A0A087XLJ6_POEFO Loading...

ADAM metallopeptidase domain 28

AlphaFold DB , UniProt , Accession A0A087XLJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 770 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	49.3	Very low	226 Å²	226	129.7 Å²	129.7	100%	1.113	66%	0.661	S	S	*	*				0	89	0	-69.6	158.3	166	0	0	107.3
2	T	45.1	Very low	48.6	Very low	101 Å²	101	128.1 Å²	128.1	62%	0.62	65%	0.654	S	S	*	*				99.9	136.7	60.6	49.3	0	0	0	0	111.6	T4 L5	T2-T4 PolarHBondContact O-N 3.49Å; T2-T4 PolarHBondContact OG1-OG1 3.14Å; T2-L5 PolarHBondContact O-N 2.84Å
3	R	44.9	Very low	47.8	Very low	226 Å²	226	127.2 Å²	127.2	85%	0.853	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-19.3	-173.2	-75.5	174.9	164.7	168.3	-7.4	114.9	L5 L6 L7	R3-L5 PolarHBondContact O-N 3.48Å; R3-L6 PolarHBondContact O-N 3.37Å; R3-L7 PolarHBondContact O-N 3.18Å
4	T	51.8	Low	47	Very low	88 Å²	88	123.4 Å²	123.4	54%	0.54	65%	0.649	S	S	.	*	H	α-helix	trans	-50.2	-39.1	174.9	2.8	0	0	0	0	113.8	T2 L7 L8	T2-T4 PolarHBondContact O-N 3.49Å; T2-T4 PolarHBondContact OG1-OG1 3.14Å; T4-L7 PolarHBondContact O-N 2.94Å; T4-L8 PolarHBondContact O-N 3.34Å; T4-L8 VanDerWaalsContact O-N 3.1Å
5	L	50.2	Low	46.3	Very low	128 Å²	128	121.4 Å²	121.4	67%	0.67	65%	0.649	S	S	*	*	H	α-helix	trans	-70.6	-35.3	-174.7	-148.3	78.8	0	0	0	112.8	T2 R3 L8 V9	T2-L5 PolarHBondContact O-N 2.84Å; R3-L5 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.49Å; L5-V9 PolarHBondContact O-N 3.25Å
6	L	51.2	Low	45.5	Very low	140 Å²	140	122.6 Å²	122.6	73%	0.733	65%	0.654	S	S	*	*	H	α-helix	trans	-72.7	-37.1	178.8	-145.2	78.9	0	0	0	111.5	R3 V9 V10	R3-L6 PolarHBondContact O-N 3.37Å; L6-V9 PolarHBondContact O-N 3.4Å; L6-V10 PolarHBondContact O-N 2.88Å
7	L	52.2	Low	44.6	Very low	102 Å²	102	129.2 Å²	129.2	53%	0.534	67%	0.668	S	S	.	*	H	α-helix	trans	-63.3	-40.1	173.6	-83	159.6	0	0	0	112.1	R3 T4 V9 V10 F11	R3-L7 PolarHBondContact O-N 3.18Å; T4-L7 PolarHBondContact O-N 2.94Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 2.89Å; L7-V10 PolarHBondContact O-N 3.22Å; L7-F11 WeakPolarHBondContact O-CD2 3.35Å; L7-F11 PolarHBondContact O-N 3.29Å
8	L	50.9	Low	43.5	Very low	99 Å²	99	127.8 Å²	127.8	52%	0.518	67%	0.671	S	S	.	*	H	α-helix	trans	-59.8	-40.8	175.9	-89.8	160.9	0	0	0	112.8	T4 L5 V10 F11 L12	T4-L8 PolarHBondContact O-N 3.34Å; T4-L8 VanDerWaalsContact O-N 3.1Å; L5-L8 PolarHBondContact O-N 3.49Å; L8-V10 VanDerWaalsContact C-N 3.35Å; L8-F11 PolarHBondContact O-N 2.86Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.5Å
9	V	52.8	Low	42.7	Very low	84 Å²	84	127.4 Å²	127.4	51%	0.509	68%	0.681	S	S	.	*	H	α-helix	trans	-67.1	-35.4	177.1	177	0	0	0	0	111.7	L5 L6 L7 N13	L5-V9 PolarHBondContact O-N 3.25Å; L6-V9 PolarHBondContact O-N 3.4Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 2.89Å; V9-N13 PolarHBondContact O-N 3.42Å; V9-N13 PolarHBondContact O-ND2 3.28Å
10	V	51.8	Low	41.8	Very low	95 Å²	95	129.4 Å²	129.4	58%	0.576	69%	0.685	S	S	*	*	H	α-helix	trans	-69.2	-44.3	174.8	176	0	0	0	0	111.3	L6 L7 L8 L12 N13 A14	L6-V10 PolarHBondContact O-N 2.88Å; L7-V10 PolarHBondContact O-N 3.22Å; L8-V10 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 2.86Å; V10-N13 PolarHBondContact O-N 3.1Å; V10-A14 PolarHBondContact O-N 2.87Å
11	F	48.4	Very low	41.1	Very low	138 Å²	138	127.8 Å²	127.8	61%	0.605	69%	0.685	S	S	*	*	H	α-helix	trans	-67.2	-34.7	178.4	-92.3	-82.4	0	0	0	113.7	L7 L8 A14 S15	L7-F11 WeakPolarHBondContact O-CD2 3.35Å; L7-F11 PolarHBondContact O-N 3.29Å; L8-F11 PolarHBondContact O-N 2.86Å; F11-A14 PolarHBondContact O-N 3.22Å; F11-S15 WeakPolarHBondContact O-CB 3.35Å; F11-S15 PolarHBondContact O-N 2.89Å; F11-S15 PolarHBondContact O-OG 3.29Å
12	L	40.7	Very low	40.3	Very low	110 Å²	110	125.5 Å²	125.5	58%	0.576	67%	0.671	S	S	*	*	H	α-helix	trans	-65.2	-40.9	174.4	-85.4	161.1	0	0	0	112.2	L8 V10 A14 S15 L16	L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.5Å; V10-L12 PolarHBondContact O-N 2.86Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-S15 PolarHBondContact O-N 3.43Å; L12-L16 PolarHBondContact O-N 2.85Å
13	N	37.9	Very low	39.3	Very low	116 Å²	116	126.7 Å²	126.7	62%	0.62	67%	0.674	S	S	*	*	H	α-helix	trans	-71.7	-26.3	174.6	-74.9	-73.5	0	0	0	113.1	V9 V10	V9-N13 PolarHBondContact O-N 3.42Å; V9-N13 PolarHBondContact O-ND2 3.28Å; V10-N13 PolarHBondContact O-N 3.1Å
14	A	36	Very low	38.7	Very low	74 Å²	74	120.2 Å²	120.2	61%	0.612	66%	0.661	S	S	*	*	H	α-helix	trans	-77.4	-19.7	173.3	0	0	0	0	0	113.7	V10 F11 L12	V10-A14 PolarHBondContact O-N 2.87Å; F11-A14 PolarHBondContact O-N 3.22Å; L12-A14 VanDerWaalsContact C-N 3.34Å
15	S	37.8	Very low	37.5	Very low	94 Å²	94	122.8 Å²	122.8	66%	0.657	68%	0.677	S	S	*	*	H	α-helix	trans	-90.4	-18.1	-178.3	-58.7	0	0	0	0	113.1	F11 L12 R17	F11-S15 WeakPolarHBondContact O-CB 3.35Å; F11-S15 PolarHBondContact O-N 2.89Å; F11-S15 PolarHBondContact O-OG 3.29Å; L12-S15 PolarHBondContact O-N 3.43Å; S15-R17 VanDerWaalsContact C-N 3.33Å; S15-R17 PolarHBondContact O-N 2.88Å
16	L	32.5	Very low	36.8	Very low	140 Å²	140	122.8 Å²	122.8	73%	0.733	67%	0.671	S	S	*	*			trans	-86.1	70.7	169.3	-80.1	161.3	0	0	0	110.7	L12 S18	L12-L16 PolarHBondContact O-N 2.85Å; L16-S18 PolarHBondContact O-N 2.86Å
17	R	29.9	Very low	35.9	Very low	235 Å²	235	124.9 Å²	124.9	89%	0.887	68%	0.678	S	S	*	*			trans	-62.2	116.8	151.1	-83.7	-170.3	174.1	-171.3	-2.6	106.9	S15 S19	S15-R17 VanDerWaalsContact C-N 3.33Å; S15-R17 PolarHBondContact O-N 2.88Å; R17-S19 PolarHBondContact O-N 3.26Å
18	S	26.2	Very low	34.9	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	70%	0.698	S	S	*	*			trans	-49.7	138.5	159.5	-87.8	0	0	0	0	108.4	L16 E20	L16-S18 PolarHBondContact O-N 2.86Å; S18-E20 PolarHBondContact O-N 3.43Å
19	S	27.3	Very low	34.2	Very low	121 Å²	121	126.4 Å²	126.4	85%	0.846	71%	0.709	S	S	*	*			trans	-65.9	89.8	161.6	-177.4	0	0	0	0	106.8	R17 S21	R17-S19 PolarHBondContact O-N 3.26Å; S19-S21 PolarHBondContact O-N 2.88Å
20	E	25.6	Very low	33.9	Very low	166 Å²	166	125.5 Å²	125.5	78%	0.776	70%	0.704	S	S	*	*			trans	-58.3	107.1	167.6	-77.1	-170.6	120.7	0	0	107	S18 H22	S18-E20 PolarHBondContact O-N 3.43Å; E20-H22 VanDerWaalsContact C-N 3.33Å; E20-H22 PolarHBondContact O-N 2.88Å
21	S	25.8	Very low	34.5	Very low	97 Å²	97	128.4 Å²	128.4	68%	0.678	72%	0.717	S	S	*	*			trans	-58	102.2	166.6	177.6	0	0	0	0	106.7	S19 N23	S19-S21 PolarHBondContact O-N 2.88Å; S21-N23 PolarHBondContact O-N 2.85Å
22	H	27	Very low	35.6	Very low	177 Å²	177	128 Å²	128	82%	0.819	71%	0.712	S	S	*	*			trans	-63.2	82.1	166.5	-83.5	-56.6	0	0	0	108.3	E20 P24	E20-H22 VanDerWaalsContact C-N 3.33Å; E20-H22 PolarHBondContact O-N 2.88Å; H22-P24 VanDerWaalsContact O-CD 3.3Å; H22-P24 WeakPolarHBondContact O-CD 3.43Å
23	N	24.5	Very low	37.8	Very low	127 Å²	127	126.2 Å²	126.2	68%	0.679	70%	0.701	S	S	*	*			trans	-54.5	118.5	156.1	-94	0.9	0	0	0	106	S21 T25	S21-N23 PolarHBondContact O-N 2.85Å; N23-T25 PolarHBondContact O-N 3.45Å
24	P	31.5	Very low	40.1	Very low	89 Å²	89	124.3 Å²	124.3	58%	0.578	69%	0.693	S	S	*	*			trans	-64.6	114.7	172.5	27.2	-32.4	0	0	0	107.4	H22 F26	H22-P24 VanDerWaalsContact O-CD 3.3Å; H22-P24 WeakPolarHBondContact O-CD 3.43Å; P24-F26 HydrophobicContact CB-CD2 3.79Å; P24-F26 HydrophobicContact CB-CE2 3.73Å; P24-F26 HydrophobicContact CG-CD2 3.92Å; P24-F26 HydrophobicContact CG-CE2 3.81Å; P24-F26 PolarHBondContact O-N 3.48Å
25	T	26.3	Very low	42.6	Very low	143 Å²	143	121.2 Å²	121.2	88%	0.877	67%	0.667	S	S	*	*			trans	-73.6	76.2	175	50.3	0	0	0	0	109.3	N23	N23-T25 PolarHBondContact O-N 3.45Å
26	F	36.4	Very low	45	Very low	127 Å²	127	124.6 Å²	124.6	56%	0.557	67%	0.665	S	S	*	*			trans	-65.1	151.6	167	-83.4	-88.6	0	0	0	110.7	P24	P24-F26 HydrophobicContact CB-CD2 3.79Å; P24-F26 HydrophobicContact CB-CE2 3.73Å; P24-F26 HydrophobicContact CG-CD2 3.92Å; P24-F26 HydrophobicContact CG-CE2 3.81Å; P24-F26 PolarHBondContact O-N 3.48Å
27	E	31.8	Very low	47.6	Very low	185 Å²	185	118 Å²	118	86%	0.864	63%	0.631	S	S	*	*			trans	-63.3	137.9	168.4	-63	-175.7	126.7	0	0	110.2	G29	E27-G29 PolarHBondContact O-N 3.35Å
28	V	31.6	Very low	50.2	Low	158 Å²	158	110.5 Å²	110.5	96%	0.958	61%	0.611	S	S	*	*	S	Bend	trans	-76.1	96.7	-174.7	-179.4	0	0	0	0	109.6
29	G	36.2	Very low	52.9	Low	74 Å²	74	108.6 Å²	108.6	76%	0.763	59%	0.588	S	S	*	*			trans	-177.5	-3.1	178.5	0	0	0	0	0	121.1	E27	E27-G29 PolarHBondContact O-N 3.35Å
30	T	47.4	Very low	55.3	Low	65 Å²	65	106.9 Å²	106.9	40%	0.399	57%	0.568	S	S	.	*			trans	-117.1	125.3	-175.7	45.3	0	0	0	0	113.8	Y32	T30-Y32 PolarHBondContact O-N 3.33Å
31	D	64.1	Low	56.9	Low	157 Å²	157	105 Å²	105	84%	0.84	56%	0.559	S	S	*	*			trans	-73.4	119.1	165.6	-77.2	-39.9	0	0	0	109.5
32	Y	71.4	Confident	58	Low	130 Å²	130	104.4 Å²	104.4	51%	0.51	56%	0.56	S	S	.	*			trans	-125.8	145.7	175.2	64.1	-91	0	0	0	111.7	T30 V34 L142 A151 T153	T30-Y32 PolarHBondContact O-N 3.33Å; Y32-V34 HydrophobicContact CD2-CG2 3.99Å; Y32-V34 HydrophobicContact CE2-CG2 3.66Å; Y32-L142 HydrophobicContact CE2-CD1 4.33Å; Y32-A151 HydrophobicContact CD2-CB 3.64Å; Y32-A151 HydrophobicContact CE2-CB 4.26Å; Y32-A151 HydrophobicContact CG-CB 4.05Å; Y32-T153 WeakPolarHBondContact CB-OG1 3.16Å
33	E	85.8	Confident	58.6	Low	72 Å²	72	102.9 Å²	102.9	34%	0.336	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	124.5	174.9	-173.6	175.9	-167.4	0	0	109.1	V35 V62 G63 V152	E33-V35 HydrophobicContact CG-CG1 4.04Å; E33-V35 PolarHBondContact O-N 2.91Å; E33-V62 WeakPolarHBondContact OE2-CG1 3.41Å; E33-G63 VanDerWaalsContact CD-N 3.28Å; E33-G63 PolarHBondContact OE1-N 3.49Å; E33-G63 PolarHBondContact OE2-N 3.47Å; E33-V152 PolarHBondContact N-O 2.89Å; E33-V152 PolarHBondContact O-N 3.31Å
34	V	86.9	Confident	59.4	Low	76 Å²	76	108.1 Å²	108.1	46%	0.461	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.2	116.6	174.7	-179.7	0	0	0	0	109.4	Y32 L142 E149 H150	Y32-V34 HydrophobicContact CD2-CG2 3.99Å; Y32-V34 HydrophobicContact CE2-CG2 3.66Å; V34-L142 HydrophobicContact CG1-CD1 4.26Å; V34-L142 HydrophobicContact CG2-CD1 4.01Å; V34-E149 HydrophobicContact CG1-CB 4.26Å; V34-E149 HydrophobicContact CG1-CG 4.47Å; V34-H150 WeakPolarHBondContact CA-O 3.34Å
35	V	88.9	Confident	59.6	Low	9 Å²	9	112.4 Å²	112.4	6%	0.055	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.4	161.8	179	-50.7	0	0	0	0	110.9	E33 M60 T61 V62 H150 V152	E33-V35 HydrophobicContact CG-CG1 4.04Å; E33-V35 PolarHBondContact O-N 2.91Å; V35-M60 HydrophobicContact CG2-SD 4.24Å; V35-T61 WeakPolarHBondContact CG1-O 3.2Å; V35-V62 HydrophobicContact CG1-CG2 4.33Å; V35-H150 HydrophobicContact CG2-CB 4.11Å; V35-H150 PolarHBondContact N-O 3.37Å; V35-H150 PolarHBondContact O-N 3.41Å; V35-V152 HydrophobicContact CG1-CB 4.26Å; V35-V152 HydrophobicContact CG1-CG2 4.18Å; V35-V152 HydrophobicContact CG2-CB 4.4Å; V35-V152 HydrophobicContact CG2-CG2 3.51Å
36	R	86.8	Confident	60.2	Low	164 Å²	164	117.7 Å²	117.7	62%	0.619	59%	0.587	S	S	*	*			trans	-126.8	103.7	171.4	-65.9	-175.1	-169.1	147.7	-1.3	109.2	E149	R36-E149 HydrophobicContact CG-CG 4Å; R36-E149 IonicContact CZ-OE1 3.97Å; R36-E149 VanDerWaalsContact CZ-OE1 3.3Å; R36-E149 IonicContact NE-OE1 2.7Å; R36-E149 PolarHBondContact NE-OE1 3.34Å; R36-E149 VanDerWaalsContact NE-OE1 3.14Å; R36-E149 IonicContact NH2-OE1 2.71Å; R36-E149 PolarHBondContact NH2-OE1 3.23Å
37	P	87.5	Confident	60.3	Low	2 Å²	2	116.2 Å²	116.2	1%	0.013	59%	0.592	C	S	.	*			trans	-63.3	137.5	174.7	-19.7	33.2	0	0	0	111.2	Y58 M60 L126 I139 E147 G148 H150	P37-Y58 HydrophobicContact CB-CD1 3.96Å; P37-Y58 HydrophobicContact CB-CG 4.35Å; P37-M60 HydrophobicContact CG-SD 4.44Å; P37-L126 HydrophobicContact CB-CD1 3.7Å; P37-L126 HydrophobicContact CG-CD1 3.67Å; P37-L126 HydrophobicContact CG-CG 4.4Å; P37-I139 HydrophobicContact CG-CD1 4.26Å; P37-E147 WeakPolarHBondContact O-CA 3.34Å; P37-G148 VanDerWaalsContact CD-O 3.27Å; P37-G148 WeakPolarHBondContact CD-O 3.17Å; P37-H150 WeakPolarHBondContact CD-ND1 3.46Å
38	V	85.4	Confident	60.5	Low	77 Å²	77	113.5 Å²	113.5	47%	0.467	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	124.5	178	-179.2	0	0	0	0	109.2	L40 Y58 A59	V38-L40 PolarHBondContact O-N 2.99Å; V38-Y58 CarbonylContact O-C 3.56Å; V38-Y58 WeakPolarHBondContact O-CA 3.48Å; V38-A59 PolarHBondContact N-O 2.91Å; V38-A59 PolarHBondContact O-N 2.92Å
39	R	82.8	Confident	60.8	Low	65 Å²	65	114.2 Å²	114.2	25%	0.245	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.1	113	-173.3	-162.8	167.2	170.2	162.1	-1.7	110.9	H41 P53 K57 Y58 D146 E147	R39-H41 VanDerWaalsContact C-N 3.35Å; R39-H41 PolarHBondContact O-N 3.49Å; R39-P53 VanDerWaalsContact NH2-CG 3.26Å; R39-K57 CarbonylContact C-O 3.57Å; R39-K57 WeakPolarHBondContact CA-O 3.36Å; R39-Y58 HydrophobicContact CB-CD1 4.04Å; R39-Y58 HydrophobicContact CB-CE1 3.77Å; R39-Y58 HydrophobicContact CG-CD1 4.29Å; R39-Y58 HydrophobicContact CG-CE1 3.77Å; R39-D146 IonicContact CZ-OD2 2.82Å; R39-D146 IonicContact NH1-OD2 3.22Å; R39-D146 PolarHBondContact NH1-OD2 3.48Å; R39-E147 HydrophobicContact CB-CG 4.09Å; R39-E147 WeakPolarHBondContact CB-OE1 3Å; R39-E147 PolarHBondContact N-OE1 3.34Å
40	L	76.6	Confident	61.2	Low	85 Å²	85	118.6 Å²	118.6	45%	0.445	59%	0.587	S	S	.	*	S	Bend	trans	-75.8	-15.6	-168.1	-65.4	179.4	0	0	0	114.9	V38 K57 A59	V38-L40 PolarHBondContact O-N 2.99Å; L40-K57 HydrophobicContact CB-CB 4.05Å; L40-K57 HydrophobicContact CD1-CB 4.33Å; L40-K57 PolarHBondContact N-O 3.49Å; L40-A59 HydrophobicContact CD1-CB 4.13Å; L40-A59 HydrophobicContact CD2-CB 3.81Å; L40-A59 HydrophobicContact CG-CB 4.09Å
41	H	59.8	Low	61.6	Low	126 Å²	126	120.5 Å²	120.5	58%	0.583	60%	0.598	S	S	*	*			trans	-128.4	104.9	-179.8	-73.1	-12.8	0	0	0	111.1	R39	R39-H41 VanDerWaalsContact C-N 3.35Å; R39-H41 PolarHBondContact O-N 3.49Å
42	A	48.5	Very low	61.7	Low	84 Å²	84	116 Å²	116	69%	0.694	57%	0.569	S	S	*	*			trans	-132.6	43	-173.5	0	0	0	0	0	113.5	R44	A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 3.09Å
43	V	40.8	Very low	61.6	Low	145 Å²	145	112.2 Å²	112.2	88%	0.879	56%	0.561	S	S	*	*			trans	-78.1	79.3	170.2	-173.7	0	0	0	0	109.6	K45	V43-K45 PolarHBondContact O-N 2.9Å
44	R	41.8	Very low	60.8	Low	238 Å²	238	110.8 Å²	110.8	90%	0.898	55%	0.554	S	S	*	*			trans	-63.4	98.7	170.1	-92.3	-176.5	165.9	169.3	-3.4	110.2	A42 R46	A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 3.09Å; R44-R46 PolarHBondContact O-N 3.39Å
45	K	34.8	Very low	60.4	Low	178 Å²	178	110.9 Å²	110.9	77%	0.774	56%	0.555	S	S	*	*			trans	-59.2	123.1	155.7	-88.8	-174.5	174.4	178.1	0	107.9	V43 S47	V43-K45 PolarHBondContact O-N 2.9Å; K45-S47 PolarHBondContact O-N 2.73Å
46	R	38.1	Very low	60.2	Low	255 Å²	255	110.7 Å²	110.7	96%	0.962	55%	0.554	S	S	*	*	S	Bend	trans	-78	54.6	176.2	-80.6	-176.1	162.5	-174.7	-4.5	112.2	R44	R44-R46 PolarHBondContact O-N 3.39Å
47	S	39.5	Very low	60.2	Low	95 Å²	95	105.7 Å²	105.7	66%	0.664	54%	0.537	S	S	*	.			trans	-175.7	80.6	170.1	57.4	0	0	0	0	113	K45	K45-S47 PolarHBondContact O-N 2.73Å
48	T	35.3	Very low	60.3	Low	128 Å²	128	105.6 Å²	105.6	79%	0.785	54%	0.536	S	S	*	.			trans	-172.1	146.7	148.1	22.8	0	0	0	0	108.3
49	E	38.4	Very low	60.4	Low	173 Å²	173	102.9 Å²	102.9	81%	0.808	52%	0.522	S	S	*	.			trans	-84.6	144.3	176.4	-67.7	161.6	125.8	0	0	110.8	V51	E49-V51 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.1Å
50	N	44.4	Very low	60.7	Low	167 Å²	167	100.1 Å²	100.1	89%	0.893	51%	0.512	S	S	*	.	S	Bend	trans	48.3	12.9	154.9	-59.5	-6.7	0	0	0	121.9	R52	N50-R52 PolarHBondContact O-N 3.38Å
51	V	56	Low	61.3	Low	105 Å²	105	99.4 Å²	99.4	64%	0.636	51%	0.511	S	S	*	.			trans	-82.7	115.4	174.6	-178.2	0	0	0	0	112.2	E49	E49-V51 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.1Å
52	R	67.3	Low	62.5	Low	61 Å²	61	93.4 Å²	93.4	23%	0.23	48%	0.483	C	S	.	.			trans	-63.3	124.8	164.3	-65.6	-82.8	-174.1	167.5	-7.2	109	N50 K73 D102 T122 C123	N50-R52 PolarHBondContact O-N 3.38Å; R52-K73 HydrophobicContact CB-CD 4.21Å; R52-D102 WeakPolarHBondContact CG-OD1 3.29Å; R52-D102 IonicContact CZ-OD1 3.3Å; R52-D102 IonicContact CZ-OD2 3.18Å; R52-D102 VanDerWaalsContact CZ-OD2 3.29Å; R52-D102 IonicContact NE-OD1 2.67Å; R52-D102 PolarHBondContact NE-OD1 2.79Å; R52-D102 IonicContact NE-OD2 2.69Å; R52-D102 PolarHBondContact NE-OD2 2.83Å; R52-D102 VanDerWaalsContact NE-OD2 3.12Å; R52-D102 IonicContact NH2-OD1 2.65Å; R52-D102 IonicContact NH2-OD2 2.73Å; R52-D102 PolarHBondContact NH2-OD2 2.77Å; R52-T122 PolarHBondContact NH1-O 3.07Å; R52-T122 PolarHBondContact NH1-OG1 3.26Å; R52-T122 VanDerWaalsContact NH1-OG1 3.12Å; R52-C123 PolarHBondContact NH2-O 3.26Å; R52-C123 VanDerWaalsContact NH2-O 3.08Å
53	P	68.9	Low	63.8	Low	51 Å²	51	92 Å²	92	33%	0.331	48%	0.477	S	S	.	.			trans	-78.4	148	-174.7	30.1	-34.3	0	0	0	113.3	R39 T55 I56 Y106	R39-P53 VanDerWaalsContact NH2-CG 3.26Å; P53-T55 PolarHBondContact O-N 2.95Å; P53-I56 HydrophobicContact CG-CG2 3.79Å; P53-Y106 WeakPolarHBondContact O-CE1 3.41Å; P53-Y106 PolarHBondContact O-OH 3.17Å
54	E	68.9	Low	65.6	Low	42 Å²	42	88.3 Å²	88.3	20%	0.196	47%	0.468	C	S	.	.	S	Bend	trans	-64.5	-32.5	-171.5	-51.8	-45.7	125.5	0	0	114.8	E72 K73 N75 V403	E54-E72 WeakPolarHBondContact O-CA 3.35Å; E54-K73 WeakPolarHBondContact O-CB 3.39Å; E54-K73 PolarHBondContact O-N 3.12Å; E54-K73 IonicContact OE1-NZ 2.7Å; E54-K73 PolarHBondContact OE1-NZ 2.86Å; E54-K73 IonicContact OE2-NZ 3.7Å; E54-K73 PolarHBondContact OE2-NZ 2.88Å; E54-N75 PolarHBondContact OE2-ND2 3.41Å; E54-N75 PolarHBondContact OE2-OD1 2.96Å; E54-V403 HydrophobicContact CB-CG2 4.47Å; E54-V403 HydrophobicContact CG-CG2 4.28Å
55	T	78	Confident	67.5	Low	79 Å²	79	83.4 Å²	83.4	49%	0.485	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.9	172.7	61.2	0	0	0	0	111	P53 L71 E72	P53-T55 PolarHBondContact O-N 2.95Å; T55-L71 WeakPolarHBondContact CA-O 3.2Å; T55-E72 HydrophobicContact CG2-CG 3.9Å
56	I	85.4	Confident	69.9	Low	5 Å²	5	80.6 Å²	80.6	3%	0.026	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.7	176.5	61.7	-171.3	0	0	0	109.9	P53 Y58 L71 Y106 T122	P53-I56 HydrophobicContact CG-CG2 3.79Å; I56-Y58 HydrophobicContact CB-CE2 4.26Å; I56-Y58 HydrophobicContact CD1-CE2 3.65Å; I56-Y58 HydrophobicContact CG1-CE2 3.85Å; I56-L71 HydrophobicContact CD1-CB 4.42Å; I56-L71 HydrophobicContact CD1-CD1 4.25Å; I56-L71 HydrophobicContact CG1-CB 3.73Å; I56-L71 HydrophobicContact CG1-CD1 4.17Å; I56-L71 HydrophobicContact CG1-CG 4.48Å; I56-L71 PolarHBondContact N-O 3.31Å; I56-L71 PolarHBondContact O-N 3.33Å; I56-Y106 HydrophobicContact CD1-CD1 3.79Å; I56-Y106 HydrophobicContact CD1-CD2 4.02Å; I56-Y106 HydrophobicContact CD1-CE1 3.57Å; I56-Y106 HydrophobicContact CD1-CE2 3.8Å; I56-Y106 HydrophobicContact CD1-CG 4.05Å; I56-Y106 HydrophobicContact CG1-CD1 3.95Å; I56-Y106 HydrophobicContact CG1-CE1 3.81Å; I56-Y106 HydrophobicContact CG2-CE1 4.35Å; I56-T122 HydrophobicContact CD1-CG2 3.68Å
57	K	86.7	Confident	72.2	Confident	59 Å²	59	68.7 Å²	68.7	26%	0.257	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126	-177.8	-64.8	-173.7	178.2	-168.9	0	109.5	R39 L40 L69 Q70	R39-K57 CarbonylContact C-O 3.57Å; R39-K57 WeakPolarHBondContact CA-O 3.36Å; L40-K57 HydrophobicContact CB-CB 4.05Å; L40-K57 HydrophobicContact CD1-CB 4.33Å; L40-K57 PolarHBondContact N-O 3.49Å; K57-L69 CarbonylContact C-O 3.55Å; K57-L69 VanDerWaalsContact CA-O 3.26Å; K57-L69 WeakPolarHBondContact CA-O 3.43Å; K57-Q70 HydrophobicContact CG-CB 4.43Å
58	Y	88.8	Confident	74.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.5	176.9	-65.1	-77.7	0	0	0	110.7	P37 V38 R39 I56 H68 L69 L71 L126 D146	P37-Y58 HydrophobicContact CB-CD1 3.96Å; P37-Y58 HydrophobicContact CB-CG 4.35Å; V38-Y58 CarbonylContact O-C 3.56Å; V38-Y58 WeakPolarHBondContact O-CA 3.48Å; R39-Y58 HydrophobicContact CB-CD1 4.04Å; R39-Y58 HydrophobicContact CB-CE1 3.77Å; R39-Y58 HydrophobicContact CG-CD1 4.29Å; R39-Y58 HydrophobicContact CG-CE1 3.77Å; I56-Y58 HydrophobicContact CB-CE2 4.26Å; I56-Y58 HydrophobicContact CD1-CE2 3.65Å; I56-Y58 HydrophobicContact CG1-CE2 3.85Å; Y58-H68 CarbonylContact O-C 3.53Å; Y58-H68 WeakPolarHBondContact O-CA 3.44Å; Y58-L69 PolarHBondContact N-O 3.28Å; Y58-L69 PolarHBondContact O-N 3.3Å; Y58-L71 HydrophobicContact CD2-CD1 4.03Å; Y58-L71 HydrophobicContact CE2-CD1 4.14Å; Y58-L126 HydrophobicContact CD1-CD1 4.2Å; Y58-L126 HydrophobicContact CD2-CD1 3.86Å; Y58-L126 HydrophobicContact CD2-CD2 4.32Å; Y58-L126 HydrophobicContact CE1-CD1 4.39Å; Y58-L126 HydrophobicContact CE1-CD2 4.44Å; Y58-L126 HydrophobicContact CE2-CD1 4.05Å; Y58-L126 HydrophobicContact CE2-CD2 3.68Å; Y58-L126 HydrophobicContact CG-CD1 3.95Å; Y58-D146 HydrophobicContact CE1-CB 4.49Å; Y58-D146 PolarHBondContact OH-OD2 2.64Å; Y58-D146 VanDerWaalsContact OH-OD2 3.09Å
59	A	87.9	Confident	76.9	Confident	20 Å²	20	62.1 Å²	62.1	17%	0.165	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.4	163	0	0	0	0	0	110	V38 L40 I67	V38-A59 PolarHBondContact N-O 2.91Å; V38-A59 PolarHBondContact O-N 2.92Å; L40-A59 HydrophobicContact CD1-CB 4.13Å; L40-A59 HydrophobicContact CD2-CB 3.81Å; L40-A59 HydrophobicContact CG-CB 4.09Å; A59-I67 WeakPolarHBondContact CA-O 3.29Å
60	M	89.6	Confident	79.2	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	141.6	170	54.1	-175.6	177.1	0	0	109.6	V35 P37 V62 I67 L69 F130 I139	V35-M60 HydrophobicContact CG2-SD 4.24Å; P37-M60 HydrophobicContact CG-SD 4.44Å; M60-V62 HydrophobicContact CE-CG2 4.33Å; M60-V62 HydrophobicContact CG-CG2 3.93Å; M60-V62 HydrophobicContact SD-CG2 4.14Å; M60-I67 HydrophobicContact CE-CG2 4.17Å; M60-I67 HydrophobicContact CG-CB 4.42Å; M60-I67 PolarHBondContact N-O 3.34Å; M60-I67 PolarHBondContact O-N 3.02Å; M60-L69 HydrophobicContact CE-CD1 3.52Å; M60-L69 HydrophobicContact CE-CG 4.03Å; M60-F130 HydrophobicContact CE-CD1 4.18Å; M60-F130 HydrophobicContact CE-CD2 4.39Å; M60-F130 HydrophobicContact CE-CE1 3.53Å; M60-F130 HydrophobicContact CE-CE2 3.77Å; M60-F130 HydrophobicContact CE-CZ 3.29Å; M60-F130 HydrophobicContact SD-CZ 4.47Å; M60-I139 HydrophobicContact SD-CD1 4.07Å
61	T	87.9	Confident	81	Confident	70 Å²	70	48.8 Å²	48.8	43%	0.429	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.8	169.7	-45.9	0	0	0	0	108.7	V35 R65 D66	V35-T61 WeakPolarHBondContact CG1-O 3.2Å; T61-R65 CarbonylContact C-O 3.57Å; T61-R65 WeakPolarHBondContact CA-O 3.39Å; T61-D66 WeakPolarHBondContact CB-OD1 3.39Å; T61-D66 WeakPolarHBondContact CG2-OD1 3.29Å; T61-D66 PolarHBondContact OG1-OD1 2.85Å
62	V	84.6	Confident	82.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.6	179	-171.5	0	0	0	0	108.7	E33 V35 M60 G64 R65 I67 F130 Y137 V152	E33-V62 WeakPolarHBondContact OE2-CG1 3.41Å; V35-V62 HydrophobicContact CG1-CG2 4.33Å; M60-V62 HydrophobicContact CE-CG2 4.33Å; M60-V62 HydrophobicContact CG-CG2 3.93Å; M60-V62 HydrophobicContact SD-CG2 4.14Å; V62-G64 PolarHBondContact O-N 2.91Å; V62-R65 PolarHBondContact N-O 3.32Å; V62-R65 PolarHBondContact O-N 2.93Å; V62-I67 HydrophobicContact CB-CD1 3.83Å; V62-I67 HydrophobicContact CB-CG1 4.48Å; V62-I67 HydrophobicContact CG2-CD1 3.92Å; V62-I67 HydrophobicContact CG2-CG1 4.45Å; V62-F130 HydrophobicContact CG2-CZ 4.35Å; V62-Y137 HydrophobicContact CG1-CD1 3.74Å; V62-Y137 HydrophobicContact CG1-CE1 3.32Å; V62-Y137 HydrophobicContact CG1-CG 4.49Å; V62-V152 HydrophobicContact CG1-CB 4.5Å; V62-V152 HydrophobicContact CG1-CG1 3.61Å
63	G	77.5	Confident	82.5	Confident	55 Å²	55	46 Å²	46	57%	0.567	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	26.4	-176.2	0	0	0	0	0	113.1	E33 R65	E33-G63 VanDerWaalsContact CD-N 3.28Å; E33-G63 PolarHBondContact OE1-N 3.49Å; E33-G63 PolarHBondContact OE2-N 3.47Å; G63-R65 VanDerWaalsContact C-N 3.29Å; G63-R65 PolarHBondContact O-N 2.96Å
64	G	78.1	Confident	82.4	Confident	67 Å²	67	44 Å²	44	69%	0.691	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	13.5	-171.7	0	0	0	0	0	115.4	V62	V62-G64 PolarHBondContact O-N 2.91Å
65	R	81.4	Confident	81.9	Confident	135 Å²	135	42.1 Å²	42.1	51%	0.509	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.8	172.8	-61	-177.4	179.9	-174.9	3.3	110.5	T61 V62 G63 I67 E134	T61-R65 CarbonylContact C-O 3.57Å; T61-R65 WeakPolarHBondContact CA-O 3.39Å; V62-R65 PolarHBondContact N-O 3.32Å; V62-R65 PolarHBondContact O-N 2.93Å; G63-R65 VanDerWaalsContact C-N 3.29Å; G63-R65 PolarHBondContact O-N 2.96Å; R65-I67 PolarHBondContact O-N 2.93Å; R65-E134 IonicContact CZ-OE2 3.43Å; R65-E134 IonicContact NH1-OE2 3.57Å; R65-E134 PolarHBondContact NH1-OE2 3.05Å; R65-E134 IonicContact NH2-OE2 3.28Å; R65-E134 PolarHBondContact NH2-OE2 3.24Å
66	D	85.6	Confident	80.8	Confident	119 Å²	119	39.8 Å²	39.8	64%	0.636	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	121	174.9	-64.1	-37	0	0	0	110.8	T61	T61-D66 WeakPolarHBondContact CB-OD1 3.39Å; T61-D66 WeakPolarHBondContact CG2-OD1 3.29Å; T61-D66 PolarHBondContact OG1-OD1 2.85Å
67	I	86.9	Confident	79.7	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.1	-180	-63.6	-173.8	0	0	0	108.6	A59 M60 V62 R65 L69 I110 F130 T132 Y137	A59-I67 WeakPolarHBondContact CA-O 3.29Å; M60-I67 HydrophobicContact CE-CG2 4.17Å; M60-I67 HydrophobicContact CG-CB 4.42Å; M60-I67 PolarHBondContact N-O 3.34Å; M60-I67 PolarHBondContact O-N 3.02Å; V62-I67 HydrophobicContact CB-CD1 3.83Å; V62-I67 HydrophobicContact CB-CG1 4.48Å; V62-I67 HydrophobicContact CG2-CD1 3.92Å; V62-I67 HydrophobicContact CG2-CG1 4.45Å; R65-I67 PolarHBondContact O-N 2.93Å; I67-L69 HydrophobicContact CG2-CG 4.33Å; I67-I110 HydrophobicContact CG2-CD1 3.9Å; I67-I110 HydrophobicContact CG2-CG1 3.95Å; I67-I110 HydrophobicContact CG2-CG2 4.04Å; I67-F130 HydrophobicContact CD1-CE2 3.78Å; I67-F130 HydrophobicContact CG2-CE2 4.4Å; I67-T132 HydrophobicContact CD1-CG2 4.43Å; I67-Y137 HydrophobicContact CD1-CE2 4.15Å
68	H	88	Confident	78.5	Confident	84 Å²	84	37.5 Å²	37.5	39%	0.389	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	102.1	170.4	-61.7	149.7	0	0	0	109.2	Y58 I110 V111	Y58-H68 CarbonylContact O-C 3.53Å; Y58-H68 WeakPolarHBondContact O-CA 3.44Å; H68-I110 CarbonylContact O-C 3.59Å; H68-I110 WeakPolarHBondContact O-CA 3.5Å; H68-V111 HydrophobicContact CB-CB 4.01Å; H68-V111 HydrophobicContact CB-CG2 3.89Å; H68-V111 PolarHBondContact O-N 2.8Å
69	L	85.1	Confident	77.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124	168.9	-73.7	174.2	0	0	0	109.2	K57 Y58 M60 I67 L71 I110 A118 F130	K57-L69 CarbonylContact C-O 3.55Å; K57-L69 VanDerWaalsContact CA-O 3.26Å; K57-L69 WeakPolarHBondContact CA-O 3.43Å; Y58-L69 PolarHBondContact N-O 3.28Å; Y58-L69 PolarHBondContact O-N 3.3Å; M60-L69 HydrophobicContact CE-CD1 3.52Å; M60-L69 HydrophobicContact CE-CG 4.03Å; I67-L69 HydrophobicContact CG2-CG 4.33Å; L69-L71 HydrophobicContact CB-CD2 4.4Å; L69-L71 HydrophobicContact CB-CG 4.26Å; L69-I110 HydrophobicContact CD2-CG1 3.87Å; L69-A118 HydrophobicContact CD2-CB 3.97Å; L69-F130 HydrophobicContact CD1-CD1 4.46Å; L69-F130 HydrophobicContact CD2-CB 3.96Å; L69-F130 HydrophobicContact CD2-CD2 4.43Å; L69-F130 HydrophobicContact CD2-CG 4.21Å
70	Q	85.9	Confident	75.5	Confident	60 Å²	60	45.3 Å²	45.3	28%	0.28	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.7	158.1	171.6	167.6	-44.5	0	0	107.7	K57 E72 G108 K109 V111	K57-Q70 HydrophobicContact CG-CB 4.43Å; Q70-E72 PolarHBondContact NE2-OE1 3.4Å; Q70-G108 CarbonylContact O-C 3.58Å; Q70-G108 WeakPolarHBondContact O-CA 3.4Å; Q70-K109 PolarHBondContact N-O 3.18Å; Q70-K109 PolarHBondContact O-N 3.43Å; Q70-K109 VanDerWaalsContact O-O 3.13Å; Q70-V111 HydrophobicContact CB-CG2 4.27Å
71	L	82.7	Confident	74.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.6	-178.1	-58.7	176.7	0	0	0	110.3	T55 I56 Y58 L69 Y106 H107 A118 I120	T55-L71 WeakPolarHBondContact CA-O 3.2Å; I56-L71 HydrophobicContact CD1-CB 4.42Å; I56-L71 HydrophobicContact CD1-CD1 4.25Å; I56-L71 HydrophobicContact CG1-CB 3.73Å; I56-L71 HydrophobicContact CG1-CD1 4.17Å; I56-L71 HydrophobicContact CG1-CG 4.48Å; I56-L71 PolarHBondContact N-O 3.31Å; I56-L71 PolarHBondContact O-N 3.33Å; Y58-L71 HydrophobicContact CD2-CD1 4.03Å; Y58-L71 HydrophobicContact CE2-CD1 4.14Å; L69-L71 HydrophobicContact CB-CD2 4.4Å; L69-L71 HydrophobicContact CB-CG 4.26Å; L71-Y106 HydrophobicContact CB-CD1 4.06Å; L71-Y106 HydrophobicContact CB-CG 4.31Å; L71-H107 CarbonylContact C-O 3.49Å; L71-H107 WeakPolarHBondContact CA-O 3.07Å; L71-A118 HydrophobicContact CD2-CB 3.82Å; L71-I120 HydrophobicContact CD1-CB 3.97Å; L71-I120 HydrophobicContact CD1-CG1 4.07Å; L71-I120 HydrophobicContact CD1-CG2 3.97Å; L71-I120 HydrophobicContact CD2-CB 4.38Å; L71-I120 HydrophobicContact CD2-CG1 3.94Å
72	E	80.4	Confident	73.5	Confident	84 Å²	84	46.2 Å²	46.2	39%	0.393	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.7	179.6	-74.9	130.9	-146.6	0	0	108.9	E54 T55 Q70 Y106 H107	E54-E72 WeakPolarHBondContact O-CA 3.35Å; T55-E72 HydrophobicContact CG2-CG 3.9Å; Q70-E72 PolarHBondContact NE2-OE1 3.4Å; E72-Y106 VanDerWaalsContact C-CD1 3.43Å; E72-Y106 CarbonylContact O-C 3.3Å; E72-Y106 VanDerWaalsContact O-CA 3.24Å; E72-Y106 WeakPolarHBondContact O-CA 3.31Å; E72-Y106 WeakPolarHBondContact O-CB 3.44Å; E72-H107 PolarHBondContact N-O 3.42Å; E72-H107 PolarHBondContact O-N 3.19Å
73	K	73.4	Confident	73.5	Confident	23 Å²	23	46.6 Å²	46.6	10%	0.1	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.8	-169.9	-161.8	161.9	126.4	-87.8	0	110.6	R52 E54 N75 H103 Y106	R52-K73 HydrophobicContact CB-CD 4.21Å; E54-K73 WeakPolarHBondContact O-CB 3.39Å; E54-K73 PolarHBondContact O-N 3.12Å; E54-K73 IonicContact OE1-NZ 2.7Å; E54-K73 PolarHBondContact OE1-NZ 2.86Å; E54-K73 IonicContact OE2-NZ 3.7Å; E54-K73 PolarHBondContact OE2-NZ 2.88Å; K73-N75 VanDerWaalsContact C-N 3.3Å; K73-N75 VanDerWaalsContact CE-OD1 3.28Å; K73-N75 WeakPolarHBondContact CE-OD1 3.3Å; K73-N75 VanDerWaalsContact CG-OD1 3.3Å; K73-N75 WeakPolarHBondContact CG-OD1 3.22Å; K73-N75 PolarHBondContact NZ-OD1 2.72Å; K73-N75 PolarHBondContact O-N 2.84Å; K73-H103 WeakPolarHBondContact CD-O 3.37Å; K73-H103 WeakPolarHBondContact CE-O 3.06Å; K73-Y106 VanDerWaalsContact CA-CD1 3.42Å; K73-Y106 HydrophobicContact CB-CD1 3.89Å; K73-Y106 HydrophobicContact CB-CE1 3.55Å; K73-Y106 HydrophobicContact CD-CE1 4.2Å; K73-Y106 HydrophobicContact CD-CE2 4.49Å; K73-Y106 HydrophobicContact CG-CD1 4.39Å; K73-Y106 HydrophobicContact CG-CE1 3.9Å; K73-Y106 HydrophobicContact CG-CE2 4.27Å
74	N	68.3	Low	74.1	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.043	22%	0.224	C	C	.	.			trans	-81.3	82.3	175	-176	2.6	0	0	0	109.3	E76 L77 Y105 N229	N74-E76 VanDerWaalsContact C-N 3.32Å; N74-L77 PolarHBondContact OD1-N 2.05Å; N74-Y105 PolarHBondContact N-O 2.03Å; N74-N229 WeakPolarHBondContact CB-OD1 3.28Å; N74-N229 PolarHBondContact ND2-OD1 2.9Å
75	N	56.8	Low	74.7	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-74.2	-23.6	-179.4	-78.7	-2.9	0	0	0	113.8	E54 K73 L77 A400 P401 V403	E54-N75 PolarHBondContact OE2-ND2 3.41Å; E54-N75 PolarHBondContact OE2-OD1 2.96Å; K73-N75 VanDerWaalsContact C-N 3.3Å; K73-N75 VanDerWaalsContact CE-OD1 3.28Å; K73-N75 WeakPolarHBondContact CE-OD1 3.3Å; K73-N75 VanDerWaalsContact CG-OD1 3.3Å; K73-N75 WeakPolarHBondContact CG-OD1 3.22Å; K73-N75 PolarHBondContact NZ-OD1 2.72Å; K73-N75 PolarHBondContact O-N 2.84Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 2.98Å; N75-A400 HydrophobicContact CB-CB 3.52Å; N75-P401 PolarHBondContact ND2-O 2.83Å; N75-V403 WeakPolarHBondContact ND2-CG2 3.32Å
76	E	56.5	Low	75.2	Confident	31 Å²	31	38.4 Å²	38.4	15%	0.145	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-78.8	-14.3	-172.7	-56.8	155.3	-129.7	0	0	111.8	N74 L78 F241	N74-E76 VanDerWaalsContact C-N 3.32Å; E76-L78 VanDerWaalsContact C-N 3.27Å; E76-L78 PolarHBondContact O-N 3.27Å; E76-F241 VanDerWaalsContact C-CZ 3.44Å; E76-F241 HydrophobicContact CB-CD2 4.08Å; E76-F241 HydrophobicContact CB-CE1 3.93Å; E76-F241 HydrophobicContact CB-CE2 3.3Å; E76-F241 HydrophobicContact CB-CZ 3.26Å; E76-F241 HydrophobicContact CG-CE2 4.26Å; E76-F241 WeakPolarHBondContact O-CE1 3.39Å; E76-F241 WeakPolarHBondContact O-CZ 3.24Å; E76-F241 WeakPolarHBondContact OE2-CD2 3.14Å; E76-F241 VanDerWaalsContact OE2-CE2 3.3Å; E76-F241 WeakPolarHBondContact OE2-CE2 3.15Å
77	L	60.9	Low	75.6	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-51.6	-33.1	-168.8	-173.7	65.8	0	0	0	115.7	N74 N75 Y105 F225 V228 N229 L244	N74-L77 PolarHBondContact OD1-N 2.05Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 2.98Å; L77-Y105 HydrophobicContact CD2-CD2 3.73Å; L77-Y105 HydrophobicContact CD2-CE2 4.42Å; L77-Y105 HydrophobicContact CD2-CG 3.95Å; L77-F225 HydrophobicContact CD2-CB 4.22Å; L77-V228 HydrophobicContact CD1-CB 3.9Å; L77-V228 HydrophobicContact CD1-CG1 3.68Å; L77-N229 HydrophobicContact CD1-CB 4.34Å; L77-L244 WeakPolarHBondContact O-CB 3.35Å; L77-L244 PolarHBondContact O-N 3.1Å
78	L	61.8	Low	75.7	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.073	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.9	-174.9	-56.7	176.9	0	0	0	110.6	E76 Y82 V101 F225 L244	E76-L78 VanDerWaalsContact C-N 3.27Å; E76-L78 PolarHBondContact O-N 3.27Å; L78-Y82 HydrophobicContact CD2-CD1 4.36Å; L78-Y82 HydrophobicContact CD2-CD2 4.11Å; L78-Y82 HydrophobicContact CD2-CE1 4.38Å; L78-Y82 HydrophobicContact CD2-CE2 4.14Å; L78-Y82 HydrophobicContact CD2-CG 4.22Å; L78-V101 HydrophobicContact CD1-CB 4.2Å; L78-V101 HydrophobicContact CD1-CG1 3.79Å; L78-V101 HydrophobicContact CD1-CG2 4.16Å; L78-F225 HydrophobicContact CD1-CE2 4.04Å; L78-F225 HydrophobicContact CD1-CZ 3.89Å; L78-F225 HydrophobicContact CD2-CD1 4.22Å; L78-F225 HydrophobicContact CD2-CE1 3.65Å; L78-F225 HydrophobicContact CD2-CZ 3.82Å; L78-L244 HydrophobicContact CD2-CB 4.16Å; L78-L244 HydrophobicContact CD2-CD2 3.94Å; L78-L244 HydrophobicContact CD2-CG 4.5Å
79	T	60.4	Low	75.7	Confident	31 Å²	31	43.6 Å²	43.6	19%	0.19	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	162.1	173	73.3	0	0	0	0	111.7	D81 Y82 L244 V245	T79-D81 PolarHBondContact O-N 3.13Å; T79-Y82 WeakPolarHBondContact O-CB 3.28Å; T79-Y82 PolarHBondContact O-N 2.84Å; T79-Y82 PolarHBondContact OG1-N 2.85Å; T79-L244 PolarHBondContact N-O 2.88Å; T79-V245 HydrophobicContact CG2-CG1 3.8Å
80	R	53.5	Low	75.8	Confident	153 Å²	153	49 Å²	49	58%	0.577	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	-22.1	177.7	170.6	174.2	163.6	-145.6	-12.5	114.6	Y82 S397 V399	R80-Y82 VanDerWaalsContact C-N 3.3Å; R80-S397 WeakPolarHBondContact CB-O 3.07Å; R80-V399 HydrophobicContact CB-CG2 3.62Å; R80-V399 HydrophobicContact CG-CG2 4.28Å
81	D	59.8	Low	75.7	Confident	87 Å²	87	47.9 Å²	47.9	47%	0.465	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	0.3	172.7	-77.2	-74.6	0	0	0	112.9	T79 S83 R97	T79-D81 PolarHBondContact O-N 3.13Å; D81-S83 PolarHBondContact O-N 3.21Å; D81-S83 VanDerWaalsContact O-N 3.16Å; D81-R97 IonicContact OD1-CZ 3.47Å; D81-R97 IonicContact OD1-NH1 3.43Å; D81-R97 PolarHBondContact OD1-NH1 2.97Å; D81-R97 IonicContact OD1-NH2 3.17Å; D81-R97 PolarHBondContact OD1-NH2 2.83Å
82	Y	77	Confident	76	Confident	8 Å²	8	51 Å²	51	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.4	121.7	172.7	176.1	-107.1	0	0	0	110.8	L78 T79 R80 E84 P98 F225 L244 V245 L247	L78-Y82 HydrophobicContact CD2-CD1 4.36Å; L78-Y82 HydrophobicContact CD2-CD2 4.11Å; L78-Y82 HydrophobicContact CD2-CE1 4.38Å; L78-Y82 HydrophobicContact CD2-CE2 4.14Å; L78-Y82 HydrophobicContact CD2-CG 4.22Å; T79-Y82 WeakPolarHBondContact O-CB 3.28Å; T79-Y82 PolarHBondContact O-N 2.84Å; T79-Y82 PolarHBondContact OG1-N 2.85Å; R80-Y82 VanDerWaalsContact C-N 3.3Å; Y82-E84 HydrophobicContact CD1-CG 4.49Å; Y82-E84 HydrophobicContact CE1-CG 3.52Å; Y82-E84 VanDerWaalsContact CE1-OE1 3.3Å; Y82-E84 WeakPolarHBondContact CE1-OE1 3.42Å; Y82-E84 VanDerWaalsContact OH-CG 3.28Å; Y82-E84 WeakPolarHBondContact OH-CG 3.35Å; Y82-E84 PolarHBondContact OH-OE1 3.09Å; Y82-P98 HydrophobicContact CE1-CG 4.24Å; Y82-F225 HydrophobicContact CE1-CE1 4.44Å; Y82-F225 HydrophobicContact CE1-CZ 4.03Å; Y82-F225 HydrophobicContact CE2-CE1 4.4Å; Y82-F225 AromaticContact CZ-CE1 3.83Å; Y82-F225 AromaticContact CZ-CZ 3.86Å; Y82-F225 VanDerWaalsContact OH-CE1 3.3Å; Y82-F225 WeakPolarHBondContact OH-CE1 3.47Å; Y82-F225 WeakPolarHBondContact OH-CZ 3.26Å; Y82-L244 HydrophobicContact CD2-CD2 4.31Å; Y82-L244 HydrophobicContact CD2-CG 4.09Å; Y82-L244 WeakPolarHBondContact CD2-O 3.28Å; Y82-L244 HydrophobicContact CE2-CD2 3.62Å; Y82-L244 HydrophobicContact CE2-CG 3.8Å; Y82-V245 WeakPolarHBondContact CA-O 3.4Å; Y82-L247 HydrophobicContact CE2-CB 3.97Å; Y82-L247 WeakPolarHBondContact OH-CB 3.3Å
