydrophobicContact CD1-CG1 3.66Å; L312-V368 HydrophobicContact CD2-CG1 3.43Å; L312-V368 VanDerWaalsContact CD2-CG1 3.43Å; L312-V368 HydrophobicContact CG-CG1 4.2Å; N322-V368 PolarHBondContact O-N 2.96Å; Y324-V368 HydrophobicContact CD2-CB 4.22Å; Y324-V368 HydrophobicContact CD2-CG2 3.59Å; Y324-V368 HydrophobicContact CE2-CB 3.98Å; Y324-V368 HydrophobicContact CE2-CG2 3.76Å; I349-V368 HydrophobicContact CG2-CG2 3.7Å; V368-F397 HydrophobicContact CG1-CB 4.1Å; V368-F397 HydrophobicContact CG1-CD2 3.73Å; V368-F397 HydrophobicContact CG1-CE2 4.45Å; V368-F397 HydrophobicContact CG1-CG 4.19Å; V368-T398 WeakPolarHBondContact CA-O 3.46Å; V368-V399 HydrophobicContact CG2-CG1 4.24Å; V368-H425 PolarHBondContact O-CE1 2.97Å; V368-H425 VanDerWaalsContact O-CE1 3.28Å; V368-H425 PolarHBondContact O-NE2 2.87Å
369	T	83	Confident	84.7	Confident	15 Å²	15	66.9 Å²	66.9	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.8	172.4	-53.2	0	0	0	0	109	Q371 F397 T398 A423 H425	T369-Q371 PolarHBondContact O-N 2.9Å; T369-F397 CarbonylContact O-C 3.54Å; T369-F397 VanDerWaalsContact O-CA 3.25Å; T369-F397 WeakPolarHBondContact O-CA 3.37Å; T369-F397 WeakPolarHBondContact O-CB 3.45Å; T369-T398 PolarHBondContact N-O 3.23Å; T369-T398 PolarHBondContact O-N 3.22Å; T369-A423 HydrophobicContact CG2-CB 3.71Å; T369-H425 PolarHBondContact OG1-CD2 3.39Å; T369-H425 PolarHBondContact OG1-NE2 2.97Å
370	R	81.8	Confident	84.5	Confident	96 Å²	96	67.3 Å²	67.3	36%	0.362	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129	168.7	-70.4	-178.4	174.2	177.6	-1.7	109	L312 Q315 C316 M345	L312-R370 HydrophobicContact CD2-CG 4.27Å; Q315-R370 PolarHBondContact O-NH2 3.34Å; C316-R370 PolarHBondContact O-NH2 3.05Å; M345-R370 HydrophobicContact CE-CG 4.36Å
371	Q	75.8	Confident	84.5	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	161.7	175.3	-65.1	-63.5	-20.8	0	0	108.7	T369 S396 T398	T369-Q371 PolarHBondContact O-N 2.9Å; Q371-S396 CarbonylContact C-O 3.56Å; Q371-S396 WeakPolarHBondContact CA-O 3.33Å; Q371-S396 VanDerWaalsContact CB-OG 3.26Å; Q371-S396 WeakPolarHBondContact CB-OG 2.97Å; Q371-S396 PolarHBondContact N-O 2.66Å; Q371-T398 HydrophobicContact CG-CG2 3.82Å; Q371-T398 PolarHBondContact NE2-OG1 3.04Å
372	G	75.3	Confident	84.4	Confident	52 Å²	52	73.2 Å²	73.2	54%	0.536	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-174.1	173.9	0	0	0	0	0	113.2	K374 S396	G372-K374 PolarHBondContact O-N 3.41Å; G372-S396 PolarHBondContact O-N 3.21Å; G372-S396 PolarHBondContact O-OG 3.31Å
373	R	81.8	Confident	84.4	Confident	152 Å²	152	69.8 Å²	69.8	57%	0.574	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.7	173.9	-74.7	179.5	73.6	128.4	-2.4	110.8	S393 A394 N395	R373-S393 PolarHBondContact NE-OG 2.87Å; R373-S393 PolarHBondContact NH2-O 2.98Å; R373-S393 VanDerWaalsContact NH2-O 3.15Å; R373-S393 PolarHBondContact NH2-OG 3.26Å; R373-A394 WeakPolarHBondContact CA-O 3.34Å; R373-N395 WeakPolarHBondContact CG-OD1 3.11Å
374	K	81.4	Confident	84.4	Confident	80 Å²	80	71.2 Å²	71.2	35%	0.348	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.6	166.8	-68.6	-69.8	-172.4	176.4	0	108.5	H342 G372 Y376 F377 S393 A394 S396	H342-K374 WeakPolarHBondContact CD2-CE 3.48Å; G372-K374 PolarHBondContact O-N 3.41Å; K374-Y376 VanDerWaalsContact C-N 3.34Å; K374-F377 HydrophobicContact CB-CE1 4.39Å; K374-F377 HydrophobicContact CB-CE2 4.32Å; K374-F377 HydrophobicContact CB-CZ 4.01Å; K374-S393 CarbonylContact O-C 3.39Å; K374-S393 WeakPolarHBondContact O-CA 3.4Å; K374-A394 PolarHBondContact N-O 2.83Å; K374-A394 PolarHBondContact O-N 3.46Å; K374-S396 VanDerWaalsContact CG-OG 3.27Å; K374-S396 WeakPolarHBondContact CG-OG 3.33Å
375	N	75.9	Confident	84.5	Confident	119 Å²	119	70.5 Å²	70.5	64%	0.636	34%	0.336	S	S	*	.	S	Bend	trans	-73.6	-28.2	-174.8	-65.4	-21	0	0	0	112.8	Q392 S393	N375-Q392 CarbonylContact O-C 3.56Å; N375-S393 PolarHBondContact O-N 3.16Å
376	Y	78.3	Confident	84.8	Confident	141 Å²	141	74.8 Å²	74.8	55%	0.553	36%	0.359	S	S	*	.			trans	-153.3	160.1	178.1	60.8	-90.3	0	0	0	110.4	K374 I378 K390	K374-Y376 VanDerWaalsContact C-N 3.34Å; Y376-I378 HydrophobicContact CD2-CG1 3.93Å; Y376-I378 HydrophobicContact CE2-CD1 4.01Å; Y376-I378 HydrophobicContact CE2-CG1 3.8Å; Y376-K390 CarbonylContact C-O 3.56Å; Y376-K390 VanDerWaalsContact CA-O 3.25Å; Y376-K390 WeakPolarHBondContact CA-O 3.05Å
377	F	90.1	Very high	85	Confident	5 Å²	5	75 Å²	75	2%	0.022	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-126.2	121.7	180	-66.6	-92.5	0	0	0	108.3	I338 H342 E344 K374 G389 K390 A394	I338-F377 HydrophobicContact CG2-CB 4.39Å; H342-F377 WeakPolarHBondContact O-CD1 3.46Å; E344-F377 HydrophobicContact CB-CD1 4.31Å; E344-F377 HydrophobicContact CB-CE1 3.96Å; E344-F377 HydrophobicContact CB-CE2 4.35Å; E344-F377 HydrophobicContact CB-CZ 3.97Å; E344-F377 HydrophobicContact CG-CZ 4.39Å; K374-F377 HydrophobicContact CB-CE1 4.39Å; K374-F377 HydrophobicContact CB-CE2 4.32Å; K374-F377 HydrophobicContact CB-CZ 4.01Å; F377-G389 CarbonylContact O-C 3.54Å; F377-G389 VanDerWaalsContact O-CA 3.27Å; F377-G389 WeakPolarHBondContact O-CA 3.47Å; F377-K390 HydrophobicContact CB-CB 4.15Å; F377-K390 HydrophobicContact CD2-CB 4.19Å; F377-K390 PolarHBondContact N-O 2.92Å; F377-K390 PolarHBondContact O-N 2.8Å; F377-A394 HydrophobicContact CE2-CB 3.77Å; F377-A394 HydrophobicContact CZ-CB 4.21Å
378	I	81.6	Confident	85.3	Confident	108 Å²	108	78.5 Å²	78.5	55%	0.554	38%	0.378	S	S	*	.			trans	-83.6	133	-177.2	-54.1	174.1	0	0	0	108.9	G339 S340 Y376	G339-I378 CarbonylContact C-O 3.51Å; G339-I378 VanDerWaalsContact C-O 3.27Å; G339-I378 WeakPolarHBondContact CA-O 3.46Å; S340-I378 WeakPolarHBondContact CB-O 3.36Å; S340-I378 PolarHBondContact N-O 3.36Å; S340-I378 PolarHBondContact OG-O 3.23Å; Y376-I378 HydrophobicContact CD2-CG1 3.93Å; Y376-I378 HydrophobicContact CE2-CD1 4.01Å; Y376-I378 HydrophobicContact CE2-CG1 3.8Å
379	K	87.9	Confident	85.4	Confident	144 Å²	144	79.6 Å²	79.6	63%	0.626	39%	0.39	S	S	*	.			trans	-73.7	142.4	170.9	64.5	179.7	-176.5	178.1	0	111	S387	K379-S387 WeakPolarHBondContact CB-O 3.24Å
380	S	87.3	Confident	85.6	Confident	30 Å²	30	81 Å²	81	21%	0.21	40%	0.395	C	S	.	.			trans	-150.3	168.3	168.9	76	0	0	0	0	111	S340 H355 S387	S340-S380 WeakPolarHBondContact CB-OG 3.28Å; S340-S380 VanDerWaalsContact OG-CB 3.25Å; S340-S380 WeakPolarHBondContact OG-CB 3.28Å; S340-S380 PolarHBondContact OG-N 2.99Å; S340-S380 PolarHBondContact OG-OG 2.98Å; H355-S380 PolarHBondContact CE1-OG 3.5Å; H355-S380 VanDerWaalsContact CE1-OG 3.22Å; H355-S380 PolarHBondContact NE2-OG 2.84Å; S380-S387 PolarHBondContact N-OG 2.82Å; S380-S387 PolarHBondContact O-N 3.36Å; S380-S387 PolarHBondContact O-OG 2.77Å
381	Y	90.5	Very high	85.7	Confident	159 Å²	159	85.6 Å²	85.6	62%	0.624	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.8	170.9	-178.3	-100.5	0	0	0	108.1	G384 I385 Q386	Y381-G384 WeakPolarHBondContact OH-CA 3.32Å; Y381-I385 WeakPolarHBondContact CA-O 3.36Å; Y381-I385 WeakPolarHBondContact CD2-O 3.46Å; Y381-Q386 HydrophobicContact CD2-CB 3.86Å; Y381-Q386 HydrophobicContact CD2-CG 4.38Å; Y381-Q386 HydrophobicContact CE2-CB 4.48Å
382	R	88.8	Confident	86	Confident	112 Å²	112	89 Å²	89	42%	0.423	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.7	-178.2	-65.4	-174	-178.8	-160.6	-2.9	109.8	H355 G384 I385	H355-R382 WeakPolarHBondContact O-CB 3.23Å; R382-G384 VanDerWaalsContact C-N 3.26Å; R382-G384 PolarHBondContact O-N 3.32Å; R382-I385 PolarHBondContact N-O 2.8Å; R382-I385 PolarHBondContact O-N 3.28Å
383	N	90.4	Very high	86.3	Confident	90 Å²	90	88.6 Å²	88.6	48%	0.481	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	45.9	174.7	-53.4	-36.2	0	0	0	113.5	I354 H355 G357 I385	I354-N383 HydrophobicContact CG2-CB 4.46Å; I354-N383 VanDerWaalsContact O-CB 3.23Å; I354-N383 WeakPolarHBondContact O-CB 3.38Å; I354-N383 PolarHBondContact O-ND2 2.85Å; H355-N383 PolarHBondContact O-ND2 3.32Å; G357-N383 WeakPolarHBondContact CA-ND2 3.42Å; G357-N383 PolarHBondContact N-ND2 3.23Å; G357-N383 VanDerWaalsContact N-ND2 3.14Å; N383-I385 VanDerWaalsContact C-N 3.26Å; N383-I385 PolarHBondContact O-N 2.96Å
384	G	86.3	Confident	86.4	Confident	42 Å²	42	81.9 Å²	81.9	43%	0.433	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-2.6	178.7	0	0	0	0	0	115.6	Y381 R382	Y381-G384 WeakPolarHBondContact OH-CA 3.32Å; R382-G384 VanDerWaalsContact C-N 3.26Å; R382-G384 PolarHBondContact O-N 3.32Å
385	I	90.8	Very high	86.7	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.031	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.5	-175.2	-63.6	162	0	0	0	110.4	L331 V337 K351 I354 H355 Y381 R382 N383	L331-I385 HydrophobicContact CD1-CD1 3.95Å; L331-I385 HydrophobicContact CD1-CG1 3.57Å; V337-I385 HydrophobicContact CB-CG2 4.36Å; V337-I385 HydrophobicContact CG2-CG2 4.13Å; K351-I385 HydrophobicContact CG-CD1 3.57Å; K351-I385 HydrophobicContact CG-CG1 4.19Å; K351-I385 HydrophobicContact CG-CG2 4.22Å; K351-I385 WeakPolarHBondContact O-CD1 3.31Å; I354-I385 HydrophobicContact CB-CD1 3.6Å; I354-I385 HydrophobicContact CG2-CD1 3.5Å; H355-I385 HydrophobicContact CB-CB 4.06Å; H355-I385 HydrophobicContact CB-CD1 4.09Å; H355-I385 HydrophobicContact CB-CG2 4.05Å; H355-I385 PolarHBondContact CD2-O 2.88Å; H355-I385 VanDerWaalsContact CD2-O 3.3Å; Y381-I385 WeakPolarHBondContact CA-O 3.36Å; Y381-I385 WeakPolarHBondContact CD2-O 3.46Å; R382-I385 PolarHBondContact N-O 2.8Å; R382-I385 PolarHBondContact O-N 3.28Å; N383-I385 VanDerWaalsContact C-N 3.26Å; N383-I385 PolarHBondContact O-N 2.96Å
386	Q	91.8	Very high	87.3	Confident	149 Å²	149	76.6 Å²	76.6	70%	0.696	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.5	169.5	-164.5	172.8	23.7	0	0	110.3	Y381	Y381-Q386 HydrophobicContact CD2-CB 3.86Å; Y381-Q386 HydrophobicContact CD2-CG 4.38Å; Y381-Q386 HydrophobicContact CE2-CB 4.48Å
387	S	93.3	Very high	87.8	Confident	4 Å²	4	69.9 Å²	69.9	3%	0.028	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-88.7	154.6	173.2	79.2	0	0	0	0	112.6	V337 G339 S340 K379 S380	V337-S387 CarbonylContact O-C 3.52Å; V337-S387 VanDerWaalsContact O-CA 3.28Å; V337-S387 WeakPolarHBondContact O-CA 3.2Å; G339-S387 WeakPolarHBondContact O-CB 3.42Å; G339-S387 PolarHBondContact O-OG 3.43Å; S340-S387 PolarHBondContact OG-OG 3.01Å; K379-S387 WeakPolarHBondContact CB-O 3.24Å; S380-S387 PolarHBondContact N-OG 2.82Å; S380-S387 PolarHBondContact O-N 3.36Å; S380-S387 PolarHBondContact O-OG 2.77Å