83	S	84.1	Confident	76.5	Confident	8 Å²	8	52.7 Å²	52.7	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	-176	52.3	0	0	0	0	111.1	D81 T96 V245 G246 L247	D81-S83 PolarHBondContact O-N 3.21Å; D81-S83 VanDerWaalsContact O-N 3.16Å; S83-T96 CarbonylContact C-O 3.53Å; S83-T96 VanDerWaalsContact CA-O 3.26Å; S83-T96 WeakPolarHBondContact CA-O 3.32Å; S83-V245 PolarHBondContact N-O 2.85Å; S83-G246 WeakPolarHBondContact O-CA 3.26Å; S83-L247 PolarHBondContact O-N 3.38Å
84	E	88.8	Confident	77.3	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.065	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.3	178.5	-64.5	-167.4	167.7	0	0	109.1	Y82 T95 T96 P98 R221 L247	Y82-E84 HydrophobicContact CD1-CG 4.49Å; Y82-E84 HydrophobicContact CE1-CG 3.52Å; Y82-E84 VanDerWaalsContact CE1-OE1 3.3Å; Y82-E84 WeakPolarHBondContact CE1-OE1 3.42Å; Y82-E84 VanDerWaalsContact OH-CG 3.28Å; Y82-E84 WeakPolarHBondContact OH-CG 3.35Å; Y82-E84 PolarHBondContact OH-OE1 3.09Å; E84-T95 CarbonylContact O-C 3.58Å; E84-T95 WeakPolarHBondContact O-CA 3.37Å; E84-T96 PolarHBondContact N-O 3.43Å; E84-T96 PolarHBondContact O-N 3.25Å; E84-P98 HydrophobicContact CB-CG 4.45Å; E84-P98 HydrophobicContact CG-CG 3.83Å; E84-R221 VanDerWaalsContact CD-NE 3.26Å; E84-R221 VanDerWaalsContact OE1-CD 3.27Å; E84-R221 WeakPolarHBondContact OE1-CD 3.5Å; E84-R221 WeakPolarHBondContact OE1-CG 2.99Å; E84-R221 IonicContact OE1-CZ 3.44Å; E84-R221 IonicContact OE1-NE 2.89Å; E84-R221 PolarHBondContact OE1-NE 3.4Å; E84-R221 IonicContact OE2-CZ 3.75Å; E84-R221 VanDerWaalsContact OE2-CZ 3.24Å; E84-R221 IonicContact OE2-NE 3.56Å; E84-R221 PolarHBondContact OE2-NE 3.46Å; E84-R221 IonicContact OE2-NH2 3.25Å; E84-R221 PolarHBondContact OE2-NH2 3.22Å; E84-L247 CarbonylContact C-O 3.54Å; E84-L247 WeakPolarHBondContact CA-O 3.34Å; E84-L247 HydrophobicContact CG-CB 4.49Å
85	T	90.9	Very high	78.3	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.7	179.7	-64.1	0	0	0	0	110.3	Y87 R93 V94 T95 L247 E248 V249	T85-Y87 HydrophobicContact CG2-CE2 4.08Å; T85-R93 HydrophobicContact CG2-CG 3.39Å; T85-V94 CarbonylContact C-O 3.55Å; T85-V94 WeakPolarHBondContact CA-O 3.48Å; T85-T95 WeakPolarHBondContact OG1-CG2 3.45Å; T85-T95 PolarHBondContact OG1-OG1 2.82Å; T85-L247 PolarHBondContact N-O 3.32Å; T85-E248 VanDerWaalsContact CB-OE2 3.32Å; T85-E248 WeakPolarHBondContact CB-OE2 3.43Å; T85-E248 HydrophobicContact CG2-CG 3.9Å; T85-E248 VanDerWaalsContact CG2-OE2 3.3Å; T85-E248 WeakPolarHBondContact CG2-OE2 3.29Å; T85-E248 WeakPolarHBondContact O-CA 3.04Å; T85-V249 PolarHBondContact O-N 2.93Å
86	Y	93	Very high	79.5	Confident	69 Å²	69	58.7 Å²	58.7	27%	0.271	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	172.7	175.1	69.7	-90.9	0	0	0	111.1	V94 T96 Q217	Y86-V94 HydrophobicContact CD1-CB 4.31Å; Y86-V94 HydrophobicContact CD2-CB 4.36Å; Y86-V94 HydrophobicContact CE1-CB 3.92Å; Y86-V94 HydrophobicContact CE1-CG1 3.78Å; Y86-V94 HydrophobicContact CE2-CB 3.96Å; Y86-V94 HydrophobicContact CE2-CG1 4.42Å; Y86-V94 HydrophobicContact CE2-CG2 4.16Å; Y86-V94 PolarHBondContact N-O 3.3Å; Y86-V94 PolarHBondContact O-N 3.09Å; Y86-T96 HydrophobicContact CE1-CG2 4.09Å; Y86-Q217 VanDerWaalsContact CD2-NE2 3.3Å
87	Y	92.7	Very high	80.4	Confident	28 Å²	28	63 Å²	63	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	-172.3	-66.8	-101.1	0	0	0	110.8	T85 R93 E248 V249 S251 L255	T85-Y87 HydrophobicContact CG2-CE2 4.08Å; Y87-R93 HydrophobicContact CD1-CB 4.13Å; Y87-R93 HydrophobicContact CE1-CB 3.69Å; Y87-R93 HydrophobicContact CE1-CG 3.87Å; Y87-R93 HydrophobicContact CE2-CG 4.27Å; Y87-R93 VanDerWaalsContact OH-CD 3.32Å; Y87-R93 WeakPolarHBondContact OH-CD 3.34Å; Y87-E248 HydrophobicContact CE2-CG 4.32Å; Y87-E248 PolarHBondContact OH-OE1 2.86Å; Y87-V249 WeakPolarHBondContact CD2-O 3.2Å; Y87-S251 PolarHBondContact N-OG 2.81Å; Y87-S251 PolarHBondContact O-OG 2.9Å; Y87-L255 HydrophobicContact CE1-CD1 4.28Å; Y87-L255 HydrophobicContact CE1-CD2 4.33Å; Y87-L255 HydrophobicContact CE2-CD1 4.21Å; Y87-L255 WeakPolarHBondContact OH-CD1 3.48Å
88	Q	90.1	Very high	80.7	Confident	94 Å²	94	64.9 Å²	64.9	44%	0.439	32%	0.322	S	S	.	.			trans	-74.6	171.2	173	-71.9	-176.3	75	0	0	111.6	D90 G91 T92 V94 N252	Q88-D90 WeakPolarHBondContact CB-OD1 3.37Å; Q88-D90 PolarHBondContact O-N 3.05Å; Q88-G91 PolarHBondContact O-N 2.92Å; Q88-T92 PolarHBondContact N-O 2.84Å; Q88-V94 HydrophobicContact CG-CG2 3.94Å; Q88-N252 PolarHBondContact O-ND2 2.02Å
89	E	86.9	Confident	80.2	Confident	196 Å²	196	72 Å²	72	92%	0.916	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.8	-176.3	-63.5	-169.7	155.9	0	0	114.2	G91 N252	E89-G91 VanDerWaalsContact C-N 3.3Å; E89-N252 WeakPolarHBondContact CA-ND2 3.04Å; E89-N252 PolarHBondContact O-ND2 3.14Å
90	D	87.9	Confident	79.9	Confident	113 Å²	113	78.3 Å²	78.3	60%	0.604	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.1	173.3	68.7	-23.4	0	0	0	113.9	Q88 T92	Q88-D90 WeakPolarHBondContact CB-OD1 3.37Å; Q88-D90 PolarHBondContact O-N 3.05Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 WeakPolarHBondContact OD1-CB 3.4Å; D90-T92 PolarHBondContact OD1-N 2.65Å; D90-T92 PolarHBondContact OD1-OG1 3.5Å; D90-T92 WeakPolarHBondContact OD2-CB 3.34Å; D90-T92 PolarHBondContact OD2-OG1 3.08Å
91	G	84.7	Confident	80.3	Confident	37 Å²	37	72.4 Å²	72.4	38%	0.381	37%	0.368	S	S	.	.			trans	84.9	2.6	-172.6	0	0	0	0	0	114.5	Q88 E89 R93	Q88-G91 PolarHBondContact O-N 2.92Å; E89-G91 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 2.69Å
92	T	88.4	Confident	80.5	Confident	65 Å²	65	71.9 Å²	71.9	40%	0.399	37%	0.365	S	S	.	.			trans	-65.9	118.8	178	-72.2	0	0	0	0	110.5	Q88 D90	Q88-T92 PolarHBondContact N-O 2.84Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 WeakPolarHBondContact OD1-CB 3.4Å; D90-T92 PolarHBondContact OD1-N 2.65Å; D90-T92 PolarHBondContact OD1-OG1 3.5Å; D90-T92 WeakPolarHBondContact OD2-CB 3.34Å; D90-T92 PolarHBondContact OD2-OG1 3.08Å
93	R	91.2	Very high	80.2	Confident	120 Å²	120	73.3 Å²	73.3	45%	0.453	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.8	175.7	-171.8	-179.3	72.7	-144.8	-4.4	110.7	T85 Y87 G91	T85-R93 HydrophobicContact CG2-CG 3.39Å; Y87-R93 HydrophobicContact CD1-CB 4.13Å; Y87-R93 HydrophobicContact CE1-CB 3.69Å; Y87-R93 HydrophobicContact CE1-CG 3.87Å; Y87-R93 HydrophobicContact CE2-CG 4.27Å; Y87-R93 VanDerWaalsContact OH-CD 3.32Å; Y87-R93 WeakPolarHBondContact OH-CD 3.34Å; G91-R93 PolarHBondContact O-N 2.69Å
94	V	90.6	Very high	79.8	Confident	33 Å²	33	73.1 Å²	73.1	20%	0.2	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.8	171.9	-175.9	0	0	0	0	108.4	T85 Y86 Q88 T96	T85-V94 CarbonylContact C-O 3.55Å; T85-V94 WeakPolarHBondContact CA-O 3.48Å; Y86-V94 HydrophobicContact CD1-CB 4.31Å; Y86-V94 HydrophobicContact CD2-CB 4.36Å; Y86-V94 HydrophobicContact CE1-CB 3.92Å; Y86-V94 HydrophobicContact CE1-CG1 3.78Å; Y86-V94 HydrophobicContact CE2-CB 3.96Å; Y86-V94 HydrophobicContact CE2-CG1 4.42Å; Y86-V94 HydrophobicContact CE2-CG2 4.16Å; Y86-V94 PolarHBondContact N-O 3.3Å; Y86-V94 PolarHBondContact O-N 3.09Å; Q88-V94 HydrophobicContact CG-CG2 3.94Å; V94-T96 HydrophobicContact CG1-CG2 4.07Å
95	T	87.8	Confident	79.3	Confident	74 Å²	74	73 Å²	73	45%	0.454	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.8	172.7	-58.7	0	0	0	0	108.6	E84 T85	E84-T95 CarbonylContact O-C 3.58Å; E84-T95 WeakPolarHBondContact O-CA 3.37Å; T85-T95 WeakPolarHBondContact OG1-CG2 3.45Å; T85-T95 PolarHBondContact OG1-OG1 2.82Å
96	T	82.7	Confident	78.6	Confident	53 Å²	53	73 Å²	73	33%	0.325	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	163.2	176.8	71.4	0	0	0	0	110.7	S83 E84 Y86 V94	S83-T96 CarbonylContact C-O 3.53Å; S83-T96 VanDerWaalsContact CA-O 3.26Å; S83-T96 WeakPolarHBondContact CA-O 3.32Å; E84-T96 PolarHBondContact N-O 3.43Å; E84-T96 PolarHBondContact O-N 3.25Å; Y86-T96 HydrophobicContact CE1-CG2 4.09Å; V94-T96 HydrophobicContact CG1-CG2 4.07Å
97	R	75.2	Confident	78.1	Confident	123 Å²	123	71 Å²	71	46%	0.464	36%	0.362	S	S	.	.			trans	-124.7	98.4	171.6	-73.7	178.7	168.3	-137.2	-4.3	107.5	D81 H99	D81-R97 IonicContact OD1-CZ 3.47Å; D81-R97 IonicContact OD1-NH1 3.43Å; D81-R97 PolarHBondContact OD1-NH1 2.97Å; D81-R97 IonicContact OD1-NH2 3.17Å; D81-R97 PolarHBondContact OD1-NH2 2.83Å; R97-H99 PolarHBondContact O-N 2.87Å; R97-H99 VanDerWaalsContact O-N 3.1Å
98	P	66.4	Low	77.5	Confident	41 Å²	41	70.2 Å²	70.2	27%	0.266	36%	0.363	S	S	.	.			trans	-64.8	110.1	-175.7	-23.8	35.4	0	0	0	111.4	Y82 E84 V101	Y82-P98 HydrophobicContact CE1-CG 4.24Å; E84-P98 HydrophobicContact CB-CG 4.45Å; E84-P98 HydrophobicContact CG-CG 3.83Å; P98-V101 HydrophobicContact CB-CG2 3.63Å
99	H	52	Low	77.2	Confident	163 Å²	163	71.9 Å²	71.9	76%	0.755	37%	0.368	S	S	*	.	S	Bend	trans	-79.2	-30.1	-179.4	-67.9	-46.5	0	0	0	113.3	R97	R97-H99 PolarHBondContact O-N 2.87Å; R97-H99 VanDerWaalsContact O-N 3.1Å
100	D	55.4	Low	77	Confident	163 Å²	163	63.2 Å²	63.2	87%	0.872	33%	0.328	S	S	*	.			trans	-113.8	59	-175.9	-60.5	-62.3	0	0	0	111.7
101	V	61.6	Low	76.6	Confident	30 Å²	30	60.8 Å²	60.8	18%	0.182	32%	0.317	C	S	.	.			trans	-76.7	123.7	170.8	-174.4	0	0	0	0	109.6	L78 P98 H103 F225	L78-V101 HydrophobicContact CD1-CB 4.2Å; L78-V101 HydrophobicContact CD1-CG1 3.79Å; L78-V101 HydrophobicContact CD1-CG2 4.16Å; P98-V101 HydrophobicContact CB-CG2 3.63Å; V101-H103 PolarHBondContact O-N 2.04Å; V101-H103 VanDerWaalsContact O-N 3.08Å; V101-H103 PolarHBondContact O-ND1 3.09Å; V101-F225 HydrophobicContact CG1-CE2 3.89Å
102	D	63.3	Low	76.2	Confident	75 Å²	75	67.1 Å²	67.1	40%	0.401	34%	0.342	S	S	.	.			trans	-66.6	106.2	170.4	-172.2	3.9	0	0	0	109.6	R52 C104	R52-D102 WeakPolarHBondContact CG-OD1 3.29Å; R52-D102 IonicContact CZ-OD1 3.3Å; R52-D102 IonicContact CZ-OD2 3.18Å; R52-D102 VanDerWaalsContact CZ-OD2 3.29Å; R52-D102 IonicContact NE-OD1 2.67Å; R52-D102 PolarHBondContact NE-OD1 2.79Å; R52-D102 IonicContact NE-OD2 2.69Å; R52-D102 PolarHBondContact NE-OD2 2.83Å; R52-D102 VanDerWaalsContact NE-OD2 3.12Å; R52-D102 IonicContact NH2-OD1 2.65Å; R52-D102 IonicContact NH2-OD2 2.73Å; R52-D102 PolarHBondContact NH2-OD2 2.77Å; D102-C104 VanDerWaalsContact C-N 3.25Å; D102-C104 PolarHBondContact O-N 2.86Å; D102-C104 PolarHBondContact O-SG 2.99Å
103	H	70.1	Confident	75.4	Confident	38 Å²	38	65.2 Å²	65.2	18%	0.176	33%	0.33	C	S	.	.			trans	-81.1	77.1	179.6	-74.9	68.1	0	0	0	109.6	K73 V101	K73-H103 WeakPolarHBondContact CD-O 3.37Å; K73-H103 WeakPolarHBondContact CE-O 3.06Å; V101-H103 PolarHBondContact O-N 2.04Å; V101-H103 VanDerWaalsContact O-N 3.08Å; V101-H103 PolarHBondContact O-ND1 3.09Å
104	C	76.1	Confident	74.2	Confident	4 Å²	4	65 Å²	65	3%	0.027	35%	0.346	C	S	.	.			trans	-105.1	13	-172.4	45.3	0	0	0	0	114.3	D102 Y106 T122 C123	D102-C104 VanDerWaalsContact C-N 3.25Å; D102-C104 PolarHBondContact O-N 2.86Å; D102-C104 PolarHBondContact O-SG 2.99Å; C104-Y106 WeakPolarHBondContact O-CD2 3.47Å; C104-T122 PolarHBondContact O-N 3.26Å; C104-T122 PolarHBondContact O-OG1 2.99Å; C104-C123 HydrophobicContact CB-CB 3.93Å; C104-C123 WeakPolarHBondContact CB-SG 3.31Å; C104-C123 WeakPolarHBondContact SG-CA 3.41Å; C104-C123 WeakPolarHBondContact SG-CB 3.08Å; C104-C123 CovalentContact SG-SG 2.03Å; C104-C123 PolarHBondContact SG-SG 2.92Å
105	Y	78	Confident	73	Confident	12 Å²	12	70.3 Å²	70.3	5%	0.047	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.5	-179.9	-55.6	-85.3	0	0	0	111.6	N74 L77 C123 F225 E226 N229	N74-Y105 PolarHBondContact N-O 2.03Å; L77-Y105 HydrophobicContact CD2-CD2 3.73Å; L77-Y105 HydrophobicContact CD2-CE2 4.42Å; L77-Y105 HydrophobicContact CD2-CG 3.95Å; Y105-C123 VanDerWaalsContact CZ-SG 3.59Å; Y105-F225 HydrophobicContact CD2-CB 4.45Å; Y105-F225 HydrophobicContact CE1-CB 3.86Å; Y105-F225 HydrophobicContact CE2-CB 3.81Å; Y105-F225 AromaticContact CE2-CD2 3.72Å; Y105-F225 HydrophobicContact CE2-CD2 3.72Å; Y105-F225 HydrophobicContact CE2-CG 4.25Å; Y105-F225 VanDerWaalsContact CZ-CB 3.47Å; Y105-F225 AromaticContact CZ-CD2 3.96Å; Y105-E226 HydrophobicContact CE1-CG 3.88Å; Y105-N229 HydrophobicContact CD1-CB 4.48Å
106	Y	77.6	Confident	72.2	Confident	1 Å²	1	67.1 Å²	67.1	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.8	-173.7	-66.4	-105.5	0	0	0	111.3	P53 I56 L71 E72 K73 C104 S119 I120 T122 N229	P53-Y106 WeakPolarHBondContact O-CE1 3.41Å; P53-Y106 PolarHBondContact O-OH 3.17Å; I56-Y106 HydrophobicContact CD1-CD1 3.79Å; I56-Y106 HydrophobicContact CD1-CD2 4.02Å; I56-Y106 HydrophobicContact CD1-CE1 3.57Å; I56-Y106 HydrophobicContact CD1-CE2 3.8Å; I56-Y106 HydrophobicContact CD1-CG 4.05Å; I56-Y106 HydrophobicContact CG1-CD1 3.95Å; I56-Y106 HydrophobicContact CG1-CE1 3.81Å; I56-Y106 HydrophobicContact CG2-CE1 4.35Å; L71-Y106 HydrophobicContact CB-CD1 4.06Å; L71-Y106 HydrophobicContact CB-CG 4.31Å; E72-Y106 VanDerWaalsContact C-CD1 3.43Å; E72-Y106 CarbonylContact O-C 3.3Å; E72-Y106 VanDerWaalsContact O-CA 3.24Å; E72-Y106 WeakPolarHBondContact O-CA 3.31Å; E72-Y106 WeakPolarHBondContact O-CB 3.44Å; K73-Y106 VanDerWaalsContact CA-CD1 3.42Å; K73-Y106 HydrophobicContact CB-CD1 3.89Å; K73-Y106 HydrophobicContact CB-CE1 3.55Å; K73-Y106 HydrophobicContact CD-CE1 4.2Å; K73-Y106 HydrophobicContact CD-CE2 4.49Å; K73-Y106 HydrophobicContact CG-CD1 4.39Å; K73-Y106 HydrophobicContact CG-CE1 3.9Å; K73-Y106 HydrophobicContact CG-CE2 4.27Å; C104-Y106 WeakPolarHBondContact O-CD2 3.47Å; Y106-S119 CarbonylContact O-C 3.54Å; Y106-S119 WeakPolarHBondContact O-CA 3.19Å; Y106-I120 PolarHBondContact N-O 2.73Å; Y106-I120 PolarHBondContact O-N 3.02Å; Y106-T122 HydrophobicContact CD2-CG2 3.65Å; Y106-T122 HydrophobicContact CE2-CG2 3.77Å; Y106-T122 WeakPolarHBondContact CE2-OG1 3.26Å; Y106-N229 PolarHBondContact O-ND2 3.24Å
107	H	81	Confident	71.8	Confident	29 Å²	29	65.5 Å²	65.5	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	174.8	160.1	-66	166.9	0	0	0	109.4	L71 E72 A118 N229	L71-H107 CarbonylContact C-O 3.49Å; L71-H107 WeakPolarHBondContact CA-O 3.07Å; E72-H107 PolarHBondContact N-O 3.42Å; E72-H107 PolarHBondContact O-N 3.19Å; H107-A118 CarbonylContact C-O 3.6Å; H107-A118 WeakPolarHBondContact CA-O 3.45Å; H107-N229 PolarHBondContact CD2-OD1 2.91Å; H107-N229 PolarHBondContact NE2-O 2.96Å; H107-N229 PolarHBondContact NE2-OD1 2.68Å
108	G	81.4	Confident	72	Confident	11 Å²	11	59.7 Å²	59.7	11%	0.113	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-166	170.4	0	0	0	0	0	115.9	Q70 S117 A118	Q70-G108 CarbonylContact O-C 3.58Å; Q70-G108 WeakPolarHBondContact O-CA 3.4Å; G108-S117 CarbonylContact O-C 3.4Å; G108-S117 WeakPolarHBondContact O-CA 3.5Å; G108-A118 PolarHBondContact N-O 2.96Å; G108-A118 PolarHBondContact O-N 2.94Å
109	K	82.2	Confident	72.6	Confident	128 Å²	128	58 Å²	58	56%	0.557	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	159.4	-176.5	-65.4	176	-172.9	163.2	0	110.4	Q70	Q70-K109 PolarHBondContact N-O 3.18Å; Q70-K109 PolarHBondContact O-N 3.43Å; Q70-K109 VanDerWaalsContact O-O 3.13Å
110	I	83.8	Confident	74	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.1	166.2	-59.9	172.8	0	0	0	107.9	I67 H68 L69 N112 D113 S116 F130 R131 T132	I67-I110 HydrophobicContact CG2-CD1 3.9Å; I67-I110 HydrophobicContact CG2-CG1 3.95Å; I67-I110 HydrophobicContact CG2-CG2 4.04Å; H68-I110 CarbonylContact O-C 3.59Å; H68-I110 WeakPolarHBondContact O-CA 3.5Å; L69-I110 HydrophobicContact CD2-CG1 3.87Å; I110-N112 PolarHBondContact O-N 3.01Å; I110-D113 HydrophobicContact CB-CB 4.38Å; I110-D113 PolarHBondContact O-N 2.94Å; I110-D113 VanDerWaalsContact O-N 3.1Å; I110-S116 PolarHBondContact N-OG 3.48Å; I110-S116 PolarHBondContact O-OG 3.39Å; I110-F130 HydrophobicContact CD1-CD2 4.17Å; I110-R131 WeakPolarHBondContact CD1-O 3.49Å; I110-T132 HydrophobicContact CD1-CG2 3.47Å; I110-T132 VanDerWaalsContact CD1-CG2 3.47Å
111	V	80	Confident	75.2	Confident	63 Å²	63	42.7 Å²	42.7	38%	0.382	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	133.8	179.1	-178.8	0	0	0	0	109.9	H68 Q70 D113	H68-V111 HydrophobicContact CB-CB 4.01Å; H68-V111 HydrophobicContact CB-CG2 3.89Å; H68-V111 PolarHBondContact O-N 2.8Å; Q70-V111 HydrophobicContact CB-CG2 4.27Å; V111-D113 VanDerWaalsContact C-N 3.3Å; V111-D113 PolarHBondContact O-N 3.16Å
112	N	75.2	Confident	76.4	Confident	169 Å²	169	41.5 Å²	41.5	90%	0.904	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	6.7	-175.4	-53.8	-28.3	0	0	0	116.9	I110	I110-N112 PolarHBondContact O-N 3.01Å
113	D	72.8	Confident	76.9	Confident	25 Å²	25	39.2 Å²	39.2	13%	0.134	21%	0.212	C	C	.	.			trans	-116.5	101.5	169.7	-171.8	-31.6	0	0	0	110.8	I110 V111 K115 S116 T132 S133	I110-D113 HydrophobicContact CB-CB 4.38Å; I110-D113 PolarHBondContact O-N 2.94Å; I110-D113 VanDerWaalsContact O-N 3.1Å; V111-D113 VanDerWaalsContact C-N 3.3Å; V111-D113 PolarHBondContact O-N 3.16Å; D113-K115 PolarHBondContact O-N 3.18Å; D113-K115 WeakPolarHBondContact OD1-CA 3.3Å; D113-K115 PolarHBondContact OD1-N 3.18Å; D113-S116 WeakPolarHBondContact O-CB 3.21Å; D113-S116 PolarHBondContact O-N 2.98Å; D113-S116 PolarHBondContact O-OG 2.79Å; D113-S116 PolarHBondContact OD1-N 2.96Å; D113-T132 WeakPolarHBondContact OD2-CA 3.08Å; D113-S133 WeakPolarHBondContact OD2-CB 3.46Å; D113-S133 PolarHBondContact OD2-N 3.43Å; D113-S133 PolarHBondContact OD2-OG 2.87Å
114	S	66.1	Low	77.2	Confident	115 Å²	115	43.9 Å²	43.9	80%	0.804	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.8	-178.1	59.2	0	0	0	0	114.9
115	K	64.1	Low	77.4	Confident	146 Å²	146	43.9 Å²	43.9	64%	0.635	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-9.9	175.7	-63.9	-175.9	178.6	-177.2	0	112.9	D113 R131	D113-K115 PolarHBondContact O-N 3.18Å; D113-K115 WeakPolarHBondContact OD1-CA 3.3Å; D113-K115 PolarHBondContact OD1-N 3.18Å; K115-R131 PolarHBondContact O-NE 3.43Å; K115-R131 PolarHBondContact O-NH2 3.43Å
116	S	71.7	Confident	77.7	Confident	7 Å²	7	43.3 Å²	43.3	5%	0.049	23%	0.232	C	C	.	.			trans	-58.6	156	173.6	68.8	0	0	0	0	112.3	I110 D113 R131	I110-S116 PolarHBondContact N-OG 3.48Å; I110-S116 PolarHBondContact O-OG 3.39Å; D113-S116 WeakPolarHBondContact O-CB 3.21Å; D113-S116 PolarHBondContact O-N 2.98Å; D113-S116 PolarHBondContact O-OG 2.79Å; D113-S116 PolarHBondContact OD1-N 2.96Å; S116-R131 VanDerWaalsContact CA-O 3.3Å; S116-R131 WeakPolarHBondContact CA-O 3.3Å; S116-R131 WeakPolarHBondContact CB-O 3.36Å
117	S	74.4	Confident	77.7	Confident	18 Å²	18	47.3 Å²	47.3	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.9	166.2	55	0	0	0	0	110.1	G108 F130 R131	G108-S117 CarbonylContact O-C 3.4Å; G108-S117 WeakPolarHBondContact O-CA 3.5Å; S117-F130 CarbonylContact O-C 3.58Å; S117-F130 WeakPolarHBondContact O-CA 3Å; S117-R131 PolarHBondContact O-N 2.03Å; S117-R131 PolarHBondContact OG-NE 2.04Å; S117-R131 VanDerWaalsContact OG-NE 3.08Å
118	A	78.9	Confident	77.3	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.6	178.1	0	0	0	0	0	111.4	L69 L71 H107 G108 I120 Y129 F130	L69-A118 HydrophobicContact CD2-CB 3.97Å; L71-A118 HydrophobicContact CD2-CB 3.82Å; H107-A118 CarbonylContact C-O 3.6Å; H107-A118 WeakPolarHBondContact CA-O 3.45Å; G108-A118 PolarHBondContact N-O 2.96Å; G108-A118 PolarHBondContact O-N 2.94Å; A118-I120 HydrophobicContact CB-CG1 4.27Å; A118-Y129 CarbonylContact C-O 3.58Å; A118-Y129 WeakPolarHBondContact CA-O 3.19Å; A118-F130 HydrophobicContact CB-CB 3.84Å
119	S	78.3	Confident	77	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	107.5	172.6	-179.8	0	0	0	0	106.8	Y106 Y129 N229	Y106-S119 CarbonylContact O-C 3.54Å; Y106-S119 WeakPolarHBondContact O-CA 3.19Å; S119-Y129 PolarHBondContact N-O 2.92Å; S119-Y129 PolarHBondContact O-N 2.83Å; S119-N229 PolarHBondContact OG-ND2 3.4Å
120	I	82.8	Confident	76.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123	-162.5	-60.5	-67.4	0	0	0	109.8	L71 Y106 A118 T122 L126 R127 Y129 I139	L71-I120 HydrophobicContact CD1-CB 3.97Å; L71-I120 HydrophobicContact CD1-CG1 4.07Å; L71-I120 HydrophobicContact CD1-CG2 3.97Å; L71-I120 HydrophobicContact CD2-CB 4.38Å; L71-I120 HydrophobicContact CD2-CG1 3.94Å; Y106-I120 PolarHBondContact N-O 2.73Å; Y106-I120 PolarHBondContact O-N 3.02Å; A118-I120 HydrophobicContact CB-CG1 4.27Å; I120-T122 HydrophobicContact CG2-CG2 4.24Å; I120-L126 HydrophobicContact CG2-CB 4.39Å; I120-L126 HydrophobicContact CG2-CD2 4.24Å; I120-R127 CarbonylContact C-O 3.57Å; I120-Y129 WeakPolarHBondContact CD1-O 3.48Å; I120-I139 HydrophobicContact CD1-CG2 3.77Å
121	S	80.9	Confident	75.9	Confident	4 Å²	4	42 Å²	42	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140.3	158	174	0	0	0	0	109.1	C123 G125 L126 R127	S121-C123 PolarHBondContact OG-N 2.92Å; S121-C123 PolarHBondContact OG-SG 3.09Å; S121-G125 VanDerWaalsContact O-O 3.08Å; S121-L126 WeakPolarHBondContact O-CA 3.34Å; S121-R127 PolarHBondContact N-O 3.5Å; S121-R127 PolarHBondContact O-N 2.95Å
122	T	84.9	Confident	75.5	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.025	21%	0.209	C	C	.	.			trans	-115.1	5.9	173.4	64.6	0	0	0	0	112.1	R52 I56 C104 Y106 I120 E124 G125 L126	R52-T122 PolarHBondContact NH1-O 3.07Å; R52-T122 PolarHBondContact NH1-OG1 3.26Å; R52-T122 VanDerWaalsContact NH1-OG1 3.12Å; I56-T122 HydrophobicContact CD1-CG2 3.68Å; C104-T122 PolarHBondContact O-N 3.26Å; C104-T122 PolarHBondContact O-OG1 2.99Å; Y106-T122 HydrophobicContact CD2-CG2 3.65Å; Y106-T122 HydrophobicContact CE2-CG2 3.77Å; Y106-T122 WeakPolarHBondContact CE2-OG1 3.26Å; I120-T122 HydrophobicContact CG2-CG2 4.24Å; T122-E124 PolarHBondContact O-N 3.05Å; T122-G125 CarbonylContact C-O 3.49Å; T122-G125 VanDerWaalsContact C-O 3.31Å; T122-G125 VanDerWaalsContact CA-O 3.25Å; T122-G125 WeakPolarHBondContact CA-O 3.4Å; T122-G125 PolarHBondContact O-N 2.67Å; T122-L126 HydrophobicContact CG2-CD2 3.85Å
123	C	74.7	Confident	74.9	Confident	27 Å²	27	35.6 Å²	35.6	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-51	-164.5	-54.9	0	0	0	0	111.7	R52 C104 Y105 S121	R52-C123 PolarHBondContact NH2-O 3.26Å; R52-C123 VanDerWaalsContact NH2-O 3.08Å; C104-C123 HydrophobicContact CB-CB 3.93Å; C104-C123 WeakPolarHBondContact CB-SG 3.31Å; C104-C123 WeakPolarHBondContact SG-CA 3.41Å; C104-C123 WeakPolarHBondContact SG-CB 3.08Å; C104-C123 CovalentContact SG-SG 2.03Å; C104-C123 PolarHBondContact SG-SG 2.92Å; Y105-C123 VanDerWaalsContact CZ-SG 3.59Å; S121-C123 PolarHBondContact OG-N 2.92Å; S121-C123 PolarHBondContact OG-SG 3.09Å
124	E	77.1	Confident	74.4	Confident	137 Å²	137	40.9 Å²	40.9	64%	0.64	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	36.5	178.5	-58	-168.8	138.5	0	0	111.6	T122 P141	T122-E124 PolarHBondContact O-N 3.05Å; E124-P141 WeakPolarHBondContact O-CG 3.29Å
125	G	80.3	Confident	74.4	Confident	3 Å²	3	38 Å²	38	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	102.7	179.6	-166.5	0	0	0	0	0	112.3	S121 T122 R127	S121-G125 VanDerWaalsContact O-O 3.08Å; T122-G125 CarbonylContact C-O 3.49Å; T122-G125 VanDerWaalsContact C-O 3.31Å; T122-G125 VanDerWaalsContact CA-O 3.25Å; T122-G125 WeakPolarHBondContact CA-O 3.4Å; T122-G125 PolarHBondContact O-N 2.67Å; G125-R127 PolarHBondContact O-N 3.29Å
126	L	82.9	Confident	74.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-78.1	102	-176.5	-52.8	-167.2	0	0	0	110.5	P37 Y58 I120 S121 T122 I139 D146 H150	P37-L126 HydrophobicContact CB-CD1 3.7Å; P37-L126 HydrophobicContact CG-CD1 3.67Å; P37-L126 HydrophobicContact CG-CG 4.4Å; Y58-L126 HydrophobicContact CD1-CD1 4.2Å; Y58-L126 HydrophobicContact CD2-CD1 3.86Å; Y58-L126 HydrophobicContact CD2-CD2 4.32Å; Y58-L126 HydrophobicContact CE1-CD1 4.39Å; Y58-L126 HydrophobicContact CE1-CD2 4.44Å; Y58-L126 HydrophobicContact CE2-CD1 4.05Å; Y58-L126 HydrophobicContact CE2-CD2 3.68Å; Y58-L126 HydrophobicContact CG-CD1 3.95Å; I120-L126 HydrophobicContact CG2-CB 4.39Å; I120-L126 HydrophobicContact CG2-CD2 4.24Å; S121-L126 WeakPolarHBondContact O-CA 3.34Å; T122-L126 HydrophobicContact CG2-CD2 3.85Å; L126-I139 HydrophobicContact CB-CD1 4.01Å; L126-I139 HydrophobicContact CB-CG1 4.48Å; L126-I139 HydrophobicContact CB-CG2 4.47Å; L126-I139 HydrophobicContact CD1-CD1 4.38Å; L126-D146 HydrophobicContact CD2-CB 4.11Å; L126-H150 WeakPolarHBondContact CB-NE2 3.4Å; L126-H150 PolarHBondContact N-NE2 2.96Å; L126-H150 PolarHBondContact O-CD2 2.8Å; L126-H150 VanDerWaalsContact O-CD2 3.26Å
127	R	78.9	Confident	74.8	Confident	86 Å²	86	34.1 Å²	34.1	33%	0.325	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135	173.4	174.6	171.8	-74.6	-167.5	-0.2	110.3	I120 S121 G125 I139 E226	I120-R127 CarbonylContact C-O 3.57Å; S121-R127 PolarHBondContact N-O 3.5Å; S121-R127 PolarHBondContact O-N 2.95Å; G125-R127 PolarHBondContact O-N 3.29Å; R127-I139 CarbonylContact C-O 3.56Å; R127-I139 WeakPolarHBondContact CA-O 3.48Å; R127-E226 WeakPolarHBondContact CD-OE1 3.13Å
128	G	71.4	Confident	74.8	Confident	11 Å²	11	33.7 Å²	33.7	11%	0.113	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132	-136.4	170.1	0	0	0	0	0	112.9	L138 I139	G128-L138 WeakPolarHBondContact O-CA 3.02Å; G128-L138 WeakPolarHBondContact O-CD1 3.38Å; G128-I139 PolarHBondContact N-O 3.03Å; G128-I139 PolarHBondContact O-N 2.83Å
129	Y	75.4	Confident	74.8	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.8	-155	-172.8	-91.9	0	0	0	114.6	A118 S119 I120 R131 R136 Y137 V155 I324 R367	A118-Y129 CarbonylContact C-O 3.58Å; A118-Y129 WeakPolarHBondContact CA-O 3.19Å; S119-Y129 PolarHBondContact N-O 2.92Å; S119-Y129 PolarHBondContact O-N 2.83Å; I120-Y129 WeakPolarHBondContact CD1-O 3.48Å; Y129-R131 HydrophobicContact CE1-CB 4.21Å; Y129-R131 HydrophobicContact CE1-CG 4.42Å; Y129-R131 WeakPolarHBondContact OH-CB 3.35Å; Y129-R136 WeakPolarHBondContact OH-CA 3.24Å; Y129-R136 WeakPolarHBondContact OH-CB 3.43Å; Y129-R136 WeakPolarHBondContact OH-CG 3.42Å; Y129-Y137 VanDerWaalsContact CD2-O 3.27Å; Y129-Y137 WeakPolarHBondContact CD2-O 3.44Å; Y129-Y137 WeakPolarHBondContact CE2-O 3.46Å; Y129-V155 HydrophobicContact CE2-CG2 4.19Å; Y129-I324 HydrophobicContact CD2-CD1 3.68Å; Y129-I324 HydrophobicContact CG-CD1 4.11Å; Y129-R367 VanDerWaalsContact CE1-CZ 3.46Å; Y129-R367 VanDerWaalsContact CZ-NH2 3.28Å; Y129-R367 PolarHBondContact OH-NH1 3.12Å; Y129-R367 PolarHBondContact OH-NH2 2.88Å
130	F	74.7	Confident	74.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.3	163.8	66.7	-82.8	0	0	0	114.3	M60 V62 I67 L69 I110 S117 A118 Y137 I139 V152	M60-F130 HydrophobicContact CE-CD1 4.18Å; M60-F130 HydrophobicContact CE-CD2 4.39Å; M60-F130 HydrophobicContact CE-CE1 3.53Å; M60-F130 HydrophobicContact CE-CE2 3.77Å; M60-F130 HydrophobicContact CE-CZ 3.29Å; M60-F130 HydrophobicContact SD-CZ 4.47Å; V62-F130 HydrophobicContact CG2-CZ 4.35Å; I67-F130 HydrophobicContact CD1-CE2 3.78Å; I67-F130 HydrophobicContact CG2-CE2 4.4Å; L69-F130 HydrophobicContact CD1-CD1 4.46Å; L69-F130 HydrophobicContact CD2-CB 3.96Å; L69-F130 HydrophobicContact CD2-CD2 4.43Å; L69-F130 HydrophobicContact CD2-CG 4.21Å; I110-F130 HydrophobicContact CD1-CD2 4.17Å; S117-F130 CarbonylContact O-C 3.58Å; S117-F130 WeakPolarHBondContact O-CA 3Å; A118-F130 HydrophobicContact CB-CB 3.84Å; F130-Y137 AromaticContact CD2-CD2 3.8Å; F130-Y137 HydrophobicContact CD2-CD2 3.8Å; F130-Y137 HydrophobicContact CD2-CG 4.3Å; F130-Y137 HydrophobicContact CE1-CG 4.46Å; F130-Y137 AromaticContact CE2-CD2 3.3Å; F130-Y137 HydrophobicContact CE2-CD2 3.3Å; F130-Y137 HydrophobicContact CE2-CE2 4.08Å; F130-Y137 AromaticContact CE2-CG 3.61Å; F130-Y137 HydrophobicContact CE2-CG 3.61Å; F130-Y137 HydrophobicContact CZ-CD1 4.49Å; F130-Y137 AromaticContact CZ-CD2 3.91Å; F130-Y137 HydrophobicContact CZ-CD2 3.91Å; F130-Y137 AromaticContact CZ-CG 3.7Å; F130-Y137 HydrophobicContact CZ-CG 3.7Å; F130-Y137 PolarHBondContact N-O 3.46Å; F130-Y137 VanDerWaalsContact N-O 3.07Å; F130-Y137 PolarHBondContact O-N 2.72Å; F130-I139 HydrophobicContact CD1-CG2 4.32Å; F130-I139 HydrophobicContact CE1-CB 4.1Å; F130-I139 HydrophobicContact CE1-CG2 4.28Å; F130-V152 HydrophobicContact CE1-CG2 4.5Å; F130-V152 HydrophobicContact CZ-CG1 4.21Å
131	R	68.2	Low	74.9	Confident	56 Å²	56	37.3 Å²	37.3	21%	0.211	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.7	172.2	62.3	168.2	177.9	173.6	5.9	113.3	I110 K115 S116 S117 Y129 Q135 R136	I110-R131 WeakPolarHBondContact CD1-O 3.49Å; K115-R131 PolarHBondContact O-NE 3.43Å; K115-R131 PolarHBondContact O-NH2 3.43Å; S116-R131 VanDerWaalsContact CA-O 3.3Å; S116-R131 WeakPolarHBondContact CA-O 3.3Å; S116-R131 WeakPolarHBondContact CB-O 3.36Å; S117-R131 PolarHBondContact O-N 2.03Å; S117-R131 PolarHBondContact OG-NE 2.04Å; S117-R131 VanDerWaalsContact OG-NE 3.08Å; Y129-R131 HydrophobicContact CE1-CB 4.21Å; Y129-R131 HydrophobicContact CE1-CG 4.42Å; Y129-R131 WeakPolarHBondContact OH-CB 3.35Å; R131-Q135 WeakPolarHBondContact CA-O 3.06Å; R131-R136 HydrophobicContact CB-CG 4.36Å
132	T	71.4	Confident	74.7	Confident	18 Å²	18	40.4 Å²	40.4	11%	0.11	20%	0.201	C	C	.	.			trans	-87.6	179.8	150.9	61.8	0	0	0	0	109.7	I67 I110 D113 E134 Q135	I67-T132 HydrophobicContact CD1-CG2 4.43Å; I110-T132 HydrophobicContact CD1-CG2 3.47Å; I110-T132 VanDerWaalsContact CD1-CG2 3.47Å; D113-T132 WeakPolarHBondContact OD2-CA 3.08Å; T132-E134 PolarHBondContact O-N 2.75Å; T132-E134 PolarHBondContact OG1-N 3.11Å; T132-Q135 PolarHBondContact N-O 2.95Å; T132-Q135 PolarHBondContact OG1-N 3.04Å; T132-Q135 PolarHBondContact OG1-O 3.26Å
133	S	63.6	Low	74.1	Confident	79 Å²	79	43.4 Å²	43.4	55%	0.552	22%	0.222	S	C	*	.	S	Bend	trans	-61.6	-18.4	166.4	42.8	0	0	0	0	114.5	D113	D113-S133 WeakPolarHBondContact OD2-CB 3.46Å; D113-S133 PolarHBondContact OD2-N 3.43Å; D113-S133 PolarHBondContact OD2-OG 2.87Å
134	E	62.1	Low	73.3	Confident	136 Å²	136	45.5 Å²	45.5	64%	0.636	25%	0.249	S	C	*	.	S	Bend	trans	-112.8	-35.5	-176.8	-65.2	-178.1	161.5	0	0	114	R65 T132	R65-E134 IonicContact CZ-OE2 3.43Å; R65-E134 IonicContact NH1-OE2 3.57Å; R65-E134 PolarHBondContact NH1-OE2 3.05Å; R65-E134 IonicContact NH2-OE2 3.28Å; R65-E134 PolarHBondContact NH2-OE2 3.24Å; T132-E134 PolarHBondContact O-N 2.75Å; T132-E134 PolarHBondContact OG1-N 3.11Å
135	Q	66	Low	72.8	Confident	55 Å²	55	40.5 Å²	40.5	26%	0.257	23%	0.234	S	C	.	.			trans	-138.2	147.6	-169.1	-174.3	55.2	59.5	0	0	112.7	R131 T132 Y137 T154	R131-Q135 WeakPolarHBondContact CA-O 3.06Å; T132-Q135 PolarHBondContact N-O 2.95Å; T132-Q135 PolarHBondContact OG1-N 3.04Å; T132-Q135 PolarHBondContact OG1-O 3.26Å; Q135-Y137 HydrophobicContact CB-CE2 3.87Å; Q135-Y137 HydrophobicContact CG-CD1 4.44Å; Q135-Y137 HydrophobicContact CG-CD2 4.45Å; Q135-Y137 HydrophobicContact CG-CE1 3.75Å; Q135-Y137 HydrophobicContact CG-CE2 3.75Å; Q135-Y137 WeakPolarHBondContact CG-OH 3.44Å; Q135-T154 HydrophobicContact CG-CG2 4.3Å
136	R	67	Low	72.1	Confident	55 Å²	55	42.3 Å²	42.3	21%	0.208	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.6	-176.2	-63.7	174.5	-169.3	144.5	9.3	110.2	Y129 R131 T154 V155 D353 N364	Y129-R136 WeakPolarHBondContact OH-CA 3.24Å; Y129-R136 WeakPolarHBondContact OH-CB 3.43Å; Y129-R136 WeakPolarHBondContact OH-CG 3.42Å; R131-R136 HydrophobicContact CB-CG 4.36Å; R136-T154 WeakPolarHBondContact O-CA 3.5Å; R136-V155 HydrophobicContact CB-CB 4.19Å; R136-V155 PolarHBondContact O-N 2.88Å; R136-D353 IonicContact CZ-OD2 2.71Å; R136-D353 IonicContact NH1-OD2 2.75Å; R136-D353 PolarHBondContact NH1-OD2 3.33Å; R136-D353 VanDerWaalsContact NH2-CG 3.28Å; R136-D353 IonicContact NH2-OD1 3.48Å; R136-D353 PolarHBondContact NH2-OD1 3.17Å; R136-D353 VanDerWaalsContact NH2-OD1 3.17Å; R136-D353 IonicContact NH2-OD2 2.68Å; R136-D353 PolarHBondContact NH2-OD2 2.72Å; R136-N364 PolarHBondContact NH1-OD1 2.04Å
137	Y	76.4	Confident	71.6	Confident	15 Å²	15	47.2 Å²	47.2	6%	0.059	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.8	-175.2	-57.7	-80.6	0	0	0	111.6	V62 I67 Y129 F130 Q135 V152 T153 T154	V62-Y137 HydrophobicContact CG1-CD1 3.74Å; V62-Y137 HydrophobicContact CG1-CE1 3.32Å; V62-Y137 HydrophobicContact CG1-CG 4.49Å; I67-Y137 HydrophobicContact CD1-CE2 4.15Å; Y129-Y137 VanDerWaalsContact CD2-O 3.27Å; Y129-Y137 WeakPolarHBondContact CD2-O 3.44Å; Y129-Y137 WeakPolarHBondContact CE2-O 3.46Å; F130-Y137 AromaticContact CD2-CD2 3.8Å; F130-Y137 HydrophobicContact CD2-CD2 3.8Å; F130-Y137 HydrophobicContact CD2-CG 4.3Å; F130-Y137 HydrophobicContact CE1-CG 4.46Å; F130-Y137 AromaticContact CE2-CD2 3.3Å; F130-Y137 HydrophobicContact CE2-CD2 3.3Å; F130-Y137 HydrophobicContact CE2-CE2 4.08Å; F130-Y137 AromaticContact CE2-CG 3.61Å; F130-Y137 HydrophobicContact CE2-CG 3.61Å; F130-Y137 HydrophobicContact CZ-CD1 4.49Å; F130-Y137 AromaticContact CZ-CD2 3.91Å; F130-Y137 HydrophobicContact CZ-CD2 3.91Å; F130-Y137 AromaticContact CZ-CG 3.7Å; F130-Y137 HydrophobicContact CZ-CG 3.7Å; F130-Y137 PolarHBondContact N-O 3.46Å; F130-Y137 VanDerWaalsContact N-O 3.07Å; F130-Y137 PolarHBondContact O-N 2.72Å; Q135-Y137 HydrophobicContact CB-CE2 3.87Å; Q135-Y137 HydrophobicContact CG-CD1 4.44Å; Q135-Y137 HydrophobicContact CG-CD2 4.45Å; Q135-Y137 HydrophobicContact CG-CE1 3.75Å; Q135-Y137 HydrophobicContact CG-CE2 3.75Å; Q135-Y137 WeakPolarHBondContact CG-OH 3.44Å; Y137-V152 HydrophobicContact CD1-CG1 3.58Å; Y137-V152 HydrophobicContact CE1-CG1 4.4Å; Y137-V152 HydrophobicContact CG-CG1 4.12Å; Y137-T153 WeakPolarHBondContact CA-O 3.5Å; Y137-T154 HydrophobicContact CD1-CG2 4.11Å; Y137-T154 HydrophobicContact CE1-CG2 3.88Å
138	L	73.9	Confident	71.6	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.3	159.9	-168.7	79.2	0	0	0	107.6	G128 E140 V152 T153 V155 R322 I324	G128-L138 WeakPolarHBondContact O-CA 3.02Å; G128-L138 WeakPolarHBondContact O-CD1 3.38Å; L138-E140 HydrophobicContact CD2-CG 4.1Å; L138-E140 HydrophobicContact CG-CG 4.34Å; L138-V152 VanDerWaalsContact O-CA 3.31Å; L138-V152 WeakPolarHBondContact O-CA 3.21Å; L138-T153 PolarHBondContact N-O 3.25Å; L138-T153 PolarHBondContact O-N 2.93Å; L138-V155 HydrophobicContact CB-CG2 4.2Å; L138-R322 HydrophobicContact CD2-CG 4.28Å; L138-I324 HydrophobicContact CD1-CD1 3.85Å
139	I	79.4	Confident	72.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134	170	-170.1	167.8	0	0	0	110.2	P37 M60 I120 L126 R127 G128 F130 H150 A151 V152	P37-I139 HydrophobicContact CG-CD1 4.26Å; M60-I139 HydrophobicContact SD-CD1 4.07Å; I120-I139 HydrophobicContact CD1-CG2 3.77Å; L126-I139 HydrophobicContact CB-CD1 4.01Å; L126-I139 HydrophobicContact CB-CG1 4.48Å; L126-I139 HydrophobicContact CB-CG2 4.47Å; L126-I139 HydrophobicContact CD1-CD1 4.38Å; R127-I139 CarbonylContact C-O 3.56Å; R127-I139 WeakPolarHBondContact CA-O 3.48Å; G128-I139 PolarHBondContact N-O 3.03Å; G128-I139 PolarHBondContact O-N 2.83Å; F130-I139 HydrophobicContact CD1-CG2 4.32Å; F130-I139 HydrophobicContact CE1-CB 4.1Å; F130-I139 HydrophobicContact CE1-CG2 4.28Å; I139-H150 HydrophobicContact CD1-CB 3.88Å; I139-H150 HydrophobicContact CG1-CB 3.76Å; I139-A151 WeakPolarHBondContact CA-O 3.38Å; I139-V152 HydrophobicContact CB-CG2 4.04Å; I139-V152 HydrophobicContact CD1-CG2 3.91Å; I139-V152 HydrophobicContact CG1-CG2 3.77Å
140	E	80.2	Confident	72.8	Confident	51 Å²	51	45.7 Å²	45.7	24%	0.238	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.9	175.7	-62.1	-172.1	158.5	0	0	110.3	L138 H150 A151	L138-E140 HydrophobicContact CD2-CG 4.1Å; L138-E140 HydrophobicContact CG-CG 4.34Å; E140-H150 CarbonylContact O-C 3.5Å; E140-H150 VanDerWaalsContact O-CA 3.26Å; E140-H150 WeakPolarHBondContact O-CA 3.21Å; E140-A151 PolarHBondContact N-O 3.35Å; E140-A151 PolarHBondContact O-N 2.04Å
141	P	82.3	Confident	73.2	Confident	33 Å²	33	46.1 Å²	46.1	21%	0.214	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.5	179.9	29.3	-33.9	0	0	0	111.5	E124 H150	E124-P141 WeakPolarHBondContact O-CG 3.29Å; P141-H150 VanDerWaalsContact CA-CD2 3.5Å; P141-H150 WeakPolarHBondContact CA-CD2 3.29Å
142	L	77.7	Confident	73.9	Confident	70 Å²	70	43.6 Å²	43.6	37%	0.366	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-48.5	172.7	-63.8	171.7	0	0	0	111	Y32 V34 E149 A151	Y32-L142 HydrophobicContact CE2-CD1 4.33Å; V34-L142 HydrophobicContact CG1-CD1 4.26Å; V34-L142 HydrophobicContact CG2-CD1 4.01Å; L142-E149 WeakPolarHBondContact CA-O 3.4Å; L142-E149 HydrophobicContact CB-CB 4.28Å; L142-E149 WeakPolarHBondContact CB-O 3.15Å; L142-E149 PolarHBondContact N-O 3.37Å; L142-A151 HydrophobicContact CD1-CB 4.09Å; L142-A151 HydrophobicContact CD2-CB 4.07Å; L142-A151 HydrophobicContact CG-CB 4.08Å
143	S	71.9	Confident	74	Confident	66 Å²	66	43.6 Å²	43.6	46%	0.462	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	146.8	174.5	69.8	0	0	0	0	112.5	G148 E149	S143-G148 CarbonylContact O-C 3.58Å; S143-G148 WeakPolarHBondContact O-CA 3.01Å; S143-E149 PolarHBondContact N-O 2.74Å; S143-E149 PolarHBondContact O-N 3.08Å
144	G	58.1	Low	74.3	Confident	72 Å²	72	42.5 Å²	42.5	74%	0.742	25%	0.246	S	C	*	.	S	Bend	trans	98.6	13.9	164.7	0	0	0	0	0	118.1
145	G	67.1	Low	74.2	Confident	31 Å²	31	36.4 Å²	36.4	32%	0.32	22%	0.218	S	C	.	.	S	Bend	trans	79.8	-153.2	176	0	0	0	0	0	113.6	E147 G148 H150	G145-E147 PolarHBondContact O-N 2.84Å; G145-G148 PolarHBondContact O-N 2.81Å; G145-G148 VanDerWaalsContact O-N 3.11Å; G145-H150 PolarHBondContact O-CE1 2.92Å; G145-H150 PolarHBondContact O-NE2 3.28Å
146	D	65.8	Low	73.6	Confident	42 Å²	42	37.6 Å²	37.6	23%	0.225	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.2	-172.1	60.6	-42.6	0	0	0	114.5	R39 Y58 L126	R39-D146 IonicContact CZ-OD2 2.82Å; R39-D146 IonicContact NH1-OD2 3.22Å; R39-D146 PolarHBondContact NH1-OD2 3.48Å; Y58-D146 HydrophobicContact CE1-CB 4.49Å; Y58-D146 PolarHBondContact OH-OD2 2.64Å; Y58-D146 VanDerWaalsContact OH-OD2 3.09Å; L126-D146 HydrophobicContact CD2-CB 4.11Å
147	E	71.3	Confident	72.8	Confident	103 Å²	103	36.7 Å²	36.7	48%	0.481	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	14.8	169.6	-57.6	-164.3	108.3	0	0	113	P37 R39 G145	P37-E147 WeakPolarHBondContact O-CA 3.34Å; R39-E147 HydrophobicContact CB-CG 4.09Å; R39-E147 WeakPolarHBondContact CB-OE1 3Å; R39-E147 PolarHBondContact N-OE1 3.34Å; G145-E147 PolarHBondContact O-N 2.84Å
148	G	78.9	Confident	71.3	Confident	7 Å²	7	47 Å²	47	7%	0.072	26%	0.264	C	S	.	.	S	Bend	trans	-75.1	-174.9	-176.9	0	0	0	0	0	115.6	P37 S143 G145 H150	P37-G148 VanDerWaalsContact CD-O 3.27Å; P37-G148 WeakPolarHBondContact CD-O 3.17Å; S143-G148 CarbonylContact O-C 3.58Å; S143-G148 WeakPolarHBondContact O-CA 3.01Å; G145-G148 PolarHBondContact O-N 2.81Å; G145-G148 VanDerWaalsContact O-N 3.11Å; G148-H150 PolarHBondContact O-CE1 2.96Å; G148-H150 PolarHBondContact O-ND1 3.44Å
149	E	84.6	Confident	69.9	Low	62 Å²	62	53.8 Å²	53.8	29%	0.29	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.1	164.1	-66.1	-169.3	154.2	0	0	110.3	V34 R36 L142 S143	V34-E149 HydrophobicContact CG1-CB 4.26Å; V34-E149 HydrophobicContact CG1-CG 4.47Å; R36-E149 HydrophobicContact CG-CG 4Å; R36-E149 IonicContact CZ-OE1 3.97Å; R36-E149 VanDerWaalsContact CZ-OE1 3.3Å; R36-E149 IonicContact NE-OE1 2.7Å; R36-E149 PolarHBondContact NE-OE1 3.34Å; R36-E149 VanDerWaalsContact NE-OE1 3.14Å; R36-E149 IonicContact NH2-OE1 2.71Å; R36-E149 PolarHBondContact NH2-OE1 3.23Å; L142-E149 WeakPolarHBondContact CA-O 3.4Å; L142-E149 HydrophobicContact CB-CB 4.28Å; L142-E149 WeakPolarHBondContact CB-O 3.15Å; L142-E149 PolarHBondContact N-O 3.37Å; S143-E149 PolarHBondContact N-O 2.74Å; S143-E149 PolarHBondContact O-N 3.08Å
150	H	87.8	Confident	68.4	Low	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.6	-179.2	-65.9	76.9	0	0	0	109.8	V34 V35 P37 L126 I139 E140 P141 G145 G148	V34-H150 WeakPolarHBondContact CA-O 3.34Å; V35-H150 HydrophobicContact CG2-CB 4.11Å; V35-H150 PolarHBondContact N-O 3.37Å; V35-H150 PolarHBondContact O-N 3.41Å; P37-H150 WeakPolarHBondContact CD-ND1 3.46Å; L126-H150 WeakPolarHBondContact CB-NE2 3.4Å; L126-H150 PolarHBondContact N-NE2 2.96Å; L126-H150 PolarHBondContact O-CD2 2.8Å; L126-H150 VanDerWaalsContact O-CD2 3.26Å; I139-H150 HydrophobicContact CD1-CB 3.88Å; I139-H150 HydrophobicContact CG1-CB 3.76Å; E140-H150 CarbonylContact O-C 3.5Å; E140-H150 VanDerWaalsContact O-CA 3.26Å; E140-H150 WeakPolarHBondContact O-CA 3.21Å; P141-H150 VanDerWaalsContact CA-CD2 3.5Å; P141-H150 WeakPolarHBondContact CA-CD2 3.29Å; G145-H150 PolarHBondContact O-CE1 2.92Å; G145-H150 PolarHBondContact O-NE2 3.28Å; G148-H150 PolarHBondContact O-CE1 2.96Å; G148-H150 PolarHBondContact O-ND1 3.44Å
151	A	83.4	Confident	66.7	Low	9 Å²	9	60.5 Å²	60.5	7%	0.074	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.4	166.5	0	0	0	0	0	108.4	Y32 I139 E140 L142	Y32-A151 HydrophobicContact CD2-CB 3.64Å; Y32-A151 HydrophobicContact CE2-CB 4.26Å; Y32-A151 HydrophobicContact CG-CB 4.05Å; I139-A151 WeakPolarHBondContact CA-O 3.38Å; E140-A151 PolarHBondContact N-O 3.35Å; E140-A151 PolarHBondContact O-N 2.04Å; L142-A151 HydrophobicContact CD1-CB 4.09Å; L142-A151 HydrophobicContact CD2-CB 4.07Å; L142-A151 HydrophobicContact CG-CB 4.08Å
152	V	83.3	Confident	65.2	Low	3 Å²	3	64.5 Å²	64.5	2%	0.018	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.4	167.3	170.5	0	0	0	0	109.1	E33 V35 V62 F130 Y137 L138 I139	E33-V152 PolarHBondContact N-O 2.89Å; E33-V152 PolarHBondContact O-N 3.31Å; V35-V152 HydrophobicContact CG1-CB 4.26Å; V35-V152 HydrophobicContact CG1-CG2 4.18Å; V35-V152 HydrophobicContact CG2-CB 4.4Å; V35-V152 HydrophobicContact CG2-CG2 3.51Å; V62-V152 HydrophobicContact CG1-CB 4.5Å; V62-V152 HydrophobicContact CG1-CG1 3.61Å; F130-V152 HydrophobicContact CE1-CG2 4.5Å; F130-V152 HydrophobicContact CZ-CG1 4.21Å; Y137-V152 HydrophobicContact CD1-CG1 3.58Å; Y137-V152 HydrophobicContact CE1-CG1 4.4Å; Y137-V152 HydrophobicContact CG-CG1 4.12Å; L138-V152 VanDerWaalsContact O-CA 3.31Å; L138-V152 WeakPolarHBondContact O-CA 3.21Å; I139-V152 HydrophobicContact CB-CG2 4.04Å; I139-V152 HydrophobicContact CD1-CG2 3.91Å; I139-V152 HydrophobicContact CG1-CG2 3.77Å
153	T	74	Confident	64.5	Low	17 Å²	17	61.9 Å²	61.9	10%	0.104	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.2	-178.5	-51.4	0	0	0	0	108.6	Y32 Y137 L138 V155	Y32-T153 WeakPolarHBondContact CB-OG1 3.16Å; Y137-T153 WeakPolarHBondContact CA-O 3.5Å; L138-T153 PolarHBondContact N-O 3.25Å; L138-T153 PolarHBondContact O-N 2.93Å; T153-V155 PolarHBondContact O-N 2.03Å
154	T	69.9	Low	64	Low	57 Å²	57	61.1 Å²	61.1	35%	0.35	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126.6	169	60.1	0	0	0	0	108.6	Q135 R136 Y137 N156	Q135-T154 HydrophobicContact CG-CG2 4.3Å; R136-T154 WeakPolarHBondContact O-CA 3.5Å; Y137-T154 HydrophobicContact CD1-CG2 4.11Å; Y137-T154 HydrophobicContact CE1-CG2 3.88Å; T154-N156 VanDerWaalsContact C-N 3.29Å; T154-N156 PolarHBondContact O-N 3.44Å; T154-N156 PolarHBondContact OG1-ND2 3.49Å
155	V	58.7	Low	64	Low	7 Å²	7	58.3 Å²	58.3	4%	0.042	32%	0.322	C	S	.	.	S	Bend	trans	-73	87.3	-178	-176	0	0	0	0	109.2	Y129 R136 L138 T153	Y129-V155 HydrophobicContact CE2-CG2 4.19Å; R136-V155 HydrophobicContact CB-CB 4.19Å; R136-V155 PolarHBondContact O-N 2.88Å; L138-V155 HydrophobicContact CB-CG2 4.2Å; T153-V155 PolarHBondContact O-N 2.03Å
156	N	53	Low	62.9	Low	81 Å²	81	57.9 Å²	57.9	43%	0.433	32%	0.317	S	S	.	.			trans	-143.1	31.3	-171.7	-81.1	-41.8	0	0	0	111.9	T154 R158 Y363	T154-N156 VanDerWaalsContact C-N 3.29Å; T154-N156 PolarHBondContact O-N 3.44Å; T154-N156 PolarHBondContact OG1-ND2 3.49Å; N156-R158 PolarHBondContact O-N 3.22Å; N156-Y363 WeakPolarHBondContact CA-OH 3.34Å; N156-Y363 PolarHBondContact O-OH 3.17Å
157	D	51.4	Low	62.2	Low	35 Å²	35	56 Å²	56	19%	0.187	31%	0.307	C	S	.	.			trans	-77.6	95.5	-173.1	-43.6	-91.3	0	0	0	114	N159 R322 Y363	D157-N159 PolarHBondContact O-N 3Å; D157-R322 VanDerWaalsContact CG-NH2 3.28Å; D157-R322 IonicContact OD1-CZ 2.59Å; D157-R322 IonicContact OD1-NH1 3.29Å; D157-R322 IonicContact OD1-NH2 3.76Å; D157-R322 PolarHBondContact OD1-NH2 3.27Å; D157-R322 IonicContact OD2-CZ 3.28Å; D157-R322 IonicContact OD2-NH1 2.68Å; D157-R322 PolarHBondContact OD2-NH1 2.86Å; D157-R322 IonicContact OD2-NH2 2.67Å; D157-R322 PolarHBondContact OD2-NH2 2.87Å; D157-Y363 VanDerWaalsContact C-CE2 3.49Å; D157-Y363 WeakPolarHBondContact O-CD2 3.35Å; D157-Y363 WeakPolarHBondContact O-CE2 3.36Å
158	R	44.6	Very low	61	Low	231 Å²	231	54.2 Å²	54.2	87%	0.872	30%	0.303	S	S	*	.			trans	-63.7	4.4	-171.3	-72.1	-176.5	172.3	179.8	-2.3	117.8	N156	N156-R158 PolarHBondContact O-N 3.22Å
159	N	44.4	Very low	59	Low	153 Å²	153	58 Å²	58	82%	0.818	32%	0.322	S	S	*	.			trans	-123.5	96.1	-175.2	-66.3	-15	0	0	0	111.4	D157	D157-N159 PolarHBondContact O-N 3Å
160	L	47.9	Very low	56.4	Low	86 Å²	86	60.9 Å²	60.9	45%	0.45	34%	0.343	S	S	.	.			trans	-127.1	140.8	158	-82.5	88.2	0	0	0	109.1	Y363	L160-Y363 HydrophobicContact CD1-CD2 4.41Å
161	S	45.3	Very low	53.8	Low	105 Å²	105	62.7 Å²	62.7	73%	0.734	36%	0.356	S	S	*	.			trans	-63.6	147.3	164.9	-59.2	0	0	0	0	110	A163	S161-A163 PolarHBondContact O-N 3.41Å
162	P	50	Low	51.4	Low	117 Å²	117	68.5 Å²	68.5	76%	0.76	38%	0.376	S	S	*	.			trans	-58.6	123.5	172.1	-22.2	33.7	0	0	0	110.4	A297	P162-A297 WeakPolarHBondContact O-CB 3.3Å
163	A	63.5	Low	49	Very low	15 Å²	15	71.6 Å²	71.6	12%	0.124	39%	0.391	C	S	.	.			trans	-133.5	144.9	-179.9	0	0	0	0	0	109.9	S161 A297 V299 A360 L361	S161-A163 PolarHBondContact O-N 3.41Å; A163-A297 CarbonylContact C-O 3.46Å; A163-A297 VanDerWaalsContact CA-O 3.23Å; A163-A297 WeakPolarHBondContact CA-O 3.48Å; A163-V299 HydrophobicContact CB-CG1 3.74Å; A163-V299 HydrophobicContact CB-CG2 4.45Å; A163-A360 CarbonylContact O-C 3.6Å; A163-A360 WeakPolarHBondContact O-CA 3.37Å; A163-L361 HydrophobicContact CB-CB 4.01Å; A163-L361 HydrophobicContact CB-CD1 3.75Å; A163-L361 HydrophobicContact CB-CG 3.91Å; A163-L361 PolarHBondContact O-N 2.97Å
164	V	61.3	Low	46.9	Very low	51 Å²	51	77.1 Å²	77.1	31%	0.309	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.7	-172.3	-57.9	0	0	0	0	111.5	A297 T298 V299 A359 A360	V164-A297 HydrophobicContact CG1-CB 4.48Å; V164-A297 HydrophobicContact CG2-CB 3.88Å; V164-A297 PolarHBondContact N-O 3.14Å; V164-T298 CarbonylContact O-C 3.55Å; V164-T298 WeakPolarHBondContact O-CA 3.42Å; V164-V299 WeakPolarHBondContact O-CG2 3.02Å; V164-V299 PolarHBondContact O-N 2.93Å; V164-A359 WeakPolarHBondContact CA-O 3.33Å; V164-A359 WeakPolarHBondContact CB-O 3.33Å; V164-A360 HydrophobicContact CG1-CB 4.05Å
165	C	58.6	Low	45.2	Very low	13 Å²	13	77.9 Å²	77.9	9%	0.088	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.3	161.2	-176.3	0	0	0	0	109.3	V167 H332 E333 H342 A359	C165-V167 VanDerWaalsContact C-N 3.29Å; C165-V167 VanDerWaalsContact SG-CB 3.56Å; C165-V167 VanDerWaalsContact SG-CG2 3.56Å; C165-V167 PolarHBondContact SG-N 2.92Å; C165-V167 VanDerWaalsContact SG-N 3.35Å; C165-H332 WeakPolarHBondContact CB-NE2 3.45Å; C165-H332 PolarHBondContact SG-NE2 2.87Å; C165-H332 VanDerWaalsContact SG-NE2 3.39Å; C165-E333 PolarHBondContact SG-OE1 3.28Å; C165-H342 VanDerWaalsContact CB-CE1 3.46Å; C165-H342 WeakPolarHBondContact CB-CE1 3.23Å; C165-H342 WeakPolarHBondContact CB-NE2 3.24Å; C165-H342 PolarHBondContact SG-NE2 2.84Å; C165-A359 PolarHBondContact N-O 2.87Å
166	G	42.9	Very low	44.1	Very low	21 Å²	21	80.3 Å²	80.3	22%	0.216	43%	0.433	C	S	.	.	S	Bend	trans	-79.2	-12.4	175.6	0	0	0	0	0	113.5	T168 G300 L301	G166-T168 PolarHBondContact O-N 3.09Å; G166-G300 PolarHBondContact N-O 2.99Å; G166-L301 WeakPolarHBondContact O-CD1 3.35Å
167	V	51.2	Low	43.3	Very low	4 Å²	4	80.4 Å²	80.4	2%	0.024	43%	0.431	C	S	.	.			trans	-68.9	126.5	178.3	179.3	0	0	0	0	108.6	C165 L301 A302 I304 H342	C165-V167 VanDerWaalsContact C-N 3.29Å; C165-V167 VanDerWaalsContact SG-CB 3.56Å; C165-V167 VanDerWaalsContact SG-CG2 3.56Å; C165-V167 PolarHBondContact SG-N 2.92Å; C165-V167 VanDerWaalsContact SG-N 3.35Å; V167-L301 HydrophobicContact CB-CD1 4.47Å; V167-L301 HydrophobicContact CG2-CD1 3.78Å; V167-L301 HydrophobicContact CG2-CG 4.47Å; V167-A302 VanDerWaalsContact CG2-O 3.24Å; V167-A302 WeakPolarHBondContact CG2-O 3.41Å; V167-I304 HydrophobicContact CG1-CD1 3.67Å; V167-I304 HydrophobicContact CG1-CG1 3.87Å; V167-H342 VanDerWaalsContact C-CE1 3.41Å; V167-H342 PolarHBondContact O-CE1 3.07Å
168	T	45.5	Very low	42.5	Very low	64 Å²	64	79.4 Å²	79.4	39%	0.393	43%	0.426	S	S	.	.			trans	-102.9	161.3	174.5	67	0	0	0	0	110.1	G166 T170 S171	G166-T168 PolarHBondContact O-N 3.09Å; T168-T170 PolarHBondContact O-N 2.98Å; T168-T170 PolarHBondContact OG1-N 2.82Å; T168-T170 PolarHBondContact OG1-OG1 3.5Å; T168-S171 PolarHBondContact N-OG 3.49Å; T168-S171 VanDerWaalsContact O-CB 3.27Å; T168-S171 WeakPolarHBondContact O-CB 3.49Å; T168-S171 PolarHBondContact O-N 2.87Å; T168-S171 PolarHBondContact OG1-N 2.92Å; T168-S171 PolarHBondContact OG1-OG 3.38Å
169	N	38	Very low	42	Very low	88 Å²	88	72.5 Å²	72.5	47%	0.471	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-3.7	167.1	-75.9	-47.8	0	0	0	113.5	D344	N169-D344 PolarHBondContact ND2-OD2 2.96Å
170	T	30.7	Very low	41.4	Very low	121 Å²	121	69.6 Å²	69.6	74%	0.742	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	1.6	168.5	38.9	0	0	0	0	113.5	T168 W172	T168-T170 PolarHBondContact O-N 2.98Å; T168-T170 PolarHBondContact OG1-N 2.82Å; T168-T170 PolarHBondContact OG1-OG1 3.5Å; T170-W172 PolarHBondContact O-N 3Å
171	S	31.4	Very low	41	Very low	39 Å²	39	67.6 Å²	67.6	27%	0.273	39%	0.393	S	S	.	.			trans	-83.4	21.6	173.3	-59.3	0	0	0	0	112.6	T168 E173	T168-S171 PolarHBondContact N-OG 3.49Å; T168-S171 VanDerWaalsContact O-CB 3.27Å; T168-S171 WeakPolarHBondContact O-CB 3.49Å; T168-S171 PolarHBondContact O-N 2.87Å; T168-S171 PolarHBondContact OG1-N 2.92Å; T168-S171 PolarHBondContact OG1-OG 3.38Å; S171-E173 PolarHBondContact O-N 3.3Å
172	W	34.3	Very low	40.4	Very low	130 Å²	130	73.1 Å²	73.1	49%	0.492	40%	0.397	S	S	.	.	S	Bend	trans	-67.4	108.1	146	-63.5	87.9	0	0	0	106.7	T170 D174 M176	T170-W172 PolarHBondContact O-N 3Å; W172-D174 PolarHBondContact O-N 3.02Å; W172-M176 HydrophobicContact CE3-CE 4.04Å; W172-M176 HydrophobicContact CE3-SD 4.16Å; W172-M176 HydrophobicContact CZ3-CE 4.37Å; W172-M176 HydrophobicContact CZ3-SD 4.28Å
173	E	32.4	Very low	39.6	Very low	69 Å²	69	71.6 Å²	71.6	32%	0.322	39%	0.389	S	S	.	.			trans	-62.5	120.6	165	-70.1	-172.1	135.7	0	0	108.6	S171 D175 M176 Y303 H311	S171-E173 PolarHBondContact O-N 3.3Å; E173-D175 HydrophobicContact CB-CB 4.37Å; E173-D175 PolarHBondContact O-N 2.04Å; E173-M176 PolarHBondContact O-N 2.76Å; E173-M176 VanDerWaalsContact O-N 3.07Å; E173-Y303 WeakPolarHBondContact OE2-CE1 3.47Å; E173-H311 IonicContact OE2-CD2 3.12Å; E173-H311 IonicContact OE2-NE2 2.68Å
174	D	30.1	Very low	38.3	Very low	133 Å²	133	73.3 Å²	73.3	71%	0.711	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.1	169.3	-100.5	-34.1	0	0	0	112	W172 M176	W172-D174 PolarHBondContact O-N 3.02Å; D174-M176 VanDerWaalsContact C-N 3.28Å; D174-M176 PolarHBondContact O-N 3.35Å
175	D	33.2	Very low	37	Very low	73 Å²	73	72.8 Å²	72.8	39%	0.39	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	15.4	175.1	-74.1	-31.9	0	0	0	114.3	E173 E177 K590	E173-D175 HydrophobicContact CB-CB 4.37Å; E173-D175 PolarHBondContact O-N 2.04Å; D175-E177 PolarHBondContact O-N 2.98Å; D175-K590 HydrophobicContact CB-CD 3.88Å; D175-K590 VanDerWaalsContact CG-CD 3.46Å; D175-K590 WeakPolarHBondContact OD1-CD 3.5Å; D175-K590 IonicContact OD1-NZ 2.75Å; D175-K590 IonicContact OD2-NZ 2.74Å; D175-K590 PolarHBondContact OD2-NZ 3.39Å
176	M	35.9	Very low	36.1	Very low	57 Å²	57	75.3 Å²	75.3	28%	0.281	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-48	116.1	172.4	-90.3	-160.2	-68.6	0	0	111.9	W172 E173 D174 P178	W172-M176 HydrophobicContact CE3-CE 4.04Å; W172-M176 HydrophobicContact CE3-SD 4.16Å; W172-M176 HydrophobicContact CZ3-CE 4.37Å; W172-M176 HydrophobicContact CZ3-SD 4.28Å; E173-M176 PolarHBondContact O-N 2.76Å; E173-M176 VanDerWaalsContact O-N 3.07Å; D174-M176 VanDerWaalsContact C-N 3.28Å; D174-M176 PolarHBondContact O-N 3.35Å; M176-P178 WeakPolarHBondContact O-CD 3.3Å; M176-P178 VanDerWaalsContact O-N 3.17Å
177	E	35.8	Very low	35.8	Very low	84 Å²	84	76.7 Å²	76.7	39%	0.393	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-54.9	122.1	160.3	-86.6	-154.6	169.4	0	0	108.7	D175 Y592	D175-E177 PolarHBondContact O-N 2.98Å; E177-Y592 HydrophobicContact CG-CE1 3.94Å; E177-Y592 HydrophobicContact CG-CE2 4.49Å; E177-Y592 WeakPolarHBondContact CG-OH 3.38Å
178	P	35.6	Very low	34.9	Very low	13 Å²	13	78.9 Å²	78.9	8%	0.084	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-62.2	143.5	167	22.4	-27.1	0	0	0	108.7	M176 T180 Y570 Y592	M176-P178 WeakPolarHBondContact O-CD 3.3Å; M176-P178 VanDerWaalsContact O-N 3.17Å; P178-T180 PolarHBondContact O-N 3.1Å; P178-Y570 HydrophobicContact CB-CE1 3.65Å; P178-Y570 WeakPolarHBondContact CB-OH 3.14Å; P178-Y570 HydrophobicContact CG-CE1 4.14Å; P178-Y570 HydrophobicContact CG-CE2 4.3Å; P178-Y592 VanDerWaalsContact CD-CD2 3.4Å; P178-Y592 VanDerWaalsContact CG-CB 3.49Å; P178-Y592 HydrophobicContact CG-CD1 4.27Å; P178-Y592 HydrophobicContact CG-CD2 4.27Å; P178-Y592 HydrophobicContact CG-CG 3.76Å
179	P	34.7	Very low	34.6	Very low	87 Å²	87	77.4 Å²	77.4	57%	0.565	43%	0.426	S	S	*	.			trans	-56	102.9	-167.2	21.2	-34.1	0	0	0	112	S181	P179-S181 PolarHBondContact O-N 3.5Å
180	T	30.8	Very low	34.7	Very low	91 Å²	91	78.7 Å²	78.7	56%	0.558	43%	0.433	S	S	*	.			trans	-73.3	118.7	175.1	49.5	0	0	0	0	107.7	P178 R182	P178-T180 PolarHBondContact O-N 3.1Å; T180-R182 PolarHBondContact O-N 3.49Å
181	S	39.8	Very low	35.7	Very low	45 Å²	45	76.9 Å²	76.9	32%	0.315	42%	0.423	S	S	.	.			trans	-82.8	94.4	-165	62.9	0	0	0	0	112.4	P179	P179-S181 PolarHBondContact O-N 3.5Å
182	R	32.7	Very low	37	Very low	221 Å²	221	76.6 Å²	76.6	83%	0.834	42%	0.419	S	S	*	.			trans	-122.2	125.9	170.7	-66.1	-176	174.8	171.2	1.1	109.2	T180	T180-R182 PolarHBondContact O-N 3.49Å
183	S	32.5	Very low	38.2	Very low	84 Å²	84	73.2 Å²	73.2	59%	0.587	41%	0.41	S	S	*	.			trans	50	85.9	-174.4	-159.3	0	0	0	0	115.1	S185 S387	S183-S185 PolarHBondContact O-N 3.34Å; S183-S387 WeakPolarHBondContact O-CB 3.46Å; S183-S387 PolarHBondContact O-OG 3.35Å
184	R	36.6	Very low	39.3	Very low	52 Å²	52	74.1 Å²	74.1	20%	0.196	42%	0.417	C	S	.	.			trans	-76.5	103	150.5	-74.3	175.6	172.3	-159.1	-0.1	106.4	R186 D464 G501	R184-R186 HydrophobicContact CB-CG 4.37Å; R184-D464 IonicContact NH1-OD2 3.66Å; R184-D464 PolarHBondContact NH1-OD2 2.79Å; R184-G501 VanDerWaalsContact CZ-O 3.32Å; R184-G501 PolarHBondContact NH1-O 2.03Å
185	S	33.6	Very low	40.9	Very low	40 Å²	40	69.6 Å²	69.6	28%	0.28	39%	0.392	S	S	.	.			trans	-99.9	116.7	149.1	-174.4	0	0	0	0	106.5	S183	S183-S185 PolarHBondContact O-N 3.34Å
186	R	40.7	Very low	42.7	Very low	65 Å²	65	69 Å²	69	25%	0.245	39%	0.387	C	S	.	.			trans	-136.3	61	-171.6	-76.4	-176.3	164.2	175.6	-6.4	109.8	R184 G188 R460 D482	R184-R186 HydrophobicContact CB-CG 4.37Å; R186-G188 PolarHBondContact O-N 3.48Å; R186-R460 WeakPolarHBondContact O-CD 3.39Å; R186-D482 PolarHBondContact N-OD2 3.43Å
187	S	35.7	Very low	44.8	Very low	51 Å²	51	66.3 Å²	66.3	36%	0.357	37%	0.373	S	S	.	.			trans	-44	130.1	179.1	-44.1	0	0	0	0	112.9	G189	S187-G189 PolarHBondContact O-N 3.49Å; S187-G189 VanDerWaalsContact O-N 3.09Å
188	G	32.5	Very low	47	Very low	50 Å²	50	63.7 Å²	63.7	52%	0.515	36%	0.36	S	S	.	.	S	Bend	trans	-77.9	18.3	178.8	0	0	0	0	0	114.6	R186	R186-G188 PolarHBondContact O-N 3.48Å
189	G	40	Very low	49.6	Very low	33 Å²	33	63.2 Å²	63.2	34%	0.34	36%	0.357	S	S	.	.	S	Bend	trans	-80.5	-151.8	-178.5	0	0	0	0	0	113.5	S187	S187-G189 PolarHBondContact O-N 3.49Å; S187-G189 VanDerWaalsContact O-N 3.09Å
190	L	40.2	Very low	52.2	Low	115 Å²	115	60.5 Å²	60.5	60%	0.602	34%	0.336	S	S	*	.	S	Bend	trans	-49	143.5	174.3	-79	153.3	0	0	0	111.4	V192 L194 Q195	L190-V192 PolarHBondContact O-N 3.23Å; L190-L194 HydrophobicContact CB-CB 4.36Å; L190-L194 HydrophobicContact CD2-CB 4.43Å; L190-L194 HydrophobicContact CD2-CD1 4.07Å; L190-Q195 HydrophobicContact CB-CG 4.25Å; L190-Q195 WeakPolarHBondContact O-CG 3Å; L190-Q195 PolarHBondContact O-NE2 3.15Å
191	P	52	Low	55.1	Low	83 Å²	83	56.1 Å²	56.1	54%	0.539	31%	0.31	S	S	.	.			trans	-44.7	137.6	172.3	-30.3	33.8	0	0	0	112.2	L193 L194 Q195	P191-L193 PolarHBondContact O-N 3.11Å; P191-L194 HydrophobicContact CG-CD1 4.38Å; P191-L194 PolarHBondContact O-N 3.34Å; P191-Q195 PolarHBondContact O-N 3.39Å
192	V	57.9	Low	57.8	Low	33 Å²	33	54 Å²	54	20%	0.2	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-29.7	-174	-178	0	0	0	0	113.4	L190 K197 L381 F390	L190-V192 PolarHBondContact O-N 3.23Å; V192-K197 WeakPolarHBondContact O-CE 3.23Å; V192-K197 PolarHBondContact O-NZ 2.78Å; V192-L381 HydrophobicContact CG1-CB 4.07Å; V192-L381 HydrophobicContact CG1-CD1 4.42Å; V192-L381 HydrophobicContact CG1-CD2 4.4Å; V192-F390 HydrophobicContact CG1-CE1 4.06Å; V192-F390 HydrophobicContact CG1-CE2 4.42Å; V192-F390 HydrophobicContact CG1-CZ 3.5Å; V192-F390 VanDerWaalsContact CG1-CZ 3.5Å
193	L	58.6	Low	60.9	Low	58 Å²	58	43.5 Å²	43.5	30%	0.304	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.9	177	-49	-174.1	0	0	0	113	P191 K197 E378 L381 T382	P191-L193 PolarHBondContact O-N 3.11Å; L193-K197 PolarHBondContact O-NZ 3.19Å; L193-E378 HydrophobicContact CD1-CB 4.03Å; L193-E378 HydrophobicContact CD1-CG 3.8Å; L193-E378 HydrophobicContact CD2-CB 3.83Å; L193-E378 HydrophobicContact CD2-CG 3.86Å; L193-E378 HydrophobicContact CG-CG 4.37Å; L193-L381 HydrophobicContact CD2-CB 4.17Å; L193-L381 HydrophobicContact CD2-CD1 3.81Å; L193-T382 HydrophobicContact CD2-CG2 4.15Å
194	L	56.2	Low	64	Low	89 Å²	89	39.5 Å²	39.5	47%	0.466	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.7	-178	-66.1	178.5	0	0	0	114	L190 P191 K239	L190-L194 HydrophobicContact CB-CB 4.36Å; L190-L194 HydrophobicContact CD2-CB 4.43Å; L190-L194 HydrophobicContact CD2-CD1 4.07Å; P191-L194 HydrophobicContact CG-CD1 4.38Å; P191-L194 PolarHBondContact O-N 3.34Å; L194-K239 VanDerWaalsContact O-CD 3.23Å; L194-K239 WeakPolarHBondContact O-CD 3.5Å; L194-K239 PolarHBondContact O-NZ 3.05Å
195	Q	64.4	Low	66.9	Low	37 Å²	37	37 Å²	37	17%	0.173	22%	0.218	C	C	.	.	S	Bend	trans	-64.6	153.2	172.5	-60.6	-177.3	11.5	0	0	110.9	L190 P191 K197	L190-Q195 HydrophobicContact CB-CG 4.25Å; L190-Q195 WeakPolarHBondContact O-CG 3Å; L190-Q195 PolarHBondContact O-NE2 3.15Å; P191-Q195 PolarHBondContact O-N 3.39Å; Q195-K197 WeakPolarHBondContact O-CD 3Å; Q195-K197 VanDerWaalsContact O-CE 3.3Å; Q195-K197 WeakPolarHBondContact O-CE 3.35Å; Q195-K197 PolarHBondContact O-NZ 2.82Å
196	Q	69.9	Low	70	Confident	61 Å²	61	35.1 Å²	35.1	29%	0.285	21%	0.205	S	C	.	.			trans	-82.8	138.3	168.5	-175.9	64.1	23.3	0	0	109.3	Y198 K239 F408	Q196-Y198 HydrophobicContact CB-CE2 4.43Å; Q196-Y198 HydrophobicContact CG-CE1 4.45Å; Q196-Y198 HydrophobicContact CG-CE2 4.04Å; Q196-K239 VanDerWaalsContact CD-O 3.3Å; Q196-K239 PolarHBondContact NE2-O 2.86Å; Q196-K239 PolarHBondContact OE1-O 3.23Å; Q196-F408 HydrophobicContact CG-CE1 3.77Å; Q196-F408 HydrophobicContact CG-CZ 4.21Å
197	K	81.5	Confident	72.7	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151	179.3	-53.2	84.7	175	169.9	0	109.4	V192 L193 Q195 L238 K239 T240 F241 Y377 I389 F390	V192-K197 WeakPolarHBondContact O-CE 3.23Å; V192-K197 PolarHBondContact O-NZ 2.78Å; L193-K197 PolarHBondContact O-NZ 3.19Å; Q195-K197 WeakPolarHBondContact O-CD 3Å; Q195-K197 VanDerWaalsContact O-CE 3.3Å; Q195-K197 WeakPolarHBondContact O-CE 3.35Å; Q195-K197 PolarHBondContact O-NZ 2.82Å; K197-L238 PolarHBondContact NZ-O 3.27Å; K197-K239 WeakPolarHBondContact CD-O 3.18Å; K197-K239 PolarHBondContact N-O 2.87Å; K197-T240 HydrophobicContact CB-CG2 4.38Å; K197-F241 PolarHBondContact O-N 3.14Å; K197-Y377 WeakPolarHBondContact CD-OH 3.32Å; K197-I389 WeakPolarHBondContact CA-O 3.15Å; K197-I389 HydrophobicContact CB-CB 4.25Å; K197-I389 HydrophobicContact CB-CD1 4.12Å; K197-I389 HydrophobicContact CB-CG1 4.26Å; K197-I389 HydrophobicContact CG-CD1 3.88Å; K197-I389 HydrophobicContact CG-CG1 4.25Å; K197-F390 HydrophobicContact CG-CE1 3.86Å; K197-F390 HydrophobicContact CG-CZ 4.43Å
198	Y	81.6	Confident	75.6	Confident	29 Å²	29	37.8 Å²	37.8	11%	0.114	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.5	177.1	-55.8	-93.9	0	0	0	108.1	Q196 F241 I389 K392 P393 F408	Q196-Y198 HydrophobicContact CB-CE2 4.43Å; Q196-Y198 HydrophobicContact CG-CE1 4.45Å; Q196-Y198 HydrophobicContact CG-CE2 4.04Å; Y198-F241 CarbonylContact C-O 3.6Å; Y198-F241 WeakPolarHBondContact CA-O 3.44Å; Y198-F241 HydrophobicContact CD1-CB 4.21Å; Y198-F241 HydrophobicContact CD1-CD1 4.19Å; Y198-I389 PolarHBondContact N-O 2.79Å; Y198-I389 WeakPolarHBondContact O-CA 3.47Å; Y198-I389 WeakPolarHBondContact O-CB 3.05Å; Y198-I389 WeakPolarHBondContact O-CG2 3.02Å; Y198-K392 HydrophobicContact CD2-CB 4.01Å; Y198-K392 HydrophobicContact CD2-CG 4.37Å; Y198-K392 HydrophobicContact CE1-CG 4.13Å; Y198-K392 HydrophobicContact CE2-CB 3.65Å; Y198-K392 HydrophobicContact CE2-CD 4.32Å; Y198-K392 HydrophobicContact CE2-CG 3.77Å; Y198-P393 HydrophobicContact CD1-CG 4.48Å; Y198-F408 HydrophobicContact CE1-CD1 4.22Å; Y198-F408 AromaticContact CE1-CE1 3.83Å; Y198-F408 HydrophobicContact CE1-CE1 3.83Å
199	I	89.4	Confident	78.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	113	174.6	-55.7	-174.5	0	0	0	107.7	L201 T240 F241 I242 G243 D284 N285 L307 M334 L338 I389	I199-L201 PolarHBondContact O-N 3.47Å; I199-T240 HydrophobicContact CD1-CG2 3.72Å; I199-T240 HydrophobicContact CG1-CG2 4.07Å; I199-F241 PolarHBondContact N-O 2.01Å; I199-I242 HydrophobicContact CB-CD1 3.83Å; I199-I242 HydrophobicContact CD1-CD1 3.69Å; I199-I242 HydrophobicContact CG1-CD1 3.96Å; I199-G243 PolarHBondContact O-N 3.19Å; I199-D284 WeakPolarHBondContact CA-OD2 3.45Å; I199-D284 HydrophobicContact CG2-CB 4.17Å; I199-N285 HydrophobicContact CG2-CB 4.06Å; I199-L307 HydrophobicContact CD1-CD1 4.48Å; I199-L307 HydrophobicContact CD1-CD2 4.1Å; I199-L307 HydrophobicContact CG1-CD2 4.47Å; I199-M334 HydrophobicContact CG2-CE 4.33Å; I199-L338 HydrophobicContact CD1-CD1 4.1Å; I199-L338 HydrophobicContact CD1-CD2 3.84Å; I199-L338 HydrophobicContact CD1-CG 4.41Å; I199-I389 HydrophobicContact CG1-CG2 4.01Å
200	E	88.9	Confident	81.3	Confident	30 Å²	30	35.1 Å²	35.1	14%	0.14	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	98.8	169.4	-64.6	-179.2	167.1	0	0	109.3	V245 K282 H283 D284 N285	E200-V245 HydrophobicContact CB-CG1 3.68Å; E200-V245 HydrophobicContact CB-CG2 4.07Å; E200-V245 HydrophobicContact CG-CG1 3.83Å; E200-K282 IonicContact OE1-NZ 3.21Å; E200-K282 PolarHBondContact OE1-NZ 3.09Å; E200-K282 WeakPolarHBondContact OE2-CG 3.46Å; E200-K282 IonicContact OE2-NZ 3.23Å; E200-K282 PolarHBondContact OE2-NZ 3.22Å; E200-H283 HydrophobicContact CB-CB 4.43Å; E200-D284 HydrophobicContact CB-CB 4.41Å; E200-D284 WeakPolarHBondContact CB-OD2 3.5Å; E200-D284 PolarHBondContact N-OD2 3.09Å; E200-D284 PolarHBondContact O-N 3.25Å; E200-N285 PolarHBondContact O-N 2.75Å
201	L	93.4	Very high	83.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.9	-179.9	178.5	63.3	0	0	0	110.8	I199 L203 V228 I242 G243 L244 V245 N285 M334	I199-L201 PolarHBondContact O-N 3.47Å; L201-L203 HydrophobicContact CD1-CD2 4.15Å; L201-L203 HydrophobicContact CD2-CD1 4.31Å; L201-L203 HydrophobicContact CD2-CD2 4.07Å; L201-L203 HydrophobicContact CD2-CG 4.04Å; L201-L203 HydrophobicContact CG-CD2 4.2Å; L201-L203 HydrophobicContact CG-CG 4.15Å; L201-V228 HydrophobicContact CD2-CG2 4.44Å; L201-I242 HydrophobicContact CB-CG2 3.84Å; L201-I242 HydrophobicContact CD2-CG2 3.66Å; L201-I242 HydrophobicContact CG-CG2 4.38Å; L201-G243 PolarHBondContact N-O 2.96Å; L201-L244 HydrophobicContact CG-CD1 4.44Å; L201-L244 WeakPolarHBondContact O-CA 3.02Å; L201-V245 PolarHBondContact O-N 3.12Å; L201-N285 WeakPolarHBondContact CA-O 3.48Å; L201-M334 HydrophobicContact CD1-CE 4.22Å; L201-M334 HydrophobicContact CD1-SD 4.42Å; L201-M334 HydrophobicContact CD2-CE 4.27Å; L201-M334 HydrophobicContact CD2-SD 4.12Å
202	V	95.5	Very high	85.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.4	160.4	175.8	0	0	0	0	109.5	V204 V245 G246 L277 I281 H283 N285 A286 H287	V202-V204 HydrophobicContact CG1-CG2 4.17Å; V202-V245 HydrophobicContact CG2-CG2 3.65Å; V202-G246 WeakPolarHBondContact CA-O 3.03Å; V202-L277 HydrophobicContact CB-CD2 4.21Å; V202-L277 HydrophobicContact CG1-CD1 4.37Å; V202-L277 HydrophobicContact CG1-CD2 3.83Å; V202-I281 HydrophobicContact CG2-CG2 3.82Å; V202-H283 HydrophobicContact CG2-CB 3.6Å; V202-N285 PolarHBondContact N-O 2.72Å; V202-A286 HydrophobicContact CB-CB 4.27Å; V202-A286 VanDerWaalsContact O-CA 3.24Å; V202-A286 WeakPolarHBondContact O-CA 3.47Å; V202-H287 PolarHBondContact O-N 2.97Å
203	L	97.5	Very high	87.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135	169.1	-68.5	179.2	0	0	0	110.4	L201 I224 V228 L244 G246 L247 E248 H287 I289 L330	L201-L203 HydrophobicContact CD1-CD2 4.15Å; L201-L203 HydrophobicContact CD2-CD1 4.31Å; L201-L203 HydrophobicContact CD2-CD2 4.07Å; L201-L203 HydrophobicContact CD2-CG 4.04Å; L201-L203 HydrophobicContact CG-CD2 4.2Å; L201-L203 HydrophobicContact CG-CG 4.15Å; L203-I224 HydrophobicContact CB-CG2 4.42Å; L203-I224 HydrophobicContact CD1-CD1 4.4Å; L203-I224 HydrophobicContact CD1-CG2 3.73Å; L203-V228 HydrophobicContact CD1-CG2 3.44Å; L203-V228 VanDerWaalsContact CD1-CG2 3.44Å; L203-L244 HydrophobicContact CB-CD1 4.12Å; L203-L244 HydrophobicContact CD1-CD1 4.07Å; L203-L244 HydrophobicContact CG-CD1 3.88Å; L203-G246 PolarHBondContact N-O 3.43Å; L203-L247 HydrophobicContact CB-CD1 4.48Å; L203-L247 WeakPolarHBondContact O-CA 3.33Å; L203-E248 PolarHBondContact O-N 2.87Å; L203-H287 HydrophobicContact CD2-CB 3.74Å; L203-I289 HydrophobicContact CD2-CD1 4.22Å; L203-I289 HydrophobicContact CD2-CG1 4.35Å; L203-L330 HydrophobicContact CD1-CD2 4.1Å; L203-L330 HydrophobicContact CD2-CD1 4.25Å; L203-L330 HydrophobicContact CD2-CD2 3.98Å
204	V	98.2	Very high	89.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130	177.1	-174.8	0	0	0	0	107.8	V202 E248 W250 F269 W272 L277 H287 L288 I289	V202-V204 HydrophobicContact CG1-CG2 4.17Å; V204-E248 CarbonylContact C-O 3.59Å; V204-E248 VanDerWaalsContact CA-O 3.27Å; V204-E248 WeakPolarHBondContact CA-O 3.37Å; V204-E248 HydrophobicContact CG1-CB 4.4Å; V204-E248 HydrophobicContact CG2-CB 4.29Å; V204-W250 HydrophobicContact CG1-CD2 4.13Å; V204-W250 VanDerWaalsContact CG1-CE2 3.46Å; V204-W250 HydrophobicContact CG1-CH2 4.3Å; V204-W250 HydrophobicContact CG1-CZ2 3.59Å; V204-F269 HydrophobicContact CB-CE2 3.81Å; V204-F269 HydrophobicContact CB-CZ 4.06Å; V204-F269 HydrophobicContact CG1-CE2 4.17Å; V204-F269 HydrophobicContact CG2-CE2 3.76Å; V204-F269 HydrophobicContact CG2-CZ 3.81Å; V204-W272 HydrophobicContact CG1-CH2 4.39Å; V204-W272 HydrophobicContact CG2-CH2 4.17Å; V204-W272 HydrophobicContact CG2-CZ3 3.99Å; V204-L277 HydrophobicContact CG2-CD2 4.45Å; V204-H287 PolarHBondContact N-O 2.76Å; V204-L288 HydrophobicContact CB-CD1 4.1Å; V204-L288 HydrophobicContact CG1-CD1 3.93Å; V204-L288 CarbonylContact O-C 3.58Å; V204-L288 WeakPolarHBondContact O-CA 3.4Å; V204-I289 PolarHBondContact O-N 3.47Å
205	A	98.1	Very high	91.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.4	179.3	0	0	0	0	0	109.7	L220 E248 V249 W250	A205-L220 HydrophobicContact CB-CD1 4.2Å; A205-L220 HydrophobicContact CB-CD2 3.81Å; A205-L220 HydrophobicContact CB-CG 4.43Å; A205-E248 PolarHBondContact N-O 3.13Å; A205-V249 HydrophobicContact CB-CG2 4.5Å; A205-W250 PolarHBondContact O-N 3.32Å
206	D	97.9	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.			trans	-70.6	167.2	179.9	81.4	0	0	0	0	112.2	R208 A209 Y210 W250 D254 V258 L288 I289 S290 G291	D206-R208 PolarHBondContact O-N 3.39Å; D206-R208 VanDerWaalsContact O-N 3.15Å; D206-R208 WeakPolarHBondContact OD1-CA 3.07Å; D206-R208 WeakPolarHBondContact OD1-CB 3.4Å; D206-R208 PolarHBondContact OD1-N 2.84Å; D206-R208 VanDerWaalsContact OD1-N 3.07Å; D206-A209 PolarHBondContact O-N 3.44Å; D206-A209 WeakPolarHBondContact OD1-CB 3.33Å; D206-A209 PolarHBondContact OD1-N 2.99Å; D206-Y210 PolarHBondContact O-N 2.89Å; D206-W250 HydrophobicContact CB-CE3 3.97Å; D206-W250 HydrophobicContact CB-CZ3 4.34Å; D206-D254 WeakPolarHBondContact CB-OD1 3.35Å; D206-V258 HydrophobicContact CB-CG2 4.42Å; D206-L288 HydrophobicContact CB-CD1 4.37Å; D206-I289 PolarHBondContact N-O 2.97Å; D206-S290 VanDerWaalsContact OD2-CA 3.28Å; D206-S290 WeakPolarHBondContact OD2-CA 3.07Å; D206-S290 VanDerWaalsContact OD2-CB 3.28Å; D206-S290 WeakPolarHBondContact OD2-CB 3.42Å; D206-S290 PolarHBondContact OD2-OG 2.95Å; D206-G291 PolarHBondContact OD1-N 2.82Å; D206-G291 PolarHBondContact OD2-N 2.86Å
207	N	97.2	Very high	93.2	Very high	32 Å²	32	37.6 Å²	37.6	17%	0.171	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-28.1	-179.7	-165.8	-98.4	0	0	0	111.8	A211 W250 S251 N252 D254	N207-A211 VanDerWaalsContact O-CB 3.28Å; N207-A211 WeakPolarHBondContact O-CB 3.46Å; N207-A211 PolarHBondContact O-N 2.72Å; N207-W250 WeakPolarHBondContact CA-O 3Å; N207-W250 WeakPolarHBondContact CB-O 2.95Å; N207-W250 PolarHBondContact ND2-O 2.98Å; N207-S251 PolarHBondContact ND2-O 2.96Å; N207-N252 PolarHBondContact ND2-O 2.94Å; N207-D254 VanDerWaalsContact CB-OD1 3.23Å; N207-D254 WeakPolarHBondContact CB-OD1 3.08Å; N207-D254 PolarHBondContact N-OD1 3.22Å
208	R	96.1	Very high	93.3	Very high	141 Å²	141	41.6 Å²	41.6	53%	0.532	20%	0.204	S	C	.	.	H	α-helix	trans	-78.9	-38.1	-177.2	-154.8	167.8	-179.7	142.8	2.4	112	D206 A211 K212 G291	D206-R208 PolarHBondContact O-N 3.39Å; D206-R208 VanDerWaalsContact O-N 3.15Å; D206-R208 WeakPolarHBondContact OD1-CA 3.07Å; D206-R208 WeakPolarHBondContact OD1-CB 3.4Å; D206-R208 PolarHBondContact OD1-N 2.84Å; D206-R208 VanDerWaalsContact OD1-N 3.07Å; R208-A211 PolarHBondContact O-N 2.81Å; R208-K212 VanDerWaalsContact O-CB 3.32Å; R208-K212 WeakPolarHBondContact O-CB 3.18Å; R208-K212 PolarHBondContact O-N 3.23Å; R208-G291 WeakPolarHBondContact CD-O 3.43Å; R208-G291 WeakPolarHBondContact CG-O 3.02Å
209	A	96.2	Very high	93.5	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-41.9	169.5	0	0	0	0	0	110.3	D206 K212 M213	D206-A209 PolarHBondContact O-N 3.44Å; D206-A209 WeakPolarHBondContact OD1-CB 3.33Å; D206-A209 PolarHBondContact OD1-N 2.99Å; A209-K212 WeakPolarHBondContact O-CB 3.39Å; A209-K212 PolarHBondContact O-N 3.18Å; A209-M213 WeakPolarHBondContact O-CG 3.18Å; A209-M213 PolarHBondContact O-N 3.29Å; A209-M213 VanDerWaalsContact O-N 3.08Å