388	I	93.4	Very high	87.8	Confident	80 Å²	80	71 Å²	71	41%	0.41	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-94.2	137.7	179.6	-56.6	171.8	0	0	0	108.7	K336 V337 I338 G339	K336-I388 HydrophobicContact CB-CD1 4.12Å; K336-I388 HydrophobicContact CD-CD1 3.96Å; K336-I388 HydrophobicContact CG-CD1 4.11Å; V337-I388 PolarHBondContact O-N 3.44Å; I338-I388 CarbonylContact C-O 3.27Å; I338-I388 WeakPolarHBondContact CA-O 3.41Å; I338-I388 HydrophobicContact CG1-CB 4.25Å; I338-I388 WeakPolarHBondContact CG2-O 3.45Å; G339-I388 PolarHBondContact N-O 3.12Å
389	G	88	Confident	88.2	Confident	25 Å²	25	66.1 Å²	66.1	26%	0.258	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-87.4	143.7	174.4	0	0	0	0	0	110.4	F377	F377-G389 CarbonylContact O-C 3.54Å; F377-G389 VanDerWaalsContact O-CA 3.27Å; F377-G389 WeakPolarHBondContact O-CA 3.47Å
390	K	87.4	Confident	88.2	Confident	45 Å²	45	61.2 Å²	61.2	20%	0.196	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-138.1	118.5	177.8	-175.3	174	-175.3	168	0	110.1	I338 E344 Y376 F377 Q392	I338-K390 HydrophobicContact CG2-CB 3.82Å; I338-K390 HydrophobicContact CG2-CD 4.37Å; E344-K390 IonicContact OE1-NZ 3.62Å; E344-K390 PolarHBondContact OE1-NZ 3.23Å; E344-K390 WeakPolarHBondContact OE2-CD 3.39Å; E344-K390 IonicContact OE2-NZ 3.53Å; E344-K390 PolarHBondContact OE2-NZ 2.95Å; E344-K390 VanDerWaalsContact OE2-NZ 3.1Å; Y376-K390 CarbonylContact C-O 3.56Å; Y376-K390 VanDerWaalsContact CA-O 3.25Å; Y376-K390 WeakPolarHBondContact CA-O 3.05Å; F377-K390 HydrophobicContact CB-CB 4.15Å; F377-K390 HydrophobicContact CD2-CB 4.19Å; F377-K390 PolarHBondContact N-O 2.92Å; F377-K390 PolarHBondContact O-N 2.8Å; K390-Q392 HydrophobicContact CG-CB 4.08Å; K390-Q392 PolarHBondContact O-N 3.21Å
391	Y	84.4	Confident	88.2	Confident	193 Å²	193	66.8 Å²	66.8	76%	0.757	33%	0.331	S	S	*	.			trans	-93.8	33.5	-179.8	-58.8	-81.2	0	0	0	112.3
392	Q	82.3	Confident	87.9	Confident	133 Å²	133	60 Å²	60	62%	0.621	31%	0.307	S	S	*	.	S	Bend	trans	-128.5	144.7	179.9	-68.3	177	-3.5	0	0	109.4	N375 K390 A394	N375-Q392 CarbonylContact O-C 3.56Å; K390-Q392 HydrophobicContact CG-CB 4.08Å; K390-Q392 PolarHBondContact O-N 3.21Å; Q392-A394 PolarHBondContact O-N 2.03Å
393	S	79.8	Confident	87.7	Confident	44 Å²	44	58.9 Å²	58.9	31%	0.308	31%	0.312	S	S	.	.			trans	-68.2	121.3	179.5	179.1	0	0	0	0	110.8	R373 K374 N375	R373-S393 PolarHBondContact NE-OG 2.87Å; R373-S393 PolarHBondContact NH2-O 2.98Å; R373-S393 VanDerWaalsContact NH2-O 3.15Å; R373-S393 PolarHBondContact NH2-OG 3.26Å; K374-S393 CarbonylContact O-C 3.39Å; K374-S393 WeakPolarHBondContact O-CA 3.4Å; N375-S393 PolarHBondContact O-N 3.16Å
394	A	85.3	Confident	87.5	Confident	10 Å²	10	58.7 Å²	58.7	8%	0.083	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.6	176.6	0	0	0	0	0	111.5	E344 R373 K374 F377 Q392	E344-A394 HydrophobicContact CG-CB 3.89Å; E344-A394 WeakPolarHBondContact OE1-CB 3.33Å; R373-A394 WeakPolarHBondContact CA-O 3.34Å; K374-A394 PolarHBondContact N-O 2.83Å; K374-A394 PolarHBondContact O-N 3.46Å; F377-A394 HydrophobicContact CE2-CB 3.77Å; F377-A394 HydrophobicContact CZ-CB 4.21Å; Q392-A394 PolarHBondContact O-N 2.03Å
395	N	86.8	Confident	87.6	Confident	88 Å²	88	61.1 Å²	61.1	47%	0.471	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.5	173.7	-70.5	-19.1	0	0	0	109.8	M345 R373	M345-N395 HydrophobicContact CG-CB 3.53Å; M345-N395 WeakPolarHBondContact CG-O 3.27Å; M345-N395 PolarHBondContact N-O 2.86Å; M345-N395 HydrophobicContact SD-CB 4.43Å; R373-N395 WeakPolarHBondContact CG-OD1 3.11Å
396	S	89	Confident	87.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	165	-176.1	65.8	0	0	0	0	111.9	Y343 Q371 G372 K374	Y343-S396 CarbonylContact O-C 3.47Å; Y343-S396 WeakPolarHBondContact O-CA 3.41Å; Q371-S396 CarbonylContact C-O 3.56Å; Q371-S396 WeakPolarHBondContact CA-O 3.33Å; Q371-S396 VanDerWaalsContact CB-OG 3.26Å; Q371-S396 WeakPolarHBondContact CB-OG 2.97Å; Q371-S396 PolarHBondContact N-O 2.66Å; G372-S396 PolarHBondContact O-N 3.21Å; G372-S396 PolarHBondContact O-OG 3.31Å; K374-S396 VanDerWaalsContact CG-OG 3.27Å; K374-S396 WeakPolarHBondContact CG-OG 3.33Å
397	F	89.8	Confident	87.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159	169.6	70.2	-92.6	0	0	0	110.4	L312 Y343 E344 M345 V368 T369 V399	L312-F397 HydrophobicContact CB-CD1 4.01Å; L312-F397 HydrophobicContact CB-CE1 3.78Å; L312-F397 HydrophobicContact CB-CZ 4.21Å; L312-F397 HydrophobicContact CD2-CB 3.32Å; L312-F397 HydrophobicContact CD2-CD1 3.32Å; L312-F397 HydrophobicContact CD2-CD2 3.8Å; L312-F397 HydrophobicContact CD2-CE1 3.93Å; L312-F397 HydrophobicContact CD2-CE2 4.36Å; L312-F397 HydrophobicContact CD2-CG 3.22Å; L312-F397 HydrophobicContact CD2-CZ 4.42Å; L312-F397 HydrophobicContact CG-CD1 4.32Å; L312-F397 HydrophobicContact CG-CG 4.49Å; Y343-F397 HydrophobicContact CD2-CE2 4.28Å; Y343-F397 HydrophobicContact CG-CE2 4.46Å; Y343-F397 HydrophobicContact CG-CZ 4.44Å; Y343-F397 PolarHBondContact N-O 3.05Å; Y343-F397 VanDerWaalsContact O-CD1 3.25Å; Y343-F397 WeakPolarHBondContact O-CD1 3.48Å; Y343-F397 PolarHBondContact O-N 2.04Å; E344-F397 WeakPolarHBondContact O-CE1 3.3Å; M345-F397 HydrophobicContact SD-CB 4.31Å; M345-F397 HydrophobicContact SD-CD1 4.11Å; V368-F397 HydrophobicContact CG1-CB 4.1Å; V368-F397 HydrophobicContact CG1-CD2 3.73Å; V368-F397 HydrophobicContact CG1-CE2 4.45Å; V368-F397 HydrophobicContact CG1-CG 4.19Å; T369-F397 CarbonylContact O-C 3.54Å; T369-F397 VanDerWaalsContact O-CA 3.25Å; T369-F397 WeakPolarHBondContact O-CA 3.37Å; T369-F397 WeakPolarHBondContact O-CB 3.45Å; F397-V399 HydrophobicContact CD2-CG1 4.16Å; F397-V399 HydrophobicContact CE2-CG1 3.84Å
398	T	89.6	Confident	87.4	Confident	28 Å²	28	61.9 Å²	61.9	17%	0.172	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.2	171.9	50.8	0	0	0	0	108.9	V368 T369 Q371	V368-T398 WeakPolarHBondContact CA-O 3.46Å; T369-T398 PolarHBondContact N-O 3.23Å; T369-T398 PolarHBondContact O-N 3.22Å; Q371-T398 HydrophobicContact CG-CG2 3.82Å; Q371-T398 PolarHBondContact NE2-OG1 3.04Å
399	V	90	Very high	87.2	Confident	6 Å²	6	59 Å²	59	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.8	175.1	-73.8	0	0	0	0	108.8	Y343 Y356 I358 V366 D367 V368 F397	Y343-V399 HydrophobicContact CD2-CG2 4.3Å; Y343-V399 HydrophobicContact CE2-CG2 3.8Å; Y356-V399 HydrophobicContact CD1-CG2 4.47Å; Y356-V399 HydrophobicContact CD2-CG2 4.16Å; Y356-V399 HydrophobicContact CG-CG2 3.86Å; I358-V399 HydrophobicContact CD1-CB 3.73Å; I358-V399 HydrophobicContact CD1-CG2 3.56Å; I358-V399 VanDerWaalsContact CD1-O 3.28Å; I358-V399 WeakPolarHBondContact CD1-O 3.17Å; V366-V399 HydrophobicContact CG2-CB 3.8Å; V366-V399 HydrophobicContact CG2-CG1 3.89Å; D367-V399 CarbonylContact O-C 3.54Å; D367-V399 VanDerWaalsContact O-CA 3.32Å; D367-V399 WeakPolarHBondContact O-CA 3.37Å; V368-V399 HydrophobicContact CG2-CG1 4.24Å; F397-V399 HydrophobicContact CD2-CG1 4.16Å; F397-V399 HydrophobicContact CE2-CG1 3.84Å
400	S	88.1	Confident	87.3	Confident	42 Å²	42	62.6 Å²	62.6	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.3	175.5	53.8	0	0	0	0	110.9	D367	D367-S400 WeakPolarHBondContact CB-OG 3.19Å; D367-S400 PolarHBondContact N-O 3.35Å; D367-S400 PolarHBondContact O-N 2.97Å
401	K	86.8	Confident	87.4	Confident	147 Å²	147	61.4 Å²	61.4	64%	0.639	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.2	173.6	-171.4	169.2	-178.6	171.7	0	110.1	I358 T403	I358-K401 HydrophobicContact CG1-CB 4.5Å; I358-K401 HydrophobicContact CG2-CB 3.87Å; I358-K401 HydrophobicContact CG2-CG 4.33Å; K401-T403 PolarHBondContact O-N 3.43Å
402	V	85.2	Confident	87.6	Confident	17 Å²	17	53 Å²	53	10%	0.103	30%	0.299	C	S	.	.			trans	-68.5	111.9	169.5	177.3	0	0	0	0	108.5	R323 W365 D367 R428	R323-V402 HydrophobicContact CG-CG2 4.37Å; R323-V402 VanDerWaalsContact CZ-CG1 3.43Å; W365-V402 HydrophobicContact CB-CB 4.27Å; W365-V402 HydrophobicContact CB-CG2 3.8Å; D367-V402 HydrophobicContact CB-CG2 4.5Å; V402-R428 HydrophobicContact CG1-CB 4Å
403	T	83.6	Confident	87.7	Confident	88 Å²	88	46.6 Å²	46.6	54%	0.54	27%	0.269	S	S	.	.			trans	-83.4	145.3	173.7	53.4	0	0	0	0	109.9	K401 P427 R428	K401-T403 PolarHBondContact O-N 3.43Å; T403-P427 CarbonylContact O-C 3.5Å; T403-P427 WeakPolarHBondContact O-CA 3.26Å; T403-P427 WeakPolarHBondContact OG1-CB 3.14Å; T403-R428 PolarHBondContact O-N 3.41Å
404	V	86	Confident	87.7	Confident	85 Å²	85	50.3 Å²	50.3	52%	0.515	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.4	174.8	178.9	0	0	0	0	108.1	R428 Y473	V404-R428 CarbonylContact C-O 3.41Å; V404-R428 VanDerWaalsContact CA-O 3.28Å; V404-R428 WeakPolarHBondContact CA-O 3.47Å; V404-R428 HydrophobicContact CG2-CB 4.21Å; V404-R428 HydrophobicContact CG2-CG 4.41Å; V404-Y473 HydrophobicContact CG1-CD1 4.28Å; V404-Y473 HydrophobicContact CG1-CE1 3.81Å
405	Q	88.6	Confident	87.4	Confident	93 Å²	93	56.6 Å²	56.6	44%	0.435	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.5	176.8	-172.8	164.9	-8.3	0	0	110.2	V407 L416 P427 R428 V429 Y430	Q405-V407 HydrophobicContact CG-CG1 4.39Å; Q405-L416 HydrophobicContact CG-CD1 4.09Å; Q405-L416 VanDerWaalsContact OE1-CD1 3.25Å; Q405-P427 HydrophobicContact CB-CB 3.96Å; Q405-P427 HydrophobicContact CB-CG 3.97Å; Q405-R428 PolarHBondContact N-O 3.18Å; Q405-V429 WeakPolarHBondContact O-CA 3.48Å; Q405-Y430 PolarHBondContact O-N 3.06Å
406	A	89.3	Confident	87.1	Confident	77 Å²	77	53.3 Å²	53.3	64%	0.636	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.1	170	0	0	0	0	0	109.5	Y430	A406-Y430 HydrophobicContact CB-CD1 4.35Å
407	V	90.8	Very high	86.4	Confident	16 Å²	16	53.5 Å²	53.5	10%	0.097	29%	0.293	C	S	.	.			trans	-126.5	168.2	-176	-59	0	0	0	0	111.1	Q405 T411 L416 V429 Y430 P432 C458	Q405-V407 HydrophobicContact CG-CG1 4.39Å; V407-T411 HydrophobicContact CB-CG2 3.97Å; V407-T411 HydrophobicContact CG1-CG2 3.95Å; V407-L416 HydrophobicContact CG1-CD1 4.08Å; V407-L416 HydrophobicContact CG1-CD2 4.15Å; V407-V429 HydrophobicContact CB-CG1 4.13Å; V407-V429 HydrophobicContact CG1-CG1 3.79Å; V407-V429 HydrophobicContact CG2-CG1 3.23Å; V407-Y430 PolarHBondContact N-O 2.82Å; V407-P432 VanDerWaalsContact O-CD 3.24Å; V407-P432 WeakPolarHBondContact O-CD 3.29Å; V407-C458 WeakPolarHBondContact CG2-SG 3.32Å
408	T	90.9	Very high	85	Confident	82 Å²	82	57 Å²	57	50%	0.503	32%	0.316	S	S	.	.			trans	-92.5	164.4	170.3	65.7	0	0	0	0	110.4	E410 T411	T408-E410 PolarHBondContact O-N 3.06Å; T408-T411 PolarHBondContact N-OG1 2.78Å; T408-T411 WeakPolarHBondContact O-CB 3.2Å; T408-T411 PolarHBondContact O-N 2.03Å; T408-T411 VanDerWaalsContact O-N 3.1Å; T408-T411 PolarHBondContact O-OG1 3.5Å; T408-T411 PolarHBondContact OG1-N 3.04Å; T408-T411 PolarHBondContact OG1-OG1 3.46Å
409	C	89.5	Confident	83.9	Confident	20 Å²	20	57.3 Å²	57.3	14%	0.135	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.8	175.9	-57.4	0	0	0	0	113.6	C435 A438 A443 S456	C409-C435 HydrophobicContact CB-CB 3.74Å; C409-C435 WeakPolarHBondContact CB-SG 2.99Å; C409-C435 WeakPolarHBondContact SG-CA 3.38Å; C409-C435 WeakPolarHBondContact SG-CB 3.49Å; C409-C435 CovalentContact SG-SG 2.05Å; C409-C435 PolarHBondContact SG-SG 3.31Å; C409-A438 HydrophobicContact CB-CB 3.75Å; C409-A443 VanDerWaalsContact O-CB 3.27Å; C409-A443 WeakPolarHBondContact O-CB 3.38Å; C409-S456 VanDerWaalsContact O-CB 3.32Å; C409-S456 WeakPolarHBondContact O-CB 3.35Å; C409-S456 PolarHBondContact O-OG 2.03Å
410	E	89.9	Confident	82.5	Confident	100 Å²	100	64 Å²	64	47%	0.467	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.8	179.2	-64.1	171.8	-171.8	0	0	112.6	T408 T412 A443	T408-E410 PolarHBondContact O-N 3.06Å; E410-T412 PolarHBondContact O-N 3.02Å; E410-A443 HydrophobicContact CG-CB 4.34Å
411	T	90.2	Very high	80.9	Confident	20 Å²	20	71.6 Å²	71.6	12%	0.123	37%	0.373	C	S	.	.			trans	-63.8	122.9	-176.5	-56.2	0	0	0	0	110.2	V407 T408 L416 I457	V407-T411 HydrophobicContact CB-CG2 3.97Å; V407-T411 HydrophobicContact CG1-CG2 3.95Å; T408-T411 PolarHBondContact N-OG1 2.78Å; T408-T411 WeakPolarHBondContact O-CB 3.2Å; T408-T411 PolarHBondContact O-N 2.03Å; T408-T411 VanDerWaalsContact O-N 3.1Å; T408-T411 PolarHBondContact O-OG1 3.5Å; T408-T411 PolarHBondContact OG1-N 3.04Å; T408-T411 PolarHBondContact OG1-OG1 3.46Å; T411-L416 HydrophobicContact CG2-CB 4.34Å; T411-I457 HydrophobicContact CG2-CD1 4.46Å; T411-I457 PolarHBondContact O-N 2.73Å; T411-I457 VanDerWaalsContact O-N 3.17Å
412	T	89.3	Confident	79.1	Confident	16 Å²	16	69.9 Å²	69.9	10%	0.098	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-97.1	163.9	177.8	67.5	0	0	0	0	111.1	E410 E414 Q415 L416 M454	E410-T412 PolarHBondContact O-N 3.02Å; T412-E414 VanDerWaalsContact C-N 3.32Å; T412-Q415 PolarHBondContact O-N 3.23Å; T412-L416 PolarHBondContact O-N 2.91Å; T412-M454 WeakPolarHBondContact CG2-O 3.48Å
413	V	82.8	Confident	77.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-69.1	-33.8	179.1	162.9	0	0	0	0	112	Q415 L416 C417 F419 D453 I457 V476 F507	V413-Q415 VanDerWaalsContact C-N 3.26Å; V413-Q415 PolarHBondContact O-N 2.98Å; V413-L416 PolarHBondContact O-N 2.87Å; V413-C417 PolarHBondContact O-N 3.16Å; V413-F419 HydrophobicContact CG1-CD2 4.42Å; V413-F419 HydrophobicContact CG1-CE1 4.26Å; V413-F419 HydrophobicContact CG1-CE2 3.14Å; V413-F419 HydrophobicContact CG1-CZ 3.03Å; V413-D453 HydrophobicContact CB-CB 4.48Å; V413-D453 HydrophobicContact CG1-CB 4.28Å; V413-D453 PolarHBondContact N-O 3.45Å; V413-I457 HydrophobicContact CB-CG1 4.43Å; V413-I457 HydrophobicContact CG2-CD1 3.78Å; V413-I457 HydrophobicContact CG2-CG1 3.32Å; V413-V476 HydrophobicContact CG2-CG1 3.89Å; V413-F507 HydrophobicContact CB-CD1 3.69Å; V413-F507 HydrophobicContact CB-CE1 3.76Å; V413-F507 HydrophobicContact CB-CG 4.26Å; V413-F507 HydrophobicContact CB-CZ 4.42Å; V413-F507 HydrophobicContact CG1-CB 4.26Å; V413-F507 HydrophobicContact CG1-CD1 3.9Å; V413-F507 HydrophobicContact CG1-CE1 4.45Å; V413-F507 HydrophobicContact CG1-CG 4.23Å; V413-F507 HydrophobicContact CG2-CB 4.32Å; V413-F507 HydrophobicContact CG2-CD1 3.37Å; V413-F507 HydrophobicContact CG2-CD2 3.78Å; V413-F507 HydrophobicContact CG2-CE1 3.31Å; V413-F507 HydrophobicContact CG2-CE2 3.76Å; V413-F507 HydrophobicContact CG2-CG 3.58Å; V413-F507 HydrophobicContact CG2-CZ 3.53Å
414	E	79.9	Confident	76.3	Confident	121 Å²	121	68.6 Å²	68.6	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-55.6	-41.2	174	-177.7	179.8	-164.1	0	0	112.5	T412 D453	T412-E414 VanDerWaalsContact C-N 3.32Å; E414-D453 PolarHBondContact N-O 3.15Å
415	Q	80.4	Confident	75.5	Confident	142 Å²	142	66.8 Å²	66.8	66%	0.664	36%	0.361	S	S	*	.	H	α-helix	trans	-75.8	-38.5	-179.3	-66.9	172.3	-13.3	0	0	112.6	T412 V413	T412-Q415 PolarHBondContact O-N 3.23Å; V413-Q415 VanDerWaalsContact C-N 3.26Å; V413-Q415 PolarHBondContact O-N 2.98Å
416	L	79.3	Confident	75.1	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-83.6	-33.6	-173	-168.5	69.1	0	0	0	112.6	Q405 V407 T411 T412 V413 P427 V429 I457	Q405-L416 HydrophobicContact CG-CD1 4.09Å; Q405-L416 VanDerWaalsContact OE1-CD1 3.25Å; V407-L416 HydrophobicContact CG1-CD1 4.08Å; V407-L416 HydrophobicContact CG1-CD2 4.15Å; T411-L416 HydrophobicContact CG2-CB 4.34Å; T412-L416 PolarHBondContact O-N 2.91Å; V413-L416 PolarHBondContact O-N 2.87Å; L416-P427 HydrophobicContact CD1-CG 4.18Å; L416-P427 HydrophobicContact CD2-CG 4.18Å; L416-P427 HydrophobicContact CG-CG 4.06Å; L416-V429 HydrophobicContact CD2-CG2 3.48Å; L416-V429 VanDerWaalsContact CD2-CG2 3.48Å; L416-I457 HydrophobicContact CB-CD1 4.19Å; L416-I457 HydrophobicContact CD2-CD1 3.48Å; L416-I457 VanDerWaalsContact CD2-CD1 3.48Å; L416-I457 HydrophobicContact CG-CD1 4.49Å
417	C	75	Confident	74.8	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.02	32%	0.316	C	S	.	.			trans	-131.7	99.3	-174	-56.6	0	0	0	0	110.3	V413 F419 C426	V413-C417 PolarHBondContact O-N 3.16Å; C417-F419 HydrophobicContact CB-CD1 3.72Å; C417-F419 HydrophobicContact CB-CD2 4.34Å; C417-F419 HydrophobicContact CB-CE1 3.37Å; C417-F419 HydrophobicContact CB-CE2 4.18Å; C417-F419 HydrophobicContact CB-CG 4.22Å; C417-F419 HydrophobicContact CB-CZ 3.71Å; C417-F419 WeakPolarHBondContact O-CD2 3.45Å; C417-F419 WeakPolarHBondContact O-CE2 3.44Å; C417-F419 WeakPolarHBondContact O-CG 3.12Å; C417-F419 PolarHBondContact O-N 2.86Å; C417-C426 HydrophobicContact CB-CB 4.45Å; C417-C426 WeakPolarHBondContact CB-SG 3.03Å; C417-C426 WeakPolarHBondContact SG-CA 3.39Å; C417-C426 WeakPolarHBondContact SG-CB 3.45Å; C417-C426 CovalentContact SG-SG 2.03Å; C417-C426 PolarHBondContact SG-SG 3.29Å
418	P	59.5	Low	74.7	Confident	75 Å²	75	59.9 Å²	59.9	49%	0.487	32%	0.315	S	S	.	.			trans	-67.8	-6.4	-179.9	22.2	-29.8	0	0	0	113.9	Q420 K505	P418-Q420 VanDerWaalsContact C-N 3.26Å; P418-Q420 PolarHBondContact O-N 2.98Å; P418-Q420 VanDerWaalsContact O-N 3.15Å; P418-K505 PolarHBondContact O-NZ 3.2Å
419	F	67.2	Low	74.7	Confident	33 Å²	33	56 Å²	56	15%	0.145	29%	0.291	C	S	.	.			trans	46.9	46.4	172.7	-53	-60.3	0	0	0	113.9	V413 C417 S424 C426 P478 K505	V413-F419 HydrophobicContact CG1-CD2 4.42Å; V413-F419 HydrophobicContact CG1-CE1 4.26Å; V413-F419 HydrophobicContact CG1-CE2 3.14Å; V413-F419 HydrophobicContact CG1-CZ 3.03Å; C417-F419 HydrophobicContact CB-CD1 3.72Å; C417-F419 HydrophobicContact CB-CD2 4.34Å; C417-F419 HydrophobicContact CB-CE1 3.37Å; C417-F419 HydrophobicContact CB-CE2 4.18Å; C417-F419 HydrophobicContact CB-CG 4.22Å; C417-F419 HydrophobicContact CB-CZ 3.71Å; C417-F419 WeakPolarHBondContact O-CD2 3.45Å; C417-F419 WeakPolarHBondContact O-CE2 3.44Å; C417-F419 WeakPolarHBondContact O-CG 3.12Å; C417-F419 PolarHBondContact O-N 2.86Å; F419-S424 WeakPolarHBondContact CA-OG 3.37Å; F419-S424 PolarHBondContact N-OG 2.92Å; F419-S424 VanDerWaalsContact N-OG 3.11Å; F419-C426 VanDerWaalsContact CE1-SG 3.58Å; F419-P478 HydrophobicContact CD1-CB 3.76Å; F419-P478 HydrophobicContact CD1-CG 4.1Å; F419-P478 HydrophobicContact CE1-CB 3.48Å; F419-P478 VanDerWaalsContact CE1-CB 3.48Å; F419-P478 HydrophobicContact CE1-CG 3.88Å; F419-P478 HydrophobicContact CZ-CB 4.04Å; F419-K505 HydrophobicContact CB-CD 3.63Å; F419-K505 HydrophobicContact CD2-CB 4.21Å; F419-K505 HydrophobicContact CD2-CD 3.29Å; F419-K505 HydrophobicContact CD2-CG 4.37Å; F419-K505 HydrophobicContact CE2-CB 4.27Å; F419-K505 HydrophobicContact CE2-CD 4.14Å; F419-K505 HydrophobicContact CG-CD 3.89Å
420	Q	60.6	Low	74.9	Confident	147 Å²	147	59.3 Å²	59.3	69%	0.687	30%	0.302	S	S	*	.			trans	-89.7	136.2	173	-66.4	-179	3.7	0	0	109	P418 S424	P418-Q420 VanDerWaalsContact C-N 3.26Å; P418-Q420 PolarHBondContact O-N 2.98Å; P418-Q420 VanDerWaalsContact O-N 3.15Å; Q420-S424 PolarHBondContact O-N 2.84Å
421	K	53.6	Low	75	Confident	201 Å²	201	54.6 Å²	54.6	87%	0.874	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	143.3	171.1	-69.4	-177	178.5	-178.9	0	108.7
422	P	49.8	Very low	75.1	Confident	111 Å²	111	55.8 Å²	55.8	72%	0.721	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.7	-12.1	22.6	12.8	2.7	0	0	0	117.1
423	A	53.8	Low	75.2	Confident	43 Å²	43	63.5 Å²	63.5	36%	0.355	32%	0.315	S	S	.	.			trans	178.3	110.5	162.9	0	0	0	0	0	107.8	T369	T369-A423 HydrophobicContact CG2-CB 3.71Å
424	S	56.9	Low	75.5	Confident	36 Å²	36	68.1 Å²	68.1	25%	0.252	34%	0.34	S	S	.	.			trans	-91.6	99.4	159.6	65.9	0	0	0	0	107.3	F419 Q420 C426	F419-S424 WeakPolarHBondContact CA-OG 3.37Å; F419-S424 PolarHBondContact N-OG 2.92Å; F419-S424 VanDerWaalsContact N-OG 3.11Å; Q420-S424 PolarHBondContact O-N 2.84Å; S424-C426 PolarHBondContact O-N 3.45Å
425	H	68.9	Low	75.9	Confident	47 Å²	47	62.5 Å²	62.5	22%	0.218	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.4	135.6	166.7	-61.4	-53.8	0	0	0	108.3	N322 V368 T369	N322-H425 VanDerWaalsContact CB-CE1 3.46Å; N322-H425 WeakPolarHBondContact CB-CE1 3.2Å; V368-H425 PolarHBondContact O-CE1 2.97Å; V368-H425 VanDerWaalsContact O-CE1 3.28Å; V368-H425 PolarHBondContact O-NE2 2.87Å; T369-H425 PolarHBondContact OG1-CD2 3.39Å; T369-H425 PolarHBondContact OG1-NE2 2.97Å
426	C	79.3	Confident	76.1	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.034	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-73.5	137.7	171	-76.1	0	0	0	0	109.3	R323 C417 F419 S424 V476	R323-C426 PolarHBondContact NH2-O 3.01Å; C417-C426 HydrophobicContact CB-CB 4.45Å; C417-C426 WeakPolarHBondContact CB-SG 3.03Å; C417-C426 WeakPolarHBondContact SG-CA 3.39Å; C417-C426 WeakPolarHBondContact SG-CB 3.45Å; C417-C426 CovalentContact SG-SG 2.03Å; C417-C426 PolarHBondContact SG-SG 3.29Å; F419-C426 VanDerWaalsContact CE1-SG 3.58Å; S424-C426 PolarHBondContact O-N 3.45Å; C426-V476 HydrophobicContact CB-CB 4.1Å