210	Y	96.1	Very high	93.5	Very high	25 Å²	25	45.3 Å²	45.3	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-45.1	172.1	-178.5	-121	0	0	0	112.4	D206 K212 M213 K215 Q217 L220 V249 S251	D206-Y210 PolarHBondContact O-N 2.89Å; Y210-K212 PolarHBondContact O-N 2.89Å; Y210-M213 CarbonylContact O-C 3.39Å; Y210-M213 PolarHBondContact O-N 3.3Å; Y210-K215 HydrophobicContact CD1-CB 4.17Å; Y210-K215 HydrophobicContact CD1-CG 4.06Å; Y210-K215 HydrophobicContact CE1-CB 3.68Å; Y210-K215 HydrophobicContact CE1-CD 4.45Å; Y210-K215 HydrophobicContact CE1-CG 3.96Å; Y210-K215 VanDerWaalsContact CE2-C 3.49Å; Y210-K215 WeakPolarHBondContact O-CA 3.45Å; Y210-K215 PolarHBondContact O-N 2.88Å; Y210-K215 PolarHBondContact OH-O 3.48Å; Y210-K215 VanDerWaalsContact OH-O 3.07Å; Y210-Q217 HydrophobicContact CE2-CB 4.48Å; Y210-Q217 HydrophobicContact CE2-CG 3.66Å; Y210-L220 HydrophobicContact CD2-CD2 3.91Å; Y210-V249 HydrophobicContact CD2-CG1 3.69Å; Y210-V249 HydrophobicContact CE2-CG1 4.28Å; Y210-V249 HydrophobicContact CG-CG1 3.9Å; Y210-S251 VanDerWaalsContact CE1-CB 3.44Å
211	A	95.8	Very high	93.3	Very high	42 Å²	42	46.4 Å²	46.4	35%	0.347	22%	0.223	S	C	.	.	H	α-helix	trans	-63.1	-39	174.9	0	0	0	0	0	112.5	N207 R208 M213 N214	N207-A211 VanDerWaalsContact O-CB 3.28Å; N207-A211 WeakPolarHBondContact O-CB 3.46Å; N207-A211 PolarHBondContact O-N 2.72Å; R208-A211 PolarHBondContact O-N 2.81Å; A211-M213 PolarHBondContact O-N 3.44Å; A211-N214 WeakPolarHBondContact O-CA 3.41Å; A211-N214 PolarHBondContact O-N 3.08Å
212	K	94.4	Very high	92.7	Very high	92 Å²	92	47.8 Å²	47.8	40%	0.4	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-29.5	174.4	-167.1	-175.2	178.4	-161.4	0	112.4	R208 A209 Y210 N214 D318	R208-K212 VanDerWaalsContact O-CB 3.32Å; R208-K212 WeakPolarHBondContact O-CB 3.18Å; R208-K212 PolarHBondContact O-N 3.23Å; A209-K212 WeakPolarHBondContact O-CB 3.39Å; A209-K212 PolarHBondContact O-N 3.18Å; Y210-K212 PolarHBondContact O-N 2.89Å; K212-N214 PolarHBondContact O-N 2.63Å; K212-D318 WeakPolarHBondContact CD-OD2 3.16Å; K212-D318 PolarHBondContact NZ-O 2.87Å; K212-D318 IonicContact NZ-OD2 3.07Å; K212-D318 PolarHBondContact NZ-OD2 2.84Å
213	M	95	Very high	92.4	Very high	26 Å²	26	49 Å²	49	13%	0.128	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	18.5	169.9	-62	-59	113.9	0	0	113.4	A209 Y210 A211 K215 D216 K219 L220 R223	A209-M213 WeakPolarHBondContact O-CG 3.18Å; A209-M213 PolarHBondContact O-N 3.29Å; A209-M213 VanDerWaalsContact O-N 3.08Å; Y210-M213 CarbonylContact O-C 3.39Å; Y210-M213 PolarHBondContact O-N 3.3Å; A211-M213 PolarHBondContact O-N 3.44Å; M213-K215 VanDerWaalsContact C-N 3.27Å; M213-K215 PolarHBondContact O-N 2.78Å; M213-D216 WeakPolarHBondContact O-CB 3.4Å; M213-D216 PolarHBondContact O-N 2.89Å; M213-K219 HydrophobicContact CB-CB 4.44Å; M213-L220 HydrophobicContact CB-CB 4.13Å; M213-L220 HydrophobicContact CG-CB 3.96Å; M213-L220 HydrophobicContact CG-CD1 3.86Å; M213-L220 HydrophobicContact CG-CG 4.5Å; M213-R223 HydrophobicContact SD-CB 4.37Å; M213-R223 VanDerWaalsContact SD-CD 3.56Å
214	N	94.9	Very high	91.9	Very high	136 Å²	136	49 Å²	49	73%	0.727	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	28.5	-176.4	-54.9	-87.8	0	0	0	114.1	A211 K212 D216	A211-N214 WeakPolarHBondContact O-CA 3.41Å; A211-N214 PolarHBondContact O-N 3.08Å; K212-N214 PolarHBondContact O-N 2.63Å; N214-D216 PolarHBondContact O-N 3.08Å
215	K	93.1	Very high	91.2	Very high	128 Å²	128	49.1 Å²	49.1	56%	0.557	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	34.1	-173.5	-56.9	-171.6	176.3	-166.9	0	113.2	Y210 M213	Y210-K215 HydrophobicContact CD1-CB 4.17Å; Y210-K215 HydrophobicContact CD1-CG 4.06Å; Y210-K215 HydrophobicContact CE1-CB 3.68Å; Y210-K215 HydrophobicContact CE1-CD 4.45Å; Y210-K215 HydrophobicContact CE1-CG 3.96Å; Y210-K215 VanDerWaalsContact CE2-C 3.49Å; Y210-K215 WeakPolarHBondContact O-CA 3.45Å; Y210-K215 PolarHBondContact O-N 2.88Å; Y210-K215 PolarHBondContact OH-O 3.48Å; Y210-K215 VanDerWaalsContact OH-O 3.07Å; M213-K215 VanDerWaalsContact C-N 3.27Å; M213-K215 PolarHBondContact O-N 2.78Å
216	D	91.8	Very high	90.3	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	24%	0.241	S	C	.	.			trans	-105.3	110	177.4	-174.5	-37.2	0	0	0	109.9	M213 N214 T218 K219 L220	M213-D216 WeakPolarHBondContact O-CB 3.4Å; M213-D216 PolarHBondContact O-N 2.89Å; N214-D216 PolarHBondContact O-N 3.08Å; D216-T218 PolarHBondContact O-N 2.04Å; D216-T218 WeakPolarHBondContact OD1-CA 3Å; D216-T218 WeakPolarHBondContact OD1-CB 3.29Å; D216-T218 PolarHBondContact OD1-N 3.44Å; D216-K219 HydrophobicContact CB-CB 4.05Å; D216-K219 HydrophobicContact CB-CD 4.05Å; D216-K219 HydrophobicContact CB-CG 4.05Å; D216-K219 PolarHBondContact O-N 2.75Å; D216-K219 PolarHBondContact OD1-N 2.99Å; D216-K219 IonicContact OD2-NZ 3.89Å; D216-K219 PolarHBondContact OD2-NZ 3.05Å; D216-L220 PolarHBondContact O-N 2.83Å; D216-L220 VanDerWaalsContact O-N 3.08Å
217	Q	85.1	Confident	89.8	Confident	57 Å²	57	50.3 Å²	50.3	27%	0.266	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-31.6	-179.6	-66.8	-176.6	-8.2	0	0	112.5	Y86 Y210 R221	Y86-Q217 VanDerWaalsContact CD2-NE2 3.3Å; Y210-Q217 HydrophobicContact CE2-CB 4.48Å; Y210-Q217 HydrophobicContact CE2-CG 3.66Å; Q217-R221 VanDerWaalsContact O-CB 3.26Å; Q217-R221 WeakPolarHBondContact O-CB 3.39Å; Q217-R221 PolarHBondContact O-N 3.19Å
218	T	83.3	Confident	89.3	Confident	84 Å²	84	48.8 Å²	48.8	52%	0.515	23%	0.232	S	C	.	.	H	α-helix	trans	-76.5	-40.1	-178.1	-63	0	0	0	0	111.3	D216 R221 Q222	D216-T218 PolarHBondContact O-N 2.04Å; D216-T218 WeakPolarHBondContact OD1-CA 3Å; D216-T218 WeakPolarHBondContact OD1-CB 3.29Å; D216-T218 PolarHBondContact OD1-N 3.44Å; T218-R221 PolarHBondContact O-N 3.41Å; T218-R221 PolarHBondContact OG1-NH1 2.94Å; T218-R221 VanDerWaalsContact OG1-NH1 3.09Å; T218-Q222 WeakPolarHBondContact O-CB 3.06Å; T218-Q222 PolarHBondContact O-N 3.48Å
219	K	86.3	Confident	88.5	Confident	107 Å²	107	42.2 Å²	42.2	47%	0.465	21%	0.208	S	C	.	.	H	α-helix	trans	-64.1	-40.3	172.2	-67.3	-176.6	-177.6	95.5	0	112	M213 D216 R223	M213-K219 HydrophobicContact CB-CB 4.44Å; D216-K219 HydrophobicContact CB-CB 4.05Å; D216-K219 HydrophobicContact CB-CD 4.05Å; D216-K219 HydrophobicContact CB-CG 4.05Å; D216-K219 PolarHBondContact O-N 2.75Å; D216-K219 PolarHBondContact OD1-N 2.99Å; D216-K219 IonicContact OD2-NZ 3.89Å; D216-K219 PolarHBondContact OD2-NZ 3.05Å; K219-R223 WeakPolarHBondContact O-CB 3.01Å; K219-R223 PolarHBondContact O-N 2.91Å
220	L	89.2	Confident	87.8	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-46.8	174.6	-178.5	61.4	0	0	0	111.8	A205 Y210 M213 D216 Q222 R223 I224 V249	A205-L220 HydrophobicContact CB-CD1 4.2Å; A205-L220 HydrophobicContact CB-CD2 3.81Å; A205-L220 HydrophobicContact CB-CG 4.43Å; Y210-L220 HydrophobicContact CD2-CD2 3.91Å; M213-L220 HydrophobicContact CB-CB 4.13Å; M213-L220 HydrophobicContact CG-CB 3.96Å; M213-L220 HydrophobicContact CG-CD1 3.86Å; M213-L220 HydrophobicContact CG-CG 4.5Å; D216-L220 PolarHBondContact O-N 2.83Å; D216-L220 VanDerWaalsContact O-N 3.08Å; L220-Q222 PolarHBondContact O-N 3.09Å; L220-R223 WeakPolarHBondContact O-CB 3.35Å; L220-R223 PolarHBondContact O-N 2.03Å; L220-I224 HydrophobicContact CD1-CG1 4.26Å; L220-I224 HydrophobicContact CG-CG1 4.49Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-I224 PolarHBondContact O-N 3.28Å; L220-V249 HydrophobicContact CD2-CB 4.25Å; L220-V249 HydrophobicContact CD2-CG1 3.51Å; L220-V249 HydrophobicContact CD2-CG2 3.68Å
221	R	84.6	Confident	87.5	Confident	53 Å²	53	41 Å²	41	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-54.2	-51	174.4	-177.3	-167.3	-60.7	109.6	6	111.6	E84 Q217 T218 R223 I224 F225	E84-R221 VanDerWaalsContact CD-NE 3.26Å; E84-R221 VanDerWaalsContact OE1-CD 3.27Å; E84-R221 WeakPolarHBondContact OE1-CD 3.5Å; E84-R221 WeakPolarHBondContact OE1-CG 2.99Å; E84-R221 IonicContact OE1-CZ 3.44Å; E84-R221 IonicContact OE1-NE 2.89Å; E84-R221 PolarHBondContact OE1-NE 3.4Å; E84-R221 IonicContact OE2-CZ 3.75Å; E84-R221 VanDerWaalsContact OE2-CZ 3.24Å; E84-R221 IonicContact OE2-NE 3.56Å; E84-R221 PolarHBondContact OE2-NE 3.46Å; E84-R221 IonicContact OE2-NH2 3.25Å; E84-R221 PolarHBondContact OE2-NH2 3.22Å; Q217-R221 VanDerWaalsContact O-CB 3.26Å; Q217-R221 WeakPolarHBondContact O-CB 3.39Å; Q217-R221 PolarHBondContact O-N 3.19Å; T218-R221 PolarHBondContact O-N 3.41Å; T218-R221 PolarHBondContact OG1-NH1 2.94Å; T218-R221 VanDerWaalsContact OG1-NH1 3.09Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.03Å; R221-I224 PolarHBondContact O-N 3.06Å; R221-F225 HydrophobicContact CG-CD1 4.45Å; R221-F225 HydrophobicContact CG-CD2 4.07Å; R221-F225 HydrophobicContact CG-CE1 3.9Å; R221-F225 HydrophobicContact CG-CE2 3.5Å; R221-F225 HydrophobicContact CG-CZ 3.4Å; R221-F225 VanDerWaalsContact CG-CZ 3.4Å; R221-F225 WeakPolarHBondContact O-CD1 3.4Å; R221-F225 VanDerWaalsContact O-CG 3.3Å; R221-F225 WeakPolarHBondContact O-CG 3.4Å; R221-F225 PolarHBondContact O-N 3.03Å
222	Q	81.1	Confident	86.8	Confident	28 Å²	28	39.2 Å²	39.2	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-46.3	177.1	177.7	-179.6	-11.5	0	0	111.6	T218 L220 I224 F225 E226	T218-Q222 WeakPolarHBondContact O-CB 3.06Å; T218-Q222 PolarHBondContact O-N 3.48Å; L220-Q222 PolarHBondContact O-N 3.09Å; Q222-I224 VanDerWaalsContact C-N 3.35Å; Q222-I224 PolarHBondContact O-N 2.93Å; Q222-F225 PolarHBondContact O-N 2.81Å; Q222-E226 HydrophobicContact CG-CG 4.43Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.26Å; Q222-E226 PolarHBondContact NE2-OE1 3.14Å; Q222-E226 WeakPolarHBondContact O-CG 3.42Å; Q222-E226 PolarHBondContact O-N 2.77Å
223	R	87.5	Confident	86.2	Confident	25 Å²	25	36.2 Å²	36.2	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-44.3	177.9	-180	175.2	-173	76.9	7.3	112.4	M213 K219 L220 R221 F225 E226 I227 D318 N320 T321	M213-R223 HydrophobicContact SD-CB 4.37Å; M213-R223 VanDerWaalsContact SD-CD 3.56Å; K219-R223 WeakPolarHBondContact O-CB 3.01Å; K219-R223 PolarHBondContact O-N 2.91Å; L220-R223 WeakPolarHBondContact O-CB 3.35Å; L220-R223 PolarHBondContact O-N 2.03Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.03Å; R223-F225 VanDerWaalsContact C-N 3.34Å; R223-E226 PolarHBondContact O-N 2.81Å; R223-I227 HydrophobicContact CG-CD1 4.13Å; R223-I227 WeakPolarHBondContact O-CG1 3.39Å; R223-I227 PolarHBondContact O-N 3.47Å; R223-D318 IonicContact CZ-OD1 3.73Å; R223-D318 IonicContact CZ-OD2 2.75Å; R223-D318 IonicContact NE-OD1 2.78Å; R223-D318 PolarHBondContact NE-OD1 3.24Å; R223-D318 IonicContact NE-OD2 2.74Å; R223-D318 PolarHBondContact NE-OD2 3.35Å; R223-D318 VanDerWaalsContact NH2-CG 3.3Å; R223-D318 IonicContact NH2-OD1 3.35Å; R223-D318 PolarHBondContact NH2-OD1 2.83Å; R223-D318 IonicContact NH2-OD2 2.78Å; R223-D318 PolarHBondContact NH2-OD2 3.1Å; R223-N320 PolarHBondContact NH2-O 2.71Å; R223-T321 PolarHBondContact NH1-O 2.92Å
224	I	88.4	Confident	85.7	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-40.8	176.7	-68.1	-67.8	0	0	0	110.8	L203 L220 R221 Q222 I227 V228 L244 L247 I289	L203-I224 HydrophobicContact CB-CG2 4.42Å; L203-I224 HydrophobicContact CD1-CD1 4.4Å; L203-I224 HydrophobicContact CD1-CG2 3.73Å; L220-I224 HydrophobicContact CD1-CG1 4.26Å; L220-I224 HydrophobicContact CG-CG1 4.49Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-I224 PolarHBondContact O-N 3.28Å; R221-I224 PolarHBondContact O-N 3.06Å; Q222-I224 VanDerWaalsContact C-N 3.35Å; Q222-I224 PolarHBondContact O-N 2.93Å; I224-I227 WeakPolarHBondContact O-CB 3.49Å; I224-I227 PolarHBondContact O-N 3.03Å; I224-V228 WeakPolarHBondContact O-CG2 3.03Å; I224-V228 PolarHBondContact O-N 3.26Å; I224-L244 HydrophobicContact CG2-CD2 4.14Å; I224-L247 HydrophobicContact CB-CD2 4.36Å; I224-L247 HydrophobicContact CG1-CD1 4.09Å; I224-L247 HydrophobicContact CG1-CD2 4.38Å; I224-L247 HydrophobicContact CG2-CD1 4.26Å; I224-L247 HydrophobicContact CG2-CD2 4.3Å; I224-I289 HydrophobicContact CD1-CB 4.39Å; I224-I289 HydrophobicContact CD1-CG1 3.89Å; I224-I289 HydrophobicContact CD1-CG2 4.49Å
225	F	83.8	Confident	85.4	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.013	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-38.6	176.8	-66.1	-3.3	0	0	0	112.1	L77 L78 Y82 V101 Y105 R221 Q222 R223 I227 V228 N229 L244	L77-F225 HydrophobicContact CD2-CB 4.22Å; L78-F225 HydrophobicContact CD1-CE2 4.04Å; L78-F225 HydrophobicContact CD1-CZ 3.89Å; L78-F225 HydrophobicContact CD2-CD1 4.22Å; L78-F225 HydrophobicContact CD2-CE1 3.65Å; L78-F225 HydrophobicContact CD2-CZ 3.82Å; Y82-F225 HydrophobicContact CE1-CE1 4.44Å; Y82-F225 HydrophobicContact CE1-CZ 4.03Å; Y82-F225 HydrophobicContact CE2-CE1 4.4Å; Y82-F225 AromaticContact CZ-CE1 3.83Å; Y82-F225 AromaticContact CZ-CZ 3.86Å; Y82-F225 VanDerWaalsContact OH-CE1 3.3Å; Y82-F225 WeakPolarHBondContact OH-CE1 3.47Å; Y82-F225 WeakPolarHBondContact OH-CZ 3.26Å; V101-F225 HydrophobicContact CG1-CE2 3.89Å; Y105-F225 HydrophobicContact CD2-CB 4.45Å; Y105-F225 HydrophobicContact CE1-CB 3.86Å; Y105-F225 HydrophobicContact CE2-CB 3.81Å; Y105-F225 AromaticContact CE2-CD2 3.72Å; Y105-F225 HydrophobicContact CE2-CD2 3.72Å; Y105-F225 HydrophobicContact CE2-CG 4.25Å; Y105-F225 VanDerWaalsContact CZ-CB 3.47Å; Y105-F225 AromaticContact CZ-CD2 3.96Å; R221-F225 HydrophobicContact CG-CD1 4.45Å; R221-F225 HydrophobicContact CG-CD2 4.07Å; R221-F225 HydrophobicContact CG-CE1 3.9Å; R221-F225 HydrophobicContact CG-CE2 3.5Å; R221-F225 HydrophobicContact CG-CZ 3.4Å; R221-F225 VanDerWaalsContact CG-CZ 3.4Å; R221-F225 WeakPolarHBondContact O-CD1 3.4Å; R221-F225 VanDerWaalsContact O-CG 3.3Å; R221-F225 WeakPolarHBondContact O-CG 3.4Å; R221-F225 PolarHBondContact O-N 3.03Å; Q222-F225 PolarHBondContact O-N 2.81Å; R223-F225 VanDerWaalsContact C-N 3.34Å; F225-I227 VanDerWaalsContact C-N 3.32Å; F225-I227 PolarHBondContact O-N 3.16Å; F225-V228 PolarHBondContact O-N 3.46Å; F225-N229 WeakPolarHBondContact O-CB 3.32Å; F225-N229 PolarHBondContact O-N 2.79Å; F225-L244 HydrophobicContact CD1-CD2 4.02Å; F225-L244 HydrophobicContact CE1-CD2 3.8Å
226	E	78.6	Confident	84.7	Confident	25 Å²	25	27.6 Å²	27.6	12%	0.117	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-36.5	171.7	-70.6	178.3	-167.8	0	0	112.1	Y105 R127 Q222 R223 F230 A323	Y105-E226 HydrophobicContact CE1-CG 3.88Å; R127-E226 WeakPolarHBondContact CD-OE1 3.13Å; Q222-E226 HydrophobicContact CG-CG 4.43Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.26Å; Q222-E226 PolarHBondContact NE2-OE1 3.14Å; Q222-E226 WeakPolarHBondContact O-CG 3.42Å; Q222-E226 PolarHBondContact O-N 2.77Å; R223-E226 PolarHBondContact O-N 2.81Å; E226-F230 PolarHBondContact O-N 2.71Å; E226-A323 HydrophobicContact CB-CB 3.58Å
227	I	88.2	Confident	84.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-56.6	172.6	-78.2	164.6	0	0	0	111.1	R223 I224 F225 N229 F230 V231 A323 V326 L330	R223-I227 HydrophobicContact CG-CD1 4.13Å; R223-I227 WeakPolarHBondContact O-CG1 3.39Å; R223-I227 PolarHBondContact O-N 3.47Å; I224-I227 WeakPolarHBondContact O-CB 3.49Å; I224-I227 PolarHBondContact O-N 3.03Å; F225-I227 VanDerWaalsContact C-N 3.32Å; F225-I227 PolarHBondContact O-N 3.16Å; I227-N229 VanDerWaalsContact C-N 3.31Å; I227-N229 PolarHBondContact O-N 2.61Å; I227-F230 WeakPolarHBondContact O-CB 3.21Å; I227-F230 PolarHBondContact O-N 2.75Å; I227-F230 VanDerWaalsContact O-N 3.08Å; I227-V231 WeakPolarHBondContact O-CG2 2.95Å; I227-V231 PolarHBondContact O-N 2.74Å; I227-V231 VanDerWaalsContact O-N 3.11Å; I227-A323 HydrophobicContact CG1-CB 4.12Å; I227-A323 WeakPolarHBondContact CG1-O 3.25Å; I227-V326 HydrophobicContact CD1-CB 4.07Å; I227-V326 HydrophobicContact CD1-CG1 3.82Å; I227-V326 HydrophobicContact CG1-CB 4.28Å; I227-V326 HydrophobicContact CG1-CG1 4.42Å; I227-L330 HydrophobicContact CG2-CD2 3.58Å
228	V	85.5	Confident	84	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.1	-31.9	-176.8	-177.8	0	0	0	0	111.6	L77 L201 L203 I224 F225 F230 V231 N232 L244	L77-V228 HydrophobicContact CD1-CB 3.9Å; L77-V228 HydrophobicContact CD1-CG1 3.68Å; L201-V228 HydrophobicContact CD2-CG2 4.44Å; L203-V228 HydrophobicContact CD1-CG2 3.44Å; L203-V228 VanDerWaalsContact CD1-CG2 3.44Å; I224-V228 WeakPolarHBondContact O-CG2 3.03Å; I224-V228 PolarHBondContact O-N 3.26Å; F225-V228 PolarHBondContact O-N 3.46Å; V228-F230 PolarHBondContact O-N 3.41Å; V228-V231 PolarHBondContact O-N 3.41Å; V228-N232 PolarHBondContact O-N 2.8Å; V228-L244 HydrophobicContact CG2-CD1 4.38Å; V228-L244 HydrophobicContact CG2-CD2 4.5Å
229	N	79.1	Confident	83.6	Confident	3 Å²	3	29 Å²	29	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-31.1	173	-170.4	49.4	0	0	0	112.4	N74 L77 Y105 Y106 H107 S119 F225 I227	N74-N229 WeakPolarHBondContact CB-OD1 3.28Å; N74-N229 PolarHBondContact ND2-OD1 2.9Å; L77-N229 HydrophobicContact CD1-CB 4.34Å; Y105-N229 HydrophobicContact CD1-CB 4.48Å; Y106-N229 PolarHBondContact O-ND2 3.24Å; H107-N229 PolarHBondContact CD2-OD1 2.91Å; H107-N229 PolarHBondContact NE2-O 2.96Å; H107-N229 PolarHBondContact NE2-OD1 2.68Å; S119-N229 PolarHBondContact OG-ND2 3.4Å; F225-N229 WeakPolarHBondContact O-CB 3.32Å; F225-N229 PolarHBondContact O-N 2.79Å; I227-N229 VanDerWaalsContact C-N 3.31Å; I227-N229 PolarHBondContact O-N 2.61Å
230	F	82.9	Confident	83.5	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-73.8	-44.5	170.9	-179.7	-84.7	0	0	0	111.9	E226 I227 V228 N232 M233 A234 I324 A328 I365 P366 R367	E226-F230 PolarHBondContact O-N 2.71Å; I227-F230 WeakPolarHBondContact O-CB 3.21Å; I227-F230 PolarHBondContact O-N 2.75Å; I227-F230 VanDerWaalsContact O-N 3.08Å; V228-F230 PolarHBondContact O-N 3.41Å; F230-N232 VanDerWaalsContact C-N 3.34Å; F230-N232 PolarHBondContact O-N 3.01Å; F230-M233 HydrophobicContact CD2-CE 3.92Å; F230-M233 HydrophobicContact CE1-CE 4.47Å; F230-M233 HydrophobicContact CE2-CE 3.82Å; F230-M233 HydrophobicContact CG-CE 4.33Å; F230-M233 HydrophobicContact CZ-CE 4.13Å; F230-M233 WeakPolarHBondContact O-CB 3.33Å; F230-M233 PolarHBondContact O-N 3.42Å; F230-M233 VanDerWaalsContact O-N 3.14Å; F230-A234 PolarHBondContact O-N 3.13Å; F230-A234 VanDerWaalsContact O-N 3.13Å; F230-I324 HydrophobicContact CB-CG2 4.35Å; F230-I324 HydrophobicContact CD2-CB 3.71Å; F230-I324 HydrophobicContact CD2-CG2 3.73Å; F230-I324 HydrophobicContact CE2-CB 4.07Å; F230-I324 HydrophobicContact CE2-CG2 4.47Å; F230-I324 HydrophobicContact CG-CB 4.33Å; F230-I324 HydrophobicContact CG-CG2 4.36Å; F230-A328 HydrophobicContact CE1-CB 3.77Å; F230-A328 HydrophobicContact CZ-CB 4.07Å; F230-I365 HydrophobicContact CE2-CG2 4.29Å; F230-I365 HydrophobicContact CZ-CG2 3.94Å; F230-P366 WeakPolarHBondContact CZ-O 3Å; F230-R367 HydrophobicContact CE2-CG 3.76Å; F230-R367 HydrophobicContact CZ-CG 3.52Å
231	V	89.7	Confident	83.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.4	-44	-179.7	175.5	0	0	0	0	111.4	I227 V228 M233 A234 Y235 I242 G327 L330 A331 M334	I227-V231 WeakPolarHBondContact O-CG2 2.95Å; I227-V231 PolarHBondContact O-N 2.74Å; I227-V231 VanDerWaalsContact O-N 3.11Å; V228-V231 PolarHBondContact O-N 3.41Å; V231-M233 VanDerWaalsContact C-N 3.34Å; V231-M233 PolarHBondContact O-N 2.92Å; V231-A234 WeakPolarHBondContact O-CB 3.44Å; V231-A234 PolarHBondContact O-N 3.33Å; V231-A234 VanDerWaalsContact O-N 3.08Å; V231-Y235 HydrophobicContact CG1-CD2 3.62Å; V231-Y235 HydrophobicContact CG1-CE2 3.77Å; V231-Y235 WeakPolarHBondContact O-CD2 3.07Å; V231-Y235 PolarHBondContact O-N 2.75Å; V231-I242 HydrophobicContact CG1-CG1 4.01Å; V231-G327 WeakPolarHBondContact CG2-O 3.36Å; V231-L330 HydrophobicContact CG2-CB 4.14Å; V231-L330 HydrophobicContact CG2-CD2 3.94Å; V231-L330 HydrophobicContact CG2-CG 4.03Å; V231-A331 HydrophobicContact CG2-CB 4.39Å; V231-M334 HydrophobicContact CG1-SD 4.04Å
232	N	81.1	Confident	83.2	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-38.1	176.5	-90.4	-47.9	0	0	0	113.4	V228 F230 A234 Y235 K236 F241 I242	V228-N232 PolarHBondContact O-N 2.8Å; F230-N232 VanDerWaalsContact C-N 3.34Å; F230-N232 PolarHBondContact O-N 3.01Å; N232-A234 VanDerWaalsContact C-N 3.28Å; N232-A234 PolarHBondContact O-N 3.43Å; N232-Y235 PolarHBondContact O-N 2.81Å; N232-K236 WeakPolarHBondContact O-CB 3.49Å; N232-K236 PolarHBondContact O-N 3.35Å; N232-F241 HydrophobicContact CB-CE2 4.42Å; N232-F241 VanDerWaalsContact CG-CE2 3.43Å; N232-F241 WeakPolarHBondContact OD1-CD2 3.36Å; N232-F241 WeakPolarHBondContact OD1-CE2 3.37Å; N232-I242 PolarHBondContact ND2-O 3.43Å; N232-I242 WeakPolarHBondContact OD1-CA 3.41Å; N232-I242 WeakPolarHBondContact OD1-CB 3.34Å; N232-I242 PolarHBondContact OD1-N 3.06Å; N232-I242 PolarHBondContact OD1-O 2.84Å
233	M	81.2	Confident	83.3	Confident	30 Å²	30	21.1 Å²	21.1	15%	0.148	11%	0.106	C	C	.	.	H	α-helix	trans	-64.1	-33.9	174.6	178.1	-77.5	-42.2	0	0	111.8	F230 V231 R367	F230-M233 HydrophobicContact CD2-CE 3.92Å; F230-M233 HydrophobicContact CE1-CE 4.47Å; F230-M233 HydrophobicContact CE2-CE 3.82Å; F230-M233 HydrophobicContact CG-CE 4.33Å; F230-M233 HydrophobicContact CZ-CE 4.13Å; F230-M233 WeakPolarHBondContact O-CB 3.33Å; F230-M233 PolarHBondContact O-N 3.42Å; F230-M233 VanDerWaalsContact O-N 3.14Å; V231-M233 VanDerWaalsContact C-N 3.34Å; V231-M233 PolarHBondContact O-N 2.92Å; M233-R367 HydrophobicContact CE-CB 4.39Å; M233-R367 HydrophobicContact CE-CG 4.04Å
234	A	85.1	Confident	83.1	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-74	-34.7	176.9	0	0	0	0	0	113.8	F230 V231 N232 P237 A331 I356 F369	F230-A234 PolarHBondContact O-N 3.13Å; F230-A234 VanDerWaalsContact O-N 3.13Å; V231-A234 WeakPolarHBondContact O-CB 3.44Å; V231-A234 PolarHBondContact O-N 3.33Å; V231-A234 VanDerWaalsContact O-N 3.08Å; N232-A234 VanDerWaalsContact C-N 3.28Å; N232-A234 PolarHBondContact O-N 3.43Å; A234-P237 WeakPolarHBondContact O-CD 3.35Å; A234-A331 HydrophobicContact CB-CB 4.41Å; A234-I356 HydrophobicContact CB-CD1 3.66Å; A234-F369 WeakPolarHBondContact O-CE2 3.45Å
235	Y	87.3	Confident	83	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-89	-21.1	-178.7	-82.7	-71.9	0	0	0	115.3	V231 N232 P237 L238 T240 I242 A331 M334 G335 L338 M340 F369	V231-Y235 HydrophobicContact CG1-CD2 3.62Å; V231-Y235 HydrophobicContact CG1-CE2 3.77Å; V231-Y235 WeakPolarHBondContact O-CD2 3.07Å; V231-Y235 PolarHBondContact O-N 2.75Å; N232-Y235 PolarHBondContact O-N 2.81Å; Y235-P237 VanDerWaalsContact C-N 3.3Å; Y235-P237 VanDerWaalsContact O-N 3.15Å; Y235-L238 HydrophobicContact CD1-CD1 4.03Å; Y235-L238 HydrophobicContact CE1-CD1 4.24Å; Y235-L238 WeakPolarHBondContact O-CB 3.49Å; Y235-L238 PolarHBondContact O-N 3.49Å; Y235-T240 CarbonylContact C-O 3.6Å; Y235-T240 WeakPolarHBondContact CB-O 3.5Å; Y235-T240 HydrophobicContact CD1-CG2 4.27Å; Y235-I242 HydrophobicContact CD2-CD1 4.09Å; Y235-I242 HydrophobicContact CD2-CG1 3.92Å; Y235-I242 HydrophobicContact CG-CD1 4.28Å; Y235-I242 HydrophobicContact CG-CG1 4.33Å; Y235-A331 HydrophobicContact CE2-CB 4.18Å; Y235-A331 PolarHBondContact OH-O 3.44Å; Y235-M334 HydrophobicContact CE2-CB 4.25Å; Y235-M334 VanDerWaalsContact OH-C 3.24Å; Y235-M334 VanDerWaalsContact OH-CB 3.3Å; Y235-M334 WeakPolarHBondContact OH-CB 3.16Å; Y235-G335 WeakPolarHBondContact OH-CA 3.26Å; Y235-G335 PolarHBondContact OH-N 2.74Å; Y235-L338 HydrophobicContact CD1-CD1 4.31Å; Y235-L338 HydrophobicContact CE1-CD1 3.4Å; Y235-M340 HydrophobicContact CE1-CE 4.31Å; Y235-F369 AromaticContact CD1-CE2 3.89Å; Y235-F369 HydrophobicContact CD1-CE2 3.89Å; Y235-F369 HydrophobicContact CD1-CZ 4.16Å; Y235-F369 AromaticContact CE1-CE2 3.76Å; Y235-F369 HydrophobicContact CE1-CE2 3.76Å; Y235-F369 AromaticContact CE1-CZ 3.56Å; Y235-F369 HydrophobicContact CE1-CZ 3.56Å; Y235-F369 HydrophobicContact CE2-CZ 4.23Å; Y235-F369 HydrophobicContact CG-CE2 4.35Å; Y235-F369 AromaticContact CZ-CZ 3.61Å
236	K	78.7	Confident	83.2	Confident	109 Å²	109	20.1 Å²	20.1	47%	0.474	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-49.3	-39.4	177.9	-167.5	156.4	-173.3	153.5	0	114.2	N232 L238 K239	N232-K236 WeakPolarHBondContact O-CB 3.49Å; N232-K236 PolarHBondContact O-N 3.35Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 2.78Å; K236-K239 PolarHBondContact O-N 2.87Å
237	P	80.4	Confident	83.9	Confident	101 Å²	101	19.2 Å²	19.2	66%	0.656	10%	0.098	S	C	*	.	G	3₁₀ helix	trans	-63.5	-22.2	174.7	-23.6	35.5	0	0	0	115.7	A234 Y235 K239	A234-P237 WeakPolarHBondContact O-CD 3.35Å; Y235-P237 VanDerWaalsContact C-N 3.3Å; Y235-P237 VanDerWaalsContact O-N 3.15Å; P237-K239 VanDerWaalsContact C-N 3.32Å
238	L	82.7	Confident	84.3	Confident	24 Å²	24	19.2 Å²	19.2	13%	0.126	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-90	4.9	178.7	-63.9	-177.8	0	0	0	113.3	K197 Y235 K236 T240 M340 F369 Y377	K197-L238 PolarHBondContact NZ-O 3.27Å; Y235-L238 HydrophobicContact CD1-CD1 4.03Å; Y235-L238 HydrophobicContact CE1-CD1 4.24Å; Y235-L238 WeakPolarHBondContact O-CB 3.49Å; Y235-L238 PolarHBondContact O-N 3.49Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 2.78Å; L238-T240 VanDerWaalsContact C-N 3.25Å; L238-T240 PolarHBondContact O-N 3.28Å; L238-T240 PolarHBondContact O-OG1 2.9Å; L238-M340 HydrophobicContact CD1-CE 3.55Å; L238-F369 HydrophobicContact CD1-CD2 3.49Å; L238-F369 VanDerWaalsContact CD1-CD2 3.49Å; L238-F369 HydrophobicContact CD1-CE2 3.8Å; L238-F369 HydrophobicContact CD1-CG 4.01Å; L238-F369 HydrophobicContact CG-CD2 4.08Å; L238-Y377 HydrophobicContact CB-CD1 4.27Å; L238-Y377 HydrophobicContact CB-CE1 4Å; L238-Y377 HydrophobicContact CD1-CD1 4.04Å; L238-Y377 HydrophobicContact CD1-CE1 4.39Å; L238-Y377 HydrophobicContact CD2-CD1 4.3Å; L238-Y377 HydrophobicContact CG-CD1 4.45Å
239	K	75.3	Confident	84.8	Confident	93 Å²	93	19.8 Å²	19.8	40%	0.404	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.8	-168.2	-65.6	-166.6	172.5	-152.9	0	112.7	L194 Q196 K197 K236 P237	L194-K239 VanDerWaalsContact O-CD 3.23Å; L194-K239 WeakPolarHBondContact O-CD 3.5Å; L194-K239 PolarHBondContact O-NZ 3.05Å; Q196-K239 VanDerWaalsContact CD-O 3.3Å; Q196-K239 PolarHBondContact NE2-O 2.86Å; Q196-K239 PolarHBondContact OE1-O 3.23Å; K197-K239 WeakPolarHBondContact CD-O 3.18Å; K197-K239 PolarHBondContact N-O 2.87Å; K236-K239 PolarHBondContact O-N 2.87Å; P237-K239 VanDerWaalsContact C-N 3.32Å
240	T	82.9	Confident	85.7	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.3	-179.8	-54.7	0	0	0	0	108.8	K197 I199 Y235 L238 I242 Y377	K197-T240 HydrophobicContact CB-CG2 4.38Å; I199-T240 HydrophobicContact CD1-CG2 3.72Å; I199-T240 HydrophobicContact CG1-CG2 4.07Å; Y235-T240 CarbonylContact C-O 3.6Å; Y235-T240 WeakPolarHBondContact CB-O 3.5Å; Y235-T240 HydrophobicContact CD1-CG2 4.27Å; L238-T240 VanDerWaalsContact C-N 3.25Å; L238-T240 PolarHBondContact O-N 3.28Å; L238-T240 PolarHBondContact O-OG1 2.9Å; T240-I242 HydrophobicContact CG2-CD1 4.01Å; T240-Y377 PolarHBondContact OG1-OH 3.38Å
241	F	82.6	Confident	86.2	Confident	19 Å²	19	20.3 Å²	20.3	8%	0.083	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.9	177.6	-178.4	-96.7	0	0	0	110.9	E76 K197 Y198 I199 N232 G243	E76-F241 VanDerWaalsContact C-CZ 3.44Å; E76-F241 HydrophobicContact CB-CD2 4.08Å; E76-F241 HydrophobicContact CB-CE1 3.93Å; E76-F241 HydrophobicContact CB-CE2 3.3Å; E76-F241 HydrophobicContact CB-CZ 3.26Å; E76-F241 HydrophobicContact CG-CE2 4.26Å; E76-F241 WeakPolarHBondContact O-CE1 3.39Å; E76-F241 WeakPolarHBondContact O-CZ 3.24Å; E76-F241 WeakPolarHBondContact OE2-CD2 3.14Å; E76-F241 VanDerWaalsContact OE2-CE2 3.3Å; E76-F241 WeakPolarHBondContact OE2-CE2 3.15Å; K197-F241 PolarHBondContact O-N 3.14Å; Y198-F241 CarbonylContact C-O 3.6Å; Y198-F241 WeakPolarHBondContact CA-O 3.44Å; Y198-F241 HydrophobicContact CD1-CB 4.21Å; Y198-F241 HydrophobicContact CD1-CD1 4.19Å; I199-F241 PolarHBondContact N-O 2.01Å; N232-F241 HydrophobicContact CB-CE2 4.42Å; N232-F241 VanDerWaalsContact CG-CE2 3.43Å; N232-F241 WeakPolarHBondContact OD1-CD2 3.36Å; N232-F241 WeakPolarHBondContact OD1-CE2 3.37Å; F241-G243 VanDerWaalsContact CE1-CA 3.5Å; F241-G243 VanDerWaalsContact CE1-N 3.34Å
242	I	85.8	Confident	86.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.4	-177	-47.3	-56	0	0	0	109.7	I199 L201 V231 N232 Y235 T240 M334	I199-I242 HydrophobicContact CB-CD1 3.83Å; I199-I242 HydrophobicContact CD1-CD1 3.69Å; I199-I242 HydrophobicContact CG1-CD1 3.96Å; L201-I242 HydrophobicContact CB-CG2 3.84Å; L201-I242 HydrophobicContact CD2-CG2 3.66Å; L201-I242 HydrophobicContact CG-CG2 4.38Å; V231-I242 HydrophobicContact CG1-CG1 4.01Å; N232-I242 PolarHBondContact ND2-O 3.43Å; N232-I242 WeakPolarHBondContact OD1-CA 3.41Å; N232-I242 WeakPolarHBondContact OD1-CB 3.34Å; N232-I242 PolarHBondContact OD1-N 3.06Å; N232-I242 PolarHBondContact OD1-O 2.84Å; Y235-I242 HydrophobicContact CD2-CD1 4.09Å; Y235-I242 HydrophobicContact CD2-CG1 3.92Å; Y235-I242 HydrophobicContact CG-CD1 4.28Å; Y235-I242 HydrophobicContact CG-CG1 4.33Å; T240-I242 HydrophobicContact CG2-CD1 4.01Å; I242-M334 HydrophobicContact CD1-CE 3.83Å; I242-M334 HydrophobicContact CG1-CE 4.33Å; I242-M334 HydrophobicContact CG2-CE 3.89Å
243	G	82.4	Confident	87	Confident	5 Å²	5	26.7 Å²	26.7	5%	0.052	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.7	178	0	0	0	0	0	111	I199 L201 F241 V245	I199-G243 PolarHBondContact O-N 3.19Å; L201-G243 PolarHBondContact N-O 2.96Å; F241-G243 VanDerWaalsContact CE1-CA 3.5Å; F241-G243 VanDerWaalsContact CE1-N 3.34Å; G243-V245 PolarHBondContact O-N 3.32Å
244	L	84.6	Confident	87.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	110.8	174.5	-172.3	69	0	0	0	109.2	L77 L78 T79 Y82 L201 L203 I224 F225 V228 G246	L77-L244 WeakPolarHBondContact O-CB 3.35Å; L77-L244 PolarHBondContact O-N 3.1Å; L78-L244 HydrophobicContact CD2-CB 4.16Å; L78-L244 HydrophobicContact CD2-CD2 3.94Å; L78-L244 HydrophobicContact CD2-CG 4.5Å; T79-L244 PolarHBondContact N-O 2.88Å; Y82-L244 HydrophobicContact CD2-CD2 4.31Å; Y82-L244 HydrophobicContact CD2-CG 4.09Å; Y82-L244 WeakPolarHBondContact CD2-O 3.28Å; Y82-L244 HydrophobicContact CE2-CD2 3.62Å; Y82-L244 HydrophobicContact CE2-CG 3.8Å; L201-L244 HydrophobicContact CG-CD1 4.44Å; L201-L244 WeakPolarHBondContact O-CA 3.02Å; L203-L244 HydrophobicContact CB-CD1 4.12Å; L203-L244 HydrophobicContact CD1-CD1 4.07Å; L203-L244 HydrophobicContact CG-CD1 3.88Å; I224-L244 HydrophobicContact CG2-CD2 4.14Å; F225-L244 HydrophobicContact CD1-CD2 4.02Å; F225-L244 HydrophobicContact CE1-CD2 3.8Å; V228-L244 HydrophobicContact CG2-CD1 4.38Å; V228-L244 HydrophobicContact CG2-CD2 4.5Å; L244-G246 WeakPolarHBondContact CD1-O 3.34Å
245	V	85.1	Confident	88.3	Confident	8 Å²	8	30.3 Å²	30.3	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-9.9	-179.6	-53.9	0	0	0	0	113.4	T79 Y82 S83 E200 L201 V202 G243 I281 H283	T79-V245 HydrophobicContact CG2-CG1 3.8Å; Y82-V245 WeakPolarHBondContact CA-O 3.4Å; S83-V245 PolarHBondContact N-O 2.85Å; E200-V245 HydrophobicContact CB-CG1 3.68Å; E200-V245 HydrophobicContact CB-CG2 4.07Å; E200-V245 HydrophobicContact CG-CG1 3.83Å; L201-V245 PolarHBondContact O-N 3.12Å; V202-V245 HydrophobicContact CG2-CG2 3.65Å; G243-V245 PolarHBondContact O-N 3.32Å; V245-I281 HydrophobicContact CG2-CG2 3.96Å; V245-H283 HydrophobicContact CG2-CB 3.86Å
246	G	87.8	Confident	88.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	150.7	173	0	0	0	0	0	114	S83 V202 L203 L244	S83-G246 WeakPolarHBondContact O-CA 3.26Å; V202-G246 WeakPolarHBondContact CA-O 3.03Å; L203-G246 PolarHBondContact N-O 3.43Å; L244-G246 WeakPolarHBondContact CD1-O 3.34Å
247	L	93.5	Very high	89.5	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.3	169.1	172.9	54.9	0	0	0	108.8	Y82 S83 E84 T85 L203 I224 V249	Y82-L247 HydrophobicContact CE2-CB 3.97Å; Y82-L247 WeakPolarHBondContact OH-CB 3.3Å; S83-L247 PolarHBondContact O-N 3.38Å; E84-L247 CarbonylContact C-O 3.54Å; E84-L247 WeakPolarHBondContact CA-O 3.34Å; E84-L247 HydrophobicContact CG-CB 4.49Å; T85-L247 PolarHBondContact N-O 3.32Å; L203-L247 HydrophobicContact CB-CD1 4.48Å; L203-L247 WeakPolarHBondContact O-CA 3.33Å; I224-L247 HydrophobicContact CB-CD2 4.36Å; I224-L247 HydrophobicContact CG1-CD1 4.09Å; I224-L247 HydrophobicContact CG1-CD2 4.38Å; I224-L247 HydrophobicContact CG2-CD1 4.26Å; I224-L247 HydrophobicContact CG2-CD2 4.3Å; L247-V249 HydrophobicContact CD1-CG2 4.21Å; L247-V249 HydrophobicContact CG-CG2 4.09Å
248	E	95.8	Very high	90.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.1	176.3	-170.3	149.2	123.7	0	0	110.7	T85 Y87 L203 V204 A205 W272 R280	T85-E248 VanDerWaalsContact CB-OE2 3.32Å; T85-E248 WeakPolarHBondContact CB-OE2 3.43Å; T85-E248 HydrophobicContact CG2-CG 3.9Å; T85-E248 VanDerWaalsContact CG2-OE2 3.3Å; T85-E248 WeakPolarHBondContact CG2-OE2 3.29Å; T85-E248 WeakPolarHBondContact O-CA 3.04Å; Y87-E248 HydrophobicContact CE2-CG 4.32Å; Y87-E248 PolarHBondContact OH-OE1 2.86Å; L203-E248 PolarHBondContact O-N 2.87Å; V204-E248 CarbonylContact C-O 3.59Å; V204-E248 VanDerWaalsContact CA-O 3.27Å; V204-E248 WeakPolarHBondContact CA-O 3.37Å; V204-E248 HydrophobicContact CG1-CB 4.4Å; V204-E248 HydrophobicContact CG2-CB 4.29Å; A205-E248 PolarHBondContact N-O 3.13Å; E248-W272 WeakPolarHBondContact OE1-CH2 3.31Å; E248-W272 WeakPolarHBondContact OE1-CZ2 3.47Å; E248-R280 IonicContact OE1-CZ 2.79Å; E248-R280 IonicContact OE1-NH1 3.51Å; E248-R280 PolarHBondContact OE1-NH1 3.26Å; E248-R280 IonicContact OE1-NH2 3.17Å; E248-R280 PolarHBondContact OE1-NH2 2.67Å; E248-R280 IonicContact OE2-CZ 3.14Å; E248-R280 IonicContact OE2-NH1 3.23Å; E248-R280 PolarHBondContact OE2-NH1 2.96Å; E248-R280 IonicContact OE2-NH2 3.2Å; E248-R280 PolarHBondContact OE2-NH2 3.18Å
249	V	97.1	Very high	90.4	Very high	11 Å²	11	27.6 Å²	27.6	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.8	-177.3	-176.5	0	0	0	0	108.9	T85 Y87 A205 Y210 L220 L247 S251	T85-V249 PolarHBondContact O-N 2.93Å; Y87-V249 WeakPolarHBondContact CD2-O 3.2Å; A205-V249 HydrophobicContact CB-CG2 4.5Å; Y210-V249 HydrophobicContact CD2-CG1 3.69Å; Y210-V249 HydrophobicContact CE2-CG1 4.28Å; Y210-V249 HydrophobicContact CG-CG1 3.9Å; L220-V249 HydrophobicContact CD2-CB 4.25Å; L220-V249 HydrophobicContact CD2-CG1 3.51Å; L220-V249 HydrophobicContact CD2-CG2 3.68Å; L247-V249 HydrophobicContact CD1-CG2 4.21Å; L247-V249 HydrophobicContact CG-CG2 4.09Å; V249-S251 PolarHBondContact O-N 3.16Å
250	W	97.1	Very high	90.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.			trans	-77.9	58.9	178	-64	-13.2	0	0	0	111.5	V204 A205 D206 N207 N252 D254 L255 I256 V258 F269 W272 L288	V204-W250 HydrophobicContact CG1-CD2 4.13Å; V204-W250 VanDerWaalsContact CG1-CE2 3.46Å; V204-W250 HydrophobicContact CG1-CH2 4.3Å; V204-W250 HydrophobicContact CG1-CZ2 3.59Å; A205-W250 PolarHBondContact O-N 3.32Å; D206-W250 HydrophobicContact CB-CE3 3.97Å; D206-W250 HydrophobicContact CB-CZ3 4.34Å; N207-W250 WeakPolarHBondContact CA-O 3Å; N207-W250 WeakPolarHBondContact CB-O 2.95Å; N207-W250 PolarHBondContact ND2-O 2.98Å; W250-N252 VanDerWaalsContact C-N 3.27Å; W250-N252 PolarHBondContact O-N 3.13Å; W250-D254 HydrophobicContact CE3-CB 3.85Å; W250-D254 HydrophobicContact CZ3-CB 4.27Å; W250-L255 HydrophobicContact CD2-CB 4.26Å; W250-L255 HydrophobicContact CD2-CG 4.11Å; W250-L255 HydrophobicContact CG-CD1 4.45Å; W250-L255 HydrophobicContact CG-CG 4.04Å; W250-L255 HydrophobicContact CZ2-CB 3.98Å; W250-L255 HydrophobicContact CZ2-CG 4.47Å; W250-I256 HydrophobicContact CH2-CB 4.36Å; W250-I256 HydrophobicContact CH2-CD1 3.87Å; W250-I256 HydrophobicContact CH2-CG1 3.7Å; W250-I256 HydrophobicContact CH2-CG2 4.05Å; W250-I256 HydrophobicContact CZ3-CD1 4.16Å; W250-I256 HydrophobicContact CZ3-CG1 3.74Å; W250-V258 HydrophobicContact CZ3-CG2 4.18Å; W250-F269 HydrophobicContact CH2-CD2 4.34Å; W250-W272 HydrophobicContact CZ2-CD2 4.06Å; W250-W272 AromaticContact CZ2-CE2 3.96Å; W250-W272 HydrophobicContact CZ2-CE3 4.19Å; W250-W272 HydrophobicContact CZ2-CH2 4.18Å; W250-W272 HydrophobicContact CZ2-CZ2 4.04Å; W250-W272 HydrophobicContact CZ2-CZ3 4.25Å; W250-W272 AromaticContact NE1-CZ2 3.88Å; W250-L288 HydrophobicContact CE3-CD1 4.49Å; W250-L288 HydrophobicContact CH2-CD1 3.89Å; W250-L288 HydrophobicContact CZ3-CD1 3.86Å