427	P	84.1	Confident	76.4	Confident	14 Å²	14	64 Å²	64	9%	0.091	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-59.1	151.9	169.5	27.2	-33.3	0	0	0	109.5	T403 Q405 L416 V429	T403-P427 CarbonylContact O-C 3.5Å; T403-P427 WeakPolarHBondContact O-CA 3.26Å; T403-P427 WeakPolarHBondContact OG1-CB 3.14Å; Q405-P427 HydrophobicContact CB-CB 3.96Å; Q405-P427 HydrophobicContact CB-CG 3.97Å; L416-P427 HydrophobicContact CD1-CG 4.18Å; L416-P427 HydrophobicContact CD2-CG 4.18Å; L416-P427 HydrophobicContact CG-CG 4.06Å; P427-V429 WeakPolarHBondContact O-CG2 3.1Å; P427-V429 PolarHBondContact O-N 3.43Å
428	R	87.6	Confident	76.8	Confident	21 Å²	21	64.7 Å²	64.7	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	127.7	166	173.2	165.6	-74	178	-1.5	108.1	V402 T403 V404 Q405 Y473 D475 V512	V402-R428 HydrophobicContact CG1-CB 4Å; T403-R428 PolarHBondContact O-N 3.41Å; V404-R428 CarbonylContact C-O 3.41Å; V404-R428 VanDerWaalsContact CA-O 3.28Å; V404-R428 WeakPolarHBondContact CA-O 3.47Å; V404-R428 HydrophobicContact CG2-CB 4.21Å; V404-R428 HydrophobicContact CG2-CG 4.41Å; Q405-R428 PolarHBondContact N-O 3.18Å; R428-Y473 HydrophobicContact CG-CD1 4.12Å; R428-D475 WeakPolarHBondContact CG-OD1 3.37Å; R428-D475 IonicContact CZ-OD1 2.65Å; R428-D475 IonicContact CZ-OD2 3.1Å; R428-D475 IonicContact NE-OD1 3.55Å; R428-D475 PolarHBondContact NE-OD1 3.1Å; R428-D475 IonicContact NE-OD2 2.69Å; R428-D475 IonicContact NH2-OD1 3.64Å; R428-D475 IonicContact NH2-OD2 3.98Å; R428-D475 PolarHBondContact NH2-OD2 3.04Å; R428-V512 VanDerWaalsContact CZ-CG1 3.5Å
429	V	91.1	Very high	77.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.3	-173	-180	0	0	0	0	109.4	Q405 V407 L416 P427 I457 Y473 V474 V476	Q405-V429 WeakPolarHBondContact O-CA 3.48Å; V407-V429 HydrophobicContact CB-CG1 4.13Å; V407-V429 HydrophobicContact CG1-CG1 3.79Å; V407-V429 HydrophobicContact CG2-CG1 3.23Å; L416-V429 HydrophobicContact CD2-CG2 3.48Å; L416-V429 VanDerWaalsContact CD2-CG2 3.48Å; P427-V429 WeakPolarHBondContact O-CG2 3.1Å; P427-V429 PolarHBondContact O-N 3.43Å; V429-I457 HydrophobicContact CB-CG2 4.33Å; V429-I457 HydrophobicContact CG1-CG2 4.04Å; V429-I457 HydrophobicContact CG2-CD1 4.43Å; V429-I457 HydrophobicContact CG2-CG2 4.3Å; V429-Y473 CarbonylContact O-C 3.57Å; V429-Y473 WeakPolarHBondContact O-CA 3.48Å; V429-V474 HydrophobicContact CB-CB 4.46Å; V429-V474 PolarHBondContact N-O 2.86Å; V429-V474 PolarHBondContact O-N 3.08Å; V429-V476 HydrophobicContact CG2-CG2 3.91Å
430	Y	92.9	Very high	78.3	Confident	91 Å²	91	66.8 Å²	66.8	36%	0.357	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.3	167.4	-178.5	-101.1	0	0	0	109.7	Q405 A406 V407 Y473	Q405-Y430 PolarHBondContact O-N 3.06Å; A406-Y430 HydrophobicContact CB-CD1 4.35Å; V407-Y430 PolarHBondContact N-O 2.82Å; Y430-Y473 AromaticContact CD2-CD1 3.79Å; Y430-Y473 HydrophobicContact CD2-CD1 3.79Å; Y430-Y473 HydrophobicContact CD2-CD2 4.43Å; Y430-Y473 AromaticContact CD2-CE1 3.51Å; Y430-Y473 HydrophobicContact CD2-CE1 3.51Å; Y430-Y473 HydrophobicContact CD2-CE2 4.2Å; Y430-Y473 HydrophobicContact CD2-CG 4.25Å; Y430-Y473 AromaticContact CD2-CZ 3.74Å; Y430-Y473 HydrophobicContact CE2-CE1 4.41Å; Y430-Y473 HydrophobicContact CE2-CE2 4.41Å; Y430-Y473 HydrophobicContact CG-CD1 4.44Å; Y430-Y473 HydrophobicContact CG-CE1 4.13Å
431	C	93.3	Very high	79.2	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.6	-179.7	-75.1	0	0	0	0	111.5	C458 G471 G472	C431-C458 WeakPolarHBondContact CA-SG 3.23Å; C431-C458 HydrophobicContact CB-CB 3.7Å; C431-C458 WeakPolarHBondContact CB-SG 3.06Å; C431-C458 WeakPolarHBondContact SG-CA 3.25Å; C431-C458 WeakPolarHBondContact SG-CB 3.34Å; C431-C458 CovalentContact SG-SG 2.04Å; C431-C458 PolarHBondContact SG-SG 3.13Å; C431-G471 CarbonylContact O-C 3.55Å; C431-G471 WeakPolarHBondContact O-CA 3.19Å; C431-G472 PolarHBondContact N-O 3.36Å; C431-G472 PolarHBondContact O-N 3Å
432	P	92.6	Very high	80.4	Confident	44 Å²	44	65.1 Å²	65.1	29%	0.286	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-74.9	169.2	177.7	31.2	-32.9	0	0	0	111.3	V407 C435 G471	V407-P432 VanDerWaalsContact O-CD 3.24Å; V407-P432 WeakPolarHBondContact O-CD 3.29Å; P432-C435 PolarHBondContact O-SG 2.83Å; P432-G471 WeakPolarHBondContact O-CA 3.44Å
433	R	91.3	Very high	82.1	Confident	178 Å²	178	59.8 Å²	59.8	67%	0.672	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	156.2	174.2	-73.4	172	-178.3	176	3.9	111.2	C435 N469 Q470	R433-C435 PolarHBondContact O-N 3.3Å; R433-N469 CarbonylContact C-O 3.37Å; R433-N469 WeakPolarHBondContact CA-O 3.38Å; R433-Q470 VanDerWaalsContact CG-C 3.44Å; R433-Q470 WeakPolarHBondContact CG-O 3.4Å; R433-Q470 PolarHBondContact NE-O 3.13Å
434	N	89.3	Confident	83.9	Confident	98 Å²	98	62.1 Å²	62.1	52%	0.524	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	28.3	168.5	-62.6	-25.2	0	0	0	115.9	M436 Q437 N469	N434-M436 PolarHBondContact O-N 2.81Å; N434-Q437 PolarHBondContact O-N 2.95Å; N434-Q437 PolarHBondContact O-OE1 2.93Å; N434-Q437 VanDerWaalsContact O-OE1 3.11Å; N434-N469 VanDerWaalsContact C-OD1 3.28Å; N434-N469 WeakPolarHBondContact CA-OD1 3.39Å; N434-N469 PolarHBondContact N-O 2.99Å; N434-N469 PolarHBondContact OD1-ND2 3.01Å
435	C	87.4	Confident	85.5	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.02	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-69.6	-15	176.4	-69	0	0	0	0	114.4	C409 P432 R433 Q437 A438 C458 R459 N469	C409-C435 HydrophobicContact CB-CB 3.74Å; C409-C435 WeakPolarHBondContact CB-SG 2.99Å; C409-C435 WeakPolarHBondContact SG-CA 3.38Å; C409-C435 WeakPolarHBondContact SG-CB 3.49Å; C409-C435 CovalentContact SG-SG 2.05Å; C409-C435 PolarHBondContact SG-SG 3.31Å; P432-C435 PolarHBondContact O-SG 2.83Å; R433-C435 PolarHBondContact O-N 3.3Å; C435-Q437 VanDerWaalsContact C-N 3.3Å; C435-A438 WeakPolarHBondContact O-CB 3.32Å; C435-A438 PolarHBondContact O-N 2.78Å; C435-C458 HydrophobicContact CB-CB 4.24Å; C435-R459 HydrophobicContact CB-CG 4.21Å; C435-R459 WeakPolarHBondContact O-CD 3.28Å; C435-R459 WeakPolarHBondContact O-CG 3.26Å; C435-N469 PolarHBondContact N-OD1 3.49Å; C435-N469 VanDerWaalsContact N-OD1 3.16Å
436	M	85.6	Confident	86.6	Confident	62 Å²	62	58.4 Å²	58.4	31%	0.305	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-67.1	-32.3	172.1	-68	-175.4	76.7	0	0	112.6	N434 A438 V462 N469 N491 I493	N434-M436 PolarHBondContact O-N 2.81Å; M436-A438 VanDerWaalsContact C-N 3.27Å; M436-A438 PolarHBondContact O-N 3.4Å; M436-V462 HydrophobicContact CE-CG1 4.43Å; M436-V462 HydrophobicContact CG-CG1 3.69Å; M436-V462 HydrophobicContact SD-CG1 3.82Å; M436-N469 WeakPolarHBondContact CB-OD1 3.46Å; M436-N469 HydrophobicContact CG-CB 4.11Å; M436-N469 VanDerWaalsContact CG-OD1 3.32Å; M436-N469 WeakPolarHBondContact CG-OD1 3.49Å; M436-N469 PolarHBondContact N-OD1 3.35Å; M436-N469 HydrophobicContact SD-CB 3.82Å; M436-N491 WeakPolarHBondContact CE-O 3.37Å; M436-I493 HydrophobicContact CE-CG1 4.26Å; M436-I493 HydrophobicContact CG-CD1 4.29Å; M436-I493 HydrophobicContact CG-CG1 4.46Å
437	Q	85.3	Confident	87.1	Confident	131 Å²	131	58.1 Å²	58.1	61%	0.612	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-82.2	-4.3	178.5	-65.3	86.1	14.2	0	0	113.2	N434 C435 N469	N434-Q437 PolarHBondContact O-N 2.95Å; N434-Q437 PolarHBondContact O-OE1 2.93Å; N434-Q437 VanDerWaalsContact O-OE1 3.11Å; C435-Q437 VanDerWaalsContact C-N 3.3Å; Q437-N469 PolarHBondContact NE2-ND2 3.33Å; Q437-N469 PolarHBondContact OE1-ND2 3.23Å
438	A	81.9	Confident	87.4	Confident	18 Å²	18	58.7 Å²	58.7	15%	0.149	28%	0.275	C	S	.	.	S	Bend	trans	-66.8	141.5	-179.6	0	0	0	0	0	111.2	C409 C435 M436 P440 A443 R459	C409-A438 HydrophobicContact CB-CB 3.75Å; C435-A438 WeakPolarHBondContact O-CB 3.32Å; C435-A438 PolarHBondContact O-N 2.78Å; M436-A438 VanDerWaalsContact C-N 3.27Å; M436-A438 PolarHBondContact O-N 3.4Å; A438-P440 WeakPolarHBondContact O-CD 2.97Å; A438-P440 VanDerWaalsContact O-N 3.17Å; A438-A443 HydrophobicContact CB-CB 4.17Å; A438-R459 PolarHBondContact O-NH1 3.16Å
439	N	82.4	Confident	87.3	Confident	73 Å²	73	67.1 Å²	67.1	39%	0.39	31%	0.307	S	S	.	.			trans	-55.6	120.1	-173.5	-174.6	-20.4	0	0	0	111.3	H441 Y442 A443 R459	N439-H441 PolarHBondContact O-N 2.8Å; N439-H441 VanDerWaalsContact O-N 3.12Å; N439-H441 WeakPolarHBondContact OD1-CB 3.44Å; N439-H441 PolarHBondContact OD1-CD2 2.88Å; N439-H441 PolarHBondContact OD1-N 3.26Å; N439-Y442 HydrophobicContact CB-CD2 4.04Å; N439-Y442 PolarHBondContact O-N 3.04Å; N439-Y442 VanDerWaalsContact O-N 3.14Å; N439-A443 PolarHBondContact O-N 3.45Å; N439-R459 PolarHBondContact O-NH1 3.34Å
440	P	77.4	Confident	87.1	Confident	78 Å²	78	68 Å²	68	51%	0.506	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.2	176.7	-28.4	36.7	0	0	0	115.2	A438 R444	A438-P440 WeakPolarHBondContact O-CD 2.97Å; A438-P440 VanDerWaalsContact O-N 3.17Å; P440-R444 WeakPolarHBondContact O-CG 2.98Å
441	H	77.9	Confident	87	Confident	155 Å²	155	63.8 Å²	63.8	72%	0.718	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.9	179.8	-70.5	-72.1	0	0	0	113.6	N439	N439-H441 PolarHBondContact O-N 2.8Å; N439-H441 VanDerWaalsContact O-N 3.12Å; N439-H441 WeakPolarHBondContact OD1-CB 3.44Å; N439-H441 PolarHBondContact OD1-CD2 2.88Å; N439-H441 PolarHBondContact OD1-N 3.26Å
442	Y	80.4	Confident	86.9	Confident	158 Å²	158	63.7 Å²	63.7	62%	0.62	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-32	-178.1	-61.7	-70.1	0	0	0	112.6	N439	N439-Y442 HydrophobicContact CB-CD2 4.04Å; N439-Y442 PolarHBondContact O-N 3.04Å; N439-Y442 VanDerWaalsContact O-N 3.14Å
443	A	85	Confident	86.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-111	57.3	-177.9	0	0	0	0	0	111	C409 E410 A438 N439 R459	C409-A443 VanDerWaalsContact O-CB 3.27Å; C409-A443 WeakPolarHBondContact O-CB 3.38Å; E410-A443 HydrophobicContact CG-CB 4.34Å; A438-A443 HydrophobicContact CB-CB 4.17Å; N439-A443 PolarHBondContact O-N 3.45Å; A443-R459 VanDerWaalsContact CB-CD 3.49Å; A443-R459 WeakPolarHBondContact O-CD 3.31Å; A443-R459 PolarHBondContact O-NE 3.23Å; A443-R459 PolarHBondContact O-NH1 3.03Å
444	R	90.6	Very high	86.4	Confident	92 Å²	92	58 Å²	58	35%	0.347	27%	0.273	S	S	.	.			trans	-64.3	152.5	-176.9	-66.9	173.6	69.7	-164.1	2	111.6	P440 S455 S456 E496	P440-R444 WeakPolarHBondContact O-CG 2.98Å; R444-S455 CarbonylContact O-C 3.57Å; R444-S455 VanDerWaalsContact O-CA 3.28Å; R444-S455 WeakPolarHBondContact O-CA 3.01Å; R444-S456 PolarHBondContact O-N 3.46Å; R444-E496 IonicContact CZ-OE1 3.86Å; R444-E496 IonicContact CZ-OE2 3.9Å; R444-E496 IonicContact NE-OE1 3.86Å; R444-E496 PolarHBondContact NE-OE1 3.48Å; R444-E496 IonicContact NE-OE2 3.05Å; R444-E496 PolarHBondContact NE-OE2 3.01Å; R444-E496 IonicContact NH2-OE1 3.2Å; R444-E496 IonicContact NH2-OE2 3.89Å; R444-E496 PolarHBondContact NH2-OE2 3.06Å
445	V	91.8	Very high	86.5	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	25%	0.248	C	C	.	.			trans	-126.9	115.4	171.9	-179.1	0	0	0	0	107.6	Y451 R459 A460 H463 I493 S495 E496	V445-Y451 HydrophobicContact CG1-CD1 3.86Å; V445-Y451 HydrophobicContact CG1-CE1 3.79Å; V445-R459 HydrophobicContact CG2-CB 3.49Å; V445-R459 VanDerWaalsContact CG2-CB 3.49Å; V445-A460 HydrophobicContact CG1-CB 4.38Å; V445-H463 HydrophobicContact CG1-CB 4.34Å; V445-I493 HydrophobicContact CB-CG2 4.35Å; V445-I493 HydrophobicContact CG2-CG2 4.07Å; V445-S495 CarbonylContact O-C 3.48Å; V445-S495 VanDerWaalsContact O-CA 3.26Å; V445-S495 WeakPolarHBondContact O-CA 3.39Å; V445-E496 PolarHBondContact O-N 2.85Å
446	I	90.7	Very high	86.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-118.1	118.3	-175.7	-59.3	163.1	0	0	0	108.5	Y451 S452 M454 S455 Y485 E496 L498	I446-Y451 VanDerWaalsContact O-CA 3.31Å; I446-Y451 WeakPolarHBondContact O-CA 3.26Å; I446-S452 PolarHBondContact O-N 2.88Å; I446-S452 VanDerWaalsContact O-N 3.1Å; I446-M454 HydrophobicContact CD1-CB 4.24Å; I446-S455 PolarHBondContact N-OG 3.13Å; I446-S455 PolarHBondContact O-OG 2.93Å; I446-Y485 HydrophobicContact CG2-CG 4.38Å; I446-E496 WeakPolarHBondContact CA-O 3.28Å; I446-E496 HydrophobicContact CG1-CB 4.2Å; I446-L498 HydrophobicContact CD1-CD2 4.45Å; I446-L498 HydrophobicContact CG2-CB 3.52Å; I446-L498 HydrophobicContact CG2-CD2 3.93Å; I446-L498 HydrophobicContact CG2-CG 4.4Å
447	G	90.3	Very high	87	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	94.2	-178.4	-179.2	0	0	0	0	0	115.3	Y451 I486 S495 E496	G447-Y451 WeakPolarHBondContact O-CD1 3.14Å; G447-Y451 VanDerWaalsContact O-CE1 3.25Å; G447-Y451 WeakPolarHBondContact O-CE1 3.19Å; G447-I486 CarbonylContact C-O 3.5Å; G447-I486 WeakPolarHBondContact CA-O 3.45Å; G447-S495 WeakPolarHBondContact O-CB 3.5Å; G447-S495 PolarHBondContact O-OG 3.35Å; G447-E496 PolarHBondContact N-O 3.1Å
448	T	90.2	Very high	87.3	Confident	26 Å²	26	44 Å²	44	16%	0.16	20%	0.203	C	C	.	.	S	Bend	trans	-145.3	131.9	-172.6	-59	0	0	0	0	109.1	I450 I486 S488 S495	T448-I450 PolarHBondContact N-O 3.31Å; T448-I450 PolarHBondContact O-N 2.76Å; T448-I486 WeakPolarHBondContact CB-O 3.38Å; T448-I486 PolarHBondContact N-O 2.77Å; T448-I486 PolarHBondContact OG1-O 2.98Å; T448-S488 VanDerWaalsContact CG2-OG 3.3Å; T448-S488 WeakPolarHBondContact CG2-OG 3.26Å; T448-S488 VanDerWaalsContact OG1-CB 3.31Å; T448-S488 WeakPolarHBondContact OG1-CB 3.39Å; T448-S488 PolarHBondContact OG1-OG 3.28Å; T448-S495 PolarHBondContact OG1-OG 3.18Å
449	R	85.8	Confident	87.8	Confident	197 Å²	197	44 Å²	44	74%	0.743	20%	0.2	S	C	*	.	S	Bend	trans	62	-39.4	-169.6	-60.6	178	179.7	172.9	0.6	114.8
450	I	88.1	Confident	88.3	Confident	20 Å²	20	40.5 Å²	40.5	10%	0.103	18%	0.181	C	C	.	.	S	Bend	trans	-121	124.1	170	-56.2	-158.4	0	0	0	107.3	T448 V479 R482 Y485 A506 R508	T448-I450 PolarHBondContact N-O 3.31Å; T448-I450 PolarHBondContact O-N 2.76Å; I450-V479 HydrophobicContact CD1-CG2 4.2Å; I450-V479 HydrophobicContact CG2-CG2 3.6Å; I450-R482 VanDerWaalsContact CD1-CZ 3.49Å; I450-R482 VanDerWaalsContact CD1-NH2 3.31Å; I450-R482 HydrophobicContact CG2-CG 4.48Å; I450-Y485 HydrophobicContact CG2-CE1 4.32Å; I450-A506 HydrophobicContact CG2-CB 3.79Å; I450-R508 HydrophobicContact CD1-CG 4.48Å; I450-R508 HydrophobicContact CG1-CG 4.01Å
451	Y	90.8	Very high	89	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.5	-175.2	-57.3	-80.5	0	0	0	110.3	V445 I446 G447 A460 H463 A464 A506 F507 V509	V445-Y451 HydrophobicContact CG1-CD1 3.86Å; V445-Y451 HydrophobicContact CG1-CE1 3.79Å; I446-Y451 VanDerWaalsContact O-CA 3.31Å; I446-Y451 WeakPolarHBondContact O-CA 3.26Å; G447-Y451 WeakPolarHBondContact O-CD1 3.14Å; G447-Y451 VanDerWaalsContact O-CE1 3.25Å; G447-Y451 WeakPolarHBondContact O-CE1 3.19Å; Y451-A460 HydrophobicContact CD1-CB 3.92Å; Y451-A460 HydrophobicContact CD2-CB 3.95Å; Y451-A460 HydrophobicContact CE1-CB 4.1Å; Y451-A460 HydrophobicContact CE2-CB 4.13Å; Y451-A460 HydrophobicContact CG-CB 3.84Å; Y451-A460 PolarHBondContact OH-O 3.29Å; Y451-H463 AromaticContact CE1-ND1 3.55Å; Y451-H463 AromaticContact CZ-ND1 3.61Å; Y451-H463 PolarHBondContact OH-ND1 2.98Å; Y451-A464 HydrophobicContact CE2-CB 4.32Å; Y451-A464 WeakPolarHBondContact OH-CB 3.27Å; Y451-A464 PolarHBondContact OH-N 3.37Å; Y451-A506 CarbonylContact O-C 3.34Å; Y451-A506 VanDerWaalsContact O-CA 3.27Å; Y451-A506 WeakPolarHBondContact O-CA 3.31Å; Y451-F507 HydrophobicContact CD2-CE2 4.34Å; Y451-F507 HydrophobicContact CG-CZ 4.48Å; Y451-F507 PolarHBondContact N-O 2.87Å; Y451-F507 PolarHBondContact O-N 3.47Å; Y451-V509 HydrophobicContact CD2-CG2 4.44Å; Y451-V509 HydrophobicContact CE2-CG2 3.92Å
452	S	90.1	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	145.7	171.2	-178	0	0	0	0	110.1	I446 M454 S455 F507	I446-S452 PolarHBondContact O-N 2.88Å; I446-S452 VanDerWaalsContact O-N 3.1Å; S452-M454 PolarHBondContact O-N 3.2Å; S452-M454 VanDerWaalsContact O-N 3.11Å; S452-S455 WeakPolarHBondContact O-CB 3.31Å; S452-S455 PolarHBondContact O-N 2.71Å; S452-S455 PolarHBondContact O-OG 3.14Å; S452-F507 WeakPolarHBondContact O-CE1 3.44Å
453	D	86.6	Confident	90.2	Very high	11 Å²	11	22.2 Å²	22.2	6%	0.059	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.4	176.5	59	-9.1	0	0	0	115	V413 E414 S455 S504 K505	V413-D453 HydrophobicContact CB-CB 4.48Å; V413-D453 HydrophobicContact CG1-CB 4.28Å; V413-D453 PolarHBondContact N-O 3.45Å; E414-D453 PolarHBondContact N-O 3.15Å; D453-S455 PolarHBondContact O-N 3Å; D453-S504 WeakPolarHBondContact OD1-CB 3.45Å; D453-K505 HydrophobicContact CB-CB 4.08Å; D453-K505 WeakPolarHBondContact CB-O 3.38Å; D453-K505 VanDerWaalsContact CG-N 3.29Å; D453-K505 VanDerWaalsContact CG-O 3.27Å; D453-K505 PolarHBondContact N-O 2.79Å; D453-K505 WeakPolarHBondContact OD2-CB 3.11Å; D453-K505 PolarHBondContact OD2-N 3.34Å
454	M	86.9	Confident	90.5	Very high	90 Å²	90	23.4 Å²	23.4	44%	0.443	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9	171.3	-57.9	-177.5	73.3	0	0	114.1	T412 I446 S452	T412-M454 WeakPolarHBondContact CG2-O 3.48Å; I446-M454 HydrophobicContact CD1-CB 4.24Å; S452-M454 PolarHBondContact O-N 3.2Å; S452-M454 VanDerWaalsContact O-N 3.11Å
455	S	90.5	Very high	90.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-79.4	145.3	-179.3	-50.4	0	0	0	0	111.3	R444 I446 S452 D453 I457	R444-S455 CarbonylContact O-C 3.57Å; R444-S455 VanDerWaalsContact O-CA 3.28Å; R444-S455 WeakPolarHBondContact O-CA 3.01Å; I446-S455 PolarHBondContact N-OG 3.13Å; I446-S455 PolarHBondContact O-OG 2.93Å; S452-S455 WeakPolarHBondContact O-CB 3.31Å; S452-S455 PolarHBondContact O-N 2.71Å; S452-S455 PolarHBondContact O-OG 3.14Å; D453-S455 PolarHBondContact O-N 3Å; S455-I457 PolarHBondContact O-N 3.01Å
456	S	92.3	Very high	90.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-62.8	128.7	168.6	160.8	0	0	0	0	110.7	C409 R444 R459 A460	C409-S456 VanDerWaalsContact O-CB 3.32Å; C409-S456 WeakPolarHBondContact O-CB 3.35Å; C409-S456 PolarHBondContact O-OG 2.03Å; R444-S456 PolarHBondContact O-N 3.46Å; S456-R459 PolarHBondContact OG-N 3.12Å; S456-A460 WeakPolarHBondContact O-CB 3.36Å; S456-A460 PolarHBondContact O-N 3.15Å
457	I	92.1	Very high	90.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-50.4	-179.4	-65.2	162.1	0	0	0	110.7	T411 V413 L416 V429 S455 A460 A461 V476	T411-I457 HydrophobicContact CG2-CD1 4.46Å; T411-I457 PolarHBondContact O-N 2.73Å; T411-I457 VanDerWaalsContact O-N 3.17Å; V413-I457 HydrophobicContact CB-CG1 4.43Å; V413-I457 HydrophobicContact CG2-CD1 3.78Å; V413-I457 HydrophobicContact CG2-CG1 3.32Å; L416-I457 HydrophobicContact CB-CD1 4.19Å; L416-I457 HydrophobicContact CD2-CD1 3.48Å; L416-I457 VanDerWaalsContact CD2-CD1 3.48Å; L416-I457 HydrophobicContact CG-CD1 4.49Å; V429-I457 HydrophobicContact CB-CG2 4.33Å; V429-I457 HydrophobicContact CG1-CG2 4.04Å; V429-I457 HydrophobicContact CG2-CD1 4.43Å; V429-I457 HydrophobicContact CG2-CG2 4.3Å; S455-I457 PolarHBondContact O-N 3.01Å; I457-A460 PolarHBondContact O-N 3.05Å; I457-A461 WeakPolarHBondContact O-CB 3.34Å; I457-A461 PolarHBondContact O-N 3.19Å; I457-V476 HydrophobicContact CG2-CG2 3.61Å
458	C	92.6	Very high	89.8	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-71.8	-37.1	-172.4	-63.2	0	0	0	0	112.5	V407 C431 C435 A461 V462	V407-C458 WeakPolarHBondContact CG2-SG 3.32Å; C431-C458 WeakPolarHBondContact CA-SG 3.23Å; C431-C458 HydrophobicContact CB-CB 3.7Å; C431-C458 WeakPolarHBondContact CB-SG 3.06Å; C431-C458 WeakPolarHBondContact SG-CA 3.25Å; C431-C458 WeakPolarHBondContact SG-CB 3.34Å; C431-C458 CovalentContact SG-SG 2.04Å; C431-C458 PolarHBondContact SG-SG 3.13Å; C435-C458 HydrophobicContact CB-CB 4.24Å; C458-A461 PolarHBondContact O-N 3.39Å; C458-V462 WeakPolarHBondContact O-CG2 3.43Å; C458-V462 PolarHBondContact O-N 3.42Å
459	R	92.1	Very high	89.6	Confident	18 Å²	18	24.3 Å²	24.3	7%	0.068	11%	0.112	C	C	.	.	H	α-helix	trans	-72.3	-37.5	173.8	-76.9	-177.3	66.2	170.5	7.4	112.5	C435 A438 N439 A443 V445 S456 A461 V462 H463 I493	C435-R459 HydrophobicContact CB-CG 4.21Å; C435-R459 WeakPolarHBondContact O-CD 3.28Å; C435-R459 WeakPolarHBondContact O-CG 3.26Å; A438-R459 PolarHBondContact O-NH1 3.16Å; N439-R459 PolarHBondContact O-NH1 3.34Å; A443-R459 VanDerWaalsContact CB-CD 3.49Å; A443-R459 WeakPolarHBondContact O-CD 3.31Å; A443-R459 PolarHBondContact O-NE 3.23Å; A443-R459 PolarHBondContact O-NH1 3.03Å; V445-R459 HydrophobicContact CG2-CB 3.49Å; V445-R459 VanDerWaalsContact CG2-CB 3.49Å; S456-R459 PolarHBondContact OG-N 3.12Å; R459-A461 PolarHBondContact O-N 3.22Å; R459-V462 PolarHBondContact O-N 3.22Å; R459-H463 WeakPolarHBondContact O-CB 3.46Å; R459-H463 PolarHBondContact O-N 3.41Å; R459-I493 HydrophobicContact CB-CD1 4.12Å; R459-I493 HydrophobicContact CG-CD1 4.34Å; R459-I493 VanDerWaalsContact O-CD1 3.28Å; R459-I493 WeakPolarHBondContact O-CD1 3.45Å