251	S	94.6	Very high	90.5	Very high	14 Å²	14	29.2 Å²	29.2	10%	0.098	17%	0.173	C	C	.	.			trans	-68.5	-16.5	-167	55.5	0	0	0	0	115.9	Y87 N207 Y210 V249	Y87-S251 PolarHBondContact N-OG 2.81Å; Y87-S251 PolarHBondContact O-OG 2.9Å; N207-S251 PolarHBondContact ND2-O 2.96Å; Y210-S251 VanDerWaalsContact CE1-CB 3.44Å; V249-S251 PolarHBondContact O-N 3.16Å
252	N	93.9	Very high	90.2	Very high	59 Å²	59	28.7 Å²	28.7	32%	0.316	17%	0.171	S	C	.	.	S	Bend	trans	-92.5	-67.5	173.8	180	-59.4	0	0	0	110.5	Q88 E89 N207 W250	Q88-N252 PolarHBondContact O-ND2 2.02Å; E89-N252 WeakPolarHBondContact CA-ND2 3.04Å; E89-N252 PolarHBondContact O-ND2 3.14Å; N207-N252 PolarHBondContact ND2-O 2.94Å; W250-N252 VanDerWaalsContact C-N 3.27Å; W250-N252 PolarHBondContact O-N 3.13Å
253	T	93.9	Very high	89.6	Confident	80 Å²	80	33.5 Å²	33.5	49%	0.491	20%	0.197	S	C	.	.	S	Bend	trans	-148.9	157.5	-179.7	-176.2	0	0	0	0	108.7
254	D	97.2	Very high	89.4	Confident	47 Å²	47	37 Å²	37	25%	0.251	22%	0.215	S	C	.	.			trans	-64.4	145.7	174.5	-57.9	-52.4	0	0	0	111.8	D206 N207 W250 I256 V258	D206-D254 WeakPolarHBondContact CB-OD1 3.35Å; N207-D254 VanDerWaalsContact CB-OD1 3.23Å; N207-D254 WeakPolarHBondContact CB-OD1 3.08Å; N207-D254 PolarHBondContact N-OD1 3.22Å; W250-D254 HydrophobicContact CE3-CB 3.85Å; W250-D254 HydrophobicContact CZ3-CB 4.27Å; D254-I256 WeakPolarHBondContact CB-O 3.05Å; D254-V258 HydrophobicContact CB-CG2 4Å
255	L	95.8	Very high	89.5	Confident	60 Å²	60	37 Å²	37	31%	0.314	22%	0.215	S	C	.	.	S	Bend	trans	-95.7	-1.1	179.7	-53.8	-176.9	0	0	0	113.3	Y87 W250 W272	Y87-L255 HydrophobicContact CE1-CD1 4.28Å; Y87-L255 HydrophobicContact CE1-CD2 4.33Å; Y87-L255 HydrophobicContact CE2-CD1 4.21Å; Y87-L255 WeakPolarHBondContact OH-CD1 3.48Å; W250-L255 HydrophobicContact CD2-CB 4.26Å; W250-L255 HydrophobicContact CD2-CG 4.11Å; W250-L255 HydrophobicContact CG-CD1 4.45Å; W250-L255 HydrophobicContact CG-CG 4.04Å; W250-L255 HydrophobicContact CZ2-CB 3.98Å; W250-L255 HydrophobicContact CZ2-CG 4.47Å; L255-W272 HydrophobicContact CD1-CZ2 3.87Å
256	I	96.4	Very high	89.6	Confident	22 Å²	22	36.9 Å²	36.9	11%	0.113	21%	0.214	C	C	.	.	S	Bend	trans	-132.5	165.4	169.4	71.7	-178.8	0	0	0	108.9	W250 D254 V258 A268 F269 W272 L288	W250-I256 HydrophobicContact CH2-CB 4.36Å; W250-I256 HydrophobicContact CH2-CD1 3.87Å; W250-I256 HydrophobicContact CH2-CG1 3.7Å; W250-I256 HydrophobicContact CH2-CG2 4.05Å; W250-I256 HydrophobicContact CZ3-CD1 4.16Å; W250-I256 HydrophobicContact CZ3-CG1 3.74Å; D254-I256 WeakPolarHBondContact CB-O 3.05Å; I256-V258 HydrophobicContact CD1-CG2 4.44Å; I256-V258 HydrophobicContact CG1-CG2 3.88Å; I256-V258 PolarHBondContact O-N 3.48Å; I256-V258 VanDerWaalsContact O-N 3.08Å; I256-A268 HydrophobicContact CB-CB 4.11Å; I256-A268 HydrophobicContact CD1-CB 4.08Å; I256-A268 HydrophobicContact CG1-CB 4.49Å; I256-A268 HydrophobicContact CG2-CB 4.48Å; I256-F269 HydrophobicContact CD1-CB 3.94Å; I256-W272 HydrophobicContact CG2-CB 3.47Å; I256-W272 VanDerWaalsContact CG2-CB 3.47Å; I256-W272 HydrophobicContact CG2-CG 3.79Å; I256-L288 HydrophobicContact CD1-CD2 4.02Å
257	S	93.8	Very high	89.2	Confident	92 Å²	92	40.3 Å²	40.3	64%	0.643	23%	0.23	S	C	*	.			trans	-75.4	93.4	169.8	179.5	0	0	0	0	110.2
258	V	93.7	Very high	89	Confident	27 Å²	27	41.6 Å²	41.6	16%	0.164	24%	0.241	C	C	.	.			trans	-73.8	123.8	175.4	179.9	0	0	0	0	110	D206 W250 D254 I256 N265 I292	D206-V258 HydrophobicContact CB-CG2 4.42Å; W250-V258 HydrophobicContact CZ3-CG2 4.18Å; D254-V258 HydrophobicContact CB-CG2 4Å; I256-V258 HydrophobicContact CD1-CG2 4.44Å; I256-V258 HydrophobicContact CG1-CG2 3.88Å; I256-V258 PolarHBondContact O-N 3.48Å; I256-V258 VanDerWaalsContact O-N 3.08Å; V258-N265 WeakPolarHBondContact CA-OD1 3.5Å; V258-N265 WeakPolarHBondContact CG1-OD1 3.4Å; V258-I292 HydrophobicContact CG1-CB 4.16Å; V258-I292 HydrophobicContact CG1-CD1 4Å; V258-I292 HydrophobicContact CG1-CG2 4.11Å
259	T	90.1	Very high	89.1	Confident	36 Å²	36	41.5 Å²	41.5	22%	0.221	24%	0.241	C	C	.	.			trans	-132.3	175.1	-173.5	61.1	0	0	0	0	111.8	D264 N265	T259-D264 WeakPolarHBondContact OG1-CB 3.33Å; T259-N265 PolarHBondContact N-OD1 2.83Å; T259-N265 VanDerWaalsContact N-OD1 3.11Å; T259-N265 PolarHBondContact O-ND2 3.47Å
260	N	83.3	Confident	89	Confident	87 Å²	87	41.9 Å²	41.9	47%	0.465	24%	0.241	S	C	.	.	S	Bend	trans	-72.1	-38.4	176	-62.3	92.9	0	0	0	114	A262 D293 F294 E295	N260-A262 PolarHBondContact O-N 2.78Å; N260-D293 PolarHBondContact ND2-O 2.92Å; N260-F294 CarbonylContact O-C 3.46Å; N260-F294 WeakPolarHBondContact O-CA 3.29Å; N260-E295 PolarHBondContact O-N 2.91Å
261	P	77.1	Confident	88.8	Confident	41 Å²	41	45.6 Å²	45.6	27%	0.266	26%	0.264	S	S	.	.	S	Bend	trans	-67.5	115.8	177.5	-22.9	35	0	0	0	112.1	N263 D264 N265	P261-N263 PolarHBondContact O-N 2.88Å; P261-N263 VanDerWaalsContact O-N 3.11Å; P261-D264 HydrophobicContact CB-CB 4.46Å; P261-D264 PolarHBondContact O-N 3.2Å; P261-D264 VanDerWaalsContact O-N 3.14Å; P261-N265 PolarHBondContact O-N 3.22Å; P261-N265 PolarHBondContact O-ND2 2.8Å
262	A	76.5	Confident	88.9	Confident	7 Å²	7	45.9 Å²	45.9	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-29.7	-177.8	0	0	0	0	0	113.3	N260 N265 L266 F294 T298 L301 V315	N260-A262 PolarHBondContact O-N 2.78Å; A262-N265 PolarHBondContact O-N 3.44Å; A262-L266 PolarHBondContact O-N 2.84Å; A262-F294 HydrophobicContact CB-CB 4.31Å; A262-F294 HydrophobicContact CB-CD1 4.17Å; A262-F294 HydrophobicContact CB-CD2 3.95Å; A262-F294 HydrophobicContact CB-CE1 4.48Å; A262-F294 HydrophobicContact CB-CE2 4.26Å; A262-F294 HydrophobicContact CB-CG 3.92Å; A262-T298 HydrophobicContact CB-CG2 3.71Å; A262-L301 HydrophobicContact CB-CB 4.17Å; A262-L301 HydrophobicContact CB-CD2 4.26Å; A262-V315 HydrophobicContact CB-CG2 4.48Å
263	N	71.9	Confident	89	Confident	102 Å²	102	43.7 Å²	43.7	55%	0.545	25%	0.25	S	S	.	.	H	α-helix	trans	-63	-45.4	176.9	-173.2	88	0	0	0	113	P261 N265 L266 E267 L301	P261-N263 PolarHBondContact O-N 2.88Å; P261-N263 VanDerWaalsContact O-N 3.11Å; N263-N265 VanDerWaalsContact C-N 3.29Å; N263-N265 PolarHBondContact O-N 2.77Å; N263-L266 PolarHBondContact O-N 3.43Å; N263-E267 PolarHBondContact O-N 3.24Å; N263-L301 HydrophobicContact CB-CD2 4.16Å
264	D	77.8	Confident	88.9	Confident	79 Å²	79	42.1 Å²	42.1	42%	0.422	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-41.6	179.3	-61.6	-4.4	0	0	0	110.7	T259 P261 A268	T259-D264 WeakPolarHBondContact OG1-CB 3.33Å; P261-D264 HydrophobicContact CB-CB 4.46Å; P261-D264 PolarHBondContact O-N 3.2Å; P261-D264 VanDerWaalsContact O-N 3.14Å; D264-A268 WeakPolarHBondContact O-CB 3.19Å; D264-A268 PolarHBondContact O-N 3.39Å
265	N	87.1	Confident	88.7	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.4	-65.9	-85.4	0	0	0	111.5	V258 T259 P261 A262 N263 F269 F294 V315	V258-N265 WeakPolarHBondContact CA-OD1 3.5Å; V258-N265 WeakPolarHBondContact CG1-OD1 3.4Å; T259-N265 PolarHBondContact N-OD1 2.83Å; T259-N265 VanDerWaalsContact N-OD1 3.11Å; T259-N265 PolarHBondContact O-ND2 3.47Å; P261-N265 PolarHBondContact O-N 3.22Å; P261-N265 PolarHBondContact O-ND2 2.8Å; A262-N265 PolarHBondContact O-N 3.44Å; N263-N265 VanDerWaalsContact C-N 3.29Å; N263-N265 PolarHBondContact O-N 2.77Å; N265-F269 WeakPolarHBondContact O-CB 3.45Å; N265-F269 PolarHBondContact O-N 2.89Å; N265-F294 HydrophobicContact CB-CE1 4.4Å; N265-V315 HydrophobicContact CB-CG1 4.29Å
266	L	87.4	Confident	88.7	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-46.3	179.9	-178	63.4	0	0	0	112	A262 N263 F269 K270 L301 Y303 V313 V315	A262-L266 PolarHBondContact O-N 2.84Å; N263-L266 PolarHBondContact O-N 3.43Å; L266-F269 PolarHBondContact O-N 3.1Å; L266-K270 VanDerWaalsContact O-CB 3.32Å; L266-K270 WeakPolarHBondContact O-CB 3.46Å; L266-K270 PolarHBondContact O-N 3.31Å; L266-L301 HydrophobicContact CB-CD2 4.08Å; L266-L301 HydrophobicContact CD2-CB 4.45Å; L266-L301 HydrophobicContact CD2-CD2 3.68Å; L266-L301 HydrophobicContact CD2-CG 3.75Å; L266-Y303 HydrophobicContact CD1-CD2 4.14Å; L266-Y303 HydrophobicContact CD1-CE2 3.77Å; L266-Y303 HydrophobicContact CD2-CD1 4.43Å; L266-Y303 HydrophobicContact CD2-CD2 4.01Å; L266-Y303 HydrophobicContact CD2-CE1 4.15Å; L266-Y303 HydrophobicContact CD2-CE2 3.72Å; L266-Y303 HydrophobicContact CD2-CG 4.36Å; L266-Y303 HydrophobicContact CG-CD2 4.19Å; L266-Y303 HydrophobicContact CG-CE2 3.52Å; L266-V313 HydrophobicContact CD1-CG2 3.86Å; L266-V315 HydrophobicContact CB-CG1 4.13Å; L266-V315 HydrophobicContact CB-CG2 4.27Å; L266-V315 HydrophobicContact CD1-CG1 4.07Å
267	E	78.9	Confident	88.6	Confident	73 Å²	73	41.9 Å²	41.9	34%	0.341	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-42.3	179.3	-174.2	58.9	-149.7	0	0	112	N263 K270 T271 Y303	N263-E267 PolarHBondContact O-N 3.24Å; E267-K270 WeakPolarHBondContact OE1-CE 3.48Å; E267-K270 IonicContact OE1-NZ 3.92Å; E267-K270 PolarHBondContact OE1-NZ 2.82Å; E267-K270 WeakPolarHBondContact OE2-CE 3.44Å; E267-K270 IonicContact OE2-NZ 2.71Å; E267-K270 PolarHBondContact OE2-NZ 3Å; E267-T271 WeakPolarHBondContact O-CB 2.98Å; E267-T271 PolarHBondContact O-N 2.83Å; E267-T271 PolarHBondContact O-OG1 3.46Å; E267-Y303 PolarHBondContact OE2-OH 3.41Å
268	A	90.4	Very high	88.4	Confident	31 Å²	31	40.5 Å²	40.5	26%	0.256	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-40.6	176.2	0	0	0	0	0	111.7	I256 D264 T271 W272	I256-A268 HydrophobicContact CB-CB 4.11Å; I256-A268 HydrophobicContact CD1-CB 4.08Å; I256-A268 HydrophobicContact CG1-CB 4.49Å; I256-A268 HydrophobicContact CG2-CB 4.48Å; D264-A268 WeakPolarHBondContact O-CB 3.19Å; D264-A268 PolarHBondContact O-N 3.39Å; A268-T271 PolarHBondContact O-N 3.16Å; A268-W272 WeakPolarHBondContact O-CB 3.36Å; A268-W272 PolarHBondContact O-N 2.77Å
269	F	97.4	Very high	88.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-40.9	176.5	-176	-114.9	0	0	0	112.3	V204 W250 I256 N265 L266 T271 W272 R273 A286 L288 V313 V315	V204-F269 HydrophobicContact CB-CE2 3.81Å; V204-F269 HydrophobicContact CB-CZ 4.06Å; V204-F269 HydrophobicContact CG1-CE2 4.17Å; V204-F269 HydrophobicContact CG2-CE2 3.76Å; V204-F269 HydrophobicContact CG2-CZ 3.81Å; W250-F269 HydrophobicContact CH2-CD2 4.34Å; I256-F269 HydrophobicContact CD1-CB 3.94Å; N265-F269 WeakPolarHBondContact O-CB 3.45Å; N265-F269 PolarHBondContact O-N 2.89Å; L266-F269 PolarHBondContact O-N 3.1Å; F269-T271 VanDerWaalsContact C-N 3.35Å; F269-T271 PolarHBondContact O-N 3.48Å; F269-W272 AromaticContact CD2-CE3 3.93Å; F269-W272 HydrophobicContact CD2-CE3 3.93Å; F269-W272 HydrophobicContact CD2-CZ3 4.33Å; F269-W272 AromaticContact CE2-CE3 3.78Å; F269-W272 HydrophobicContact CE2-CE3 3.78Å; F269-W272 AromaticContact CE2-CZ3 3.71Å; F269-W272 HydrophobicContact CE2-CZ3 3.71Å; F269-W272 HydrophobicContact CZ-CZ3 4.49Å; F269-W272 PolarHBondContact O-N 3.01Å; F269-R273 WeakPolarHBondContact O-CB 3.41Å; F269-R273 PolarHBondContact O-N 3.02Å; F269-A286 HydrophobicContact CE1-CB 4.31Å; F269-A286 HydrophobicContact CZ-CB 4.22Å; F269-L288 HydrophobicContact CB-CD2 4.43Å; F269-L288 HydrophobicContact CD1-CB 3.99Å; F269-L288 HydrophobicContact CD2-CB 3.92Å; F269-L288 HydrophobicContact CD2-CD1 4.21Å; F269-L288 HydrophobicContact CD2-CD2 4.31Å; F269-L288 HydrophobicContact CD2-CG 4.38Å; F269-L288 HydrophobicContact CE1-CB 4.02Å; F269-L288 HydrophobicContact CE2-CB 3.95Å; F269-L288 HydrophobicContact CE2-CD1 4.17Å; F269-L288 HydrophobicContact CG-CB 3.94Å; F269-L288 HydrophobicContact CG-CD2 4.41Å; F269-L288 HydrophobicContact CZ-CB 4Å; F269-V313 HydrophobicContact CD1-CB 4.09Å; F269-V313 HydrophobicContact CD1-CG1 4.28Å; F269-V313 HydrophobicContact CE1-CB 4.19Å; F269-V313 HydrophobicContact CE1-CG1 4.17Å; F269-V315 HydrophobicContact CB-CG1 4.36Å; F269-V315 HydrophobicContact CD1-CG1 4.45Å
270	K	94	Very high	88.1	Confident	18 Å²	18	47.8 Å²	47.8	8%	0.078	25%	0.251	C	S	.	.	H	α-helix	trans	-54.6	-51.9	169.9	-176.6	-172.4	71.5	-165.1	0	110.8	L266 E267 W272 R273 N274 Y303 H311 V313	L266-K270 VanDerWaalsContact O-CB 3.32Å; L266-K270 WeakPolarHBondContact O-CB 3.46Å; L266-K270 PolarHBondContact O-N 3.31Å; E267-K270 WeakPolarHBondContact OE1-CE 3.48Å; E267-K270 IonicContact OE1-NZ 3.92Å; E267-K270 PolarHBondContact OE1-NZ 2.82Å; E267-K270 WeakPolarHBondContact OE2-CE 3.44Å; E267-K270 IonicContact OE2-NZ 2.71Å; E267-K270 PolarHBondContact OE2-NZ 3Å; K270-W272 PolarHBondContact O-N 3.41Å; K270-R273 PolarHBondContact O-N 2.89Å; K270-N274 WeakPolarHBondContact O-CB 3.39Å; K270-N274 PolarHBondContact O-N 3.45Å; K270-N274 PolarHBondContact O-ND2 2.89Å; K270-Y303 HydrophobicContact CB-CE2 4.3Å; K270-Y303 HydrophobicContact CD-CE2 3.89Å; K270-Y303 HydrophobicContact CG-CE2 4.39Å; K270-Y303 PolarHBondContact NZ-OH 3.03Å; K270-H311 HydrophobicContact CD-CB 4.45Å; K270-H311 WeakPolarHBondContact CD-CD2 3.24Å; K270-H311 WeakPolarHBondContact CD-NE2 3.47Å; K270-H311 PolarHBondContact NZ-NE2 3.38Å; K270-V313 HydrophobicContact CB-CG2 3.82Å; K270-V313 HydrophobicContact CG-CG2 4.16Å
271	T	93.1	Very high	88.1	Confident	78 Å²	78	44.6 Å²	44.6	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-47	-179.1	-62.3	0	0	0	0	111	E267 A268 F269 S275	E267-T271 WeakPolarHBondContact O-CB 2.98Å; E267-T271 PolarHBondContact O-N 2.83Å; E267-T271 PolarHBondContact O-OG1 3.46Å; A268-T271 PolarHBondContact O-N 3.16Å; F269-T271 VanDerWaalsContact C-N 3.35Å; F269-T271 PolarHBondContact O-N 3.48Å; T271-S275 WeakPolarHBondContact O-CB 3.3Å; T271-S275 PolarHBondContact O-N 2.02Å; T271-S275 PolarHBondContact O-OG 3.37Å
272	W	97.6	Very high	88.5	Confident	20 Å²	20	48.3 Å²	48.3	8%	0.076	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-40	176.7	174.7	91.8	0	0	0	113	V204 E248 W250 L255 I256 A268 F269 K270 N274 S275 E276 L277	V204-W272 HydrophobicContact CG1-CH2 4.39Å; V204-W272 HydrophobicContact CG2-CH2 4.17Å; V204-W272 HydrophobicContact CG2-CZ3 3.99Å; E248-W272 WeakPolarHBondContact OE1-CH2 3.31Å; E248-W272 WeakPolarHBondContact OE1-CZ2 3.47Å; W250-W272 HydrophobicContact CZ2-CD2 4.06Å; W250-W272 AromaticContact CZ2-CE2 3.96Å; W250-W272 HydrophobicContact CZ2-CE3 4.19Å; W250-W272 HydrophobicContact CZ2-CH2 4.18Å; W250-W272 HydrophobicContact CZ2-CZ2 4.04Å; W250-W272 HydrophobicContact CZ2-CZ3 4.25Å; W250-W272 AromaticContact NE1-CZ2 3.88Å; L255-W272 HydrophobicContact CD1-CZ2 3.87Å; I256-W272 HydrophobicContact CG2-CB 3.47Å; I256-W272 VanDerWaalsContact CG2-CB 3.47Å; I256-W272 HydrophobicContact CG2-CG 3.79Å; A268-W272 WeakPolarHBondContact O-CB 3.36Å; A268-W272 PolarHBondContact O-N 2.77Å; F269-W272 AromaticContact CD2-CE3 3.93Å; F269-W272 HydrophobicContact CD2-CE3 3.93Å; F269-W272 HydrophobicContact CD2-CZ3 4.33Å; F269-W272 AromaticContact CE2-CE3 3.78Å; F269-W272 HydrophobicContact CE2-CE3 3.78Å; F269-W272 AromaticContact CE2-CZ3 3.71Å; F269-W272 HydrophobicContact CE2-CZ3 3.71Å; F269-W272 HydrophobicContact CZ-CZ3 4.49Å; F269-W272 PolarHBondContact O-N 3.01Å; K270-W272 PolarHBondContact O-N 3.41Å; W272-N274 PolarHBondContact O-N 3.34Å; W272-S275 WeakPolarHBondContact CA-OG 3.23Å; W272-S275 PolarHBondContact O-N 2.78Å; W272-S275 PolarHBondContact O-OG 2.75Å; W272-E276 PolarHBondContact O-N 3.21Å; W272-L277 HydrophobicContact CE3-CB 4.48Å; W272-L277 HydrophobicContact CH2-CB 4.04Å; W272-L277 HydrophobicContact CH2-CD1 4.19Å; W272-L277 HydrophobicContact CH2-CD2 4.35Å; W272-L277 HydrophobicContact CH2-CG 4.41Å; W272-L277 HydrophobicContact CZ3-CB 3.87Å; W272-L277 HydrophobicContact CZ3-CD2 3.96Å; W272-L277 HydrophobicContact CZ3-CG 4.35Å
273	R	96.7	Very high	89.2	Confident	13 Å²	13	48.6 Å²	48.6	5%	0.049	25%	0.246	C	C	.	.	I	π-helix	trans	-61.5	-47.3	177.8	176.9	-90.4	-179.5	164.4	2.4	110.9	F269 K270 L277 V278 H283 A286 T309 D310 V313	F269-R273 WeakPolarHBondContact O-CB 3.41Å; F269-R273 PolarHBondContact O-N 3.02Å; K270-R273 PolarHBondContact O-N 2.89Å; R273-L277 HydrophobicContact CG-CB 4.36Å; R273-L277 HydrophobicContact CG-CD2 4.18Å; R273-L277 WeakPolarHBondContact O-CB 3.35Å; R273-L277 PolarHBondContact O-N 2.81Å; R273-L277 VanDerWaalsContact O-N 3.08Å; R273-V278 PolarHBondContact O-N 2.93Å; R273-H283 PolarHBondContact NE-NE2 2.84Å; R273-H283 PolarHBondContact NH2-NE2 3Å; R273-A286 HydrophobicContact CG-CB 4.16Å; R273-T309 PolarHBondContact NH1-O 2.87Å; R273-D310 PolarHBondContact NH1-O 2.81Å; R273-V313 HydrophobicContact CB-CG1 4.07Å; R273-V313 HydrophobicContact CG-CG1 3.8Å
274	N	90.9	Very high	90.1	Very high	47 Å²	47	44.1 Å²	44.1	25%	0.251	22%	0.222	S	C	.	.	I	π-helix	trans	-75.7	-28.7	-178	-66	-30.9	0	0	0	113.3	K270 W272 V278 D310	K270-N274 WeakPolarHBondContact O-CB 3.39Å; K270-N274 PolarHBondContact O-N 3.45Å; K270-N274 PolarHBondContact O-ND2 2.89Å; W272-N274 PolarHBondContact O-N 3.34Å; N274-V278 WeakPolarHBondContact O-CG2 3.37Å; N274-D310 PolarHBondContact ND2-O 3.08Å; N274-D310 PolarHBondContact OD1-O 2.81Å; N274-D310 VanDerWaalsContact OD1-O 3.1Å
275	S	93.8	Very high	91	Very high	46 Å²	46	40.4 Å²	40.4	32%	0.322	20%	0.202	S	C	.	.	I	π-helix	trans	-81.1	-45	174.1	53.2	0	0	0	0	112.4	T271 W272 K279	T271-S275 WeakPolarHBondContact O-CB 3.3Å; T271-S275 PolarHBondContact O-N 2.02Å; T271-S275 PolarHBondContact O-OG 3.37Å; W272-S275 WeakPolarHBondContact CA-OG 3.23Å; W272-S275 PolarHBondContact O-N 2.78Å; W272-S275 PolarHBondContact O-OG 2.75Å; S275-K279 WeakPolarHBondContact O-CD 3.2Å; S275-K279 WeakPolarHBondContact O-CE 3.4Å; S275-K279 PolarHBondContact O-NZ 3.38Å
276	E	94.4	Very high	91.5	Very high	78 Å²	78	40.4 Å²	40.4	36%	0.364	20%	0.202	S	C	.	.	I	π-helix	trans	-120.3	-31.7	-167.6	-66.7	-53.4	117.3	0	0	116.2	W272 K279 R280	W272-E276 PolarHBondContact O-N 3.21Å; E276-K279 IonicContact OE1-NZ 3.81Å; E276-K279 PolarHBondContact OE1-NZ 3.13Å; E276-R280 PolarHBondContact O-NE 2.81Å
277	L	93.8	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-79.7	-47.5	-176.4	-174.1	62.7	0	0	0	112.7	V202 V204 W272 R273 K279 R280 I281 A286	V202-L277 HydrophobicContact CB-CD2 4.21Å; V202-L277 HydrophobicContact CG1-CD1 4.37Å; V202-L277 HydrophobicContact CG1-CD2 3.83Å; V204-L277 HydrophobicContact CG2-CD2 4.45Å; W272-L277 HydrophobicContact CE3-CB 4.48Å; W272-L277 HydrophobicContact CH2-CB 4.04Å; W272-L277 HydrophobicContact CH2-CD1 4.19Å; W272-L277 HydrophobicContact CH2-CD2 4.35Å; W272-L277 HydrophobicContact CH2-CG 4.41Å; W272-L277 HydrophobicContact CZ3-CB 3.87Å; W272-L277 HydrophobicContact CZ3-CD2 3.96Å; W272-L277 HydrophobicContact CZ3-CG 4.35Å; R273-L277 HydrophobicContact CG-CB 4.36Å; R273-L277 HydrophobicContact CG-CD2 4.18Å; R273-L277 WeakPolarHBondContact O-CB 3.35Å; R273-L277 PolarHBondContact O-N 2.81Å; R273-L277 VanDerWaalsContact O-N 3.08Å; L277-K279 PolarHBondContact O-N 3.15Å; L277-K279 VanDerWaalsContact O-N 3.13Å; L277-R280 PolarHBondContact O-N 2.82Å; L277-I281 HydrophobicContact CD1-CD1 4.21Å; L277-I281 PolarHBondContact O-N 3.43Å; L277-I281 VanDerWaalsContact O-N 3.15Å; L277-A286 HydrophobicContact CD2-CB 4.07Å
278	V	90.6	Very high	92.9	Very high	63 Å²	63	36.7 Å²	36.7	38%	0.382	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.9	-178.9	-64.3	0	0	0	0	113.8	R273 N274 R280	R273-V278 PolarHBondContact O-N 2.93Å; N274-V278 WeakPolarHBondContact O-CG2 3.37Å; V278-R280 PolarHBondContact O-N 3.03Å
279	K	89.9	Confident	93.3	Very high	147 Å²	147	35.3 Å²	35.3	64%	0.639	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.8	173.3	-66.9	177.4	-178.6	151.5	0	113.6	S275 E276 L277	S275-K279 WeakPolarHBondContact O-CD 3.2Å; S275-K279 WeakPolarHBondContact O-CE 3.4Å; S275-K279 PolarHBondContact O-NZ 3.38Å; E276-K279 IonicContact OE1-NZ 3.81Å; E276-K279 PolarHBondContact OE1-NZ 3.13Å; L277-K279 PolarHBondContact O-N 3.15Å; L277-K279 VanDerWaalsContact O-N 3.13Å
280	R	86.8	Confident	93.3	Very high	70 Å²	70	35.3 Å²	35.3	26%	0.264	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-36.9	-165.2	-61	-176.6	-69.4	129.7	-11.2	113.8	E248 E276 L277 V278	E248-R280 IonicContact OE1-CZ 2.79Å; E248-R280 IonicContact OE1-NH1 3.51Å; E248-R280 PolarHBondContact OE1-NH1 3.26Å; E248-R280 IonicContact OE1-NH2 3.17Å; E248-R280 PolarHBondContact OE1-NH2 2.67Å; E248-R280 IonicContact OE2-CZ 3.14Å; E248-R280 IonicContact OE2-NH1 3.23Å; E248-R280 PolarHBondContact OE2-NH1 2.96Å; E248-R280 IonicContact OE2-NH2 3.2Å; E248-R280 PolarHBondContact OE2-NH2 3.18Å; E276-R280 PolarHBondContact O-NE 2.81Å; L277-R280 PolarHBondContact O-N 2.82Å; V278-R280 PolarHBondContact O-N 3.03Å
281	I	84.8	Confident	93.3	Very high	20 Å²	20	35.4 Å²	35.4	10%	0.103	18%	0.179	C	C	.	.			trans	-132.9	121.6	-177.6	-58	178.6	0	0	0	107.2	V202 V245 L277 H283	V202-I281 HydrophobicContact CG2-CG2 3.82Å; V245-I281 HydrophobicContact CG2-CG2 3.96Å; L277-I281 HydrophobicContact CD1-CD1 4.21Å; L277-I281 PolarHBondContact O-N 3.43Å; L277-I281 VanDerWaalsContact O-N 3.15Å; I281-H283 PolarHBondContact O-N 3.49Å; I281-H283 PolarHBondContact O-ND1 3.19Å
282	K	85.6	Confident	93.3	Very high	118 Å²	118	32.2 Å²	32.2	51%	0.513	16%	0.159	S	C	.	.			trans	-65.9	128.1	165.2	-177.5	-164.2	172.8	-82.7	0	107.2	E200 D391	E200-K282 IonicContact OE1-NZ 3.21Å; E200-K282 PolarHBondContact OE1-NZ 3.09Å; E200-K282 WeakPolarHBondContact OE2-CG 3.46Å; E200-K282 IonicContact OE2-NZ 3.23Å; E200-K282 PolarHBondContact OE2-NZ 3.22Å; K282-D391 WeakPolarHBondContact CE-OD2 3.47Å; K282-D391 IonicContact NZ-OD2 3.25Å; K282-D391 PolarHBondContact NZ-OD2 3.14Å
283	H	89.7	Confident	92.8	Very high	13 Å²	13	36.5 Å²	36.5	6%	0.06	18%	0.183	C	C	.	.			trans	-161.5	148.2	177.9	63.9	-79.1	0	0	0	110.2	E200 V202 V245 R273 I281	E200-H283 HydrophobicContact CB-CB 4.43Å; V202-H283 HydrophobicContact CG2-CB 3.6Å; V245-H283 HydrophobicContact CG2-CB 3.86Å; R273-H283 PolarHBondContact NE-NE2 2.84Å; R273-H283 PolarHBondContact NH2-NE2 3Å; I281-H283 PolarHBondContact O-N 3.49Å; I281-H283 PolarHBondContact O-ND1 3.19Å
284	D	91.7	Very high	92.1	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	18%	0.182	C	C	.	.	S	Bend	trans	-84.7	-33.4	-177	-56.7	-32.8	0	0	0	111.3	I199 E200 S312 C388	I199-D284 WeakPolarHBondContact CA-OD2 3.45Å; I199-D284 HydrophobicContact CG2-CB 4.17Å; E200-D284 HydrophobicContact CB-CB 4.41Å; E200-D284 WeakPolarHBondContact CB-OD2 3.5Å; E200-D284 PolarHBondContact N-OD2 3.09Å; E200-D284 PolarHBondContact O-N 3.25Å; D284-S312 VanDerWaalsContact O-CB 3.24Å; D284-S312 WeakPolarHBondContact O-CB 3.44Å; D284-S312 PolarHBondContact O-OG 3.43Å; D284-C388 VanDerWaalsContact CB-SG 3.52Å; D284-C388 VanDerWaalsContact CG-O 3.29Å; D284-C388 VanDerWaalsContact OD1-CB 3.31Å; D284-C388 WeakPolarHBondContact OD1-CB 3.49Å; D284-C388 PolarHBondContact OD1-SG 2.91Å; D284-C388 VanDerWaalsContact OD1-SG 3.34Å; D284-C388 VanDerWaalsContact OD2-O 3.13Å
285	N	95.9	Very high	91.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.5	-171.5	-170.6	-121.7	0	0	0	111.1	I199 E200 L201 V202 H287 L307 S312 N337	I199-N285 HydrophobicContact CG2-CB 4.06Å; E200-N285 PolarHBondContact O-N 2.75Å; L201-N285 WeakPolarHBondContact CA-O 3.48Å; V202-N285 PolarHBondContact N-O 2.72Å; N285-H287 PolarHBondContact OD1-CD2 2.89Å; N285-H287 PolarHBondContact OD1-NE2 2.92Å; N285-L307 HydrophobicContact CB-CD1 3.83Å; N285-S312 WeakPolarHBondContact CA-OG 3.18Å; N285-S312 PolarHBondContact ND2-O 2.7Å; N285-S312 VanDerWaalsContact ND2-O 3.14Å; N285-S312 PolarHBondContact ND2-OG 3.35Å; N285-N337 PolarHBondContact ND2-OD1 3.08Å
286	A	97.6	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.9	176.7	0	0	0	0	0	112.1	V202 F269 R273 L277 S312 V313 G314	V202-A286 HydrophobicContact CB-CB 4.27Å; V202-A286 VanDerWaalsContact O-CA 3.24Å; V202-A286 WeakPolarHBondContact O-CA 3.47Å; F269-A286 HydrophobicContact CE1-CB 4.31Å; F269-A286 HydrophobicContact CZ-CB 4.22Å; R273-A286 HydrophobicContact CG-CB 4.16Å; L277-A286 HydrophobicContact CD2-CB 4.07Å; A286-S312 PolarHBondContact N-O 2.8Å; A286-V313 HydrophobicContact CB-CG1 4.45Å; A286-V313 WeakPolarHBondContact O-CA 3.39Å; A286-G314 PolarHBondContact O-N 2.04Å
287	H	98.5	Very high	89.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.7	177	-75.9	-109.7	0	0	0	112.3	V202 L203 V204 N285 G314 L330 M334 N337	V202-H287 PolarHBondContact O-N 2.97Å; L203-H287 HydrophobicContact CD2-CB 3.74Å; V204-H287 PolarHBondContact N-O 2.76Å; N285-H287 PolarHBondContact OD1-CD2 2.89Å; N285-H287 PolarHBondContact OD1-NE2 2.92Å; H287-G314 WeakPolarHBondContact CA-O 3.5Å; H287-G314 WeakPolarHBondContact ND1-CA 3.45Å; H287-L330 HydrophobicContact CB-CD1 3.65Å; H287-L330 VanDerWaalsContact CG-CD1 3.46Å; H287-M334 WeakPolarHBondContact NE2-CG 3.21Å; H287-N337 PolarHBondContact CE1-OD1 2.81Å; H287-N337 PolarHBondContact NE2-OD1 3.5Å
288	L	98.4	Very high	87.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.7	171.8	-176.4	66.8	0	0	0	109.8	V204 D206 W250 I256 F269 G314 V315 V316	V204-L288 HydrophobicContact CB-CD1 4.1Å; V204-L288 HydrophobicContact CG1-CD1 3.93Å; V204-L288 CarbonylContact O-C 3.58Å; V204-L288 WeakPolarHBondContact O-CA 3.4Å; D206-L288 HydrophobicContact CB-CD1 4.37Å; W250-L288 HydrophobicContact CE3-CD1 4.49Å; W250-L288 HydrophobicContact CH2-CD1 3.89Å; W250-L288 HydrophobicContact CZ3-CD1 3.86Å; I256-L288 HydrophobicContact CD1-CD2 4.02Å; F269-L288 HydrophobicContact CB-CD2 4.43Å; F269-L288 HydrophobicContact CD1-CB 3.99Å; F269-L288 HydrophobicContact CD2-CB 3.92Å; F269-L288 HydrophobicContact CD2-CD1 4.21Å; F269-L288 HydrophobicContact CD2-CD2 4.31Å; F269-L288 HydrophobicContact CD2-CG 4.38Å; F269-L288 HydrophobicContact CE1-CB 4.02Å; F269-L288 HydrophobicContact CE2-CB 3.95Å; F269-L288 HydrophobicContact CE2-CD1 4.17Å; F269-L288 HydrophobicContact CG-CB 3.94Å; F269-L288 HydrophobicContact CG-CD2 4.41Å; F269-L288 HydrophobicContact CZ-CB 4Å; L288-G314 PolarHBondContact N-O 2.85Å; L288-V315 HydrophobicContact CB-CB 4.42Å; L288-V315 HydrophobicContact CB-CG1 4.03Å; L288-V315 HydrophobicContact CD2-CG1 4.28Å; L288-V316 PolarHBondContact O-N 3.46Å
289	I	98.1	Very high	87.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	103.9	168.3	-51	-53.6	0	0	0	107.6	L203 V204 D206 I224 V316 D318	L203-I289 HydrophobicContact CD2-CD1 4.22Å; L203-I289 HydrophobicContact CD2-CG1 4.35Å; V204-I289 PolarHBondContact O-N 3.47Å; D206-I289 PolarHBondContact N-O 2.97Å; I224-I289 HydrophobicContact CD1-CB 4.39Å; I224-I289 HydrophobicContact CD1-CG1 3.89Å; I224-I289 HydrophobicContact CD1-CG2 4.49Å; I289-V316 WeakPolarHBondContact CA-O 3.03Å; I289-V316 HydrophobicContact CD1-CB 3.95Å; I289-V316 HydrophobicContact CD1-CG1 4.3Å; I289-V316 HydrophobicContact CD1-CG2 4.48Å; I289-D318 HydrophobicContact CG2-CB 4.31Å
290	S	97.1	Very high	87.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.5	-176.3	-178.7	0	0	0	0	112.7	D206 I292 V316 D318	D206-S290 VanDerWaalsContact OD2-CA 3.28Å; D206-S290 WeakPolarHBondContact OD2-CA 3.07Å; D206-S290 VanDerWaalsContact OD2-CB 3.28Å; D206-S290 WeakPolarHBondContact OD2-CB 3.42Å; D206-S290 PolarHBondContact OD2-OG 2.95Å; S290-I292 VanDerWaalsContact C-N 3.34Å; S290-I292 VanDerWaalsContact OG-CG2 3.27Å; S290-I292 WeakPolarHBondContact OG-CG2 3.02Å; S290-I292 PolarHBondContact OG-N 2.04Å; S290-I292 VanDerWaalsContact OG-N 3.09Å; S290-V316 PolarHBondContact N-O 2.97Å; S290-D318 WeakPolarHBondContact O-CB 3.16Å; S290-D318 PolarHBondContact O-N 2.81Å
291	G	94.5	Very high	86.8	Confident	19 Å²	19	28.7 Å²	28.7	20%	0.196	17%	0.172	C	C	.	.			trans	-89	7	169.5	0	0	0	0	0	114.3	D206 R208	D206-G291 PolarHBondContact OD1-N 2.82Å; D206-G291 PolarHBondContact OD2-N 2.86Å; R208-G291 WeakPolarHBondContact CD-O 3.43Å; R208-G291 WeakPolarHBondContact CG-O 3.02Å
292	I	92.9	Very high	86.7	Confident	11 Å²	11	28 Å²	28	6%	0.056	17%	0.169	C	C	.	.	S	Bend	trans	-80.3	161.1	172.4	-149.3	157.1	0	0	0	111	V258 S290 F294 Q317	V258-I292 HydrophobicContact CG1-CB 4.16Å; V258-I292 HydrophobicContact CG1-CD1 4Å; V258-I292 HydrophobicContact CG1-CG2 4.11Å; S290-I292 VanDerWaalsContact C-N 3.34Å; S290-I292 VanDerWaalsContact OG-CG2 3.27Å; S290-I292 WeakPolarHBondContact OG-CG2 3.02Å; S290-I292 PolarHBondContact OG-N 2.04Å; S290-I292 VanDerWaalsContact OG-N 3.09Å; I292-F294 HydrophobicContact CG2-CD1 3.62Å; I292-F294 HydrophobicContact CG2-CE1 3.62Å; I292-Q317 WeakPolarHBondContact O-CG 3.4Å
293	D	86.8	Confident	86.3	Confident	110 Å²	110	23.1 Å²	23.1	59%	0.588	15%	0.148	S	C	*	.			trans	-95.5	115.8	170.9	-161.2	34.4	0	0	0	107.4	N260 Q317	N260-D293 PolarHBondContact ND2-O 2.92Å; D293-Q317 PolarHBondContact OD1-NE2 2.91Å
294	F	81.8	Confident	85.7	Confident	6 Å²	6	23.2 Å²	23.2	3%	0.026	15%	0.148	C	C	.	.			trans	-74.7	160.9	-178.3	-67.6	-36.8	0	0	0	111.5	N260 A262 N265 I292 G296 T298 V315 Q317	N260-F294 CarbonylContact O-C 3.46Å; N260-F294 WeakPolarHBondContact O-CA 3.29Å; A262-F294 HydrophobicContact CB-CB 4.31Å; A262-F294 HydrophobicContact CB-CD1 4.17Å; A262-F294 HydrophobicContact CB-CD2 3.95Å; A262-F294 HydrophobicContact CB-CE1 4.48Å; A262-F294 HydrophobicContact CB-CE2 4.26Å; A262-F294 HydrophobicContact CB-CG 3.92Å; N265-F294 HydrophobicContact CB-CE1 4.4Å; I292-F294 HydrophobicContact CG2-CD1 3.62Å; I292-F294 HydrophobicContact CG2-CE1 3.62Å; F294-G296 PolarHBondContact O-N 2.8Å; F294-T298 HydrophobicContact CB-CG2 4.48Å; F294-T298 WeakPolarHBondContact CB-O 3.45Å; F294-T298 HydrophobicContact CD2-CG2 4.49Å; F294-V315 HydrophobicContact CE2-CG2 4.11Å; F294-V315 HydrophobicContact CZ-CB 4.14Å; F294-V315 HydrophobicContact CZ-CG2 3.91Å; F294-Q317 HydrophobicContact CD2-CB 3.77Å; F294-Q317 HydrophobicContact CE2-CB 3.85Å
295	E	73.6	Confident	85	Confident	127 Å²	127	23 Å²	23	59%	0.593	15%	0.149	S	C	*	.	S	Bend	trans	-67.4	134.3	-174.8	-169.3	171.5	-179.2	0	0	113.2	N260 A297 T298	N260-E295 PolarHBondContact O-N 2.91Å; E295-A297 PolarHBondContact O-N 3.12Å; E295-T298 WeakPolarHBondContact O-CB 3.39Å; E295-T298 PolarHBondContact O-N 3.44Å; E295-T298 PolarHBondContact O-OG1 3.22Å
296	G	73	Confident	84.3	Confident	80 Å²	80	23.7 Å²	23.7	83%	0.825	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	-113.2	174.1	0	0	0	0	0	112.7	F294	F294-G296 PolarHBondContact O-N 2.8Å
297	A	69.3	Low	83.7	Confident	36 Å²	36	23.9 Å²	23.9	30%	0.298	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	3.4	177.3	0	0	0	0	0	111.9	P162 A163 V164 E295 V299	P162-A297 WeakPolarHBondContact O-CB 3.3Å; A163-A297 CarbonylContact C-O 3.46Å; A163-A297 VanDerWaalsContact CA-O 3.23Å; A163-A297 WeakPolarHBondContact CA-O 3.48Å; V164-A297 HydrophobicContact CG1-CB 4.48Å; V164-A297 HydrophobicContact CG2-CB 3.88Å; V164-A297 PolarHBondContact N-O 3.14Å; E295-A297 PolarHBondContact O-N 3.12Å; A297-V299 PolarHBondContact O-N 2.84Å
298	T	68.6	Low	82.9	Confident	28 Å²	28	26 Å²	26	17%	0.172	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132.4	-173.5	-47	0	0	0	0	110.8	V164 A262 F294 E295 Q317	V164-T298 CarbonylContact O-C 3.55Å; V164-T298 WeakPolarHBondContact O-CA 3.42Å; A262-T298 HydrophobicContact CB-CG2 3.71Å; F294-T298 HydrophobicContact CB-CG2 4.48Å; F294-T298 WeakPolarHBondContact CB-O 3.45Å; F294-T298 HydrophobicContact CD2-CG2 4.49Å; E295-T298 WeakPolarHBondContact O-CB 3.39Å; E295-T298 PolarHBondContact O-N 3.44Å; E295-T298 PolarHBondContact O-OG1 3.22Å; T298-Q317 PolarHBondContact O-OE1 3.37Å
299	V	83.9	Confident	82.1	Confident	9 Å²	9	28.4 Å²	28.4	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-7.2	172.2	-68.6	0	0	0	0	114.3	A163 V164 A297 Q317 H319 T329 L361	A163-V299 HydrophobicContact CB-CG1 3.74Å; A163-V299 HydrophobicContact CB-CG2 4.45Å; V164-V299 WeakPolarHBondContact O-CG2 3.02Å; V164-V299 PolarHBondContact O-N 2.93Å; A297-V299 PolarHBondContact O-N 2.84Å; V299-Q317 HydrophobicContact CB-CB 4.49Å; V299-Q317 WeakPolarHBondContact O-CB 3.5Å; V299-Q317 PolarHBondContact O-N 3.06Å; V299-H319 HydrophobicContact CG1-CB 3.94Å; V299-T329 HydrophobicContact CG2-CG2 4.15Å; V299-L361 HydrophobicContact CG1-CD1 4.41Å; V299-L361 HydrophobicContact CG2-CD1 3.93Å; V299-L361 HydrophobicContact CG2-CD2 4.28Å; V299-L361 HydrophobicContact CG2-CG 3.9Å
300	G	81.9	Confident	81.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	156.6	177.8	0	0	0	0	0	111.6	G166 V315 E333	G166-G300 PolarHBondContact N-O 2.99Å; G300-V315 CarbonylContact C-O 3.58Å; G300-V315 VanDerWaalsContact CA-O 3.23Å; G300-V315 WeakPolarHBondContact CA-O 3.39Å; G300-E333 VanDerWaalsContact C-CD 3.46Å; G300-E333 VanDerWaalsContact C-OE1 3.28Å; G300-E333 WeakPolarHBondContact CA-OE1 2.91Å
301	L	79.1	Confident	80.4	Confident	15 Å²	15	32.8 Å²	32.8	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	131.4	175.5	-171.8	76.2	0	0	0	110.4	G166 V167 A262 N263 L266 G314 V315 E333	G166-L301 WeakPolarHBondContact O-CD1 3.35Å; V167-L301 HydrophobicContact CB-CD1 4.47Å; V167-L301 HydrophobicContact CG2-CD1 3.78Å; V167-L301 HydrophobicContact CG2-CG 4.47Å; A262-L301 HydrophobicContact CB-CB 4.17Å; A262-L301 HydrophobicContact CB-CD2 4.26Å; N263-L301 HydrophobicContact CB-CD2 4.16Å; L266-L301 HydrophobicContact CB-CD2 4.08Å; L266-L301 HydrophobicContact CD2-CB 4.45Å; L266-L301 HydrophobicContact CD2-CD2 3.68Å; L266-L301 HydrophobicContact CD2-CG 3.75Å; L301-G314 CarbonylContact O-C 3.56Å; L301-G314 WeakPolarHBondContact O-CA 3.4Å; L301-V315 HydrophobicContact CB-CG2 3.98Å; L301-V315 PolarHBondContact N-O 3.3Å; L301-V315 PolarHBondContact O-N 3.44Å; L301-E333 VanDerWaalsContact C-OE2 3.23Å; L301-E333 WeakPolarHBondContact CA-OE2 3.38Å; L301-E333 PolarHBondContact N-OE2 2.75Å
302	A	83.4	Confident	80.3	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.7	175.3	0	0	0	0	0	112.9	V167 E333 H336	V167-A302 VanDerWaalsContact CG2-O 3.24Å; V167-A302 WeakPolarHBondContact CG2-O 3.41Å; A302-E333 HydrophobicContact CB-CB 3.84Å; A302-E333 WeakPolarHBondContact CB-O 3.28Å; A302-E333 PolarHBondContact N-OE2 3.44Å; A302-E333 VanDerWaalsContact N-OE2 3.09Å; A302-H336 HydrophobicContact CB-CB 4.32Å
303	Y	75.6	Confident	80.3	Confident	17 Å²	17	31.4 Å²	31.4	7%	0.067	19%	0.193	C	C	.	.			trans	-74.9	139.6	177	-56.7	-82.2	0	0	0	111.7	E173 L266 E267 K270 T306 H311 V313 H336 N337	E173-Y303 WeakPolarHBondContact OE2-CE1 3.47Å; L266-Y303 HydrophobicContact CD1-CD2 4.14Å; L266-Y303 HydrophobicContact CD1-CE2 3.77Å; L266-Y303 HydrophobicContact CD2-CD1 4.43Å; L266-Y303 HydrophobicContact CD2-CD2 4.01Å; L266-Y303 HydrophobicContact CD2-CE1 4.15Å; L266-Y303 HydrophobicContact CD2-CE2 3.72Å; L266-Y303 HydrophobicContact CD2-CG 4.36Å; L266-Y303 HydrophobicContact CG-CD2 4.19Å; L266-Y303 HydrophobicContact CG-CE2 3.52Å; E267-Y303 PolarHBondContact OE2-OH 3.41Å; K270-Y303 HydrophobicContact CB-CE2 4.3Å; K270-Y303 HydrophobicContact CD-CE2 3.89Å; K270-Y303 HydrophobicContact CG-CE2 4.39Å; K270-Y303 PolarHBondContact NZ-OH 3.03Å; Y303-T306 WeakPolarHBondContact CB-OG1 3.45Å; Y303-T306 PolarHBondContact O-OG1 3Å; Y303-H311 HydrophobicContact CD2-CB 4.03Å; Y303-H311 WeakPolarHBondContact CD2-O 3.3Å; Y303-H311 AromaticContact CE1-CD2 3.87Å; Y303-H311 HydrophobicContact CE2-CB 4.5Å; Y303-H311 HydrophobicContact CG-CB 4.15Å; Y303-H311 AromaticContact CZ-CD2 3.89Å; Y303-V313 HydrophobicContact CD2-CG2 3.88Å; Y303-V313 HydrophobicContact CE2-CG2 3.69Å; Y303-H336 CarbonylContact O-C 3.55Å; Y303-N337 WeakPolarHBondContact O-CA 3.13Å; Y303-N337 PolarHBondContact O-N 3Å; Y303-N337 PolarHBondContact O-ND2 2.98Å
304	I	78.6	Confident	80.7	Confident	14 Å²	14	26.1 Å²	26.1	7%	0.072	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	125.2	-175.3	-53	173.8	0	0	0	111.6	V167 T306 H336	V167-I304 HydrophobicContact CG1-CD1 3.67Å; V167-I304 HydrophobicContact CG1-CG1 3.87Å; I304-T306 PolarHBondContact O-N 2.62Å; I304-H336 CarbonylContact C-O 3.56Å; I304-H336 VanDerWaalsContact CA-O 3.28Å; I304-H336 WeakPolarHBondContact CA-O 2.82Å; I304-H336 HydrophobicContact CG1-CB 4.31Å