460	A	92.5	Very high	89.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-35.9	171.8	0	0	0	0	0	111.6	V445 Y451 S456 I457 H463 A464 F507	V445-A460 HydrophobicContact CG1-CB 4.38Å; Y451-A460 HydrophobicContact CD1-CB 3.92Å; Y451-A460 HydrophobicContact CD2-CB 3.95Å; Y451-A460 HydrophobicContact CE1-CB 4.1Å; Y451-A460 HydrophobicContact CE2-CB 4.13Å; Y451-A460 HydrophobicContact CG-CB 3.84Å; Y451-A460 PolarHBondContact OH-O 3.29Å; S456-A460 WeakPolarHBondContact O-CB 3.36Å; S456-A460 PolarHBondContact O-N 3.15Å; I457-A460 PolarHBondContact O-N 3.05Å; A460-H463 PolarHBondContact O-N 2.94Å; A460-A464 VanDerWaalsContact O-CB 3.26Å; A460-A464 WeakPolarHBondContact O-CB 3.35Å; A460-A464 PolarHBondContact O-N 2.97Å; A460-F507 HydrophobicContact CB-CE2 4.18Å; A460-F507 HydrophobicContact CB-CZ 4.11Å
461	A	92.1	Very high	89.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.2	-38.6	176.2	0	0	0	0	0	112.9	I457 C458 R459 G465 V466 V467 V474 V509	I457-A461 WeakPolarHBondContact O-CB 3.34Å; I457-A461 PolarHBondContact O-N 3.19Å; C458-A461 PolarHBondContact O-N 3.39Å; R459-A461 PolarHBondContact O-N 3.22Å; A461-G465 PolarHBondContact O-N 3.24Å; A461-V466 HydrophobicContact CB-CB 4.42Å; A461-V466 HydrophobicContact CB-CG1 4.33Å; A461-V466 WeakPolarHBondContact O-CB 3.11Å; A461-V466 PolarHBondContact O-N 2.72Å; A461-V467 HydrophobicContact CB-CG2 3.56Å; A461-V467 PolarHBondContact O-N 2.97Å; A461-V474 HydrophobicContact CB-CB 4.42Å; A461-V474 HydrophobicContact CB-CG1 3.85Å; A461-V474 HydrophobicContact CB-CG2 3.67Å; A461-V509 HydrophobicContact CB-CB 4.38Å; A461-V509 HydrophobicContact CB-CG1 4.43Å; A461-V509 HydrophobicContact CB-CG2 4.43Å
462	V	91.9	Very high	89.3	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-46.9	170.4	176.8	0	0	0	0	111.1	M436 C458 R459 A464 G465 V467 N491 I493	M436-V462 HydrophobicContact CE-CG1 4.43Å; M436-V462 HydrophobicContact CG-CG1 3.69Å; M436-V462 HydrophobicContact SD-CG1 3.82Å; C458-V462 WeakPolarHBondContact O-CG2 3.43Å; C458-V462 PolarHBondContact O-N 3.42Å; R459-V462 PolarHBondContact O-N 3.22Å; V462-A464 VanDerWaalsContact C-N 3.27Å; V462-A464 PolarHBondContact O-N 3.09Å; V462-G465 PolarHBondContact O-N 3.46Å; V462-V467 WeakPolarHBondContact CA-O 3.21Å; V462-V467 HydrophobicContact CG2-CG2 4Å; V462-N491 WeakPolarHBondContact O-CB 3.49Å; V462-N491 PolarHBondContact O-ND2 3.45Å; V462-I493 HydrophobicContact CB-CD1 3.75Å; V462-I493 HydrophobicContact CG1-CD1 3.77Å; V462-I493 HydrophobicContact CG1-CG1 4.48Å
463	H	92.3	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-43.1	176.3	176.5	-88	0	0	0	111.3	V445 Y451 R459 A460 G465 S488 Q490 N491 I493	V445-H463 HydrophobicContact CG1-CB 4.34Å; Y451-H463 AromaticContact CE1-ND1 3.55Å; Y451-H463 AromaticContact CZ-ND1 3.61Å; Y451-H463 PolarHBondContact OH-ND1 2.98Å; R459-H463 WeakPolarHBondContact O-CB 3.46Å; R459-H463 PolarHBondContact O-N 3.41Å; A460-H463 PolarHBondContact O-N 2.94Å; H463-G465 PolarHBondContact O-N 3Å; H463-S488 PolarHBondContact CE1-OG 3.22Å; H463-S488 VanDerWaalsContact CE1-OG 3.28Å; H463-S488 PolarHBondContact NE2-O 3.39Å; H463-S488 PolarHBondContact NE2-OG 3.04Å; H463-S488 VanDerWaalsContact NE2-OG 3.16Å; H463-Q490 VanDerWaalsContact O-CB 3.24Å; H463-Q490 WeakPolarHBondContact O-CB 3.42Å; H463-N491 PolarHBondContact O-ND2 3.4Å; H463-I493 HydrophobicContact CB-CB 4.09Å; H463-I493 HydrophobicContact CB-CD1 4.37Å; H463-I493 HydrophobicContact CB-CG2 4.16Å; H463-I493 PolarHBondContact CD2-O 3.47Å
464	A	89.6	Confident	89.4	Confident	24 Å²	24	26.4 Å²	26.4	20%	0.198	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.9	176.5	0	0	0	0	0	114.8	Y451 A460 V462 V466 V509	Y451-A464 HydrophobicContact CE2-CB 4.32Å; Y451-A464 WeakPolarHBondContact OH-CB 3.27Å; Y451-A464 PolarHBondContact OH-N 3.37Å; A460-A464 VanDerWaalsContact O-CB 3.26Å; A460-A464 WeakPolarHBondContact O-CB 3.35Å; A460-A464 PolarHBondContact O-N 2.97Å; V462-A464 VanDerWaalsContact C-N 3.27Å; V462-A464 PolarHBondContact O-N 3.09Å; A464-V466 HydrophobicContact CB-CB 4.38Å; A464-V466 HydrophobicContact CB-CG2 3.88Å; A464-V466 PolarHBondContact O-N 3.41Å; A464-V509 HydrophobicContact CB-CG2 3.59Å
465	G	87.7	Confident	89.4	Confident	7 Å²	7	22.1 Å²	22.1	7%	0.072	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	22.3	-175.5	0	0	0	0	0	113.4	V296 I297 S298 A461 V462 H463 N491	V296-G465 WeakPolarHBondContact CG1-O 3.38Å; I297-G465 PolarHBondContact N-O 2.94Å; S298-G465 PolarHBondContact N-O 3.49Å; A461-G465 PolarHBondContact O-N 3.24Å; V462-G465 PolarHBondContact O-N 3.46Å; H463-G465 PolarHBondContact O-N 3Å; G465-N491 VanDerWaalsContact CA-ND2 3.28Å; G465-N491 WeakPolarHBondContact CA-ND2 3.36Å; G465-N491 PolarHBondContact N-ND2 3.28Å; G465-N491 VanDerWaalsContact N-ND2 3.11Å
466	V	88.1	Confident	89.3	Confident	5 Å²	5	22.3 Å²	22.3	3%	0.03	11%	0.114	C	C	.	.	S	Bend	trans	-85.1	-36.8	-178.6	159.9	0	0	0	0	111.4	V296 A461 A464 V474 V509 F510 A511	V296-V466 WeakPolarHBondContact CG1-O 3.07Å; A461-V466 HydrophobicContact CB-CB 4.42Å; A461-V466 HydrophobicContact CB-CG1 4.33Å; A461-V466 WeakPolarHBondContact O-CB 3.11Å; A461-V466 PolarHBondContact O-N 2.72Å; A464-V466 HydrophobicContact CB-CB 4.38Å; A464-V466 HydrophobicContact CB-CG2 3.88Å; A464-V466 PolarHBondContact O-N 3.41Å; V466-V474 HydrophobicContact CG1-CG1 4.23Å; V466-V474 HydrophobicContact CG1-CG2 4.43Å; V466-V509 HydrophobicContact CG2-CG2 4.23Å; V466-F510 VanDerWaalsContact CG1-O 3.28Å; V466-F510 WeakPolarHBondContact CG1-O 3.45Å; V466-A511 HydrophobicContact CG1-CB 4.13Å
467	V	88.8	Confident	88.8	Confident	14 Å²	14	22.5 Å²	22.5	9%	0.085	12%	0.115	C	C	.	.	S	Bend	trans	-133.1	157	170.9	-69.2	0	0	0	0	109.8	A461 V462 V474	A461-V467 HydrophobicContact CB-CG2 3.56Å; A461-V467 PolarHBondContact O-N 2.97Å; V462-V467 WeakPolarHBondContact CA-O 3.21Å; V462-V467 HydrophobicContact CG2-CG2 4Å; V467-V474 HydrophobicContact CB-CG2 4.33Å; V467-V474 HydrophobicContact CG1-CG2 3.45Å; V467-V474 VanDerWaalsContact CG1-CG2 3.45Å; V467-V474 HydrophobicContact CG2-CG2 3.94Å
468	R	85.6	Confident	88.1	Confident	81 Å²	81	24.7 Å²	24.7	31%	0.306	13%	0.129	S	C	.	.			trans	-92	173.9	176.1	-66.6	174.2	165.8	-130.1	-9.1	110.5	N294 E295 Q470 G471	N294-R468 VanDerWaalsContact CA-CZ 3.44Å; N294-R468 VanDerWaalsContact CA-NH1 3.3Å; N294-R468 VanDerWaalsContact CB-NH1 3.33Å; N294-R468 PolarHBondContact OD1-NH1 2.94Å; E295-R468 PolarHBondContact O-NH2 3.48Å; R468-Q470 PolarHBondContact O-N 3.07Å; R468-G471 PolarHBondContact O-N 3.25Å; R468-G471 VanDerWaalsContact O-N 3.1Å
469	N	85.5	Confident	87.4	Confident	35 Å²	35	25.9 Å²	25.9	19%	0.187	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-7.7	174.4	-158.1	39.6	0	0	0	113.7	R433 N434 C435 M436 Q437 G471	R433-N469 CarbonylContact C-O 3.37Å; R433-N469 WeakPolarHBondContact CA-O 3.38Å; N434-N469 VanDerWaalsContact C-OD1 3.28Å; N434-N469 WeakPolarHBondContact CA-OD1 3.39Å; N434-N469 PolarHBondContact N-O 2.99Å; N434-N469 PolarHBondContact OD1-ND2 3.01Å; C435-N469 PolarHBondContact N-OD1 3.49Å; C435-N469 VanDerWaalsContact N-OD1 3.16Å; M436-N469 WeakPolarHBondContact CB-OD1 3.46Å; M436-N469 HydrophobicContact CG-CB 4.11Å; M436-N469 VanDerWaalsContact CG-OD1 3.32Å; M436-N469 WeakPolarHBondContact CG-OD1 3.49Å; M436-N469 PolarHBondContact N-OD1 3.35Å; M436-N469 HydrophobicContact SD-CB 3.82Å; Q437-N469 PolarHBondContact NE2-ND2 3.33Å; Q437-N469 PolarHBondContact OE1-ND2 3.23Å; N469-G471 PolarHBondContact O-N 2.94Å
470	Q	84.6	Confident	86.7	Confident	124 Å²	124	32 Å²	32	58%	0.579	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	0	174.7	-60.2	-179.3	10.3	0	0	113.6	R433 R468	R433-Q470 VanDerWaalsContact CG-C 3.44Å; R433-Q470 WeakPolarHBondContact CG-O 3.4Å; R433-Q470 PolarHBondContact NE-O 3.13Å; R468-Q470 PolarHBondContact O-N 3.07Å
471	G	84.9	Confident	86	Confident	18 Å²	18	38.2 Å²	38.2	19%	0.186	20%	0.198	C	C	.	.			trans	76	177	-175.8	0	0	0	0	0	112.3	C431 P432 R468 N469	C431-G471 CarbonylContact O-C 3.55Å; C431-G471 WeakPolarHBondContact O-CA 3.19Å; P432-G471 WeakPolarHBondContact O-CA 3.44Å; R468-G471 PolarHBondContact O-N 3.25Å; R468-G471 VanDerWaalsContact O-N 3.1Å; N469-G471 PolarHBondContact O-N 2.94Å
472	G	88.7	Confident	85.4	Confident	16 Å²	16	44.2 Å²	44.2	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-178.9	-176.5	0	0	0	0	0	113.5	C431	C431-G472 PolarHBondContact N-O 3.36Å; C431-G472 PolarHBondContact O-N 3Å
473	Y	89.4	Confident	85	Confident	114 Å²	114	51.9 Å²	51.9	45%	0.447	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.4	177.3	-63.7	-75.5	0	0	0	111.2	V404 R428 V429 Y430	V404-Y473 HydrophobicContact CG1-CD1 4.28Å; V404-Y473 HydrophobicContact CG1-CE1 3.81Å; R428-Y473 HydrophobicContact CG-CD1 4.12Å; V429-Y473 CarbonylContact O-C 3.57Å; V429-Y473 WeakPolarHBondContact O-CA 3.48Å; Y430-Y473 AromaticContact CD2-CD1 3.79Å; Y430-Y473 HydrophobicContact CD2-CD1 3.79Å; Y430-Y473 HydrophobicContact CD2-CD2 4.43Å; Y430-Y473 AromaticContact CD2-CE1 3.51Å; Y430-Y473 HydrophobicContact CD2-CE1 3.51Å; Y430-Y473 HydrophobicContact CD2-CE2 4.2Å; Y430-Y473 HydrophobicContact CD2-CG 4.25Å; Y430-Y473 AromaticContact CD2-CZ 3.74Å; Y430-Y473 HydrophobicContact CE2-CE1 4.41Å; Y430-Y473 HydrophobicContact CE2-CE2 4.41Å; Y430-Y473 HydrophobicContact CG-CD1 4.44Å; Y430-Y473 HydrophobicContact CG-CE1 4.13Å
474	V	89.4	Confident	84.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.6	179.7	-177.3	0	0	0	0	108.8	V429 A461 V466 V467 V476 V509	V429-V474 HydrophobicContact CB-CB 4.46Å; V429-V474 PolarHBondContact N-O 2.86Å; V429-V474 PolarHBondContact O-N 3.08Å; A461-V474 HydrophobicContact CB-CB 4.42Å; A461-V474 HydrophobicContact CB-CG1 3.85Å; A461-V474 HydrophobicContact CB-CG2 3.67Å; V466-V474 HydrophobicContact CG1-CG1 4.23Å; V466-V474 HydrophobicContact CG1-CG2 4.43Å; V467-V474 HydrophobicContact CB-CG2 4.33Å; V467-V474 HydrophobicContact CG1-CG2 3.45Å; V467-V474 VanDerWaalsContact CG1-CG2 3.45Å; V467-V474 HydrophobicContact CG2-CG2 3.94Å; V474-V476 HydrophobicContact CG1-CG2 4.46Å; V474-V509 HydrophobicContact CG1-CB 3.91Å; V474-V509 HydrophobicContact CG1-CG1 4.02Å
475	D	87.5	Confident	84.6	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.3	170.9	-82	-9.3	0	0	0	110.1	M302 R323 R428 V509 F510 V512	M302-D475 HydrophobicContact CB-CB 3.89Å; M302-D475 HydrophobicContact CE-CB 3.62Å; M302-D475 HydrophobicContact SD-CB 3.96Å; R323-D475 IonicContact NH1-OD1 3.39Å; R323-D475 PolarHBondContact NH1-OD1 3.42Å; R323-D475 IonicContact NH1-OD2 3.87Å; R323-D475 PolarHBondContact NH1-OD2 3.37Å; R428-D475 WeakPolarHBondContact CG-OD1 3.37Å; R428-D475 IonicContact CZ-OD1 2.65Å; R428-D475 IonicContact CZ-OD2 3.1Å; R428-D475 IonicContact NE-OD1 3.55Å; R428-D475 PolarHBondContact NE-OD1 3.1Å; R428-D475 IonicContact NE-OD2 2.69Å; R428-D475 IonicContact NH2-OD1 3.64Å; R428-D475 IonicContact NH2-OD2 3.98Å; R428-D475 PolarHBondContact NH2-OD2 3.04Å; D475-V509 CarbonylContact O-C 3.59Å; D475-V509 WeakPolarHBondContact O-CA 3.34Å; D475-F510 HydrophobicContact CB-CB 4.23Å; D475-F510 PolarHBondContact N-O 3.33Å; D475-F510 VanDerWaalsContact N-O 3.08Å; D475-F510 PolarHBondContact O-N 3.46Å; D475-V512 HydrophobicContact CB-CG2 4.36Å
476	V	86.8	Confident	84.6	Confident	3 Å²	3	60 Å²	60	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.8	-176.5	-178.3	0	0	0	0	109.6	V413 C426 V429 I457 V474 F507	V413-V476 HydrophobicContact CG2-CG1 3.89Å; C426-V476 HydrophobicContact CB-CB 4.1Å; V429-V476 HydrophobicContact CG2-CG2 3.91Å; I457-V476 HydrophobicContact CG2-CG2 3.61Å; V474-V476 HydrophobicContact CG1-CG2 4.46Å; V476-F507 HydrophobicContact CG1-CB 4.03Å; V476-F507 HydrophobicContact CG1-CD2 3.85Å; V476-F507 HydrophobicContact CG1-CG 4.19Å
477	M	82	Confident	84.7	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.3	-177.9	-170.4	179.1	78.1	0	0	111.1	M302 T320 V479 F507 R508 F510	M302-M477 HydrophobicContact SD-CB 3.93Å; M302-M477 HydrophobicContact SD-CG 4.41Å; T320-M477 WeakPolarHBondContact CA-SD 3.47Å; T320-M477 WeakPolarHBondContact CB-SD 3.39Å; T320-M477 HydrophobicContact CG2-CE 3.31Å; T320-M477 HydrophobicContact CG2-SD 3.32Å; T320-M477 WeakPolarHBondContact CG2-SD 3.23Å; M477-V479 HydrophobicContact CE-CG1 3.68Å; M477-F507 CarbonylContact O-C 3.53Å; M477-F507 WeakPolarHBondContact O-CA 3.27Å; M477-F507 WeakPolarHBondContact O-CB 3.33Å; M477-R508 HydrophobicContact CE-CB 4.21Å; M477-R508 HydrophobicContact CE-CG 4.44Å; M477-R508 PolarHBondContact N-O 3.25Å; M477-R508 PolarHBondContact O-N 3.48Å; M477-F510 HydrophobicContact CB-CD2 4.16Å; M477-F510 HydrophobicContact CB-CE2 3.62Å; M477-F510 HydrophobicContact CE-CE2 3.62Å; M477-F510 HydrophobicContact CE-CZ 3.62Å; M477-F510 HydrophobicContact CG-CE2 4.31Å; M477-F510 HydrophobicContact SD-CE2 3.64Å; M477-F510 HydrophobicContact SD-CZ 3.91Å
478	P	78.3	Confident	84.9	Confident	45 Å²	45	61.9 Å²	61.9	29%	0.292	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.7	171.3	22	-27.5	0	0	0	111.2	F419	F419-P478 HydrophobicContact CD1-CB 3.76Å; F419-P478 HydrophobicContact CD1-CG 4.1Å; F419-P478 HydrophobicContact CE1-CB 3.48Å; F419-P478 VanDerWaalsContact CE1-CB 3.48Å; F419-P478 HydrophobicContact CE1-CG 3.88Å; F419-P478 HydrophobicContact CZ-CB 4.04Å
479	V	78.2	Confident	85.2	Confident	27 Å²	27	64.9 Å²	64.9	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	163.1	171.9	-61.7	0	0	0	0	110.1	I450 M477 A506 R508	I450-V479 HydrophobicContact CD1-CG2 4.2Å; I450-V479 HydrophobicContact CG2-CG2 3.6Å; M477-V479 HydrophobicContact CE-CG1 3.68Å; V479-A506 HydrophobicContact CG2-CB 3.62Å; V479-A506 PolarHBondContact N-O 2.89Å; V479-A506 VanDerWaalsContact O-O 3.09Å; V479-R508 HydrophobicContact CG1-CG 3.87Å; V479-R508 HydrophobicContact CG2-CG 4.25Å
480	D	77.2	Confident	85.3	Confident	147 Å²	147	66.3 Å²	66.3	79%	0.786	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-62.5	141.3	175.9	-63.8	-41.9	0	0	0	110.7
481	K	77.8	Confident	85.4	Confident	130 Å²	130	63.5 Å²	63.5	57%	0.565	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-59.4	147.2	-179.1	71.2	179.1	-177.4	176.4	0	111.5	S504	K481-S504 WeakPolarHBondContact CB-O 3.23Å; K481-S504 VanDerWaalsContact CD-O 3.29Å; K481-S504 WeakPolarHBondContact CD-O 3.36Å
482	R	80.1	Confident	85.4	Confident	125 Å²	125	64.8 Å²	64.8	47%	0.472	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-100	145.7	171.3	-69.7	-168.3	165.9	-174.3	1.2	111.2	I450 V484 Y485	I450-R482 VanDerWaalsContact CD1-CZ 3.49Å; I450-R482 VanDerWaalsContact CD1-NH2 3.31Å; I450-R482 HydrophobicContact CG2-CG 4.48Å; R482-V484 VanDerWaalsContact C-N 3.26Å; R482-Y485 HydrophobicContact CB-CE1 4.33Å; R482-Y485 HydrophobicContact CB-CE2 4.19Å; R482-Y485 PolarHBondContact N-OH 3.33Å; R482-Y485 WeakPolarHBondContact O-CE2 3.43Å
483	K	82.9	Confident	85.4	Confident	169 Å²	169	64.1 Å²	64.1	74%	0.735	33%	0.325	S	S	*	.	S	Bend	trans	-68.3	-29	170.1	-65.9	-175.6	179.8	-179.3	0	111.6	N500	K483-N500 PolarHBondContact O-N 3.06Å
484	V	85.6	Confident	85.4	Confident	74 Å²	74	65.2 Å²	65.2	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	130.8	-178.1	-176.8	0	0	0	0	110.2	R482 Q499	R482-V484 VanDerWaalsContact C-N 3.26Å; V484-Q499 HydrophobicContact CG1-CG 4.3Å; V484-Q499 HydrophobicContact CG2-CG 4.45Å
485	Y	88.8	Confident	85.6	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.8	170.9	-65.6	-92.5	0	0	0	108.8	I446 I450 R482 S497 L498 P501 A506	I446-Y485 HydrophobicContact CG2-CG 4.38Å; I450-Y485 HydrophobicContact CG2-CE1 4.32Å; R482-Y485 HydrophobicContact CB-CE1 4.33Å; R482-Y485 HydrophobicContact CB-CE2 4.19Å; R482-Y485 PolarHBondContact N-OH 3.33Å; R482-Y485 WeakPolarHBondContact O-CE2 3.43Å; Y485-S497 WeakPolarHBondContact O-CA 3.45Å; Y485-S497 WeakPolarHBondContact O-CB 3.37Å; Y485-L498 HydrophobicContact CD2-CB 4.19Å; Y485-L498 PolarHBondContact N-O 3.33Å; Y485-L498 PolarHBondContact O-N 3.46Å; Y485-L498 VanDerWaalsContact O-N 3.13Å; Y485-P501 HydrophobicContact CD2-CG 4.22Å; Y485-P501 HydrophobicContact CE2-CG 3.69Å; Y485-A506 HydrophobicContact CE1-CB 4.47Å; Y485-A506 WeakPolarHBondContact OH-CB 3.32Å
486	I	87.4	Confident	85.8	Confident	122 Å²	122	68.4 Å²	68.4	63%	0.626	35%	0.347	S	S	*	.			trans	-94.5	129.8	-177.1	-58.3	169.4	0	0	0	108.9	G447 T448	G447-I486 CarbonylContact C-O 3.5Å; G447-I486 WeakPolarHBondContact CA-O 3.45Å; T448-I486 WeakPolarHBondContact CB-O 3.38Å; T448-I486 PolarHBondContact N-O 2.77Å; T448-I486 PolarHBondContact OG1-O 2.98Å
487	A	90.2	Very high	85.9	Confident	34 Å²	34	72.1 Å²	72.1	28%	0.281	37%	0.373	S	S	.	.			trans	-69.7	143.9	172.9	0	0	0	0	0	111.2	S495	A487-S495 WeakPolarHBondContact CA-O 3.16Å; A487-S495 WeakPolarHBondContact CB-O 3.3Å
488	S	92.5	Very high	86.1	Confident	26 Å²	26	74.2 Å²	74.2	18%	0.182	38%	0.384	C	S	.	.			trans	-151.7	160.2	170.2	80.5	0	0	0	0	111.1	T448 H463 Q490 S495	T448-S488 VanDerWaalsContact CG2-OG 3.3Å; T448-S488 WeakPolarHBondContact CG2-OG 3.26Å; T448-S488 VanDerWaalsContact OG1-CB 3.31Å; T448-S488 WeakPolarHBondContact OG1-CB 3.39Å; T448-S488 PolarHBondContact OG1-OG 3.28Å; H463-S488 PolarHBondContact CE1-OG 3.22Å; H463-S488 VanDerWaalsContact CE1-OG 3.28Å; H463-S488 PolarHBondContact NE2-O 3.39Å; H463-S488 PolarHBondContact NE2-OG 3.04Å; H463-S488 VanDerWaalsContact NE2-OG 3.16Å; S488-Q490 PolarHBondContact OG-NE2 3.5Å; S488-S495 PolarHBondContact N-OG 3.01Å; S488-S495 PolarHBondContact O-N 3.22Å; S488-S495 PolarHBondContact O-OG 3.39Å
489	F	91.1	Very high	86.4	Confident	144 Å²	144	79 Å²	79	63%	0.632	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	113	169.3	-176.5	-106.9	0	0	0	109.1	I493 F494	F489-I493 WeakPolarHBondContact CA-O 3.35Å; F489-I493 WeakPolarHBondContact CD2-O 3.43Å; F489-F494 HydrophobicContact CB-CD2 4.11Å; F489-F494 HydrophobicContact CD2-CB 4.08Å; F489-F494 HydrophobicContact CD2-CD2 4.27Å
490	Q	88	Confident	86.4	Confident	65 Å²	65	83.3 Å²	83.3	30%	0.304	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.3	179.7	-63.3	-178.9	4.4	0	0	110.2	H463 S488 G492 I493	H463-Q490 VanDerWaalsContact O-CB 3.24Å; H463-Q490 WeakPolarHBondContact O-CB 3.42Å; S488-Q490 PolarHBondContact OG-NE2 3.5Å; Q490-G492 PolarHBondContact O-N 3.33Å; Q490-G492 VanDerWaalsContact O-N 3.1Å; Q490-I493 PolarHBondContact N-O 3.46Å; Q490-I493 PolarHBondContact O-N 3.12Å
491	N	87.1	Confident	86.2	Confident	64 Å²	64	76.9 Å²	76.9	34%	0.342	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	39.2	174.3	-59.5	-54.8	0	0	0	113.8	I297 M436 V462 H463 G465 I493	I297-N491 WeakPolarHBondContact CD1-OD1 3.49Å; M436-N491 WeakPolarHBondContact CE-O 3.37Å; V462-N491 WeakPolarHBondContact O-CB 3.49Å; V462-N491 PolarHBondContact O-ND2 3.45Å; H463-N491 PolarHBondContact O-ND2 3.4Å; G465-N491 VanDerWaalsContact CA-ND2 3.28Å; G465-N491 WeakPolarHBondContact CA-ND2 3.36Å; G465-N491 PolarHBondContact N-ND2 3.28Å; G465-N491 VanDerWaalsContact N-ND2 3.11Å; N491-I493 VanDerWaalsContact C-N 3.32Å; N491-I493 PolarHBondContact O-N 3.08Å
492	G	84.1	Confident	85.5	Confident	45 Å²	45	76.7 Å²	76.7	46%	0.464	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	11.5	178.1	0	0	0	0	0	115.5	Q490	Q490-G492 PolarHBondContact O-N 3.33Å; Q490-G492 VanDerWaalsContact O-N 3.1Å
493	I	88.3	Confident	84.7	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.015	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.9	174.6	-62.6	179	0	0	0	109	M436 V445 R459 V462 H463 F489 Q490 N491	M436-I493 HydrophobicContact CE-CG1 4.26Å; M436-I493 HydrophobicContact CG-CD1 4.29Å; M436-I493 HydrophobicContact CG-CG1 4.46Å; V445-I493 HydrophobicContact CB-CG2 4.35Å; V445-I493 HydrophobicContact CG2-CG2 4.07Å; R459-I493 HydrophobicContact CB-CD1 4.12Å; R459-I493 HydrophobicContact CG-CD1 4.34Å; R459-I493 VanDerWaalsContact O-CD1 3.28Å; R459-I493 WeakPolarHBondContact O-CD1 3.45Å; V462-I493 HydrophobicContact CB-CD1 3.75Å; V462-I493 HydrophobicContact CG1-CD1 3.77Å; V462-I493 HydrophobicContact CG1-CG1 4.48Å; H463-I493 HydrophobicContact CB-CB 4.09Å; H463-I493 HydrophobicContact CB-CD1 4.37Å; H463-I493 HydrophobicContact CB-CG2 4.16Å; H463-I493 PolarHBondContact CD2-O 3.47Å; F489-I493 WeakPolarHBondContact CA-O 3.35Å; F489-I493 WeakPolarHBondContact CD2-O 3.43Å; Q490-I493 PolarHBondContact N-O 3.46Å; Q490-I493 PolarHBondContact O-N 3.12Å; N491-I493 VanDerWaalsContact C-N 3.32Å; N491-I493 PolarHBondContact O-N 3.08Å
494	F	91.2	Very high	83.8	Confident	137 Å²	137	66.5 Å²	66.5	60%	0.601	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.2	169.4	-169.8	-94.9	0	0	0	109.3	F489	F489-F494 HydrophobicContact CB-CD2 4.11Å; F489-F494 HydrophobicContact CD2-CB 4.08Å; F489-F494 HydrophobicContact CD2-CD2 4.27Å