305	G	77	Confident	81.4	Confident	6 Å²	6	25.9 Å²	25.9	6%	0.062	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	31	171.1	0	0	0	0	0	114.5	H336 N337 Y380 R384	G305-H336 PolarHBondContact N-O 3.04Å; G305-N337 CarbonylContact C-O 3.42Å; G305-N337 VanDerWaalsContact CA-O 3.32Å; G305-N337 WeakPolarHBondContact CA-O 3.36Å; G305-N337 PolarHBondContact N-O 2.93Å; G305-Y380 WeakPolarHBondContact O-CE2 3.43Å; G305-R384 PolarHBondContact O-NE 3.29Å; G305-R384 PolarHBondContact O-NH2 2.98Å
306	T	79.9	Confident	82.5	Confident	14 Å²	14	19.8 Å²	19.8	9%	0.086	14%	0.136	C	C	.	.			trans	-109.6	7.2	-174.4	57.2	0	0	0	0	114.4	Y303 I304 C308 T309 H311 S312 N337	Y303-T306 WeakPolarHBondContact CB-OG1 3.45Å; Y303-T306 PolarHBondContact O-OG1 3Å; I304-T306 PolarHBondContact O-N 2.62Å; T306-C308 PolarHBondContact O-N 2.77Å; T306-T309 PolarHBondContact O-N 2.72Å; T306-T309 PolarHBondContact O-OG1 3.01Å; T306-H311 VanDerWaalsContact CB-O 3.25Å; T306-H311 WeakPolarHBondContact CB-O 3Å; T306-H311 HydrophobicContact CG2-CB 3.71Å; T306-H311 PolarHBondContact OG1-O 3.47Å; T306-S312 WeakPolarHBondContact O-CA 3.4Å; T306-S312 VanDerWaalsContact O-CB 3.3Å; T306-S312 WeakPolarHBondContact O-CB 3.32Å; T306-S312 PolarHBondContact O-N 3.47Å; T306-N337 PolarHBondContact N-O 2.92Å; T306-N337 PolarHBondContact OG1-ND2 3.2Å
307	L	86.3	Confident	83.4	Confident	4 Å²	4	16.8 Å²	16.8	2%	0.021	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	144.2	174	-151.7	94.2	0	0	0	111.3	I199 N285 T309 S312 N337 L338 Y380 I389	I199-L307 HydrophobicContact CD1-CD1 4.48Å; I199-L307 HydrophobicContact CD1-CD2 4.1Å; I199-L307 HydrophobicContact CG1-CD2 4.47Å; N285-L307 HydrophobicContact CB-CD1 3.83Å; L307-T309 PolarHBondContact O-N 3.3Å; L307-S312 WeakPolarHBondContact CA-OG 3.35Å; L307-N337 HydrophobicContact CD1-CB 3.97Å; L307-N337 PolarHBondContact N-O 3.47Å; L307-N337 VanDerWaalsContact N-O 3.16Å; L307-L338 HydrophobicContact CD1-CD2 4.32Å; L307-L338 HydrophobicContact CD1-CG 4.46Å; L307-L338 HydrophobicContact CD2-CD2 3.79Å; L307-L338 HydrophobicContact CG-CD2 4.49Å; L307-Y380 WeakPolarHBondContact CB-OH 3.23Å; L307-Y380 PolarHBondContact N-OH 3.36Å; L307-Y380 PolarHBondContact O-OH 2.71Å; L307-I389 HydrophobicContact CD2-CG2 3.3Å
308	C	81.4	Confident	84.6	Confident	44 Å²	44	15.4 Å²	15.4	30%	0.297	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	1.7	-169.9	-48.8	0	0	0	0	116.8	T306 P386 C388	T306-C308 PolarHBondContact O-N 2.77Å; C308-P386 HydrophobicContact CB-CB 4.37Å; C308-P386 WeakPolarHBondContact SG-CB 3.45Å; C308-C388 WeakPolarHBondContact CA-SG 3.47Å; C308-C388 HydrophobicContact CB-CB 3.89Å; C308-C388 WeakPolarHBondContact CB-SG 3.41Å; C308-C388 WeakPolarHBondContact SG-CB 3.06Å; C308-C388 PolarHBondContact SG-N 2.83Å; C308-C388 VanDerWaalsContact SG-N 3.37Å; C308-C388 CovalentContact SG-SG 2.02Å; C308-C388 PolarHBondContact SG-SG 3.41Å
309	T	81	Confident	85.5	Confident	51 Å²	51	16.3 Å²	16.3	31%	0.313	9%	0.09	S	C	.	.	S	Bend	trans	-100.7	179.7	174.6	89.1	0	0	0	0	112.7	R273 T306 L307 H311 S312	R273-T309 PolarHBondContact NH1-O 2.87Å; T306-T309 PolarHBondContact O-N 2.72Å; T306-T309 PolarHBondContact O-OG1 3.01Å; L307-T309 PolarHBondContact O-N 3.3Å; T309-H311 PolarHBondContact O-N 2.69Å; T309-H311 PolarHBondContact OG1-N 2.85Å; T309-S312 WeakPolarHBondContact O-CB 3.5Å; T309-S312 PolarHBondContact O-N 2.86Å
310	D	77.2	Confident	85.7	Confident	59 Å²	59	17.5 Å²	17.5	32%	0.316	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.2	166.8	67.9	-35.7	0	0	0	112.6	R273 N274 S312	R273-D310 PolarHBondContact NH1-O 2.81Å; N274-D310 PolarHBondContact ND2-O 3.08Å; N274-D310 PolarHBondContact OD1-O 2.81Å; N274-D310 VanDerWaalsContact OD1-O 3.1Å; D310-S312 VanDerWaalsContact C-N 3.27Å; D310-S312 PolarHBondContact O-N 3.21Å
311	H	82.6	Confident	85.6	Confident	35 Å²	35	23.1 Å²	23.1	16%	0.162	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	13.9	174	-64.9	71	0	0	0	113.2	E173 K270 Y303 T306 T309 V313	E173-H311 IonicContact OE2-CD2 3.12Å; E173-H311 IonicContact OE2-NE2 2.68Å; K270-H311 HydrophobicContact CD-CB 4.45Å; K270-H311 WeakPolarHBondContact CD-CD2 3.24Å; K270-H311 WeakPolarHBondContact CD-NE2 3.47Å; K270-H311 PolarHBondContact NZ-NE2 3.38Å; Y303-H311 HydrophobicContact CD2-CB 4.03Å; Y303-H311 WeakPolarHBondContact CD2-O 3.3Å; Y303-H311 AromaticContact CE1-CD2 3.87Å; Y303-H311 HydrophobicContact CE2-CB 4.5Å; Y303-H311 HydrophobicContact CG-CB 4.15Å; Y303-H311 AromaticContact CZ-CD2 3.89Å; T306-H311 VanDerWaalsContact CB-O 3.25Å; T306-H311 WeakPolarHBondContact CB-O 3Å; T306-H311 HydrophobicContact CG2-CB 3.71Å; T306-H311 PolarHBondContact OG1-O 3.47Å; T309-H311 PolarHBondContact O-N 2.69Å; T309-H311 PolarHBondContact OG1-N 2.85Å; H311-V313 PolarHBondContact O-N 3.27Å
312	S	92.5	Very high	85.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.			trans	-75.9	62.3	176	-168.9	0	0	0	0	112.1	D284 N285 A286 T306 L307 T309 D310	D284-S312 VanDerWaalsContact O-CB 3.24Å; D284-S312 WeakPolarHBondContact O-CB 3.44Å; D284-S312 PolarHBondContact O-OG 3.43Å; N285-S312 WeakPolarHBondContact CA-OG 3.18Å; N285-S312 PolarHBondContact ND2-O 2.7Å; N285-S312 VanDerWaalsContact ND2-O 3.14Å; N285-S312 PolarHBondContact ND2-OG 3.35Å; A286-S312 PolarHBondContact N-O 2.8Å; T306-S312 WeakPolarHBondContact O-CA 3.4Å; T306-S312 VanDerWaalsContact O-CB 3.3Å; T306-S312 WeakPolarHBondContact O-CB 3.32Å; T306-S312 PolarHBondContact O-N 3.47Å; L307-S312 WeakPolarHBondContact CA-OG 3.35Å; T309-S312 WeakPolarHBondContact O-CB 3.5Å; T309-S312 PolarHBondContact O-N 2.86Å; D310-S312 VanDerWaalsContact C-N 3.27Å; D310-S312 PolarHBondContact O-N 3.21Å
313	V	93.4	Very high	85.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.8	-179.6	-63.4	0	0	0	0	113	L266 F269 K270 R273 A286 Y303 H311 N337	L266-V313 HydrophobicContact CD1-CG2 3.86Å; F269-V313 HydrophobicContact CD1-CB 4.09Å; F269-V313 HydrophobicContact CD1-CG1 4.28Å; F269-V313 HydrophobicContact CE1-CB 4.19Å; F269-V313 HydrophobicContact CE1-CG1 4.17Å; K270-V313 HydrophobicContact CB-CG2 3.82Å; K270-V313 HydrophobicContact CG-CG2 4.16Å; R273-V313 HydrophobicContact CB-CG1 4.07Å; R273-V313 HydrophobicContact CG-CG1 3.8Å; A286-V313 HydrophobicContact CB-CG1 4.45Å; A286-V313 WeakPolarHBondContact O-CA 3.39Å; Y303-V313 HydrophobicContact CD2-CG2 3.88Å; Y303-V313 HydrophobicContact CE2-CG2 3.69Å; H311-V313 PolarHBondContact O-N 3.27Å; V313-N337 PolarHBondContact O-ND2 2.8Å
314	G	94.3	Very high	85.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	170.5	166	0	0	0	0	0	112.4	A286 H287 L288 L301	A286-G314 PolarHBondContact O-N 2.04Å; H287-G314 WeakPolarHBondContact CA-O 3.5Å; H287-G314 WeakPolarHBondContact ND1-CA 3.45Å; L288-G314 PolarHBondContact N-O 2.85Å; L301-G314 CarbonylContact O-C 3.56Å; L301-G314 WeakPolarHBondContact O-CA 3.4Å
315	V	96	Very high	86.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.3	172.7	-56.4	0	0	0	0	109.7	A262 N265 L266 F269 L288 F294 G300 L301	A262-V315 HydrophobicContact CB-CG2 4.48Å; N265-V315 HydrophobicContact CB-CG1 4.29Å; L266-V315 HydrophobicContact CB-CG1 4.13Å; L266-V315 HydrophobicContact CB-CG2 4.27Å; L266-V315 HydrophobicContact CD1-CG1 4.07Å; F269-V315 HydrophobicContact CB-CG1 4.36Å; F269-V315 HydrophobicContact CD1-CG1 4.45Å; L288-V315 HydrophobicContact CB-CB 4.42Å; L288-V315 HydrophobicContact CB-CG1 4.03Å; L288-V315 HydrophobicContact CD2-CG1 4.28Å; F294-V315 HydrophobicContact CE2-CG2 4.11Å; F294-V315 HydrophobicContact CZ-CB 4.14Å; F294-V315 HydrophobicContact CZ-CG2 3.91Å; G300-V315 CarbonylContact C-O 3.58Å; G300-V315 VanDerWaalsContact CA-O 3.23Å; G300-V315 WeakPolarHBondContact CA-O 3.39Å; L301-V315 HydrophobicContact CB-CG2 3.98Å; L301-V315 PolarHBondContact N-O 3.3Å; L301-V315 PolarHBondContact O-N 3.44Å
316	V	97	Very high	86.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.9	-174.3	178	0	0	0	0	108.8	L288 I289 S290 V326 T329 L330 E333	L288-V316 PolarHBondContact O-N 3.46Å; I289-V316 WeakPolarHBondContact CA-O 3.03Å; I289-V316 HydrophobicContact CD1-CB 3.95Å; I289-V316 HydrophobicContact CD1-CG1 4.3Å; I289-V316 HydrophobicContact CD1-CG2 4.48Å; S290-V316 PolarHBondContact N-O 2.97Å; V316-V326 HydrophobicContact CG1-CG1 3.84Å; V316-T329 HydrophobicContact CG1-CG2 3.9Å; V316-L330 HydrophobicContact CG2-CB 4.38Å; V316-L330 HydrophobicContact CG2-CD1 4.09Å; V316-E333 HydrophobicContact CG2-CB 4.35Å; V316-E333 HydrophobicContact CG2-CG 3.96Å
317	Q	93.4	Very high	87.2	Confident	16 Å²	16	23.2 Å²	23.2	8%	0.075	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136	172.1	-179.7	170.8	-22.3	0	0	110.2	I292 D293 F294 T298 V299 H319	I292-Q317 WeakPolarHBondContact O-CG 3.4Å; D293-Q317 PolarHBondContact OD1-NE2 2.91Å; F294-Q317 HydrophobicContact CD2-CB 3.77Å; F294-Q317 HydrophobicContact CE2-CB 3.85Å; T298-Q317 PolarHBondContact O-OE1 3.37Å; V299-Q317 HydrophobicContact CB-CB 4.49Å; V299-Q317 WeakPolarHBondContact O-CB 3.5Å; V299-Q317 PolarHBondContact O-N 3.06Å; Q317-H319 HydrophobicContact CB-CB 4.44Å; Q317-H319 HydrophobicContact CG-CB 3.97Å; Q317-H319 PolarHBondContact O-CD2 2.72Å; Q317-H319 PolarHBondContact O-N 2.94Å
318	D	94.3	Very high	87.3	Confident	7 Å²	7	23.3 Å²	23.3	4%	0.037	13%	0.13	C	C	.	.			trans	-75.3	60.3	168.8	-164.2	62	0	0	0	110.5	K212 R223 I289 S290 N320	K212-D318 WeakPolarHBondContact CD-OD2 3.16Å; K212-D318 PolarHBondContact NZ-O 2.87Å; K212-D318 IonicContact NZ-OD2 3.07Å; K212-D318 PolarHBondContact NZ-OD2 2.84Å; R223-D318 IonicContact CZ-OD1 3.73Å; R223-D318 IonicContact CZ-OD2 2.75Å; R223-D318 IonicContact NE-OD1 2.78Å; R223-D318 PolarHBondContact NE-OD1 3.24Å; R223-D318 IonicContact NE-OD2 2.74Å; R223-D318 PolarHBondContact NE-OD2 3.35Å; R223-D318 VanDerWaalsContact NH2-CG 3.3Å; R223-D318 IonicContact NH2-OD1 3.35Å; R223-D318 PolarHBondContact NH2-OD1 2.83Å; R223-D318 IonicContact NH2-OD2 2.78Å; R223-D318 PolarHBondContact NH2-OD2 3.1Å; I289-D318 HydrophobicContact CG2-CB 4.31Å; S290-D318 WeakPolarHBondContact O-CB 3.16Å; S290-D318 PolarHBondContact O-N 2.81Å; D318-N320 PolarHBondContact O-N 3.03Å
319	H	87.9	Confident	87.8	Confident	47 Å²	47	21.3 Å²	21.3	22%	0.218	12%	0.116	C	C	.	.			trans	-72.9	-21.4	-165.1	59.6	81.3	0	0	0	114.9	V299 Q317 T329 L361	V299-H319 HydrophobicContact CG1-CB 3.94Å; Q317-H319 HydrophobicContact CB-CB 4.44Å; Q317-H319 HydrophobicContact CG-CB 3.97Å; Q317-H319 PolarHBondContact O-CD2 2.72Å; Q317-H319 PolarHBondContact O-N 2.94Å; H319-T329 PolarHBondContact NE2-OG1 2.58Å; H319-L361 VanDerWaalsContact CE1-CD1 3.46Å; H319-L361 WeakPolarHBondContact CE1-CD1 3.06Å
320	N	86.2	Confident	88.6	Confident	35 Å²	35	18.9 Å²	18.9	19%	0.187	10%	0.102	C	C	.	.			trans	-123.5	154.2	-173.8	-156.1	-88.9	0	0	0	112.4	R223 D318 R322 A325 V326	R223-N320 PolarHBondContact NH2-O 2.71Å; D318-N320 PolarHBondContact O-N 3.03Å; N320-R322 VanDerWaalsContact C-N 3.32Å; N320-R322 WeakPolarHBondContact OD1-CB 3.19Å; N320-R322 PolarHBondContact OD1-N 2.64Å; N320-A325 HydrophobicContact CB-CB 3.74Å; N320-V326 HydrophobicContact CB-CG2 4.45Å
321	T	81.7	Confident	89.4	Confident	118 Å²	118	16.1 Å²	16.1	72%	0.724	9%	0.087	S	C	*	.	S	Bend	trans	-67	-34.5	170.7	49.6	0	0	0	0	111.9	R223 A323	R223-T321 PolarHBondContact NH1-O 2.92Å; T321-A323 PolarHBondContact O-N 3.19Å
322	R	78.9	Confident	89.9	Confident	46 Å²	46	15 Å²	15	17%	0.174	8%	0.081	C	C	.	.	S	Bend	trans	-79.5	115.1	-178.4	-57.8	171.7	-178.3	163.6	-1	110.9	L138 D157 N320 I324 A325	L138-R322 HydrophobicContact CD2-CG 4.28Å; D157-R322 VanDerWaalsContact CG-NH2 3.28Å; D157-R322 IonicContact OD1-CZ 2.59Å; D157-R322 IonicContact OD1-NH1 3.29Å; D157-R322 IonicContact OD1-NH2 3.76Å; D157-R322 PolarHBondContact OD1-NH2 3.27Å; D157-R322 IonicContact OD2-CZ 3.28Å; D157-R322 IonicContact OD2-NH1 2.68Å; D157-R322 PolarHBondContact OD2-NH1 2.86Å; D157-R322 IonicContact OD2-NH2 2.67Å; D157-R322 PolarHBondContact OD2-NH2 2.87Å; N320-R322 VanDerWaalsContact C-N 3.32Å; N320-R322 WeakPolarHBondContact OD1-CB 3.19Å; N320-R322 PolarHBondContact OD1-N 2.64Å; R322-I324 HydrophobicContact CB-CG1 4.07Å; R322-I324 PolarHBondContact O-N 3.35Å; R322-I324 VanDerWaalsContact O-N 3.16Å; R322-A325 WeakPolarHBondContact O-CB 3.26Å; R322-A325 PolarHBondContact O-N 2.91Å
323	A	83.3	Confident	90	Very high	6 Å²	6	15 Å²	15	5%	0.05	8%	0.081	C	C	.	.	H	α-helix	trans	-51.4	-39.5	179.8	0	0	0	0	0	113.3	E226 I227 T321 A325 V326 G327	E226-A323 HydrophobicContact CB-CB 3.58Å; I227-A323 HydrophobicContact CG1-CB 4.12Å; I227-A323 WeakPolarHBondContact CG1-O 3.25Å; T321-A323 PolarHBondContact O-N 3.19Å; A323-A325 PolarHBondContact O-N 3.41Å; A323-V326 PolarHBondContact O-N 2.88Å; A323-G327 PolarHBondContact O-N 3.19Å
324	I	79.2	Confident	90.2	Very high	11 Å²	11	15 Å²	15	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-24.7	177.7	56.9	165.9	0	0	0	114.9	Y129 L138 F230 R322 A328 I365	Y129-I324 HydrophobicContact CD2-CD1 3.68Å; Y129-I324 HydrophobicContact CG-CD1 4.11Å; L138-I324 HydrophobicContact CD1-CD1 3.85Å; F230-I324 HydrophobicContact CB-CG2 4.35Å; F230-I324 HydrophobicContact CD2-CB 3.71Å; F230-I324 HydrophobicContact CD2-CG2 3.73Å; F230-I324 HydrophobicContact CE2-CB 4.07Å; F230-I324 HydrophobicContact CE2-CG2 4.47Å; F230-I324 HydrophobicContact CG-CB 4.33Å; F230-I324 HydrophobicContact CG-CG2 4.36Å; R322-I324 HydrophobicContact CB-CG1 4.07Å; R322-I324 PolarHBondContact O-N 3.35Å; R322-I324 VanDerWaalsContact O-N 3.16Å; I324-A328 PolarHBondContact O-N 2.88Å; I324-I365 HydrophobicContact CD1-CD1 3.74Å; I324-I365 HydrophobicContact CG1-CD1 3.9Å
325	A	84.4	Confident	90.1	Very high	9 Å²	9	15 Å²	15	7%	0.074	8%	0.081	C	C	.	.	H	α-helix	trans	-80	-39.1	177.6	0	0	0	0	0	111.3	N320 R322 A323 G327 A328 T329 I365	N320-A325 HydrophobicContact CB-CB 3.74Å; R322-A325 WeakPolarHBondContact O-CB 3.26Å; R322-A325 PolarHBondContact O-N 2.91Å; A323-A325 PolarHBondContact O-N 3.41Å; A325-G327 VanDerWaalsContact C-N 3.34Å; A325-A328 PolarHBondContact O-N 2.98Å; A325-T329 PolarHBondContact O-N 3.23Å; A325-T329 PolarHBondContact O-OG1 3.4Å; A325-I365 HydrophobicContact CB-CD1 3.85Å; A325-I365 HydrophobicContact CB-CG1 4.19Å
326	V	91	Very high	89.5	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.2	-35.5	172.5	-177.3	0	0	0	0	110.4	I227 V316 N320 A323 A328 T329 L330	I227-V326 HydrophobicContact CD1-CB 4.07Å; I227-V326 HydrophobicContact CD1-CG1 3.82Å; I227-V326 HydrophobicContact CG1-CB 4.28Å; I227-V326 HydrophobicContact CG1-CG1 4.42Å; V316-V326 HydrophobicContact CG1-CG1 3.84Å; N320-V326 HydrophobicContact CB-CG2 4.45Å; A323-V326 PolarHBondContact O-N 2.88Å; V326-A328 VanDerWaalsContact C-N 3.3Å; V326-A328 PolarHBondContact O-N 3.05Å; V326-T329 PolarHBondContact O-N 2.84Å; V326-L330 PolarHBondContact O-N 2.8Å
327	G	89.6	Confident	89.3	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-29.9	170.5	0	0	0	0	0	114.3	V231 A323 A325 A331	V231-G327 WeakPolarHBondContact CG2-O 3.36Å; A323-G327 PolarHBondContact O-N 3.19Å; A325-G327 VanDerWaalsContact C-N 3.34Å; G327-A331 WeakPolarHBondContact O-CB 3.31Å; G327-A331 PolarHBondContact O-N 2.7Å
328	A	88.6	Confident	89.2	Confident	5 Å²	5	14.3 Å²	14.3	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-71.5	-37.5	171.6	0	0	0	0	0	112.3	F230 I324 A325 V326 A331 H332 I365 P366	F230-A328 HydrophobicContact CE1-CB 3.77Å; F230-A328 HydrophobicContact CZ-CB 4.07Å; I324-A328 PolarHBondContact O-N 2.88Å; A325-A328 PolarHBondContact O-N 2.98Å; V326-A328 VanDerWaalsContact C-N 3.3Å; V326-A328 PolarHBondContact O-N 3.05Å; A328-A331 PolarHBondContact O-N 3.01Å; A328-H332 PolarHBondContact O-N 3.26Å; A328-I365 HydrophobicContact CB-CG2 3.71Å; A328-P366 HydrophobicContact CB-CG 4.29Å
329	T	91.6	Very high	88.5	Confident	3 Å²	3	14.7 Å²	14.7	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-66.9	-43.1	171.8	-53.8	0	0	0	0	111.5	V299 V316 H319 A325 V326 A331 H332 E333	V299-T329 HydrophobicContact CG2-CG2 4.15Å; V316-T329 HydrophobicContact CG1-CG2 3.9Å; H319-T329 PolarHBondContact NE2-OG1 2.58Å; A325-T329 PolarHBondContact O-N 3.23Å; A325-T329 PolarHBondContact O-OG1 3.4Å; V326-T329 PolarHBondContact O-N 2.84Å; T329-A331 VanDerWaalsContact C-N 3.32Å; T329-A331 PolarHBondContact O-N 3.02Å; T329-H332 WeakPolarHBondContact O-CA 3.1Å; T329-H332 VanDerWaalsContact O-CB 3.27Å; T329-H332 WeakPolarHBondContact O-CB 3.01Å; T329-H332 PolarHBondContact O-N 3.49Å; T329-E333 HydrophobicContact CG2-CG 4.41Å; T329-E333 WeakPolarHBondContact O-CG 3.45Å; T329-E333 PolarHBondContact O-N 2.68Å
330	L	96.5	Very high	88.5	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-41.2	174.2	-179.8	59	0	0	0	111.9	L203 I227 V231 H287 V316 V326 H332 E333 M334	L203-L330 HydrophobicContact CD1-CD2 4.1Å; L203-L330 HydrophobicContact CD2-CD1 4.25Å; L203-L330 HydrophobicContact CD2-CD2 3.98Å; I227-L330 HydrophobicContact CG2-CD2 3.58Å; V231-L330 HydrophobicContact CG2-CB 4.14Å; V231-L330 HydrophobicContact CG2-CD2 3.94Å; V231-L330 HydrophobicContact CG2-CG 4.03Å; H287-L330 HydrophobicContact CB-CD1 3.65Å; H287-L330 VanDerWaalsContact CG-CD1 3.46Å; V316-L330 HydrophobicContact CG2-CB 4.38Å; V316-L330 HydrophobicContact CG2-CD1 4.09Å; V326-L330 PolarHBondContact O-N 2.8Å; L330-H332 VanDerWaalsContact C-N 3.27Å; L330-H332 PolarHBondContact O-N 3.32Å; L330-E333 PolarHBondContact O-N 3.48Å; L330-M334 HydrophobicContact CD1-CG 4.03Å; L330-M334 HydrophobicContact CD1-SD 4.06Å; L330-M334 HydrophobicContact CG-CG 4.42Å; L330-M334 HydrophobicContact CG-SD 4.02Å; L330-M334 VanDerWaalsContact O-CB 3.31Å; L330-M334 WeakPolarHBondContact O-CB 3.4Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.38Å; L330-M334 PolarHBondContact O-N 2.9Å
331	A	95.7	Very high	88.1	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.4	-23.8	173.6	0	0	0	0	0	114	V231 A234 Y235 G327 A328 T329 G335 I356	V231-A331 HydrophobicContact CG2-CB 4.39Å; A234-A331 HydrophobicContact CB-CB 4.41Å; Y235-A331 HydrophobicContact CE2-CB 4.18Å; Y235-A331 PolarHBondContact OH-O 3.44Å; G327-A331 WeakPolarHBondContact O-CB 3.31Å; G327-A331 PolarHBondContact O-N 2.7Å; A328-A331 PolarHBondContact O-N 3.01Å; T329-A331 VanDerWaalsContact C-N 3.32Å; T329-A331 PolarHBondContact O-N 3.02Å; A331-G335 PolarHBondContact O-N 3.41Å; A331-G335 VanDerWaalsContact O-N 3.16Å; A331-I356 HydrophobicContact CB-CG2 4.08Å
332	H	92.8	Very high	88.1	Confident	11 Å²	11	7.5 Å²	7.5	5%	0.051	4%	0.044	C	C	.	.	H	α-helix	trans	-73.5	-51.9	172.4	-173.8	111.2	0	0	0	110.8	C165 A328 T329 L330 M334 G335 H336 H342 I356 M357 A358	C165-H332 WeakPolarHBondContact CB-NE2 3.45Å; C165-H332 PolarHBondContact SG-NE2 2.87Å; C165-H332 VanDerWaalsContact SG-NE2 3.39Å; A328-H332 PolarHBondContact O-N 3.26Å; T329-H332 WeakPolarHBondContact O-CA 3.1Å; T329-H332 VanDerWaalsContact O-CB 3.27Å; T329-H332 WeakPolarHBondContact O-CB 3.01Å; T329-H332 PolarHBondContact O-N 3.49Å; L330-H332 VanDerWaalsContact C-N 3.27Å; L330-H332 PolarHBondContact O-N 3.32Å; H332-M334 PolarHBondContact O-N 3.41Å; H332-G335 CarbonylContact O-C 3.53Å; H332-G335 VanDerWaalsContact O-CA 3.26Å; H332-G335 WeakPolarHBondContact O-CA 3.39Å; H332-G335 PolarHBondContact O-N 3.48Å; H332-H336 AromaticContact CD2-CD2 3.68Å; H332-H336 AromaticContact CD2-NE2 3.54Å; H332-H336 AromaticContact NE2-CD2 3.84Å; H332-H336 AromaticContact NE2-NE2 3.18Å; H332-H336 PolarHBondContact NE2-NE2 3.36Å; H332-H336 VanDerWaalsContact NE2-NE2 3.18Å; H332-H336 PolarHBondContact O-N 3.26Å; H332-H342 AromaticContact CD2-NE2 3.36Å; H332-H342 PolarHBondContact CD2-NE2 3.31Å; H332-H342 AromaticContact CE1-CD2 3.51Å; H332-H342 AromaticContact CE1-NE2 3Å; H332-H342 PolarHBondContact CE1-NE2 3.16Å; H332-H342 AromaticContact NE2-CD2 3.42Å; H332-H342 PolarHBondContact NE2-CD2 2.87Å; H332-H342 AromaticContact NE2-NE2 2.19Å; H332-H342 PolarHBondContact NE2-NE2 2.8Å; H332-I356 HydrophobicContact CB-CG2 4.24Å; H332-I356 PolarHBondContact ND1-O 2.98Å; H332-M357 WeakPolarHBondContact O-CE 3.36Å; H332-A358 PolarHBondContact CE1-O 3.44Å; H332-A358 VanDerWaalsContact CE1-O 3.22Å
333	E	94.7	Very high	88.1	Confident	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-66.5	-38.1	-179.1	-58.7	-43.3	141.4	0	0	112.3	C165 G300 L301 A302 V316 T329 L330 G335 H336 N337	C165-E333 PolarHBondContact SG-OE1 3.28Å; G300-E333 VanDerWaalsContact C-CD 3.46Å; G300-E333 VanDerWaalsContact C-OE1 3.28Å; G300-E333 WeakPolarHBondContact CA-OE1 2.91Å; L301-E333 VanDerWaalsContact C-OE2 3.23Å; L301-E333 WeakPolarHBondContact CA-OE2 3.38Å; L301-E333 PolarHBondContact N-OE2 2.75Å; A302-E333 HydrophobicContact CB-CB 3.84Å; A302-E333 WeakPolarHBondContact CB-O 3.28Å; A302-E333 PolarHBondContact N-OE2 3.44Å; A302-E333 VanDerWaalsContact N-OE2 3.09Å; V316-E333 HydrophobicContact CG2-CB 4.35Å; V316-E333 HydrophobicContact CG2-CG 3.96Å; T329-E333 HydrophobicContact CG2-CG 4.41Å; T329-E333 WeakPolarHBondContact O-CG 3.45Å; T329-E333 PolarHBondContact O-N 2.68Å; L330-E333 PolarHBondContact O-N 3.48Å; E333-G335 VanDerWaalsContact C-N 3.27Å; E333-G335 PolarHBondContact O-N 2.85Å; E333-H336 WeakPolarHBondContact O-CB 3.49Å; E333-H336 PolarHBondContact O-N 3.15Å; E333-H336 IonicContact OE2-CD2 2.95Å; E333-N337 PolarHBondContact O-N 3.05Å; E333-N337 VanDerWaalsContact O-N 3.11Å
334	M	96.4	Very high	87.3	Confident	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.2	-32.3	168.5	-69.3	-178.2	77.3	0	0	111.9	I199 L201 V231 Y235 I242 H287 L330 H332 H336 N337 L338	I199-M334 HydrophobicContact CG2-CE 4.33Å; L201-M334 HydrophobicContact CD1-CE 4.22Å; L201-M334 HydrophobicContact CD1-SD 4.42Å; L201-M334 HydrophobicContact CD2-CE 4.27Å; L201-M334 HydrophobicContact CD2-SD 4.12Å; V231-M334 HydrophobicContact CG1-SD 4.04Å; Y235-M334 HydrophobicContact CE2-CB 4.25Å; Y235-M334 VanDerWaalsContact OH-C 3.24Å; Y235-M334 VanDerWaalsContact OH-CB 3.3Å; Y235-M334 WeakPolarHBondContact OH-CB 3.16Å; I242-M334 HydrophobicContact CD1-CE 3.83Å; I242-M334 HydrophobicContact CG1-CE 4.33Å; I242-M334 HydrophobicContact CG2-CE 3.89Å; H287-M334 WeakPolarHBondContact NE2-CG 3.21Å; L330-M334 HydrophobicContact CD1-CG 4.03Å; L330-M334 HydrophobicContact CD1-SD 4.06Å; L330-M334 HydrophobicContact CG-CG 4.42Å; L330-M334 HydrophobicContact CG-SD 4.02Å; L330-M334 VanDerWaalsContact O-CB 3.31Å; L330-M334 WeakPolarHBondContact O-CB 3.4Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.38Å; L330-M334 PolarHBondContact O-N 2.9Å; H332-M334 PolarHBondContact O-N 3.41Å; M334-H336 VanDerWaalsContact C-N 3.34Å; M334-N337 PolarHBondContact O-N 3.19Å; M334-L338 WeakPolarHBondContact O-CB 3.45Å; M334-L338 WeakPolarHBondContact O-CD1 3.49Å; M334-L338 VanDerWaalsContact O-CG 3.27Å; M334-L338 WeakPolarHBondContact O-CG 3.02Å; M334-L338 PolarHBondContact O-N 2.98Å
335	G	93.1	Very high	86.4	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-42.2	172.5	0	0	0	0	0	112	Y235 A331 H332 E333 L338 G339 M340	Y235-G335 WeakPolarHBondContact OH-CA 3.26Å; Y235-G335 PolarHBondContact OH-N 2.74Å; A331-G335 PolarHBondContact O-N 3.41Å; A331-G335 VanDerWaalsContact O-N 3.16Å; H332-G335 CarbonylContact O-C 3.53Å; H332-G335 VanDerWaalsContact O-CA 3.26Å; H332-G335 WeakPolarHBondContact O-CA 3.39Å; H332-G335 PolarHBondContact O-N 3.48Å; E333-G335 VanDerWaalsContact C-N 3.27Å; E333-G335 PolarHBondContact O-N 2.85Å; G335-L338 CarbonylContact O-C 3.53Å; G335-L338 PolarHBondContact O-N 3.26Å; G335-G339 PolarHBondContact O-N 3.1Å; G335-M340 VanDerWaalsContact O-CB 3.26Å; G335-M340 WeakPolarHBondContact O-CB 3.32Å; G335-M340 WeakPolarHBondContact O-CG 3Å; G335-M340 PolarHBondContact O-N 3.48Å
336	H	83.8	Confident	85.2	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-48.8	170.8	-73.2	-45.3	0	0	0	112.3	A302 Y303 I304 G305 H332 E333 M334 L338 G339 M340 H342 M357	A302-H336 HydrophobicContact CB-CB 4.32Å; Y303-H336 CarbonylContact O-C 3.55Å; I304-H336 CarbonylContact C-O 3.56Å; I304-H336 VanDerWaalsContact CA-O 3.28Å; I304-H336 WeakPolarHBondContact CA-O 2.82Å; I304-H336 HydrophobicContact CG1-CB 4.31Å; G305-H336 PolarHBondContact N-O 3.04Å; H332-H336 AromaticContact CD2-CD2 3.68Å; H332-H336 AromaticContact CD2-NE2 3.54Å; H332-H336 AromaticContact NE2-CD2 3.84Å; H332-H336 AromaticContact NE2-NE2 3.18Å; H332-H336 PolarHBondContact NE2-NE2 3.36Å; H332-H336 VanDerWaalsContact NE2-NE2 3.18Å; H332-H336 PolarHBondContact O-N 3.26Å; E333-H336 WeakPolarHBondContact O-CB 3.49Å; E333-H336 PolarHBondContact O-N 3.15Å; E333-H336 IonicContact OE2-CD2 2.95Å; M334-H336 VanDerWaalsContact C-N 3.34Å; H336-L338 PolarHBondContact O-N 3.46Å; H336-L338 VanDerWaalsContact O-N 3.14Å; H336-G339 WeakPolarHBondContact O-CA 3.43Å; H336-G339 PolarHBondContact O-N 2.81Å; H336-M340 PolarHBondContact ND1-O 3.06Å; H336-H342 AromaticContact CD2-NE2 3.62Å; H336-H342 AromaticContact CE1-CD2 3.44Å; H336-H342 PolarHBondContact CE1-CD2 3.31Å; H336-H342 VanDerWaalsContact CE1-CD2 3.44Å; H336-H342 AromaticContact CE1-NE2 3.11Å; H336-H342 PolarHBondContact CE1-NE2 2.88Å; H336-H342 AromaticContact NE2-CD2 3.55Å; H336-H342 AromaticContact NE2-NE2 2.41Å; H336-H342 PolarHBondContact NE2-NE2 2.62Å; H336-M357 VanDerWaalsContact CE1-CE 3.4Å; H336-M357 WeakPolarHBondContact CE1-CE 3.08Å
337	N	91.4	Very high	84.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.9	-34.9	175.4	-63.3	149.4	0	0	0	112.3	N285 H287 Y303 G305 T306 L307 V313 E333 M334 G339	N285-N337 PolarHBondContact ND2-OD1 3.08Å; H287-N337 PolarHBondContact CE1-OD1 2.81Å; H287-N337 PolarHBondContact NE2-OD1 3.5Å; Y303-N337 WeakPolarHBondContact O-CA 3.13Å; Y303-N337 PolarHBondContact O-N 3Å; Y303-N337 PolarHBondContact O-ND2 2.98Å; G305-N337 CarbonylContact C-O 3.42Å; G305-N337 VanDerWaalsContact CA-O 3.32Å; G305-N337 WeakPolarHBondContact CA-O 3.36Å; G305-N337 PolarHBondContact N-O 2.93Å; T306-N337 PolarHBondContact N-O 2.92Å; T306-N337 PolarHBondContact OG1-ND2 3.2Å; L307-N337 HydrophobicContact CD1-CB 3.97Å; L307-N337 PolarHBondContact N-O 3.47Å; L307-N337 VanDerWaalsContact N-O 3.16Å; V313-N337 PolarHBondContact O-ND2 2.8Å; E333-N337 PolarHBondContact O-N 3.05Å; E333-N337 VanDerWaalsContact O-N 3.11Å; M334-N337 PolarHBondContact O-N 3.19Å; N337-G339 PolarHBondContact O-N 3.19Å
338	L	91.8	Very high	83.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	12.4	174.6	-68.3	164	0	0	0	114.5	I199 Y235 L307 M334 G335 H336 Y377 Y380	I199-L338 HydrophobicContact CD1-CD1 4.1Å; I199-L338 HydrophobicContact CD1-CD2 3.84Å; I199-L338 HydrophobicContact CD1-CG 4.41Å; Y235-L338 HydrophobicContact CD1-CD1 4.31Å; Y235-L338 HydrophobicContact CE1-CD1 3.4Å; L307-L338 HydrophobicContact CD1-CD2 4.32Å; L307-L338 HydrophobicContact CD1-CG 4.46Å; L307-L338 HydrophobicContact CD2-CD2 3.79Å; L307-L338 HydrophobicContact CG-CD2 4.49Å; M334-L338 WeakPolarHBondContact O-CB 3.45Å; M334-L338 WeakPolarHBondContact O-CD1 3.49Å; M334-L338 VanDerWaalsContact O-CG 3.27Å; M334-L338 WeakPolarHBondContact O-CG 3.02Å; M334-L338 PolarHBondContact O-N 2.98Å; G335-L338 CarbonylContact O-C 3.53Å; G335-L338 PolarHBondContact O-N 3.26Å; H336-L338 PolarHBondContact O-N 3.46Å; H336-L338 VanDerWaalsContact O-N 3.14Å; L338-Y377 HydrophobicContact CB-CD2 4.06Å; L338-Y377 HydrophobicContact CB-CE2 4.26Å; L338-Y377 HydrophobicContact CD2-CD2 4.4Å; L338-Y377 HydrophobicContact CD2-CE2 3.76Å; L338-Y377 HydrophobicContact CG-CE2 4.47Å; L338-Y380 WeakPolarHBondContact O-CB 3.41Å; L338-Y380 WeakPolarHBondContact O-CD1 3.37Å; L338-Y380 VanDerWaalsContact O-CG 3.25Å
339	G	80.6	Confident	82.8	Confident	14 Å²	14	28 Å²	28	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	17.6	171.9	0	0	0	0	0	115.4	G335 H336 N337	G335-G339 PolarHBondContact O-N 3.1Å; H336-G339 WeakPolarHBondContact O-CA 3.43Å; H336-G339 PolarHBondContact O-N 2.81Å; N337-G339 PolarHBondContact O-N 3.19Å
340	M	86.7	Confident	82	Confident	0 Å²	0	30 Å²	30	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-81.6	138.3	173.2	-51.9	-179.2	-165.8	0	0	111.3	Y235 L238 G335 H336 M357 F369 N376 Y377	Y235-M340 HydrophobicContact CE1-CE 4.31Å; L238-M340 HydrophobicContact CD1-CE 3.55Å; G335-M340 VanDerWaalsContact O-CB 3.26Å; G335-M340 WeakPolarHBondContact O-CB 3.32Å; G335-M340 WeakPolarHBondContact O-CG 3Å; G335-M340 PolarHBondContact O-N 3.48Å; H336-M340 PolarHBondContact ND1-O 3.06Å; M340-M357 HydrophobicContact CB-CE 4.14Å; M340-M357 HydrophobicContact CB-CG 3.95Å; M340-M357 HydrophobicContact CB-SD 4.18Å; M340-M357 HydrophobicContact SD-CG 3.92Å; M340-M357 HydrophobicContact SD-SD 4.09Å; M340-F369 HydrophobicContact CE-CD1 3.84Å; M340-F369 HydrophobicContact CE-CE1 3.81Å; M340-F369 HydrophobicContact CE-CG 4.27Å; M340-F369 HydrophobicContact CE-CZ 4.21Å; M340-F369 HydrophobicContact SD-CD1 3.36Å; M340-F369 WeakPolarHBondContact SD-CD1 3.27Å; M340-F369 HydrophobicContact SD-CE1 3.48Å; M340-F369 WeakPolarHBondContact SD-CE1 3.45Å; M340-F369 HydrophobicContact SD-CG 4.24Å; M340-F369 HydrophobicContact SD-CZ 4.42Å; M340-N376 HydrophobicContact CB-CB 4.42Å; M340-Y377 HydrophobicContact CE-CD2 4.46Å; M340-Y377 HydrophobicContact CE-CG 4.11Å
341	S	79.3	Confident	80.5	Confident	29 Å²	29	34.1 Å²	34.1	20%	0.203	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-94.7	173.9	167.5	-59.8	0	0	0	0	110.5	M357 N376	S341-M357 WeakPolarHBondContact O-CB 3.35Å; S341-N376 PolarHBondContact N-OD1 2.87Å
342	H	81.1	Confident	78.9	Confident	20 Å²	20	35.5 Å²	35.5	9%	0.093	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.5	151.3	174.7	-69.4	157.1	0	0	0	112.7	C165 V167 H332 H336 D344 M357 A359	C165-H342 VanDerWaalsContact CB-CE1 3.46Å; C165-H342 WeakPolarHBondContact CB-CE1 3.23Å; C165-H342 WeakPolarHBondContact CB-NE2 3.24Å; C165-H342 PolarHBondContact SG-NE2 2.84Å; V167-H342 VanDerWaalsContact C-CE1 3.41Å; V167-H342 PolarHBondContact O-CE1 3.07Å; H332-H342 AromaticContact CD2-NE2 3.36Å; H332-H342 PolarHBondContact CD2-NE2 3.31Å; H332-H342 AromaticContact CE1-CD2 3.51Å; H332-H342 AromaticContact CE1-NE2 3Å; H332-H342 PolarHBondContact CE1-NE2 3.16Å; H332-H342 AromaticContact NE2-CD2 3.42Å; H332-H342 PolarHBondContact NE2-CD2 2.87Å; H332-H342 AromaticContact NE2-NE2 2.19Å; H332-H342 PolarHBondContact NE2-NE2 2.8Å; H336-H342 AromaticContact CD2-NE2 3.62Å; H336-H342 AromaticContact CE1-CD2 3.44Å; H336-H342 PolarHBondContact CE1-CD2 3.31Å; H336-H342 VanDerWaalsContact CE1-CD2 3.44Å; H336-H342 AromaticContact CE1-NE2 3.11Å; H336-H342 PolarHBondContact CE1-NE2 2.88Å; H336-H342 AromaticContact NE2-CD2 3.55Å; H336-H342 AromaticContact NE2-NE2 2.41Å; H336-H342 PolarHBondContact NE2-NE2 2.62Å; H342-D344 WeakPolarHBondContact CB-OD1 3.45Å; H342-D344 PolarHBondContact O-N 2.99Å; H342-M357 CarbonylContact C-O 3.24Å; H342-M357 VanDerWaalsContact CA-O 3.22Å; H342-M357 WeakPolarHBondContact CA-O 3.48Å; H342-A359 HydrophobicContact CB-CB 4.06Å; H342-A359 VanDerWaalsContact ND1-CB 3.33Å; H342-A359 WeakPolarHBondContact ND1-CB 3.5Å
343	D	78.4	Confident	77.6	Confident	30 Å²	30	40.2 Å²	40.2	16%	0.16	27%	0.271	C	S	.	.			trans	-76.3	47.2	178.4	-68.7	-40.1	0	0	0	112	S345 C348 C355 M357 S370 S373	D343-S345 VanDerWaalsContact C-N 3.25Å; D343-S345 PolarHBondContact O-N 3.23Å; D343-C348 HydrophobicContact CB-CB 4.35Å; D343-C355 VanDerWaalsContact OD2-CB 3.26Å; D343-C355 WeakPolarHBondContact OD2-CB 3.35Å; D343-M357 PolarHBondContact N-O 3.43Å; D343-S370 VanDerWaalsContact CG-OG 3.3Å; D343-S370 VanDerWaalsContact OD1-CB 3.3Å; D343-S370 WeakPolarHBondContact OD1-CB 3.47Å; D343-S370 PolarHBondContact OD1-OG 2.67Å; D343-S373 PolarHBondContact OD1-OG 2.68Å
344	D	66	Low	76.6	Confident	97 Å²	97	41.1 Å²	41.1	52%	0.519	28%	0.277	S	S	.	.			trans	-72.3	-10.9	-170.3	-64	-32.9	0	0	0	114.9	N169 H342	N169-D344 PolarHBondContact ND2-OD2 2.96Å; H342-D344 WeakPolarHBondContact CB-OD1 3.45Å; H342-D344 PolarHBondContact O-N 2.99Å
345	S	60.4	Low	76.1	Confident	65 Å²	65	41.3 Å²	41.3	46%	0.455	28%	0.279	S	S	.	.	S	Bend	trans	-97.9	134	-177.1	-170.6	0	0	0	0	111.8	D343 A347 C348	D343-S345 VanDerWaalsContact C-N 3.25Å; D343-S345 PolarHBondContact O-N 3.23Å; S345-A347 PolarHBondContact O-N 2.74Å; S345-A347 PolarHBondContact OG-N 2.82Å; S345-C348 VanDerWaalsContact O-CB 3.29Å; S345-C348 WeakPolarHBondContact O-CB 3.48Å; S345-C348 PolarHBondContact O-N 3.2Å; S345-C348 PolarHBondContact O-SG 2.76Å; S345-C348 VanDerWaalsContact O-SG 3.39Å
346	S	60.8	Low	75.9	Confident	136 Å²	136	41.4 Å²	41.4	95%	0.951	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.3	169.3	55.7	0	0	0	0	114.3
347	A	67	Low	76.2	Confident	77 Å²	77	41.4 Å²	41.4	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-10.3	168.8	0	0	0	0	0	113.8	S345 S349	S345-A347 PolarHBondContact O-N 2.74Å; S345-A347 PolarHBondContact OG-N 2.82Å; A347-S349 PolarHBondContact O-N 3.01Å
348	C	75.8	Confident	75.7	Confident	25 Å²	25	42.7 Å²	42.7	17%	0.169	29%	0.29	C	S	.	.			trans	-75.9	110.3	178.8	-59	0	0	0	0	110.5	D343 S345 C372	D343-C348 HydrophobicContact CB-CB 4.35Å; S345-C348 VanDerWaalsContact O-CB 3.29Å; S345-C348 WeakPolarHBondContact O-CB 3.48Å; S345-C348 PolarHBondContact O-N 3.2Å; S345-C348 PolarHBondContact O-SG 2.76Å; S345-C348 VanDerWaalsContact O-SG 3.39Å; C348-C372 WeakPolarHBondContact CA-SG 3.46Å; C348-C372 HydrophobicContact CB-CB 3.85Å; C348-C372 WeakPolarHBondContact CB-SG 3.3Å; C348-C372 WeakPolarHBondContact SG-CB 3.33Å; C348-C372 CovalentContact SG-SG 2.03Å; C348-C372 PolarHBondContact SG-SG 3.12Å
349	S	75.4	Confident	74.6	Confident	78 Å²	78	44.1 Å²	44.1	55%	0.545	30%	0.302	S	S	.	.			trans	-82.2	124.4	179.4	-173.1	0	0	0	0	110.1	A347 S370 T371	A347-S349 PolarHBondContact O-N 3.01Å; S349-S370 WeakPolarHBondContact O-CA 3.46Å; S349-S370 WeakPolarHBondContact O-CB 3.06Å; S349-T371 PolarHBondContact N-OG1 2.67Å; S349-T371 PolarHBondContact O-N 2.89Å; S349-T371 VanDerWaalsContact O-N 3.09Å
350	C	73.7	Confident	73.9	Confident	45 Å²	45	46 Å²	46	30%	0.304	32%	0.315	S	S	.	.			trans	-112.2	143.3	175.5	-166.8	0	0	0	0	111.4	G352 S354 C355	C350-G352 WeakPolarHBondContact CB-O 3.28Å; C350-G352 PolarHBondContact O-N 2.98Å; C350-G352 PolarHBondContact SG-O 3.28Å; C350-S354 PolarHBondContact SG-O 2.59Å; C350-C355 WeakPolarHBondContact CA-SG 3.07Å; C350-C355 HydrophobicContact CB-CB 3.99Å; C350-C355 WeakPolarHBondContact CB-SG 3.48Å; C350-C355 WeakPolarHBondContact SG-CA 3.07Å; C350-C355 WeakPolarHBondContact SG-CB 3.22Å; C350-C355 PolarHBondContact SG-N 2.98Å; C350-C355 CovalentContact SG-SG 2.03Å; C350-C355 PolarHBondContact SG-SG 2.89Å
351	S	64.9	Low	72.9	Confident	87 Å²	87	48.2 Å²	48.2	61%	0.608	33%	0.327	S	S	*	.	S	Bend	trans	-79.3	-1.3	-179.5	81	0	0	0	0	114.7	T368	S351-T368 VanDerWaalsContact OG-CG2 3.27Å; S351-T368 WeakPolarHBondContact OG-CG2 3.47Å; S351-T368 PolarHBondContact OG-OG1 3.47Å
352	G	63.9	Low	72.1	Confident	29 Å²	29	48.6 Å²	48.6	30%	0.299	33%	0.33	S	S	.	.	S	Bend	trans	-159.9	-173.3	176.1	0	0	0	0	0	110.4	C350 S354	C350-G352 WeakPolarHBondContact CB-O 3.28Å; C350-G352 PolarHBondContact O-N 2.98Å; C350-G352 PolarHBondContact SG-O 3.28Å; G352-S354 PolarHBondContact O-N 2.9Å; G352-S354 VanDerWaalsContact O-N 3.09Å
353	D	64.4	Low	71.2	Confident	110 Å²	110	51.9 Å²	51.9	59%	0.588	34%	0.342	S	S	*	.	S	Bend	trans	-68.2	-12.6	-167.8	-19	-34	0	0	0	114.8	R136 N364	R136-D353 IonicContact CZ-OD2 2.71Å; R136-D353 IonicContact NH1-OD2 2.75Å; R136-D353 PolarHBondContact NH1-OD2 3.33Å; R136-D353 VanDerWaalsContact NH2-CG 3.28Å; R136-D353 IonicContact NH2-OD1 3.48Å; R136-D353 PolarHBondContact NH2-OD1 3.17Å; R136-D353 VanDerWaalsContact NH2-OD1 3.17Å; R136-D353 IonicContact NH2-OD2 2.68Å; R136-D353 PolarHBondContact NH2-OD2 2.72Å; D353-N364 PolarHBondContact OD2-ND2 3.36Å; D353-N364 VanDerWaalsContact OD2-ND2 3.11Å
354	S	74.7	Confident	70.6	Confident	19 Å²	19	51.7 Å²	51.7	13%	0.133	34%	0.341	C	S	.	.			trans	-154.7	143.9	171.5	-177.1	0	0	0	0	110.8	C350 G352 S362	C350-S354 PolarHBondContact SG-O 2.59Å; G352-S354 PolarHBondContact O-N 2.9Å; G352-S354 VanDerWaalsContact O-N 3.09Å; S354-S362 VanDerWaalsContact CB-OG 3.22Å; S354-S362 WeakPolarHBondContact CB-OG 3.35Å
355	C	85	Confident	70.9	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.034	32%	0.322	C	S	.	.			trans	-107.9	161	177.2	-91.8	0	0	0	0	111	D343 C350 M357 A358 P366 T368	D343-C355 VanDerWaalsContact OD2-CB 3.26Å; D343-C355 WeakPolarHBondContact OD2-CB 3.35Å; C350-C355 WeakPolarHBondContact CA-SG 3.07Å; C350-C355 HydrophobicContact CB-CB 3.99Å; C350-C355 WeakPolarHBondContact CB-SG 3.48Å; C350-C355 WeakPolarHBondContact SG-CA 3.07Å; C350-C355 WeakPolarHBondContact SG-CB 3.22Å; C350-C355 PolarHBondContact SG-N 2.98Å; C350-C355 CovalentContact SG-SG 2.03Å; C350-C355 PolarHBondContact SG-SG 2.89Å; C355-M357 VanDerWaalsContact C-N 3.28Å; C355-M357 PolarHBondContact O-N 2.97Å; C355-A358 WeakPolarHBondContact O-CB 3.29Å; C355-A358 PolarHBondContact O-N 2.96Å; C355-A358 VanDerWaalsContact O-N 3.09Å; C355-P366 VanDerWaalsContact C-CB 3.44Å; C355-P366 WeakPolarHBondContact O-CB 3.31Å; C355-T368 CarbonylContact C-O 3.58Å; C355-T368 VanDerWaalsContact CA-O 3.28Å; C355-T368 WeakPolarHBondContact CA-O 3.43Å; C355-T368 WeakPolarHBondContact CB-O 3.36Å; C355-T368 PolarHBondContact SG-O 3.14Å
356	I	89.9	Confident	71.7	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.9	-169.4	-69.2	168	0	0	0	111.3	A234 A331 H332 A358 P366 T368 F369	A234-I356 HydrophobicContact CB-CD1 3.66Å; A331-I356 HydrophobicContact CB-CG2 4.08Å; H332-I356 HydrophobicContact CB-CG2 4.24Å; H332-I356 PolarHBondContact ND1-O 2.98Å; I356-A358 PolarHBondContact O-N 2.94Å; I356-P366 HydrophobicContact CG1-CB 4.25Å; I356-T368 PolarHBondContact N-O 2.54Å; I356-F369 HydrophobicContact CB-CD1 3.92Å; I356-F369 HydrophobicContact CB-CE1 3.75Å; I356-F369 HydrophobicContact CB-CZ 4.26Å; I356-F369 HydrophobicContact CD1-CD1 4.37Å; I356-F369 HydrophobicContact CD1-CD2 4.03Å; I356-F369 HydrophobicContact CD1-CE1 4.08Å; I356-F369 HydrophobicContact CD1-CE2 3.71Å; I356-F369 HydrophobicContact CD1-CG 4.35Å; I356-F369 HydrophobicContact CD1-CZ 3.74Å; I356-F369 HydrophobicContact CG2-CD1 4.19Å; I356-F369 HydrophobicContact CG2-CE1 3.52Å; I356-F369 HydrophobicContact CG2-CZ 3.93Å
357	M	89.2	Confident	72.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	22.6	179.3	-55.1	-49.4	-58.3	0	0	114.2	H332 H336 M340 S341 H342 D343 C355 A359 F369	H332-M357 WeakPolarHBondContact O-CE 3.36Å; H336-M357 VanDerWaalsContact CE1-CE 3.4Å; H336-M357 WeakPolarHBondContact CE1-CE 3.08Å; M340-M357 HydrophobicContact CB-CE 4.14Å; M340-M357 HydrophobicContact CB-CG 3.95Å; M340-M357 HydrophobicContact CB-SD 4.18Å; M340-M357 HydrophobicContact SD-CG 3.92Å; M340-M357 HydrophobicContact SD-SD 4.09Å; S341-M357 WeakPolarHBondContact O-CB 3.35Å; H342-M357 CarbonylContact C-O 3.24Å; H342-M357 VanDerWaalsContact CA-O 3.22Å; H342-M357 WeakPolarHBondContact CA-O 3.48Å; D343-M357 PolarHBondContact N-O 3.43Å; C355-M357 VanDerWaalsContact C-N 3.28Å; C355-M357 PolarHBondContact O-N 2.97Å; M357-A359 PolarHBondContact O-N 2.8Å; M357-F369 HydrophobicContact CG-CD1 4.1Å; M357-F369 HydrophobicContact CG-CE1 4.32Å; M357-F369 HydrophobicContact SD-CD1 4.46Å; M357-F369 HydrophobicContact SD-CE1 4.08Å
358	A	81.3	Confident	72.9	Confident	27 Å²	27	38 Å²	38	22%	0.223	24%	0.242	C	C	.	.			trans	-65.4	125.2	168.2	0	0	0	0	0	110.1	H332 C355 I356 A360	H332-A358 PolarHBondContact CE1-O 3.44Å; H332-A358 VanDerWaalsContact CE1-O 3.22Å; C355-A358 WeakPolarHBondContact O-CB 3.29Å; C355-A358 PolarHBondContact O-N 2.96Å; C355-A358 VanDerWaalsContact O-N 3.09Å; I356-A358 PolarHBondContact O-N 2.94Å; A358-A360 PolarHBondContact O-N 3.03Å
359	A	68.7	Low	73.4	Confident	32 Å²	32	37.8 Å²	37.8	26%	0.264	24%	0.238	S	C	.	.	S	Bend	trans	-57.3	-25.4	-176.4	0	0	0	0	0	114.4	V164 C165 H342 M357	V164-A359 WeakPolarHBondContact CA-O 3.33Å; V164-A359 WeakPolarHBondContact CB-O 3.33Å; C165-A359 PolarHBondContact N-O 2.87Å; H342-A359 HydrophobicContact CB-CB 4.06Å; H342-A359 VanDerWaalsContact ND1-CB 3.33Å; H342-A359 WeakPolarHBondContact ND1-CB 3.5Å; M357-A359 PolarHBondContact O-N 2.8Å
360	A	64.4	Low	73.8	Confident	52 Å²	52	34.3 Å²	34.3	43%	0.43	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-113.5	142.4	175.4	0	0	0	0	0	111.2	A163 V164 A358 S362	A163-A360 CarbonylContact O-C 3.6Å; A163-A360 WeakPolarHBondContact O-CA 3.37Å; V164-A360 HydrophobicContact CG1-CB 4.05Å; A358-A360 PolarHBondContact O-N 3.03Å; A360-S362 PolarHBondContact O-N 3.39Å
361	L	67	Low	74	Confident	48 Å²	48	36 Å²	36	25%	0.251	22%	0.223	S	C	.	.			trans	-60.9	110	166.1	-70.6	-162.9	0	0	0	108.9	A163 V299 H319	A163-L361 HydrophobicContact CB-CB 4.01Å; A163-L361 HydrophobicContact CB-CD1 3.75Å; A163-L361 HydrophobicContact CB-CG 3.91Å; A163-L361 PolarHBondContact O-N 2.97Å; V299-L361 HydrophobicContact CG1-CD1 4.41Å; V299-L361 HydrophobicContact CG2-CD1 3.93Å; V299-L361 HydrophobicContact CG2-CD2 4.28Å; V299-L361 HydrophobicContact CG2-CG 3.9Å; H319-L361 VanDerWaalsContact CE1-CD1 3.46Å; H319-L361 WeakPolarHBondContact CE1-CD1 3.06Å
362	S	61.7	Low	74.7	Confident	37 Å²	37	33.3 Å²	33.3	26%	0.259	20%	0.204	S	C	.	.			trans	-73.8	146	166	115.3	0	0	0	0	109.6	S354 A360 N364	S354-S362 VanDerWaalsContact CB-OG 3.22Å; S354-S362 WeakPolarHBondContact CB-OG 3.35Å; A360-S362 PolarHBondContact O-N 3.39Å; S362-N364 CarbonylContact O-C 3.43Å; S362-N364 PolarHBondContact O-N 3.13Å; S362-N364 WeakPolarHBondContact OG-CA 3.38Å; S362-N364 WeakPolarHBondContact OG-CB 3.3Å; S362-N364 PolarHBondContact OG-N 3.15Å; S362-N364 PolarHBondContact OG-O 3.11Å
363	Y	63.2	Low	75.7	Confident	88 Å²	88	32 Å²	32	35%	0.345	19%	0.19	S	C	.	.	S	Bend	trans	-38.3	-36.5	163.1	162.2	-128.7	0	0	0	114.3	N156 D157 L160	N156-Y363 WeakPolarHBondContact CA-OH 3.34Å; N156-Y363 PolarHBondContact O-OH 3.17Å; D157-Y363 VanDerWaalsContact C-CE2 3.49Å; D157-Y363 WeakPolarHBondContact O-CD2 3.35Å; D157-Y363 WeakPolarHBondContact O-CE2 3.36Å; L160-Y363 HydrophobicContact CD1-CD2 4.41Å
364	N	65.9	Low	76.6	Confident	27 Å²	27	28.3 Å²	28.3	14%	0.144	17%	0.173	C	C	.	.	S	Bend	trans	-89.2	118.3	172.2	-64.9	-60.4	0	0	0	110.9	R136 D353 S362 P366	R136-N364 PolarHBondContact NH1-OD1 2.04Å; D353-N364 PolarHBondContact OD2-ND2 3.36Å; D353-N364 VanDerWaalsContact OD2-ND2 3.11Å; S362-N364 CarbonylContact O-C 3.43Å; S362-N364 PolarHBondContact O-N 3.13Å; S362-N364 WeakPolarHBondContact OG-CA 3.38Å; S362-N364 WeakPolarHBondContact OG-CB 3.3Å; S362-N364 PolarHBondContact OG-N 3.15Å; S362-N364 PolarHBondContact OG-O 3.11Å; N364-P366 VanDerWaalsContact O-CD 3.27Å; N364-P366 WeakPolarHBondContact O-CD 3.32Å; N364-P366 VanDerWaalsContact O-N 3.11Å
365	I	72.4	Confident	76.7	Confident	23 Å²	23	29.8 Å²	29.8	12%	0.118	19%	0.186	C	C	.	.			trans	-58.9	111.4	174.9	-57.7	172.2	0	0	0	109.6	F230 I324 A325 A328 R367	F230-I365 HydrophobicContact CE2-CG2 4.29Å; F230-I365 HydrophobicContact CZ-CG2 3.94Å; I324-I365 HydrophobicContact CD1-CD1 3.74Å; I324-I365 HydrophobicContact CG1-CD1 3.9Å; A325-I365 HydrophobicContact CB-CD1 3.85Å; A325-I365 HydrophobicContact CB-CG1 4.19Å; A328-I365 HydrophobicContact CB-CG2 3.71Å; I365-R367 PolarHBondContact O-NE 3.06Å; I365-R367 VanDerWaalsContact O-NE 3.15Å
366	P	76.6	Confident	76.4	Confident	13 Å²	13	31.6 Å²	31.6	8%	0.084	20%	0.195	C	C	.	.			trans	-75.2	151.2	-173.2	31.9	-35.5	0	0	0	111.8	F230 A328 C355 I356 N364	F230-P366 WeakPolarHBondContact CZ-O 3Å; A328-P366 HydrophobicContact CB-CG 4.29Å; C355-P366 VanDerWaalsContact C-CB 3.44Å; C355-P366 WeakPolarHBondContact O-CB 3.31Å; I356-P366 HydrophobicContact CG1-CB 4.25Å; N364-P366 VanDerWaalsContact O-CD 3.27Å; N364-P366 WeakPolarHBondContact O-CD 3.32Å; N364-P366 VanDerWaalsContact O-N 3.11Å
367	R	72.4	Confident	76.2	Confident	19 Å²	19	31.8 Å²	31.8	7%	0.072	20%	0.196	C	C	.	.			trans	-143.8	-5.7	-168.6	-75.7	171.3	-119.9	161	-10.5	115.9	Y129 F230 M233 I365	Y129-R367 VanDerWaalsContact CE1-CZ 3.46Å; Y129-R367 VanDerWaalsContact CZ-NH2 3.28Å; Y129-R367 PolarHBondContact OH-NH1 3.12Å; Y129-R367 PolarHBondContact OH-NH2 2.88Å; F230-R367 HydrophobicContact CE2-CG 3.76Å; F230-R367 HydrophobicContact CZ-CG 3.52Å; M233-R367 HydrophobicContact CE-CB 4.39Å; M233-R367 HydrophobicContact CE-CG 4.04Å; I365-R367 PolarHBondContact O-NE 3.06Å; I365-R367 VanDerWaalsContact O-NE 3.15Å
368	T	80.1	Confident	75.6	Confident	33 Å²	33	36.4 Å²	36.4	20%	0.202	22%	0.217	C	C	.	.	S	Bend	trans	-128.7	141.7	174.9	56.9	0	0	0	0	108.7	S351 C355 I356	S351-T368 VanDerWaalsContact OG-CG2 3.27Å; S351-T368 WeakPolarHBondContact OG-CG2 3.47Å; S351-T368 PolarHBondContact OG-OG1 3.47Å; C355-T368 CarbonylContact C-O 3.58Å; C355-T368 VanDerWaalsContact CA-O 3.28Å; C355-T368 WeakPolarHBondContact CA-O 3.43Å; C355-T368 WeakPolarHBondContact CB-O 3.36Å; C355-T368 PolarHBondContact SG-O 3.14Å; I356-T368 PolarHBondContact N-O 2.54Å
369	F	85.9	Confident	75.2	Confident	20 Å²	20	43.9 Å²	43.9	9%	0.088	24%	0.24	C	C	.	.			trans	-67.9	152.4	161.6	-63.3	-76.6	0	0	0	109.6	A234 Y235 L238 M340 I356 M357	A234-F369 WeakPolarHBondContact O-CE2 3.45Å; Y235-F369 AromaticContact CD1-CE2 3.89Å; Y235-F369 HydrophobicContact CD1-CE2 3.89Å; Y235-F369 HydrophobicContact CD1-CZ 4.16Å; Y235-F369 AromaticContact CE1-CE2 3.76Å; Y235-F369 HydrophobicContact CE1-CE2 3.76Å; Y235-F369 AromaticContact CE1-CZ 3.56Å; Y235-F369 HydrophobicContact CE1-CZ 3.56Å; Y235-F369 HydrophobicContact CE2-CZ 4.23Å; Y235-F369 HydrophobicContact CG-CE2 4.35Å; Y235-F369 AromaticContact CZ-CZ 3.61Å; L238-F369 HydrophobicContact CD1-CD2 3.49Å; L238-F369 VanDerWaalsContact CD1-CD2 3.49Å; L238-F369 HydrophobicContact CD1-CE2 3.8Å; L238-F369 HydrophobicContact CD1-CG 4.01Å; L238-F369 HydrophobicContact CG-CD2 4.08Å; M340-F369 HydrophobicContact CE-CD1 3.84Å; M340-F369 HydrophobicContact CE-CE1 3.81Å; M340-F369 HydrophobicContact CE-CG 4.27Å; M340-F369 HydrophobicContact CE-CZ 4.21Å; M340-F369 HydrophobicContact SD-CD1 3.36Å; M340-F369 WeakPolarHBondContact SD-CD1 3.27Å; M340-F369 HydrophobicContact SD-CE1 3.48Å; M340-F369 WeakPolarHBondContact SD-CE1 3.45Å; M340-F369 HydrophobicContact SD-CG 4.24Å; M340-F369 HydrophobicContact SD-CZ 4.42Å; I356-F369 HydrophobicContact CB-CD1 3.92Å; I356-F369 HydrophobicContact CB-CE1 3.75Å; I356-F369 HydrophobicContact CB-CZ 4.26Å; I356-F369 HydrophobicContact CD1-CD1 4.37Å; I356-F369 HydrophobicContact CD1-CD2 4.03Å; I356-F369 HydrophobicContact CD1-CE1 4.08Å; I356-F369 HydrophobicContact CD1-CE2 3.71Å; I356-F369 HydrophobicContact CD1-CG 4.35Å; I356-F369 HydrophobicContact CD1-CZ 3.74Å; I356-F369 HydrophobicContact CG2-CD1 4.19Å; I356-F369 HydrophobicContact CG2-CE1 3.52Å; I356-F369 HydrophobicContact CG2-CZ 3.93Å; M357-F369 HydrophobicContact CG-CD1 4.1Å; M357-F369 HydrophobicContact CG-CE1 4.32Å; M357-F369 HydrophobicContact SD-CD1 4.46Å; M357-F369 HydrophobicContact SD-CE1 4.08Å
370	S	83.7	Confident	75.5	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.028	23%	0.23	C	C	.	.			trans	-83.1	176	176.8	88.8	0	0	0	0	110.8	D343 S349 C372 S373 S374	D343-S370 VanDerWaalsContact CG-OG 3.3Å; D343-S370 VanDerWaalsContact OD1-CB 3.3Å; D343-S370 WeakPolarHBondContact OD1-CB 3.47Å; D343-S370 PolarHBondContact OD1-OG 2.67Å; S349-S370 WeakPolarHBondContact O-CA 3.46Å; S349-S370 WeakPolarHBondContact O-CB 3.06Å; S370-C372 PolarHBondContact O-N 3.19Å; S370-C372 WeakPolarHBondContact OG-CB 3.28Å; S370-C372 PolarHBondContact OG-N 2.83Å; S370-S373 PolarHBondContact N-OG 3.14Å; S370-S373 PolarHBondContact O-N 3.35Å; S370-S373 PolarHBondContact OG-N 2.8Å; S370-S373 PolarHBondContact OG-OG 3.12Å; S370-S373 VanDerWaalsContact OG-OG 3.12Å; S370-S374 WeakPolarHBondContact O-CB 3.11Å; S370-S374 PolarHBondContact O-N 2.95Å; S370-S374 PolarHBondContact O-OG 3.08Å
371	T	78.6	Confident	75.9	Confident	81 Å²	81	40.7 Å²	40.7	50%	0.497	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-28.8	167.7	54.2	0	0	0	0	112.9	S349 A375	S349-T371 PolarHBondContact N-OG1 2.67Å; S349-T371 PolarHBondContact O-N 2.89Å; S349-T371 VanDerWaalsContact O-N 3.09Å; T371-A375 WeakPolarHBondContact O-CB 3.16Å; T371-A375 PolarHBondContact O-N 2.77Å; T371-A375 VanDerWaalsContact O-N 3.14Å
372	C	79.4	Confident	75.7	Confident	31 Å²	31	42.5 Å²	42.5	21%	0.209	22%	0.223	C	C	.	.	H	α-helix	trans	-73.1	-50.1	175.6	-67.6	0	0	0	0	111.5	C348 S370 S374 A375 N376	C348-C372 WeakPolarHBondContact CA-SG 3.46Å; C348-C372 HydrophobicContact CB-CB 3.85Å; C348-C372 WeakPolarHBondContact CB-SG 3.3Å; C348-C372 WeakPolarHBondContact SG-CB 3.33Å; C348-C372 CovalentContact SG-SG 2.03Å; C348-C372 PolarHBondContact SG-SG 3.12Å; S370-C372 PolarHBondContact O-N 3.19Å; S370-C372 WeakPolarHBondContact OG-CB 3.28Å; S370-C372 PolarHBondContact OG-N 2.83Å; C372-S374 VanDerWaalsContact C-N 3.28Å; C372-S374 PolarHBondContact O-N 2.85Å; C372-A375 PolarHBondContact O-N 2.8Å; C372-A375 VanDerWaalsContact O-N 3.14Å; C372-N376 PolarHBondContact O-N 2.95Å; C372-N376 PolarHBondContact O-ND2 2.88Å
373	S	85.4	Confident	75.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-36	179.9	7.3	0	0	0	0	111.6	D343 S370 N376 Y377	D343-S373 PolarHBondContact OD1-OG 2.68Å; S370-S373 PolarHBondContact N-OG 3.14Å; S370-S373 PolarHBondContact O-N 3.35Å; S370-S373 PolarHBondContact OG-N 2.8Å; S370-S373 PolarHBondContact OG-OG 3.12Å; S370-S373 VanDerWaalsContact OG-OG 3.12Å; S373-N376 PolarHBondContact O-N 2.81Å; S373-Y377 WeakPolarHBondContact O-CB 3.11Å; S373-Y377 PolarHBondContact O-N 3.13Å
374	S	84	Confident	75.4	Confident	34 Å²	34	45.1 Å²	45.1	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-50.8	170.2	-55.2	0	0	0	0	111.9	S370 C372 N376 Y377 E378	S370-S374 WeakPolarHBondContact O-CB 3.11Å; S370-S374 PolarHBondContact O-N 2.95Å; S370-S374 PolarHBondContact O-OG 3.08Å; C372-S374 VanDerWaalsContact C-N 3.28Å; C372-S374 PolarHBondContact O-N 2.85Å; S374-N376 VanDerWaalsContact C-N 3.3Å; S374-N376 PolarHBondContact O-N 3.34Å; S374-Y377 WeakPolarHBondContact O-CB 3.08Å; S374-Y377 PolarHBondContact O-N 2.03Å; S374-Y377 VanDerWaalsContact O-N 3.15Å; S374-E378 WeakPolarHBondContact O-CG 3.4Å; S374-E378 PolarHBondContact O-N 3.39Å
375	A	75.3	Confident	75.3	Confident	49 Å²	49	45 Å²	45	41%	0.405	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-30.3	178.5	0	0	0	0	0	113.4	T371 C372 R379	T371-A375 WeakPolarHBondContact O-CB 3.16Å; T371-A375 PolarHBondContact O-N 2.77Å; T371-A375 VanDerWaalsContact O-N 3.14Å; C372-A375 PolarHBondContact O-N 2.8Å; C372-A375 VanDerWaalsContact O-N 3.14Å; A375-R379 VanDerWaalsContact O-CB 3.32Å; A375-R379 WeakPolarHBondContact O-CB 3.3Å; A375-R379 PolarHBondContact O-N 2.79Å
376	N	79.6	Confident	75.3	Confident	44 Å²	44	44.4 Å²	44.4	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-46	171.2	-65.6	174.2	0	0	0	111	M340 S341 C372 S373 S374 R379 Y380	M340-N376 HydrophobicContact CB-CB 4.42Å; S341-N376 PolarHBondContact N-OD1 2.87Å; C372-N376 PolarHBondContact O-N 2.95Å; C372-N376 PolarHBondContact O-ND2 2.88Å; S373-N376 PolarHBondContact O-N 2.81Å; S374-N376 VanDerWaalsContact C-N 3.3Å; S374-N376 PolarHBondContact O-N 3.34Å; N376-R379 WeakPolarHBondContact O-CB 3.14Å; N376-R379 PolarHBondContact O-N 3.03Å; N376-Y380 WeakPolarHBondContact O-CB 3.47Å; N376-Y380 PolarHBondContact O-N 3.03Å
377	Y	85.7	Confident	75	Confident	6 Å²	6	45.2 Å²	45.2	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-43.7	177	179.1	-126.4	0	0	0	112.2	K197 L238 T240 L338 M340 S373 S374 R379 Y380 L381	K197-Y377 WeakPolarHBondContact CD-OH 3.32Å; L238-Y377 HydrophobicContact CB-CD1 4.27Å; L238-Y377 HydrophobicContact CB-CE1 4Å; L238-Y377 HydrophobicContact CD1-CD1 4.04Å; L238-Y377 HydrophobicContact CD1-CE1 4.39Å; L238-Y377 HydrophobicContact CD2-CD1 4.3Å; L238-Y377 HydrophobicContact CG-CD1 4.45Å; T240-Y377 PolarHBondContact OG1-OH 3.38Å; L338-Y377 HydrophobicContact CB-CD2 4.06Å; L338-Y377 HydrophobicContact CB-CE2 4.26Å; L338-Y377 HydrophobicContact CD2-CD2 4.4Å; L338-Y377 HydrophobicContact CD2-CE2 3.76Å; L338-Y377 HydrophobicContact CG-CE2 4.47Å; M340-Y377 HydrophobicContact CE-CD2 4.46Å; M340-Y377 HydrophobicContact CE-CG 4.11Å; S373-Y377 WeakPolarHBondContact O-CB 3.11Å; S373-Y377 PolarHBondContact O-N 3.13Å; S374-Y377 WeakPolarHBondContact O-CB 3.08Å; S374-Y377 PolarHBondContact O-N 2.03Å; S374-Y377 VanDerWaalsContact O-N 3.15Å; Y377-R379 VanDerWaalsContact C-N 3.32Å; Y377-R379 PolarHBondContact O-N 2.81Å; Y377-Y380 HydrophobicContact CD2-CD1 4.42Å; Y377-Y380 PolarHBondContact O-N 2.99Å; Y377-L381 HydrophobicContact CD1-CD1 4.17Å; Y377-L381 HydrophobicContact CD2-CD1 4.42Å; Y377-L381 HydrophobicContact CD2-CG 4.11Å; Y377-L381 HydrophobicContact CE1-CD1 3.69Å; Y377-L381 HydrophobicContact CE1-CG 4.36Å; Y377-L381 HydrophobicContact CE2-CD1 3.94Å; Y377-L381 HydrophobicContact CE2-CD2 3.78Å; Y377-L381 HydrophobicContact CE2-CG 3.68Å; Y377-L381 WeakPolarHBondContact O-CB 3.28Å; Y377-L381 WeakPolarHBondContact O-CG 3.36Å; Y377-L381 PolarHBondContact O-N 3.14Å
378	E	76.8	Confident	75.3	Confident	96 Å²	96	45.5 Å²	45.5	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-58.6	-43.2	173.4	-68.1	-178.1	178	0	0	112	L193 S374 T382	L193-E378 HydrophobicContact CD1-CB 4.03Å; L193-E378 HydrophobicContact CD1-CG 3.8Å; L193-E378 HydrophobicContact CD2-CB 3.83Å; L193-E378 HydrophobicContact CD2-CG 3.86Å; L193-E378 HydrophobicContact CG-CG 4.37Å; S374-E378 WeakPolarHBondContact O-CG 3.4Å; S374-E378 PolarHBondContact O-N 3.39Å; E378-T382 WeakPolarHBondContact O-CB 3.36Å; E378-T382 WeakPolarHBondContact O-CG2 3.3Å; E378-T382 PolarHBondContact O-N 2.97Å; E378-T382 PolarHBondContact O-OG1 2.79Å
379	R	71.6	Confident	75.4	Confident	184 Å²	184	44 Å²	44	69%	0.694	24%	0.236	S	C	*	.	H	α-helix	trans	-64.8	-41.7	174.6	-179.7	-179.9	174.7	125.8	-1.3	112.1	A375 N376 Y377 T382 T383	A375-R379 VanDerWaalsContact O-CB 3.32Å; A375-R379 WeakPolarHBondContact O-CB 3.3Å; A375-R379 PolarHBondContact O-N 2.79Å; N376-R379 WeakPolarHBondContact O-CB 3.14Å; N376-R379 PolarHBondContact O-N 3.03Å; Y377-R379 VanDerWaalsContact C-N 3.32Å; Y377-R379 PolarHBondContact O-N 2.81Å; R379-T382 WeakPolarHBondContact CA-OG1 3.43Å; R379-T382 PolarHBondContact O-OG1 3.39Å; R379-T383 WeakPolarHBondContact O-CB 3.49Å; R379-T383 PolarHBondContact O-N 3.18Å; R379-T383 PolarHBondContact O-OG1 3.38Å
380	Y	76.7	Confident	74.7	Confident	16 Å²	16	44.9 Å²	44.9	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-51.7	177.6	171.8	-106.6	0	0	0	110.9	G305 L307 L338 N376 Y377 T382 T383 R384 P386	G305-Y380 WeakPolarHBondContact O-CE2 3.43Å; L307-Y380 WeakPolarHBondContact CB-OH 3.23Å; L307-Y380 PolarHBondContact N-OH 3.36Å; L307-Y380 PolarHBondContact O-OH 2.71Å; L338-Y380 WeakPolarHBondContact O-CB 3.41Å; L338-Y380 WeakPolarHBondContact O-CD1 3.37Å; L338-Y380 VanDerWaalsContact O-CG 3.25Å; N376-Y380 WeakPolarHBondContact O-CB 3.47Å; N376-Y380 PolarHBondContact O-N 3.03Å; Y377-Y380 HydrophobicContact CD2-CD1 4.42Å; Y377-Y380 PolarHBondContact O-N 2.99Å; Y380-T382 PolarHBondContact O-N 2.87Å; Y380-T383 PolarHBondContact O-N 2.89Å; Y380-R384 HydrophobicContact CD2-CB 3.98Å; Y380-R384 HydrophobicContact CD2-CG 3.75Å; Y380-R384 HydrophobicContact CE2-CB 3.75Å; Y380-R384 HydrophobicContact CE2-CG 3.72Å; Y380-R384 WeakPolarHBondContact O-CB 3.39Å; Y380-R384 PolarHBondContact O-N 3.41Å; Y380-P386 HydrophobicContact CE1-CG 3.75Å
381	L	72.5	Confident	73.9	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-54.1	-50	175.4	-72.7	178.4	0	0	0	112.2	V192 L193 Y377 N385 P386 I389	V192-L381 HydrophobicContact CG1-CB 4.07Å; V192-L381 HydrophobicContact CG1-CD1 4.42Å; V192-L381 HydrophobicContact CG1-CD2 4.4Å; L193-L381 HydrophobicContact CD2-CB 4.17Å; L193-L381 HydrophobicContact CD2-CD1 3.81Å; Y377-L381 HydrophobicContact CD1-CD1 4.17Å; Y377-L381 HydrophobicContact CD2-CD1 4.42Å; Y377-L381 HydrophobicContact CD2-CG 4.11Å; Y377-L381 HydrophobicContact CE1-CD1 3.69Å; Y377-L381 HydrophobicContact CE1-CG 4.36Å; Y377-L381 HydrophobicContact CE2-CD1 3.94Å; Y377-L381 HydrophobicContact CE2-CD2 3.78Å; Y377-L381 HydrophobicContact CE2-CG 3.68Å; Y377-L381 WeakPolarHBondContact O-CB 3.28Å; Y377-L381 WeakPolarHBondContact O-CG 3.36Å; Y377-L381 PolarHBondContact O-N 3.14Å; L381-N385 WeakPolarHBondContact O-CA 3.47Å; L381-N385 PolarHBondContact O-N 2.87Å; L381-P386 HydrophobicContact CD2-CG 4.34Å; L381-I389 HydrophobicContact CD2-CD1 3.65Å
382	T	63.2	Low	72.9	Confident	86 Å²	86	47.9 Å²	47.9	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-73.7	-28.4	-176.2	51.1	0	0	0	0	114	L193 E378 R379 Y380	L193-T382 HydrophobicContact CD2-CG2 4.15Å; E378-T382 WeakPolarHBondContact O-CB 3.36Å; E378-T382 WeakPolarHBondContact O-CG2 3.3Å; E378-T382 PolarHBondContact O-N 2.97Å; E378-T382 PolarHBondContact O-OG1 2.79Å; R379-T382 WeakPolarHBondContact CA-OG1 3.43Å; R379-T382 PolarHBondContact O-OG1 3.39Å; Y380-T382 PolarHBondContact O-N 2.87Å
383	T	57.5	Low	71.7	Confident	96 Å²	96	48 Å²	48	59%	0.589	25%	0.249	S	C	*	.	H	α-helix	trans	-91.5	-46.6	-177.6	-49.9	0	0	0	0	112.6	R379 Y380	R379-T383 WeakPolarHBondContact O-CB 3.49Å; R379-T383 PolarHBondContact O-N 3.18Å; R379-T383 PolarHBondContact O-OG1 3.38Å; Y380-T383 PolarHBondContact O-N 2.89Å
384	R	60.5	Low	69.9	Low	84 Å²	84	52 Å²	52	32%	0.317	27%	0.271	S	S	.	.	H	α-helix	trans	-90.2	-35.7	-176.6	-64.9	-84.3	-96.9	-168.8	-5.3	111.6	G305 Y380	G305-R384 PolarHBondContact O-NE 3.29Å; G305-R384 PolarHBondContact O-NH2 2.98Å; Y380-R384 HydrophobicContact CD2-CB 3.98Å; Y380-R384 HydrophobicContact CD2-CG 3.75Å; Y380-R384 HydrophobicContact CE2-CB 3.75Å; Y380-R384 HydrophobicContact CE2-CG 3.72Å; Y380-R384 WeakPolarHBondContact O-CB 3.39Å; Y380-R384 PolarHBondContact O-N 3.41Å
385	N	64.3	Low	67.9	Low	26 Å²	26	55.7 Å²	55.7	14%	0.139	28%	0.283	C	S	.	.			trans	50.3	60.4	-178.2	-166.7	114.4	0	0	0	111.9	L381 S387	L381-N385 WeakPolarHBondContact O-CA 3.47Å; L381-N385 PolarHBondContact O-N 2.87Å; N385-S387 PolarHBondContact O-N 3.15Å
386	P	71.5	Confident	66.3	Low	10 Å²	10	56.4 Å²	56.4	7%	0.065	28%	0.282	C	S	.	.			trans	-54.6	119.9	174.8	24.3	-35.6	0	0	0	110.2	C308 Y380 L381 I389 F390	C308-P386 HydrophobicContact CB-CB 4.37Å; C308-P386 WeakPolarHBondContact SG-CB 3.45Å; Y380-P386 HydrophobicContact CE1-CG 3.75Å; L381-P386 HydrophobicContact CD2-CG 4.34Å; P386-I389 HydrophobicContact CB-CD1 4.47Å; P386-I389 HydrophobicContact CG-CD1 3.7Å; P386-I389 HydrophobicContact CG-CG1 4.21Å; P386-F390 WeakPolarHBondContact O-CD2 3.39Å; P386-F390 WeakPolarHBondContact O-CE2 3.33Å
387	S	69.6	Low	64.4	Low	30 Å²	30	55.2 Å²	55.2	21%	0.21	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82.1	-25.9	-173.3	36.5	0	0	0	0	114	S183 N385 I389 F390	S183-S387 WeakPolarHBondContact O-CB 3.46Å; S183-S387 PolarHBondContact O-OG 3.35Å; N385-S387 PolarHBondContact O-N 3.15Å; S387-I389 PolarHBondContact O-N 2.98Å; S387-I389 VanDerWaalsContact O-N 3.13Å; S387-F390 PolarHBondContact O-N 3.06Å
388	C	80.1	Confident	62.5	Low	24 Å²	24	56.7 Å²	56.7	16%	0.162	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-71.7	1.9	-177.8	79.9	0	0	0	0	115.7	D284 C308 D391	D284-C388 VanDerWaalsContact CB-SG 3.52Å; D284-C388 VanDerWaalsContact CG-O 3.29Å; D284-C388 VanDerWaalsContact OD1-CB 3.31Å; D284-C388 WeakPolarHBondContact OD1-CB 3.49Å; D284-C388 PolarHBondContact OD1-SG 2.91Å; D284-C388 VanDerWaalsContact OD1-SG 3.34Å; D284-C388 VanDerWaalsContact OD2-O 3.13Å; C308-C388 WeakPolarHBondContact CA-SG 3.47Å; C308-C388 HydrophobicContact CB-CB 3.89Å; C308-C388 WeakPolarHBondContact CB-SG 3.41Å; C308-C388 WeakPolarHBondContact SG-CB 3.06Å; C308-C388 PolarHBondContact SG-N 2.83Å; C308-C388 VanDerWaalsContact SG-N 3.37Å; C308-C388 CovalentContact SG-SG 2.02Å; C308-C388 PolarHBondContact SG-SG 3.41Å; C388-D391 VanDerWaalsContact CA-OD1 3.3Å; C388-D391 WeakPolarHBondContact CA-OD1 3.35Å; C388-D391 VanDerWaalsContact O-OD1 3.13Å
389	I	81.5	Confident	60.7	Low	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-105.5	7.8	178	68.8	177.5	0	0	0	113.6	K197 Y198 I199 L307 L381 P386 S387	K197-I389 WeakPolarHBondContact CA-O 3.15Å; K197-I389 HydrophobicContact CB-CB 4.25Å; K197-I389 HydrophobicContact CB-CD1 4.12Å; K197-I389 HydrophobicContact CB-CG1 4.26Å; K197-I389 HydrophobicContact CG-CD1 3.88Å; K197-I389 HydrophobicContact CG-CG1 4.25Å; Y198-I389 PolarHBondContact N-O 2.79Å; Y198-I389 WeakPolarHBondContact O-CA 3.47Å; Y198-I389 WeakPolarHBondContact O-CB 3.05Å; Y198-I389 WeakPolarHBondContact O-CG2 3.02Å; I199-I389 HydrophobicContact CG1-CG2 4.01Å; L307-I389 HydrophobicContact CD2-CG2 3.3Å; L381-I389 HydrophobicContact CD2-CD1 3.65Å; P386-I389 HydrophobicContact CB-CD1 4.47Å; P386-I389 HydrophobicContact CG-CD1 3.7Å; P386-I389 HydrophobicContact CG-CG1 4.21Å; S387-I389 PolarHBondContact O-N 2.98Å; S387-I389 VanDerWaalsContact O-N 3.13Å
390	F	72	Confident	59.3	Low	40 Å²	40	48 Å²	48	18%	0.175	26%	0.26	C	S	.	.	S	Bend	trans	-118.5	-12.8	-177	-57.9	-65.8	0	0	0	113.3	V192 K197 P386 S387 K392	V192-F390 HydrophobicContact CG1-CE1 4.06Å; V192-F390 HydrophobicContact CG1-CE2 4.42Å; V192-F390 HydrophobicContact CG1-CZ 3.5Å; V192-F390 VanDerWaalsContact CG1-CZ 3.5Å; K197-F390 HydrophobicContact CG-CE1 3.86Å; K197-F390 HydrophobicContact CG-CZ 4.43Å; P386-F390 WeakPolarHBondContact O-CD2 3.39Å; P386-F390 WeakPolarHBondContact O-CE2 3.33Å; S387-F390 PolarHBondContact O-N 3.06Å; F390-K392 PolarHBondContact O-N 2.69Å
391	D	66.3	Low	57.7	Low	70 Å²	70	51 Å²	51	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-69.4	82	162.2	43.5	-47.4	0	0	0	110.1	K282 C388 P393	K282-D391 WeakPolarHBondContact CE-OD2 3.47Å; K282-D391 IonicContact NZ-OD2 3.25Å; K282-D391 PolarHBondContact NZ-OD2 3.14Å; C388-D391 VanDerWaalsContact CA-OD1 3.3Å; C388-D391 WeakPolarHBondContact CA-OD1 3.35Å; C388-D391 VanDerWaalsContact O-OD1 3.13Å; D391-P393 WeakPolarHBondContact O-CD 3.48Å
392	K	58.5	Low	56.6	Low	77 Å²	77	52.1 Å²	52.1	34%	0.335	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-49.9	123.5	170.3	175.5	178.1	178.2	-175.9	0	108.6	Y198 F390 D394 L409	Y198-K392 HydrophobicContact CD2-CB 4.01Å; Y198-K392 HydrophobicContact CD2-CG 4.37Å; Y198-K392 HydrophobicContact CE1-CG 4.13Å; Y198-K392 HydrophobicContact CE2-CB 3.65Å; Y198-K392 HydrophobicContact CE2-CD 4.32Å; Y198-K392 HydrophobicContact CE2-CG 3.77Å; F390-K392 PolarHBondContact O-N 2.69Å; K392-D394 PolarHBondContact O-N 3.09Å; K392-L409 PolarHBondContact NZ-O 3.22Å; K392-L409 VanDerWaalsContact NZ-O 3.16Å
393	P	52.9	Low	56.5	Low	35 Å²	35	49.5 Å²	49.5	23%	0.227	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-52.9	135.6	172.4	-27.5	35.6	0	0	0	111.1	Y198 D391 F395	Y198-P393 HydrophobicContact CD1-CG 4.48Å; D391-P393 WeakPolarHBondContact O-CD 3.48Å; P393-F395 PolarHBondContact O-N 2.95Å
394	D	48.6	Very low	57.1	Low	84 Å²	84	47.3 Å²	47.3	45%	0.449	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-47.6	124.1	-174.6	176.9	-13.9	0	0	0	110.8	K392 T396 S397	K392-D394 PolarHBondContact O-N 3.09Å; D394-T396 PolarHBondContact O-N 2.78Å; D394-T396 VanDerWaalsContact O-N 3.14Å; D394-T396 WeakPolarHBondContact OD1-CA 3.46Å; D394-T396 WeakPolarHBondContact OD1-CB 3.24Å; D394-T396 WeakPolarHBondContact OD1-CG2 3.32Å; D394-T396 PolarHBondContact OD1-N 2.95Å; D394-T396 PolarHBondContact OD1-OG1 3.25Å; D394-T396 PolarHBondContact OD2-OG1 3.14Å; D394-T396 VanDerWaalsContact OD2-OG1 3.09Å; D394-S397 WeakPolarHBondContact O-CA 3.37Å; D394-S397 VanDerWaalsContact O-CB 3.23Å; D394-S397 WeakPolarHBondContact O-CB 3.33Å; D394-S397 PolarHBondContact O-N 3.28Å; D394-S397 PolarHBondContact O-OG 2.99Å
395	F	42.2	Very low	57.3	Low	110 Å²	110	44.3 Å²	44.3	48%	0.482	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	-177.3	59.4	-85.9	0	0	0	113.1	P393 S397	P393-F395 PolarHBondContact O-N 2.95Å; F395-S397 VanDerWaalsContact C-N 3.33Å
396	T	40.2	Very low	56.9	Low	65 Å²	65	44.6 Å²	44.6	40%	0.399	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.5	171	75.7	0	0	0	0	113.3	D394	D394-T396 PolarHBondContact O-N 2.78Å; D394-T396 VanDerWaalsContact O-N 3.14Å; D394-T396 WeakPolarHBondContact OD1-CA 3.46Å; D394-T396 WeakPolarHBondContact OD1-CB 3.24Å; D394-T396 WeakPolarHBondContact OD1-CG2 3.32Å; D394-T396 PolarHBondContact OD1-N 2.95Å; D394-T396 PolarHBondContact OD1-OG1 3.25Å; D394-T396 PolarHBondContact OD2-OG1 3.14Å; D394-T396 VanDerWaalsContact OD2-OG1 3.09Å
397	S	40.8	Very low	56.5	Low	19 Å²	19	46 Å²	46	13%	0.133	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-10.5	-178.4	81.9	0	0	0	0	114.3	R80 D394 F395 V399	R80-S397 WeakPolarHBondContact CB-O 3.07Å; D394-S397 WeakPolarHBondContact O-CA 3.37Å; D394-S397 VanDerWaalsContact O-CB 3.23Å; D394-S397 WeakPolarHBondContact O-CB 3.33Å; D394-S397 PolarHBondContact O-N 3.28Å; D394-S397 PolarHBondContact O-OG 2.99Å; F395-S397 VanDerWaalsContact C-N 3.33Å; S397-V399 PolarHBondContact O-N 3.04Å
398	I	44.6	Very low	55.9	Low	36 Å²	36	45.6 Å²	45.6	19%	0.185	27%	0.273	C	S	.	.			trans	-66.8	132	171.9	-60.7	171.6	0	0	0	109.2	A400 E410	I398-A400 HydrophobicContact CG2-CB 4.27Å; I398-E410 HydrophobicContact CD1-CG 4.03Å; I398-E410 WeakPolarHBondContact CG2-OE1 3.43Å
399	V	39.1	Very low	55.1	Low	88 Å²	88	47.3 Å²	47.3	53%	0.533	28%	0.28	S	S	.	.			trans	-84.2	-27.1	-172.3	-175	0	0	0	0	112.1	R80 S397	R80-V399 HydrophobicContact CB-CG2 3.62Å; R80-V399 HydrophobicContact CG-CG2 4.28Å; S397-V399 PolarHBondContact O-N 3.04Å
400	A	42	Very low	54.1	Low	11 Å²	11	47.4 Å²	47.4	9%	0.091	28%	0.28	C	S	.	.	S	Bend	trans	-70.4	157.9	178.2	0	0	0	0	0	113	N75 I398	N75-A400 HydrophobicContact CB-CB 3.52Å; I398-A400 HydrophobicContact CG2-CB 4.27Å
401	P	43.8	Very low	53.4	Low	78 Å²	78	51.7 Å²	51.7	51%	0.506	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-66.8	139.2	158.2	-7.8	25.1	0	0	0	109.4	N75	N75-P401 PolarHBondContact ND2-O 2.83Å
402	G	50.7	Low	53.7	Low	25 Å²	25	52 Å²	52	26%	0.258	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-57.8	139.6	179	0	0	0	0	0	113.9	E410	G402-E410 VanDerWaalsContact CA-CB 3.46Å; G402-E410 WeakPolarHBondContact CA-OE2 3.3Å
403	V	60	Low	54.6	Low	30 Å²	30	49.8 Å²	49.8	18%	0.182	31%	0.31	C	S	.	.			trans	-109.8	78.1	-177.5	-173.3	0	0	0	0	110.8	E54 N75 G405 N406 E410 E413	E54-V403 HydrophobicContact CB-CG2 4.47Å; E54-V403 HydrophobicContact CG-CG2 4.28Å; N75-V403 WeakPolarHBondContact ND2-CG2 3.32Å; V403-G405 PolarHBondContact O-N 2.97Å; V403-N406 WeakPolarHBondContact O-CB 3.47Å; V403-N406 PolarHBondContact O-N 2.94Å; V403-N406 PolarHBondContact O-ND2 3.33Å; V403-E410 PolarHBondContact N-OE2 3.27Å; V403-E413 PolarHBondContact N-OE1 3.11Å
404	C	69.9	Low	56.1	Low	50 Å²	50	53.1 Å²	53.1	34%	0.338	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	122.2	178.4	-177.9	0	0	0	0	114.6	E413 D416 T432 C433	C404-E413 WeakPolarHBondContact CA-OE1 3.25Å; C404-E413 PolarHBondContact N-OE1 3.14Å; C404-D416 WeakPolarHBondContact CA-OD2 3.32Å; C404-T432 VanDerWaalsContact SG-C 3.58Å; C404-C433 WeakPolarHBondContact CA-SG 3.44Å; C404-C433 HydrophobicContact CB-CB 3.52Å; C404-C433 WeakPolarHBondContact CB-SG 3.35Å; C404-C433 WeakPolarHBondContact SG-CB 3.16Å; C404-C433 PolarHBondContact SG-N 2.84Å; C404-C433 CovalentContact SG-SG 2.03Å; C404-C433 PolarHBondContact SG-SG 3.26Å
405	G	64.8	Low	57.8	Low	21 Å²	21	49.3 Å²	49.3	22%	0.216	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	8.2	-176.8	0	0	0	0	0	114.3	V403 D416 G418 S419	V403-G405 PolarHBondContact O-N 2.97Å; G405-D416 PolarHBondContact N-OD2 3.46Å; G405-G418 WeakPolarHBondContact CA-O 3.47Å; G405-G418 CarbonylContact O-C 3.59Å; G405-G418 VanDerWaalsContact O-C 3.3Å; G405-S419 PolarHBondContact O-N 2.83Å; G405-S419 VanDerWaalsContact O-N 3.14Å
406	N	57	Low	59.5	Low	32 Å²	32	44.1 Å²	44.1	17%	0.171	28%	0.279	C	S	.	.	S	Bend	trans	-91.2	-12.8	-177.3	69.9	7.7	0	0	0	114.4	V403 F408 E410 D416	V403-N406 WeakPolarHBondContact O-CB 3.47Å; V403-N406 PolarHBondContact O-N 2.94Å; V403-N406 PolarHBondContact O-ND2 3.33Å; N406-F408 HydrophobicContact CB-CD2 4.46Å; N406-F408 WeakPolarHBondContact OD1-CA 3.15Å; N406-F408 WeakPolarHBondContact OD1-CB 3.3Å; N406-F408 PolarHBondContact OD1-N 3.06Å; N406-F408 PolarHBondContact OD1-O 3.22Å; N406-E410 PolarHBondContact ND2-OE2 2.85Å; N406-D416 PolarHBondContact N-OD1 3.49Å; N406-D416 PolarHBondContact N-OD2 3.41Å; N406-D416 VanDerWaalsContact N-OD2 3.1Å; N406-D416 PolarHBondContact OD1-OD2 3.11Å
407	G	61.3	Low	61.3	Low	40 Å²	40	42.1 Å²	42.1	41%	0.412	27%	0.268	S	S	.	.	S	Bend	trans	90.2	11.3	-175.6	0	0	0	0	0	115.2	D416	G407-D416 VanDerWaalsContact CA-OD1 3.24Å; G407-D416 WeakPolarHBondContact CA-OD1 3.33Å; G407-D416 PolarHBondContact N-OD1 2.96Å
408	F	58.1	Low	62.7	Low	22 Å²	22	41.7 Å²	41.7	10%	0.096	27%	0.266	C	S	.	.	S	Bend	trans	-128.2	119.8	-178.7	-62.2	-93.3	0	0	0	111	Q196 Y198 N406 E410	Q196-F408 HydrophobicContact CG-CE1 3.77Å; Q196-F408 HydrophobicContact CG-CZ 4.21Å; Y198-F408 HydrophobicContact CE1-CD1 4.22Å; Y198-F408 AromaticContact CE1-CE1 3.83Å; Y198-F408 HydrophobicContact CE1-CE1 3.83Å; N406-F408 HydrophobicContact CB-CD2 4.46Å; N406-F408 WeakPolarHBondContact OD1-CA 3.15Å; N406-F408 WeakPolarHBondContact OD1-CB 3.3Å; N406-F408 PolarHBondContact OD1-N 3.06Å; N406-F408 PolarHBondContact OD1-O 3.22Å; F408-E410 HydrophobicContact CB-CG 4.34Å; F408-E410 PolarHBondContact O-N 2.98Å
409	L	62.8	Low	64.1	Low	59 Å²	59	41.5 Å²	41.5	31%	0.309	27%	0.268	S	S	.	.			trans	-62.3	109.8	167.4	174.9	56.7	0	0	0	110.3	K392 E413	K392-L409 PolarHBondContact NZ-O 3.22Å; K392-L409 VanDerWaalsContact NZ-O 3.16Å; L409-E413 HydrophobicContact CD1-CB 3.93Å
410	E	60.4	Low	66.1	Low	3 Å²	3	41.3 Å²	41.3	1%	0.014	27%	0.267	C	S	.	.			trans	-113.6	-179.1	-179.6	-70.9	-171.4	90.9	0	0	113.2	I398 G402 V403 N406 F408 G412 E413	I398-E410 HydrophobicContact CD1-CG 4.03Å; I398-E410 WeakPolarHBondContact CG2-OE1 3.43Å; G402-E410 VanDerWaalsContact CA-CB 3.46Å; G402-E410 WeakPolarHBondContact CA-OE2 3.3Å; V403-E410 PolarHBondContact N-OE2 3.27Å; N406-E410 PolarHBondContact ND2-OE2 2.85Å; F408-E410 HydrophobicContact CB-CG 4.34Å; F408-E410 PolarHBondContact O-N 2.98Å; E410-G412 PolarHBondContact O-N 3.5Å; E410-E413 WeakPolarHBondContact CB-OE2 3.49Å; E410-E413 PolarHBondContact N-OE2 2.98Å; E410-E413 PolarHBondContact O-N 3.01Å
411	K	58.4	Low	67.6	Low	131 Å²	131	48.9 Å²	48.9	57%	0.57	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	108.4	-174.6	-174.9	-180	177	-179.2	0	112.3
412	G	70.7	Confident	69.1	Low	77 Å²	77	51.6 Å²	51.6	79%	0.794	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.7	-14.2	-179.1	0	0	0	0	0	112.5	E410	E410-G412 PolarHBondContact O-N 3.5Å
413	E	79.4	Confident	70.6	Confident	30 Å²	30	51.8 Å²	51.8	14%	0.14	30%	0.303	C	S	.	.			trans	-102.9	175	-176	-64.3	164.1	167.5	0	0	111.2	V403 C404 L409 E410 C433	V403-E413 PolarHBondContact N-OE1 3.11Å; C404-E413 WeakPolarHBondContact CA-OE1 3.25Å; C404-E413 PolarHBondContact N-OE1 3.14Å; L409-E413 HydrophobicContact CD1-CB 3.93Å; E410-E413 WeakPolarHBondContact CB-OE2 3.49Å; E410-E413 PolarHBondContact N-OE2 2.98Å; E410-E413 PolarHBondContact O-N 3.01Å; E413-C433 CarbonylContact C-O 3.49Å; E413-C433 WeakPolarHBondContact CA-O 3.12Å; E413-C433 HydrophobicContact CB-CB 4.07Å; E413-C433 WeakPolarHBondContact CB-O 3.49Å; E413-C433 HydrophobicContact CG-CB 3.67Å