495	S	92.9	Very high	83.5	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-93.8	149.4	173.5	72.8	0	0	0	0	112	V445 G447 T448 A487 S488	V445-S495 CarbonylContact O-C 3.48Å; V445-S495 VanDerWaalsContact O-CA 3.26Å; V445-S495 WeakPolarHBondContact O-CA 3.39Å; G447-S495 WeakPolarHBondContact O-CB 3.5Å; G447-S495 PolarHBondContact O-OG 3.35Å; T448-S495 PolarHBondContact OG1-OG 3.18Å; A487-S495 WeakPolarHBondContact CA-O 3.16Å; A487-S495 WeakPolarHBondContact CB-O 3.3Å; S488-S495 PolarHBondContact N-OG 3.01Å; S488-S495 PolarHBondContact O-N 3.22Å; S488-S495 PolarHBondContact O-OG 3.39Å
496	E	91.3	Very high	83.3	Confident	67 Å²	67	66.8 Å²	66.8	31%	0.313	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-90.2	151.5	179.6	-61.4	175.5	-139.2	0	0	111.5	R444 V445 I446 G447	R444-E496 IonicContact CZ-OE1 3.86Å; R444-E496 IonicContact CZ-OE2 3.9Å; R444-E496 IonicContact NE-OE1 3.86Å; R444-E496 PolarHBondContact NE-OE1 3.48Å; R444-E496 IonicContact NE-OE2 3.05Å; R444-E496 PolarHBondContact NE-OE2 3.01Å; R444-E496 IonicContact NH2-OE1 3.2Å; R444-E496 IonicContact NH2-OE2 3.89Å; R444-E496 PolarHBondContact NH2-OE2 3.06Å; V445-E496 PolarHBondContact O-N 2.85Å; I446-E496 WeakPolarHBondContact CA-O 3.28Å; I446-E496 HydrophobicContact CG1-CB 4.2Å; G447-E496 PolarHBondContact N-O 3.1Å
497	S	89.7	Confident	83.3	Confident	82 Å²	82	61 Å²	61	57%	0.573	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-91.7	143.9	171.8	57.9	0	0	0	0	111	Y485	Y485-S497 WeakPolarHBondContact O-CA 3.45Å; Y485-S497 WeakPolarHBondContact O-CB 3.37Å
498	L	86.6	Confident	83.3	Confident	48 Å²	48	63.1 Å²	63.1	25%	0.251	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.9	177.7	-175	60.3	0	0	0	110.3	I446 Y485 P501	I446-L498 HydrophobicContact CD1-CD2 4.45Å; I446-L498 HydrophobicContact CG2-CB 3.52Å; I446-L498 HydrophobicContact CG2-CD2 3.93Å; I446-L498 HydrophobicContact CG2-CG 4.4Å; Y485-L498 HydrophobicContact CD2-CB 4.19Å; Y485-L498 PolarHBondContact N-O 3.33Å; Y485-L498 PolarHBondContact O-N 3.46Å; Y485-L498 VanDerWaalsContact O-N 3.13Å; L498-P501 HydrophobicContact CD2-CB 3.66Å; L498-P501 HydrophobicContact CD2-CG 4.14Å; L498-P501 HydrophobicContact CG-CB 3.98Å; L498-P501 HydrophobicContact CG-CG 4.27Å
499	Q	84.6	Confident	83.1	Confident	146 Å²	146	62.5 Å²	62.5	68%	0.682	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.1	178.2	-66.3	-175.7	10.5	0	0	110.6	V484 P501	V484-Q499 HydrophobicContact CG1-CG 4.3Å; V484-Q499 HydrophobicContact CG2-CG 4.45Å; Q499-P501 VanDerWaalsContact C-CD 3.49Å
500	N	76.3	Confident	82.9	Confident	117 Å²	117	56.5 Å²	56.5	63%	0.626	32%	0.318	S	S	*	.	S	Bend	trans	42.5	54.3	178.3	-63.9	-39.4	0	0	0	114.5	K483	K483-N500 PolarHBondContact O-N 3.06Å
501	P	73.9	Confident	82.6	Confident	13 Å²	13	53.5 Å²	53.5	8%	0.084	31%	0.305	C	S	.	.			trans	-65.2	131	-177.6	23.5	-29.5	0	0	0	111.6	Y485 L498 Q499 G503 S504	Y485-P501 HydrophobicContact CD2-CG 4.22Å; Y485-P501 HydrophobicContact CE2-CG 3.69Å; L498-P501 HydrophobicContact CD2-CB 3.66Å; L498-P501 HydrophobicContact CD2-CG 4.14Å; L498-P501 HydrophobicContact CG-CB 3.98Å; L498-P501 HydrophobicContact CG-CG 4.27Å; Q499-P501 VanDerWaalsContact C-CD 3.49Å; P501-G503 PolarHBondContact O-N 3.24Å; P501-S504 VanDerWaalsContact CB-OG 3.25Å; P501-S504 WeakPolarHBondContact CB-OG 3.43Å; P501-S504 WeakPolarHBondContact CG-OG 3.29Å
502	P	62.6	Low	82.2	Confident	125 Å²	125	52.3 Å²	52.3	81%	0.812	30%	0.3	S	S	*	.	S	Bend	trans	-68.7	128.6	178.6	27.6	-32.3	0	0	0	109.4	S504	P502-S504 PolarHBondContact O-N 2.96Å
503	G	63.5	Low	81.2	Confident	71 Å²	71	56.6 Å²	56.6	73%	0.732	32%	0.317	S	S	*	.	S	Bend	trans	65.4	-11.4	169.2	0	0	0	0	0	118.6	P501	P501-G503 PolarHBondContact O-N 3.24Å
504	S	64	Low	80.9	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.063	33%	0.332	C	S	.	.			trans	-65.3	147.3	-172.2	64.6	0	0	0	0	114.2	D453 K481 P501 P502	D453-S504 WeakPolarHBondContact OD1-CB 3.45Å; K481-S504 WeakPolarHBondContact CB-O 3.23Å; K481-S504 VanDerWaalsContact CD-O 3.29Å; K481-S504 WeakPolarHBondContact CD-O 3.36Å; P501-S504 VanDerWaalsContact CB-OG 3.25Å; P501-S504 WeakPolarHBondContact CB-OG 3.43Å; P501-S504 WeakPolarHBondContact CG-OG 3.29Å; P502-S504 PolarHBondContact O-N 2.96Å
505	K	79.2	Confident	80.3	Confident	84 Å²	84	55.2 Å²	55.2	37%	0.365	32%	0.317	S	S	.	.			trans	-96.4	171.6	167.4	-61.5	166.6	-176.4	159.1	0	109.2	P418 F419 D453	P418-K505 PolarHBondContact O-NZ 3.2Å; F419-K505 HydrophobicContact CB-CD 3.63Å; F419-K505 HydrophobicContact CD2-CB 4.21Å; F419-K505 HydrophobicContact CD2-CD 3.29Å; F419-K505 HydrophobicContact CD2-CG 4.37Å; F419-K505 HydrophobicContact CE2-CB 4.27Å; F419-K505 HydrophobicContact CE2-CD 4.14Å; F419-K505 HydrophobicContact CG-CD 3.89Å; D453-K505 HydrophobicContact CB-CB 4.08Å; D453-K505 WeakPolarHBondContact CB-O 3.38Å; D453-K505 VanDerWaalsContact CG-N 3.29Å; D453-K505 VanDerWaalsContact CG-O 3.27Å; D453-K505 PolarHBondContact N-O 2.79Å; D453-K505 WeakPolarHBondContact OD2-CB 3.11Å; D453-K505 PolarHBondContact OD2-N 3.34Å
506	A	85.4	Confident	79.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.9	179.2	0	0	0	0	0	111.3	I450 Y451 V479 Y485	I450-A506 HydrophobicContact CG2-CB 3.79Å; Y451-A506 CarbonylContact O-C 3.34Å; Y451-A506 VanDerWaalsContact O-CA 3.27Å; Y451-A506 WeakPolarHBondContact O-CA 3.31Å; V479-A506 HydrophobicContact CG2-CB 3.62Å; V479-A506 PolarHBondContact N-O 2.89Å; V479-A506 VanDerWaalsContact O-O 3.09Å; Y485-A506 HydrophobicContact CE1-CB 4.47Å; Y485-A506 WeakPolarHBondContact OH-CB 3.32Å
507	F	87.8	Confident	78.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.7	175.8	71.6	-86.9	0	0	0	113.4	V413 Y451 S452 A460 V476 M477 V509	V413-F507 HydrophobicContact CB-CD1 3.69Å; V413-F507 HydrophobicContact CB-CE1 3.76Å; V413-F507 HydrophobicContact CB-CG 4.26Å; V413-F507 HydrophobicContact CB-CZ 4.42Å; V413-F507 HydrophobicContact CG1-CB 4.26Å; V413-F507 HydrophobicContact CG1-CD1 3.9Å; V413-F507 HydrophobicContact CG1-CE1 4.45Å; V413-F507 HydrophobicContact CG1-CG 4.23Å; V413-F507 HydrophobicContact CG2-CB 4.32Å; V413-F507 HydrophobicContact CG2-CD1 3.37Å; V413-F507 HydrophobicContact CG2-CD2 3.78Å; V413-F507 HydrophobicContact CG2-CE1 3.31Å; V413-F507 HydrophobicContact CG2-CE2 3.76Å; V413-F507 HydrophobicContact CG2-CG 3.58Å; V413-F507 HydrophobicContact CG2-CZ 3.53Å; Y451-F507 HydrophobicContact CD2-CE2 4.34Å; Y451-F507 HydrophobicContact CG-CZ 4.48Å; Y451-F507 PolarHBondContact N-O 2.87Å; Y451-F507 PolarHBondContact O-N 3.47Å; S452-F507 WeakPolarHBondContact O-CE1 3.44Å; A460-F507 HydrophobicContact CB-CE2 4.18Å; A460-F507 HydrophobicContact CB-CZ 4.11Å; V476-F507 HydrophobicContact CG1-CB 4.03Å; V476-F507 HydrophobicContact CG1-CD2 3.85Å; V476-F507 HydrophobicContact CG1-CG 4.19Å; M477-F507 CarbonylContact O-C 3.53Å; M477-F507 WeakPolarHBondContact O-CA 3.27Å; M477-F507 WeakPolarHBondContact O-CB 3.33Å; F507-V509 HydrophobicContact CD2-CG1 3.86Å; F507-V509 HydrophobicContact CE2-CG1 3.58Å
508	R	88.3	Confident	78.3	Confident	80 Å²	80	56.2 Å²	56.2	30%	0.302	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.3	168.2	-64.6	-177.7	61.7	-175.5	-4.9	109.2	I450 M477 V479 F510	I450-R508 HydrophobicContact CD1-CG 4.48Å; I450-R508 HydrophobicContact CG1-CG 4.01Å; M477-R508 HydrophobicContact CE-CB 4.21Å; M477-R508 HydrophobicContact CE-CG 4.44Å; M477-R508 PolarHBondContact N-O 3.25Å; M477-R508 PolarHBondContact O-N 3.48Å; V479-R508 HydrophobicContact CG1-CG 3.87Å; V479-R508 HydrophobicContact CG2-CG 4.25Å; R508-F510 HydrophobicContact CB-CE2 3.79Å; R508-F510 HydrophobicContact CB-CZ 4.19Å
509	V	89.1	Confident	77.7	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.8	177.6	-68.2	0	0	0	0	109.4	Y451 A461 A464 V466 V474 D475 F507	Y451-V509 HydrophobicContact CD2-CG2 4.44Å; Y451-V509 HydrophobicContact CE2-CG2 3.92Å; A461-V509 HydrophobicContact CB-CB 4.38Å; A461-V509 HydrophobicContact CB-CG1 4.43Å; A461-V509 HydrophobicContact CB-CG2 4.43Å; A464-V509 HydrophobicContact CB-CG2 3.59Å; V466-V509 HydrophobicContact CG2-CG2 4.23Å; V474-V509 HydrophobicContact CG1-CB 3.91Å; V474-V509 HydrophobicContact CG1-CG1 4.02Å; D475-V509 CarbonylContact O-C 3.59Å; D475-V509 WeakPolarHBondContact O-CA 3.34Å; F507-V509 HydrophobicContact CD2-CG1 3.86Å; F507-V509 HydrophobicContact CE2-CG1 3.58Å
510	F	86.5	Confident	77.2	Confident	17 Å²	17	50.4 Å²	50.4	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.9	-177.5	-65.5	-89.9	0	0	0	110.8	Q300 M302 V466 D475 M477 R508	Q300-F510 HydrophobicContact CB-CD1 4.32Å; M302-F510 HydrophobicContact CB-CB 3.75Å; M302-F510 HydrophobicContact CB-CD1 4.37Å; M302-F510 HydrophobicContact CB-CD2 3.82Å; M302-F510 HydrophobicContact CB-CG 3.72Å; M302-F510 HydrophobicContact CG-CD2 4.1Å; M302-F510 HydrophobicContact CG-CE2 4.45Å; M302-F510 HydrophobicContact CG-CG 4.48Å; M302-F510 HydrophobicContact SD-CD2 4.36Å; V466-F510 VanDerWaalsContact CG1-O 3.28Å; V466-F510 WeakPolarHBondContact CG1-O 3.45Å; D475-F510 HydrophobicContact CB-CB 4.23Å; D475-F510 PolarHBondContact N-O 3.33Å; D475-F510 VanDerWaalsContact N-O 3.08Å; D475-F510 PolarHBondContact O-N 3.46Å; M477-F510 HydrophobicContact CB-CD2 4.16Å; M477-F510 HydrophobicContact CB-CE2 3.62Å; M477-F510 HydrophobicContact CE-CE2 3.62Å; M477-F510 HydrophobicContact CE-CZ 3.62Å; M477-F510 HydrophobicContact CG-CE2 4.31Å; M477-F510 HydrophobicContact SD-CE2 3.64Å; M477-F510 HydrophobicContact SD-CZ 3.91Å; R508-F510 HydrophobicContact CB-CE2 3.79Å; R508-F510 HydrophobicContact CB-CZ 4.19Å
511	A	83.1	Confident	77.3	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	145	176.9	0	0	0	0	0	110.8	V296 S298 Q300 V466 V513	V296-A511 HydrophobicContact CG1-CB 4.46Å; S298-A511 WeakPolarHBondContact O-CB 3.26Å; Q300-A511 PolarHBondContact O-N 2.87Å; V466-A511 HydrophobicContact CG1-CB 4.13Å; A511-V513 HydrophobicContact CB-CG2 4.1Å
512	V	76.9	Confident	77.6	Confident	39 Å²	39	47.9 Å²	47.9	24%	0.236	29%	0.292	C	S	.	.			trans	-105.7	104	166.5	-177.9	0	0	0	0	104.9	R428 D475	R428-V512 VanDerWaalsContact CZ-CG1 3.5Å; D475-V512 HydrophobicContact CB-CG2 4.36Å
513	V	64.6	Low	78.9	Confident	134 Å²	134	40.9 Å²	40.9	81%	0.812	24%	0.244	S	C	*	.			trans	-100	0	-178.7	-169.9	0	0	0	0	109.4	Q301 A511	Q301-V513 HydrophobicContact CG-CB 4.41Å; Q301-V513 HydrophobicContact CG-CG2 4.05Å; Q301-V513 PolarHBondContact NE2-O 3.06Å; A511-V513 HydrophobicContact CB-CG2 4.1Å

Retrieved 513 of 513 residues in 87.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).