414	Q	83.8	Confident	71.8	Confident	105 Å²	105	57 Å²	57	49%	0.491	34%	0.335	S	S	.	.	S	Bend	trans	-128.1	-14.8	176.6	-51.5	178.6	-38.6	0	0	112.2	C433 L435	Q414-C433 PolarHBondContact N-O 2.9Å; Q414-L435 HydrophobicContact CB-CB 4.49Å; Q414-L435 HydrophobicContact CB-CD1 4.19Å; Q414-L435 HydrophobicContact CB-CG 3.79Å
415	C	82.9	Confident	72.4	Confident	3 Å²	3	56 Å²	56	2%	0.02	33%	0.326	C	S	.	.			trans	-166.7	150.8	173.6	57.9	0	0	0	0	108.6	C428 C433 T434 L435 A442	C415-C428 HydrophobicContact CB-CB 3.69Å; C415-C428 WeakPolarHBondContact CB-SG 3.44Å; C415-C428 PolarHBondContact O-SG 3.26Å; C415-C428 VanDerWaalsContact O-SG 3.34Å; C415-C428 WeakPolarHBondContact SG-CA 3.35Å; C415-C428 WeakPolarHBondContact SG-CB 3.28Å; C415-C428 CovalentContact SG-SG 2.03Å; C415-C428 PolarHBondContact SG-SG 2.79Å; C415-C433 PolarHBondContact N-O 2.96Å; C415-C433 CarbonylContact O-C 3.52Å; C415-C433 WeakPolarHBondContact O-CA 3.33Å; C415-C433 WeakPolarHBondContact O-CB 3.2Å; C415-T434 VanDerWaalsContact SG-C 3.52Å; C415-T434 PolarHBondContact SG-O 3.07Å; C415-T434 VanDerWaalsContact SG-O 3.35Å; C415-L435 HydrophobicContact CB-CD2 4.32Å; C415-A442 HydrophobicContact CB-CB 3.47Å; C415-A442 VanDerWaalsContact CB-CB 3.47Å
416	D	78.9	Confident	73.6	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.011	35%	0.348	C	S	.	.			trans	-135.7	141.5	162	-168.6	-50.7	0	0	0	107	C404 G405 N406 G407 G418	C404-D416 WeakPolarHBondContact CA-OD2 3.32Å; G405-D416 PolarHBondContact N-OD2 3.46Å; N406-D416 PolarHBondContact N-OD1 3.49Å; N406-D416 PolarHBondContact N-OD2 3.41Å; N406-D416 VanDerWaalsContact N-OD2 3.1Å; N406-D416 PolarHBondContact OD1-OD2 3.11Å; G407-D416 VanDerWaalsContact CA-OD1 3.24Å; G407-D416 WeakPolarHBondContact CA-OD1 3.33Å; G407-D416 PolarHBondContact N-OD1 2.96Å; D416-G418 PolarHBondContact OD1-N 3.19Å
417	C	77.6	Confident	75.4	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.155	34%	0.343	C	S	.	.			trans	-133.4	19.9	-176.5	52.2	0	0	0	0	112.8	C423 N425 C428	C417-C423 HydrophobicContact CB-CB 3.84Å; C417-C423 WeakPolarHBondContact CB-SG 3.42Å; C417-C423 WeakPolarHBondContact O-CA 3.48Å; C417-C423 WeakPolarHBondContact O-CB 3.26Å; C417-C423 WeakPolarHBondContact SG-CB 3.32Å; C417-C423 CovalentContact SG-SG 2.03Å; C417-C423 PolarHBondContact SG-SG 3.19Å; C417-N425 HydrophobicContact CB-CB 3.87Å; C417-C428 HydrophobicContact CB-CB 4.41Å
418	G	70.4	Confident	76.9	Confident	9 Å²	9	57.3 Å²	57.3	9%	0.093	33%	0.326	C	S	.	.	S	Bend	trans	82.8	-174	-170.7	0	0	0	0	0	112.9	G405 D416	G405-G418 WeakPolarHBondContact CA-O 3.47Å; G405-G418 CarbonylContact O-C 3.59Å; G405-G418 VanDerWaalsContact O-C 3.3Å; D416-G418 PolarHBondContact OD1-N 3.19Å
419	S	74.1	Confident	78.5	Confident	32 Å²	32	59.3 Å²	59.3	22%	0.224	34%	0.338	C	S	.	.			trans	-59.8	162.2	-176.1	65.5	0	0	0	0	113	G405 E421 E422 C423	G405-S419 PolarHBondContact O-N 2.83Å; G405-S419 VanDerWaalsContact O-N 3.14Å; S419-E421 PolarHBondContact O-N 2.89Å; S419-E421 VanDerWaalsContact O-N 3.13Å; S419-E422 WeakPolarHBondContact CB-OE2 3.46Å; S419-E422 PolarHBondContact O-N 3.48Å; S419-E422 WeakPolarHBondContact OG-CB 3.33Å; S419-E422 VanDerWaalsContact OG-CG 3.27Å; S419-E422 WeakPolarHBondContact OG-CG 3.4Å; S419-E422 PolarHBondContact OG-N 2.83Å; S419-E422 PolarHBondContact OG-OE2 2.8Å; S419-C423 WeakPolarHBondContact O-CB 3.4Å; S419-C423 PolarHBondContact O-N 2.81Å
420	V	81.1	Confident	79.6	Confident	85 Å²	85	57.1 Å²	57.1	52%	0.515	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.8	-178.9	-178.4	0	0	0	0	112.1	A430	V420-A430 HydrophobicContact CG2-CB 4.09Å
421	E	74.4	Confident	80.8	Confident	170 Å²	170	61.7 Å²	61.7	79%	0.794	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-23	174.8	-64.7	82.3	176.2	0	0	114.3	S419	S419-E421 PolarHBondContact O-N 2.89Å; S419-E421 VanDerWaalsContact O-N 3.13Å
422	E	73.6	Confident	82.2	Confident	135 Å²	135	58.8 Å²	58.8	63%	0.631	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-28.2	-176.5	-69.3	166.9	143.6	0	0	112.9	S419 T424	S419-E422 WeakPolarHBondContact CB-OE2 3.46Å; S419-E422 PolarHBondContact O-N 3.48Å; S419-E422 WeakPolarHBondContact OG-CB 3.33Å; S419-E422 VanDerWaalsContact OG-CG 3.27Å; S419-E422 WeakPolarHBondContact OG-CG 3.4Å; S419-E422 PolarHBondContact OG-N 2.83Å; S419-E422 PolarHBondContact OG-OE2 2.8Å; E422-T424 PolarHBondContact O-N 2.85Å
423	C	82.6	Confident	83	Confident	29 Å²	29	55.1 Å²	55.1	20%	0.196	31%	0.312	C	S	.	.			trans	-67.3	117.9	-176.6	177.5	0	0	0	0	112.1	C417 S419 A430	C417-C423 HydrophobicContact CB-CB 3.84Å; C417-C423 WeakPolarHBondContact CB-SG 3.42Å; C417-C423 WeakPolarHBondContact O-CA 3.48Å; C417-C423 WeakPolarHBondContact O-CB 3.26Å; C417-C423 WeakPolarHBondContact SG-CB 3.32Å; C417-C423 CovalentContact SG-SG 2.03Å; C417-C423 PolarHBondContact SG-SG 3.19Å; S419-C423 WeakPolarHBondContact O-CB 3.4Å; S419-C423 PolarHBondContact O-N 2.81Å; C423-A430 HydrophobicContact CB-CB 3.62Å
424	T	84.9	Confident	83.6	Confident	139 Å²	139	56.3 Å²	56.3	85%	0.853	32%	0.322	S	S	*	.			trans	-107.6	2.8	175.3	46.7	0	0	0	0	112.9	E422 P426	E422-T424 PolarHBondContact O-N 2.85Å; T424-P426 WeakPolarHBondContact O-CD 3.45Å
425	N	84	Confident	84	Confident	28 Å²	28	53.1 Å²	53.1	15%	0.15	31%	0.308	C	S	.	.			trans	-88.1	106.3	-174.1	-170.6	-21.2	0	0	0	111.2	C417 C427 C428 A442	C417-N425 HydrophobicContact CB-CB 3.87Å; N425-C427 PolarHBondContact O-N 2.74Å; N425-C427 VanDerWaalsContact O-N 3.15Å; N425-C427 VanDerWaalsContact OD1-CB 3.23Å; N425-C427 WeakPolarHBondContact OD1-CB 3.31Å; N425-C427 PolarHBondContact OD1-N 2.86Å; N425-C427 VanDerWaalsContact OD1-N 3.11Å; N425-C428 PolarHBondContact O-N 3.25Å; N425-A442 PolarHBondContact ND2-O 3.14Å
426	P	90.2	Very high	84.5	Confident	103 Å²	103	54.6 Å²	54.6	67%	0.669	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.8	-175.9	30.7	-36.9	0	0	0	113.3	T424 C428 S436	T424-P426 WeakPolarHBondContact O-CD 3.45Å; P426-C428 VanDerWaalsContact C-N 3.27Å; P426-C428 PolarHBondContact O-N 2.77Å; P426-S436 VanDerWaalsContact O-CB 3.3Å; P426-S436 WeakPolarHBondContact O-CB 3.13Å; P426-S436 PolarHBondContact O-OG 2.85Å
427	C	93.6	Very high	85	Confident	9 Å²	9	60 Å²	60	6%	0.061	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.6	-179.4	-49.6	0	0	0	0	113.1	N425 S436 C441 A442 C450	N425-C427 PolarHBondContact O-N 2.74Å; N425-C427 VanDerWaalsContact O-N 3.15Å; N425-C427 VanDerWaalsContact OD1-CB 3.23Å; N425-C427 WeakPolarHBondContact OD1-CB 3.31Å; N425-C427 PolarHBondContact OD1-N 2.86Å; N425-C427 VanDerWaalsContact OD1-N 3.11Å; C427-S436 PolarHBondContact O-N 2.7Å; C427-S436 PolarHBondContact O-OG 2.82Å; C427-C441 WeakPolarHBondContact CB-O 3.42Å; C427-A442 HydrophobicContact CB-CB 3.74Å; C427-C450 WeakPolarHBondContact CA-SG 3.46Å; C427-C450 HydrophobicContact CB-CB 3.56Å; C427-C450 WeakPolarHBondContact CB-SG 3.14Å; C427-C450 WeakPolarHBondContact SG-CA 3.33Å; C427-C450 WeakPolarHBondContact SG-CB 3.49Å; C427-C450 PolarHBondContact SG-N 3.35Å; C427-C450 VanDerWaalsContact SG-N 3.43Å; C427-C450 CovalentContact SG-SG 2.03Å; C427-C450 PolarHBondContact SG-SG 2.82Å
428	C	92.6	Very high	85.5	Confident	9 Å²	9	61.7 Å²	61.7	6%	0.061	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.3	-178.9	-164.5	0	0	0	0	112.2	C415 C417 N425 P426 A430 S436 A442	C415-C428 HydrophobicContact CB-CB 3.69Å; C415-C428 WeakPolarHBondContact CB-SG 3.44Å; C415-C428 PolarHBondContact O-SG 3.26Å; C415-C428 VanDerWaalsContact O-SG 3.34Å; C415-C428 WeakPolarHBondContact SG-CA 3.35Å; C415-C428 WeakPolarHBondContact SG-CB 3.28Å; C415-C428 CovalentContact SG-SG 2.03Å; C415-C428 PolarHBondContact SG-SG 2.79Å; C417-C428 HydrophobicContact CB-CB 4.41Å; N425-C428 PolarHBondContact O-N 3.25Å; P426-C428 VanDerWaalsContact C-N 3.27Å; P426-C428 PolarHBondContact O-N 2.77Å; C428-A430 PolarHBondContact O-N 2.96Å; C428-S436 PolarHBondContact N-OG 2.65Å; C428-A442 HydrophobicContact CB-CB 4.1Å
429	N	93.1	Very high	86.6	Confident	65 Å²	65	62.4 Å²	62.4	35%	0.348	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	96.6	168	-177.8	-2.3	0	0	0	110	T431 T432 C433 T434	N429-T431 PolarHBondContact O-N 3.4Å; N429-T431 WeakPolarHBondContact OD1-CB 3.5Å; N429-T431 PolarHBondContact OD1-N 2.98Å; N429-T431 VanDerWaalsContact OD1-N 3.09Å; N429-T432 VanDerWaalsContact CG-OG1 3.29Å; N429-T432 PolarHBondContact ND2-OG1 3.48Å; N429-T432 PolarHBondContact O-N 3.45Å; N429-C433 PolarHBondContact O-N 3.38Å; N429-T434 PolarHBondContact N-O 3.02Å
430	A	85.6	Confident	87.4	Confident	13 Å²	13	65.9 Å²	65.9	11%	0.107	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-8.7	178.7	0	0	0	0	0	115.6	V420 C423 C428	V420-A430 HydrophobicContact CG2-CB 4.09Å; C423-A430 HydrophobicContact CB-CB 3.62Å; C428-A430 PolarHBondContact O-N 2.96Å
431	T	85.3	Confident	87.8	Confident	99 Å²	99	62 Å²	62	61%	0.607	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-16.5	173.6	-51.9	0	0	0	0	112.8	N429	N429-T431 PolarHBondContact O-N 3.4Å; N429-T431 WeakPolarHBondContact OD1-CB 3.5Å; N429-T431 PolarHBondContact OD1-N 2.98Å; N429-T431 VanDerWaalsContact OD1-N 3.09Å
432	T	87.8	Confident	88.2	Confident	70 Å²	70	54.5 Å²	54.5	43%	0.429	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-8.1	-175	59.6	0	0	0	0	114.9	C404 N429 T434	C404-T432 VanDerWaalsContact SG-C 3.58Å; N429-T432 VanDerWaalsContact CG-OG1 3.29Å; N429-T432 PolarHBondContact ND2-OG1 3.48Å; N429-T432 PolarHBondContact O-N 3.45Å; T432-T434 PolarHBondContact O-N 3.43Å; T432-T434 VanDerWaalsContact O-N 3.1Å; T432-T434 PolarHBondContact OG1-OG1 3.47Å
433	C	87.1	Confident	88.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	35.5	-179.2	-65.3	0	0	0	0	113.2	C404 E413 Q414 C415 N429	C404-C433 WeakPolarHBondContact CA-SG 3.44Å; C404-C433 HydrophobicContact CB-CB 3.52Å; C404-C433 WeakPolarHBondContact CB-SG 3.35Å; C404-C433 WeakPolarHBondContact SG-CB 3.16Å; C404-C433 PolarHBondContact SG-N 2.84Å; C404-C433 CovalentContact SG-SG 2.03Å; C404-C433 PolarHBondContact SG-SG 3.26Å; E413-C433 CarbonylContact C-O 3.49Å; E413-C433 WeakPolarHBondContact CA-O 3.12Å; E413-C433 HydrophobicContact CB-CB 4.07Å; E413-C433 WeakPolarHBondContact CB-O 3.49Å; E413-C433 HydrophobicContact CG-CB 3.67Å; Q414-C433 PolarHBondContact N-O 2.9Å; C415-C433 PolarHBondContact N-O 2.96Å; C415-C433 CarbonylContact O-C 3.52Å; C415-C433 WeakPolarHBondContact O-CA 3.33Å; C415-C433 WeakPolarHBondContact O-CB 3.2Å; N429-C433 PolarHBondContact O-N 3.38Å
434	T	92.7	Very high	87.9	Confident	55 Å²	55	53.5 Å²	53.5	34%	0.337	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	153.5	169.9	54	0	0	0	0	109.4	C415 N429 T432 S436	C415-T434 VanDerWaalsContact SG-C 3.52Å; C415-T434 PolarHBondContact SG-O 3.07Å; C415-T434 VanDerWaalsContact SG-O 3.35Å; N429-T434 PolarHBondContact N-O 3.02Å; T432-T434 PolarHBondContact O-N 3.43Å; T432-T434 VanDerWaalsContact O-N 3.1Å; T432-T434 PolarHBondContact OG1-OG1 3.47Å; T434-S436 PolarHBondContact O-N 3.43Å
435	L	92.1	Very high	87.6	Confident	38 Å²	38	50.3 Å²	50.3	20%	0.199	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134	176.4	-75.6	171.6	0	0	0	110.9	Q414 C415 A442	Q414-L435 HydrophobicContact CB-CB 4.49Å; Q414-L435 HydrophobicContact CB-CD1 4.19Å; Q414-L435 HydrophobicContact CB-CG 3.79Å; C415-L435 HydrophobicContact CB-CD2 4.32Å; L435-A442 HydrophobicContact CD2-CB 3.92Å
436	S	92.2	Very high	87.6	Confident	34 Å²	34	49 Å²	49	24%	0.238	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-57	142.1	173.2	-68.8	0	0	0	0	110.4	P426 C427 C428 T434 G438 S439	P426-S436 VanDerWaalsContact O-CB 3.3Å; P426-S436 WeakPolarHBondContact O-CB 3.13Å; P426-S436 PolarHBondContact O-OG 2.85Å; C427-S436 PolarHBondContact O-N 2.7Å; C427-S436 PolarHBondContact O-OG 2.82Å; C428-S436 PolarHBondContact N-OG 2.65Å; T434-S436 PolarHBondContact O-N 3.43Å; S436-G438 PolarHBondContact O-N 2.65Å; S436-G438 VanDerWaalsContact O-N 3.09Å; S436-S439 WeakPolarHBondContact O-CB 3.34Å; S436-S439 PolarHBondContact O-N 2.88Å; S436-S439 PolarHBondContact O-OG 2.99Å
437	A	91	Very high	87.5	Confident	114 Å²	114	45.3 Å²	45.3	94%	0.942	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	116.8	-171.4	0	0	0	0	0	113.2
438	G	87.5	Confident	87.2	Confident	60 Å²	60	49.8 Å²	49.8	62%	0.619	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	-8.1	-177	0	0	0	0	0	115.3	S436 K451	S436-G438 PolarHBondContact O-N 2.65Å; S436-G438 VanDerWaalsContact O-N 3.09Å; G438-K451 PolarHBondContact O-NZ 2.87Å
439	S	93.3	Very high	87	Confident	24 Å²	24	55.7 Å²	55.7	17%	0.168	34%	0.342	C	S	.	.			trans	-73.8	150.7	173.2	-50.5	0	0	0	0	111.5	S436 C450	S436-S439 WeakPolarHBondContact O-CB 3.34Å; S436-S439 PolarHBondContact O-N 2.88Å; S436-S439 PolarHBondContact O-OG 2.99Å; S439-C450 CarbonylContact C-O 3.54Å; S439-C450 WeakPolarHBondContact CA-O 3.4Å; S439-C450 WeakPolarHBondContact OG-CB 3.08Å
440	Q	91.6	Very high	86.9	Confident	104 Å²	104	53.5 Å²	53.5	49%	0.486	33%	0.332	S	S	.	.	S	Bend	trans	-112.7	-19.5	173	-68.1	171.5	-39.4	0	0	112.2	C450 K451 I452	Q440-C450 PolarHBondContact N-O 3.09Å; Q440-K451 HydrophobicContact CG-CD 4.23Å; Q440-K451 VanDerWaalsContact OE1-CD 3.24Å; Q440-I452 HydrophobicContact CB-CD1 4.21Å; Q440-I452 HydrophobicContact CB-CG1 4.13Å
441	C	88.4	Confident	87.3	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.027	35%	0.347	C	S	.	.			trans	-154.9	164.4	179.9	63.1	0	0	0	0	108.6	C427 C447 C450 K451 I452 T477	C427-C441 WeakPolarHBondContact CB-O 3.42Å; C441-C447 HydrophobicContact CB-CB 3.81Å; C441-C447 WeakPolarHBondContact CB-SG 3.33Å; C441-C447 WeakPolarHBondContact SG-CA 3.47Å; C441-C447 WeakPolarHBondContact SG-CB 3.12Å; C441-C447 CovalentContact SG-SG 2.04Å; C441-C447 PolarHBondContact SG-SG 2.92Å; C441-C450 WeakPolarHBondContact O-CA 3.42Å; C441-K451 PolarHBondContact SG-O 3.39Å; C441-I452 HydrophobicContact CB-CG1 4.08Å; C441-T477 HydrophobicContact CB-CG2 3.4Å; C441-T477 VanDerWaalsContact CB-CG2 3.4Å
442	A	83.9	Confident	87.5	Confident	13 Å²	13	54.9 Å²	54.9	11%	0.107	33%	0.329	C	S	.	.	S	Bend	trans	-124.1	-29.4	169.6	0	0	0	0	0	113.2	C415 N425 C427 C428 L435	C415-A442 HydrophobicContact CB-CB 3.47Å; C415-A442 VanDerWaalsContact CB-CB 3.47Å; N425-A442 PolarHBondContact ND2-O 3.14Å; C427-A442 HydrophobicContact CB-CB 3.74Å; C428-A442 HydrophobicContact CB-CB 4.1Å; L435-A442 HydrophobicContact CD2-CB 3.92Å
443	E	76.3	Confident	87.4	Confident	106 Å²	106	53.2 Å²	53.2	50%	0.495	32%	0.316	S	S	.	.	S	Bend	trans	-141.7	173.4	-173.9	-54.6	-157.8	148.6	0	0	111.4	C447 T477	E443-C447 WeakPolarHBondContact O-CB 3.38Å; E443-T477 WeakPolarHBondContact O-CB 3.43Å
444	G	72.9	Confident	87.4	Confident	36 Å²	36	56.5 Å²	56.5	37%	0.371	34%	0.337	S	S	.	.	S	Bend	trans	95.8	153.7	-172.9	0	0	0	0	0	112.8	C446 C447 T477	G444-C446 PolarHBondContact O-N 2.85Å; G444-C447 WeakPolarHBondContact O-CB 3.32Å; G444-C447 PolarHBondContact O-N 3.37Å; G444-T477 CarbonylContact C-O 3.52Å; G444-T477 VanDerWaalsContact CA-O 3.26Å; G444-T477 WeakPolarHBondContact CA-O 3.36Å
445	E	78.3	Confident	87.1	Confident	73 Å²	73	57.4 Å²	57.4	34%	0.341	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.6	-173.2	-49.9	85.4	170.1	0	0	113.4	C447 C459 T477 C479	E445-C447 VanDerWaalsContact C-N 3.35Å; E445-C459 HydrophobicContact CB-CB 4.03Å; E445-T477 PolarHBondContact N-O 3.45Å; E445-C479 HydrophobicContact CB-CB 4.13Å; E445-C479 HydrophobicContact CG-CB 4.38Å; E445-C479 PolarHBondContact OE2-N 3.2Å
446	C	84.6	Confident	86.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	22	172.2	-67.9	0	0	0	0	112.6	G444 I452 Q453 C459 C472 S476 T477	G444-C446 PolarHBondContact O-N 2.85Å; C446-I452 CarbonylContact O-C 3.53Å; C446-I452 WeakPolarHBondContact O-CA 3.13Å; C446-Q453 HydrophobicContact CB-CB 4.35Å; C446-Q453 PolarHBondContact O-N 2.89Å; C446-C459 VanDerWaalsContact SG-SG 3.63Å; C446-C472 VanDerWaalsContact CA-SG 3.51Å; C446-C472 HydrophobicContact CB-CB 3.85Å; C446-C472 WeakPolarHBondContact CB-SG 3.36Å; C446-C472 WeakPolarHBondContact SG-CA 3.44Å; C446-C472 WeakPolarHBondContact SG-CB 3.47Å; C446-C472 CovalentContact SG-SG 2.04Å; C446-C472 PolarHBondContact SG-SG 3.01Å; C446-S476 VanDerWaalsContact CB-O 3.29Å; C446-S476 WeakPolarHBondContact CB-O 3.26Å; C446-T477 CarbonylContact C-O 3.5Å; C446-T477 WeakPolarHBondContact CA-O 3.23Å; C446-T477 WeakPolarHBondContact CB-O 3.34Å; C446-T477 PolarHBondContact N-O 3.41Å
447	C	87.3	Confident	86.2	Confident	25 Å²	25	57.2 Å²	57.2	17%	0.169	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.9	170.2	-169.6	0	0	0	0	111.3	C441 E443 G444 E445 K451	C441-C447 HydrophobicContact CB-CB 3.81Å; C441-C447 WeakPolarHBondContact CB-SG 3.33Å; C441-C447 WeakPolarHBondContact SG-CA 3.47Å; C441-C447 WeakPolarHBondContact SG-CB 3.12Å; C441-C447 CovalentContact SG-SG 2.04Å; C441-C447 PolarHBondContact SG-SG 2.92Å; E443-C447 WeakPolarHBondContact O-CB 3.38Å; G444-C447 WeakPolarHBondContact O-CB 3.32Å; G444-C447 PolarHBondContact O-N 3.37Å; E445-C447 VanDerWaalsContact C-N 3.35Å; C447-K451 WeakPolarHBondContact CA-O 3.32Å
448	E	87.4	Confident	85.9	Confident	104 Å²	104	55.7 Å²	55.7	49%	0.486	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.4	172.5	-162.1	-160.4	163.5	0	0	110.3	C450 K451 Q453	E448-C450 PolarHBondContact O-N 3.23Å; E448-C450 VanDerWaalsContact O-N 3.09Å; E448-K451 PolarHBondContact N-O 2.99Å; E448-K451 PolarHBondContact O-N 2.87Å; E448-Q453 HydrophobicContact CB-CG 4.45Å; E448-Q453 PolarHBondContact OE2-NE2 2.8Å
449	N	88.8	Confident	85.5	Confident	132 Å²	132	53.7 Å²	53.7	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	38	-178.6	-59.5	-63.1	0	0	0	113	K451	N449-K451 PolarHBondContact O-N 3.43Å
450	C	91.8	Very high	85	Confident	20 Å²	20	52.9 Å²	52.9	14%	0.135	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	19.7	-177.1	-38.6	0	0	0	0	115.2	C427 S439 Q440 C441 E448	C427-C450 WeakPolarHBondContact CA-SG 3.46Å; C427-C450 HydrophobicContact CB-CB 3.56Å; C427-C450 WeakPolarHBondContact CB-SG 3.14Å; C427-C450 WeakPolarHBondContact SG-CA 3.33Å; C427-C450 WeakPolarHBondContact SG-CB 3.49Å; C427-C450 PolarHBondContact SG-N 3.35Å; C427-C450 VanDerWaalsContact SG-N 3.43Å; C427-C450 CovalentContact SG-SG 2.03Å; C427-C450 PolarHBondContact SG-SG 2.82Å; S439-C450 CarbonylContact C-O 3.54Å; S439-C450 WeakPolarHBondContact CA-O 3.4Å; S439-C450 WeakPolarHBondContact OG-CB 3.08Å; Q440-C450 PolarHBondContact N-O 3.09Å; C441-C450 WeakPolarHBondContact O-CA 3.42Å; E448-C450 PolarHBondContact O-N 3.23Å; E448-C450 VanDerWaalsContact O-N 3.09Å
451	K	92.6	Very high	84.3	Confident	96 Å²	96	56.7 Å²	56.7	42%	0.417	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.4	178	-61.2	-61	-179	-177.3	0	111	G438 Q440 C441 C447 E448 N449 Q453	G438-K451 PolarHBondContact O-NZ 2.87Å; Q440-K451 HydrophobicContact CG-CD 4.23Å; Q440-K451 VanDerWaalsContact OE1-CD 3.24Å; C441-K451 PolarHBondContact SG-O 3.39Å; C447-K451 WeakPolarHBondContact CA-O 3.32Å; E448-K451 PolarHBondContact N-O 2.99Å; E448-K451 PolarHBondContact O-N 2.87Å; N449-K451 PolarHBondContact O-N 3.43Å; K451-Q453 PolarHBondContact O-N 2.97Å
452	I	89.4	Confident	83.8	Confident	44 Å²	44	61.3 Å²	61.3	23%	0.226	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.2	172	-64.3	167.9	0	0	0	107.3	Q440 C441 C446 S476 T477	Q440-I452 HydrophobicContact CB-CD1 4.21Å; Q440-I452 HydrophobicContact CB-CG1 4.13Å; C441-I452 HydrophobicContact CB-CG1 4.08Å; C446-I452 CarbonylContact O-C 3.53Å; C446-I452 WeakPolarHBondContact O-CA 3.13Å; I452-S476 WeakPolarHBondContact CG2-O 3.28Å; I452-T477 HydrophobicContact CD1-CG2 4.43Å; I452-T477 HydrophobicContact CG1-CG2 4.14Å
453	Q	87.3	Confident	83	Confident	35 Å²	35	67.1 Å²	67.1	16%	0.164	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-59.6	138.9	178.7	-74	-72	17.6	0	0	110.4	C446 E448 K451 I457 C472	C446-Q453 HydrophobicContact CB-CB 4.35Å; C446-Q453 PolarHBondContact O-N 2.89Å; E448-Q453 HydrophobicContact CB-CG 4.45Å; E448-Q453 PolarHBondContact OE2-NE2 2.8Å; K451-Q453 PolarHBondContact O-N 2.97Å; Q453-I457 HydrophobicContact CB-CB 4.19Å; Q453-I457 HydrophobicContact CB-CG1 4.34Å; Q453-I457 HydrophobicContact CB-CG2 4.25Å; Q453-I457 HydrophobicContact CG-CG2 4.14Å; Q453-C472 HydrophobicContact CB-CB 3.99Å
454	P	86.9	Confident	83.1	Confident	69 Å²	69	64.4 Å²	64.4	45%	0.448	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-63.5	168.9	173.5	27.2	-33.1	0	0	0	111.5	I457	P454-I457 HydrophobicContact CG-CD1 4.29Å; P454-I457 HydrophobicContact CG-CG1 3.78Å; P454-I457 WeakPolarHBondContact O-CG1 3.43Å
455	R	84.6	Confident	83.6	Confident	75 Å²	75	66.5 Å²	66.5	28%	0.283	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	151.7	179.9	-176.9	166.8	-65.8	171	0.2	112	I457 C472 D473 D655	R455-I457 PolarHBondContact O-N 2.88Å; R455-C472 VanDerWaalsContact CA-O 3.26Å; R455-C472 WeakPolarHBondContact CA-O 3.5Å; R455-D473 VanDerWaalsContact CZ-O 3.27Å; R455-D473 PolarHBondContact NE-O 3.48Å; R455-D473 PolarHBondContact NH2-O 3.37Å; R455-D655 WeakPolarHBondContact CB-OD2 3.27Å; R455-D655 WeakPolarHBondContact CD-OD2 3.22Å
456	S	83.1	Confident	83.9	Confident	10 Å²	10	63 Å²	63	7%	0.07	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	7.1	177.8	-66.8	0	0	0	0	115.5	Y471 C472 G645 F658	S456-Y471 WeakPolarHBondContact O-CD1 3.4Å; S456-C472 PolarHBondContact N-O 2.8Å; S456-C472 VanDerWaalsContact N-O 3.09Å; S456-G645 PolarHBondContact OG-N 3.09Å; S456-G645 VanDerWaalsContact OG-N 3.12Å; S456-F658 VanDerWaalsContact CB-CD2 3.44Å; S456-F658 WeakPolarHBondContact O-CE2 3.32Å
457	I	84.1	Confident	83.7	Confident	58 Å²	58	63.5 Å²	63.5	30%	0.297	30%	0.304	S	S	.	.			trans	-72.6	126.8	165.5	-61.8	-61.3	0	0	0	109.7	Q453 P454 R455 C459 Y471 C472	Q453-I457 HydrophobicContact CB-CB 4.19Å; Q453-I457 HydrophobicContact CB-CG1 4.34Å; Q453-I457 HydrophobicContact CB-CG2 4.25Å; Q453-I457 HydrophobicContact CG-CG2 4.14Å; P454-I457 HydrophobicContact CG-CD1 4.29Å; P454-I457 HydrophobicContact CG-CG1 3.78Å; P454-I457 WeakPolarHBondContact O-CG1 3.43Å; R455-I457 PolarHBondContact O-N 2.88Å; I457-C459 PolarHBondContact O-N 2.9Å; I457-Y471 CarbonylContact O-C 3.55Å; I457-Y471 WeakPolarHBondContact O-CA 3.25Å; I457-C472 HydrophobicContact CB-CB 4.48Å; I457-C472 PolarHBondContact O-N 3.08Å
458	E	83.3	Confident	83.5	Confident	82 Å²	82	63.2 Å²	63.2	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	109.9	179.2	-178.7	-175.9	77.2	0	0	111	R461 Y471	E458-R461 HydrophobicContact CG-CG 4.07Å; E458-R461 WeakPolarHBondContact OE1-CG 3.2Å; E458-R461 IonicContact OE1-CZ 3.12Å; E458-R461 VanDerWaalsContact OE1-CZ 3.26Å; E458-R461 IonicContact OE1-NE 3.89Å; E458-R461 PolarHBondContact OE1-NE 3.44Å; E458-R461 IonicContact OE1-NH2 3.75Å; E458-R461 PolarHBondContact OE1-NH2 2.83Å; E458-Y471 HydrophobicContact CB-CD1 4.06Å; E458-Y471 HydrophobicContact CB-CE1 4Å; E458-Y471 HydrophobicContact CG-CE1 4.38Å
459	C	80.4	Confident	83.3	Confident	17 Å²	17	58.7 Å²	58.7	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-26.4	175.6	56	0	0	0	0	112.8	E445 C446 I457 E470 C479	E445-C459 HydrophobicContact CB-CB 4.03Å; C446-C459 VanDerWaalsContact SG-SG 3.63Å; I457-C459 PolarHBondContact O-N 2.9Å; C459-E470 PolarHBondContact N-O 2.61Å; C459-E470 PolarHBondContact SG-O 3.17Å; C459-C479 VanDerWaalsContact C-SG 3.56Å; C459-C479 HydrophobicContact CB-CB 3.73Å; C459-C479 WeakPolarHBondContact CB-SG 3.44Å; C459-C479 WeakPolarHBondContact SG-CA 3.48Å; C459-C479 WeakPolarHBondContact SG-CB 3.31Å; C459-C479 CovalentContact SG-SG 2.04Å; C459-C479 PolarHBondContact SG-SG 2.92Å
460	R	81.2	Confident	83.2	Confident	8 Å²	8	52.5 Å²	52.5	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.1	166.3	-178.6	173.2	87.7	85.5	19	110.2	R186 D467 L468 A469 E470 D482	R186-R460 WeakPolarHBondContact O-CD 3.39Å; R460-D467 IonicContact CZ-OD1 2.73Å; R460-D467 IonicContact CZ-OD2 2.92Å; R460-D467 IonicContact NH1-OD1 2.93Å; R460-D467 PolarHBondContact NH1-OD1 3.25Å; R460-D467 IonicContact NH1-OD2 2.65Å; R460-D467 PolarHBondContact NH1-OD2 2.88Å; R460-D467 IonicContact NH2-OD1 3.19Å; R460-D467 PolarHBondContact NH2-OD1 3.09Å; R460-D467 IonicContact NH2-OD2 2.83Å; R460-L468 PolarHBondContact NH2-O 2.84Å; R460-L468 VanDerWaalsContact NH2-O 3.08Å; R460-A469 CarbonylContact O-C 3.59Å; R460-A469 WeakPolarHBondContact O-CA 3.43Å; R460-A469 WeakPolarHBondContact O-CB 3.1Å; R460-E470 HydrophobicContact CB-CB 4.41Å; R460-E470 WeakPolarHBondContact CB-OE2 3.24Å; R460-E470 IonicContact CZ-OE1 2.82Å; R460-E470 IonicContact CZ-OE2 2.78Å; R460-E470 PolarHBondContact N-O 3.03Å; R460-E470 IonicContact NE-OE1 3.85Å; R460-E470 IonicContact NE-OE2 3.66Å; R460-E470 PolarHBondContact NE-OE2 3.34Å; R460-E470 VanDerWaalsContact NH2-CD 3.26Å; R460-E470 IonicContact NH2-OE1 2.65Å; R460-E470 PolarHBondContact NH2-OE1 3.13Å; R460-E470 IonicContact NH2-OE2 3.82Å; R460-E470 PolarHBondContact NH2-OE2 3.29Å; R460-E470 PolarHBondContact O-N 3.28Å; R460-E470 VanDerWaalsContact O-N 3.17Å; R460-D482 IonicContact CZ-OD1 2.67Å; R460-D482 IonicContact CZ-OD2 3.48Å; R460-D482 VanDerWaalsContact CZ-OD2 3.23Å; R460-D482 IonicContact NE-OD2 3.15Å; R460-D482 IonicContact NH1-OD1 2.64Å; R460-D482 IonicContact NH1-OD2 2.65Å; R460-D482 PolarHBondContact NH1-OD2 2.86Å; R460-D482 VanDerWaalsContact NH1-OD2 3.13Å; R460-D482 IonicContact NH2-OD1 2.72Å; R460-D482 PolarHBondContact NH2-OD1 2.84Å; R460-D482 IonicContact NH2-OD2 2.72Å
461	R	78	Confident	82.9	Confident	184 Å²	184	54 Å²	54	69%	0.694	25%	0.251	S	S	*	.			trans	-80.1	137.1	170.4	-79.3	176.1	179.8	126.4	26.4	110.4	E458 K463	E458-R461 HydrophobicContact CG-CG 4.07Å; E458-R461 WeakPolarHBondContact OE1-CG 3.2Å; E458-R461 IonicContact OE1-CZ 3.12Å; E458-R461 VanDerWaalsContact OE1-CZ 3.26Å; E458-R461 IonicContact OE1-NE 3.89Å; E458-R461 PolarHBondContact OE1-NE 3.44Å; E458-R461 IonicContact OE1-NH2 3.75Å; E458-R461 PolarHBondContact OE1-NH2 2.83Å; R461-K463 PolarHBondContact O-N 3.02Å
462	K	78.6	Confident	82.6	Confident	100 Å²	100	49.5 Å²	49.5	44%	0.435	23%	0.232	S	C	.	.			trans	-56	131.8	166.4	77.3	177.2	-156.6	113	0	110.3	D464 D465 D467 L468 A469	K462-D464 PolarHBondContact NZ-O 3.47Å; K462-D465 IonicContact NZ-OD1 3.26Å; K462-D465 PolarHBondContact NZ-OD1 3.42Å; K462-D467 HydrophobicContact CB-CB 4.18Å; K462-D467 WeakPolarHBondContact CB-O 3.45Å; K462-L468 WeakPolarHBondContact CA-O 3.27Å; K462-L468 VanDerWaalsContact CB-C 3.47Å; K462-L468 WeakPolarHBondContact CB-O 3.44Å; K462-A469 HydrophobicContact CB-CB 4.22Å
463	K	66.6	Low	82.4	Confident	136 Å²	136	49.9 Å²	49.9	59%	0.591	24%	0.235	S	C	*	.			trans	-77.7	-41.8	-179.4	178	170.4	178.6	157.7	0	113.3	R461 D467	R461-K463 PolarHBondContact O-N 3.02Å; K463-D467 HydrophobicContact CB-CB 4.35Å; K463-D467 WeakPolarHBondContact CB-OD2 3.42Å; K463-D467 PolarHBondContact N-OD2 3.38Å
464	D	77.6	Confident	82.4	Confident	49 Å²	49	49.9 Å²	49.9	26%	0.262	24%	0.244	S	C	.	.	S	Bend	trans	-145.5	-166.6	-174.9	60.6	62	0	0	0	111.2	R184 K462 C466	R184-D464 IonicContact NH1-OD2 3.66Å; R184-D464 PolarHBondContact NH1-OD2 2.79Å; K462-D464 PolarHBondContact NZ-O 3.47Å; D464-C466 VanDerWaalsContact C-N 3.31Å; D464-C466 WeakPolarHBondContact OD1-CB 3.37Å; D464-C466 PolarHBondContact OD1-N 2.76Å
465	D	84.8	Confident	82.3	Confident	79 Å²	79	54 Å²	54	42%	0.422	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.7	-178.5	-72.3	-26.2	0	0	0	113.5	K462 C491 D492	K462-D465 IonicContact NZ-OD1 3.26Å; K462-D465 PolarHBondContact NZ-OD1 3.42Å; D465-C491 HydrophobicContact CB-CB 3.81Å; D465-D492 PolarHBondContact OD2-N 2.9Å
466	C	82.6	Confident	82.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	4.2	179.1	-61.6	0	0	0	0	113.5	D464 F484 A485 C491 C498 Q502	D464-C466 VanDerWaalsContact C-N 3.31Å; D464-C466 WeakPolarHBondContact OD1-CB 3.37Å; D464-C466 PolarHBondContact OD1-N 2.76Å; C466-F484 WeakPolarHBondContact O-CB 3.27Å; C466-A485 WeakPolarHBondContact O-CB 3.47Å; C466-A485 PolarHBondContact O-N 2.87Å; C466-C491 WeakPolarHBondContact SG-CB 3.04Å; C466-C491 VanDerWaalsContact SG-SG 3.66Å; C466-C498 WeakPolarHBondContact CA-SG 3.32Å; C466-C498 HydrophobicContact CB-CB 3.71Å; C466-C498 WeakPolarHBondContact CB-SG 3.37Å; C466-C498 WeakPolarHBondContact SG-CA 3.49Å; C466-C498 WeakPolarHBondContact SG-CB 3.19Å; C466-C498 CovalentContact SG-SG 2.04Å; C466-C498 PolarHBondContact SG-SG 3.08Å; C466-Q502 VanDerWaalsContact SG-C 3.57Å; C466-Q502 PolarHBondContact SG-O 3.43Å
467	D	81.7	Confident	82.1	Confident	10 Å²	10	54.5 Å²	54.5	5%	0.053	27%	0.268	C	S	.	.			trans	-107.3	148.4	178.6	-162.3	12.5	0	0	0	109.7	R460 K462 K463	R460-D467 IonicContact CZ-OD1 2.73Å; R460-D467 IonicContact CZ-OD2 2.92Å; R460-D467 IonicContact NH1-OD1 2.93Å; R460-D467 PolarHBondContact NH1-OD1 3.25Å; R460-D467 IonicContact NH1-OD2 2.65Å; R460-D467 PolarHBondContact NH1-OD2 2.88Å; R460-D467 IonicContact NH2-OD1 3.19Å; R460-D467 PolarHBondContact NH2-OD1 3.09Å; R460-D467 IonicContact NH2-OD2 2.83Å; K462-D467 HydrophobicContact CB-CB 4.18Å; K462-D467 WeakPolarHBondContact CB-O 3.45Å; K463-D467 HydrophobicContact CB-CB 4.35Å; K463-D467 WeakPolarHBondContact CB-OD2 3.42Å; K463-D467 PolarHBondContact N-OD2 3.38Å
468	L	82.1	Confident	81.8	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.099	28%	0.276	C	S	.	.			trans	-103.9	175.6	171.6	-50.2	178.7	0	0	0	109.5	R460 K462 V483 A485 V633 N635	R460-L468 PolarHBondContact NH2-O 2.84Å; R460-L468 VanDerWaalsContact NH2-O 3.08Å; K462-L468 WeakPolarHBondContact CA-O 3.27Å; K462-L468 VanDerWaalsContact CB-C 3.47Å; K462-L468 WeakPolarHBondContact CB-O 3.44Å; L468-V483 WeakPolarHBondContact CB-O 3.38Å; L468-V483 WeakPolarHBondContact CD1-O 3.44Å; L468-V483 WeakPolarHBondContact CG-O 3.3Å; L468-A485 HydrophobicContact CD2-CB 3.74Å; L468-A485 HydrophobicContact CG-CB 4.16Å; L468-V633 HydrophobicContact CD1-CG1 4.37Å; L468-V633 HydrophobicContact CD2-CB 4.4Å; L468-V633 HydrophobicContact CD2-CG1 3.74Å; L468-N635 HydrophobicContact CD1-CB 3.93Å
469	A	83.9	Confident	81.5	Confident	9 Å²	9	52.3 Å²	52.3	7%	0.074	26%	0.264	C	S	.	.			trans	-116.8	125.3	178.1	0	0	0	0	0	108.6	R460 K462 Y471 Q641	R460-A469 CarbonylContact O-C 3.59Å; R460-A469 WeakPolarHBondContact O-CA 3.43Å; R460-A469 WeakPolarHBondContact O-CB 3.1Å; K462-A469 HydrophobicContact CB-CB 4.22Å; A469-Y471 HydrophobicContact CB-CE1 4.4Å; A469-Y471 WeakPolarHBondContact O-CD2 3.3Å; A469-Y471 WeakPolarHBondContact O-CE2 3.47Å; A469-Q641 PolarHBondContact O-NE2 3.21Å
470	E	85.8	Confident	81.5	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.5	-179.3	-65.8	71.5	-162.3	0	0	110.6	C459 R460 P480 V483	C459-E470 PolarHBondContact N-O 2.61Å; C459-E470 PolarHBondContact SG-O 3.17Å; R460-E470 HydrophobicContact CB-CB 4.41Å; R460-E470 WeakPolarHBondContact CB-OE2 3.24Å; R460-E470 IonicContact CZ-OE1 2.82Å; R460-E470 IonicContact CZ-OE2 2.78Å; R460-E470 PolarHBondContact N-O 3.03Å; R460-E470 IonicContact NE-OE1 3.85Å; R460-E470 IonicContact NE-OE2 3.66Å; R460-E470 PolarHBondContact NE-OE2 3.34Å; R460-E470 VanDerWaalsContact NH2-CD 3.26Å; R460-E470 IonicContact NH2-OE1 2.65Å; R460-E470 PolarHBondContact NH2-OE1 3.13Å; R460-E470 IonicContact NH2-OE2 3.82Å; R460-E470 PolarHBondContact NH2-OE2 3.29Å; R460-E470 PolarHBondContact O-N 3.28Å; R460-E470 VanDerWaalsContact O-N 3.17Å; E470-P480 HydrophobicContact CB-CB 4.48Å; E470-P480 HydrophobicContact CG-CB 4.48Å; E470-V483 HydrophobicContact CG-CG2 4.02Å; E470-V483 VanDerWaalsContact OE1-CG2 3.29Å; E470-V483 WeakPolarHBondContact OE1-CG2 3.42Å; E470-V483 PolarHBondContact OE1-N 3.08Å
471	Y	85.6	Confident	81	Confident	51 Å²	51	60 Å²	60	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.7	-176.2	-51.3	-74.3	0	0	0	109.9	S456 I457 E458 A469 P480 P644	S456-Y471 WeakPolarHBondContact O-CD1 3.4Å; I457-Y471 CarbonylContact O-C 3.55Å; I457-Y471 WeakPolarHBondContact O-CA 3.25Å; E458-Y471 HydrophobicContact CB-CD1 4.06Å; E458-Y471 HydrophobicContact CB-CE1 4Å; E458-Y471 HydrophobicContact CG-CE1 4.38Å; A469-Y471 HydrophobicContact CB-CE1 4.4Å; A469-Y471 WeakPolarHBondContact O-CD2 3.3Å; A469-Y471 WeakPolarHBondContact O-CE2 3.47Å; Y471-P480 WeakPolarHBondContact O-CG 3.3Å; Y471-P644 HydrophobicContact CD1-CG 4.21Å; Y471-P644 HydrophobicContact CE1-CG 3.57Å; Y471-P644 HydrophobicContact CE2-CG 4.01Å; Y471-P644 VanDerWaalsContact CZ-CG 3.45Å
472	C	86.6	Confident	80.5	Confident	2 Å²	2	52 Å²	52	1%	0.014	27%	0.274	C	S	.	.			trans	-54.6	141.8	172	-57.1	0	0	0	0	110.6	C446 Q453 R455 S456 I457	C446-C472 VanDerWaalsContact CA-SG 3.51Å; C446-C472 HydrophobicContact CB-CB 3.85Å; C446-C472 WeakPolarHBondContact CB-SG 3.36Å; C446-C472 WeakPolarHBondContact SG-CA 3.44Å; C446-C472 WeakPolarHBondContact SG-CB 3.47Å; C446-C472 CovalentContact SG-SG 2.04Å; C446-C472 PolarHBondContact SG-SG 3.01Å; Q453-C472 HydrophobicContact CB-CB 3.99Å; R455-C472 VanDerWaalsContact CA-O 3.26Å; R455-C472 WeakPolarHBondContact CA-O 3.5Å; S456-C472 PolarHBondContact N-O 2.8Å; S456-C472 VanDerWaalsContact N-O 3.09Å; I457-C472 HydrophobicContact CB-CB 4.48Å; I457-C472 PolarHBondContact O-N 3.08Å
473	D	85.5	Confident	80.2	Confident	53 Å²	53	47.9 Å²	47.9	28%	0.283	26%	0.257	S	S	.	.			trans	-88.2	-8.1	-178.5	81.6	-41.2	0	0	0	112.8	R455 K475 S476	R455-D473 VanDerWaalsContact CZ-O 3.27Å; R455-D473 PolarHBondContact NE-O 3.48Å; R455-D473 PolarHBondContact NH2-O 3.37Å; D473-K475 PolarHBondContact OD1-N 2.91Å; D473-K475 WeakPolarHBondContact OD2-CB 3.39Å; D473-S476 WeakPolarHBondContact OD1-CB 3.32Å; D473-S476 PolarHBondContact OD1-N 3.14Å
474	G	86.6	Confident	80.8	Confident	35 Å²	35	42.8 Å²	42.8	36%	0.361	24%	0.235	S	C	.	.	S	Bend	trans	85.9	13.1	-174.1	0	0	0	0	0	114.9
475	K	86.3	Confident	80.8	Confident	155 Å²	155	40.5 Å²	40.5	67%	0.674	22%	0.223	S	C	*	.	S	Bend	trans	-142.7	-34.2	-177.6	-51.9	176.3	179	176.7	0	114.3	D473	D473-K475 PolarHBondContact OD1-N 2.91Å; D473-K475 WeakPolarHBondContact OD2-CB 3.39Å
476	S	82.8	Confident	80.6	Confident	47 Å²	47	37 Å²	37	33%	0.329	21%	0.205	S	C	.	.			trans	-84.4	144	178.6	-179	0	0	0	0	111.4	C446 I452 D473 T478	C446-S476 VanDerWaalsContact CB-O 3.29Å; C446-S476 WeakPolarHBondContact CB-O 3.26Å; I452-S476 WeakPolarHBondContact CG2-O 3.28Å; D473-S476 WeakPolarHBondContact OD1-CB 3.32Å; D473-S476 PolarHBondContact OD1-N 3.14Å; S476-T478 WeakPolarHBondContact CB-O 3.45Å; S476-T478 PolarHBondContact OG-N 3.09Å; S476-T478 VanDerWaalsContact OG-N 3.11Å; S476-T478 PolarHBondContact OG-O 2.94Å
477	T	79.6	Confident	80.4	Confident	48 Å²	48	38.7 Å²	38.7	29%	0.294	21%	0.214	S	C	.	.	S	Bend	trans	-80.5	-28.7	168.4	52.8	0	0	0	0	112.5	C441 E443 G444 E445 C446 I452	C441-T477 HydrophobicContact CB-CG2 3.4Å; C441-T477 VanDerWaalsContact CB-CG2 3.4Å; E443-T477 WeakPolarHBondContact O-CB 3.43Å; G444-T477 CarbonylContact C-O 3.52Å; G444-T477 VanDerWaalsContact CA-O 3.26Å; G444-T477 WeakPolarHBondContact CA-O 3.36Å; E445-T477 PolarHBondContact N-O 3.45Å; C446-T477 CarbonylContact C-O 3.5Å; C446-T477 WeakPolarHBondContact CA-O 3.23Å; C446-T477 WeakPolarHBondContact CB-O 3.34Å; C446-T477 PolarHBondContact N-O 3.41Å; I452-T477 HydrophobicContact CD1-CG2 4.43Å; I452-T477 HydrophobicContact CG1-CG2 4.14Å
478	T	77.4	Confident	80.4	Confident	76 Å²	76	39 Å²	39	47%	0.466	22%	0.22	S	C	.	.	S	Bend	trans	-92.5	144.2	179.4	-44.1	0	0	0	0	110	S476	S476-T478 WeakPolarHBondContact CB-O 3.45Å; S476-T478 PolarHBondContact OG-N 3.09Å; S476-T478 VanDerWaalsContact OG-N 3.11Å; S476-T478 PolarHBondContact OG-O 2.94Å
479	C	77.9	Confident	80.5	Confident	19 Å²	19	40.7 Å²	40.7	13%	0.128	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-59	146	170	-158.7	0	0	0	0	110.8	E445 C459	E445-C479 HydrophobicContact CB-CB 4.13Å; E445-C479 HydrophobicContact CG-CB 4.38Å; E445-C479 PolarHBondContact OE2-N 3.2Å; C459-C479 VanDerWaalsContact C-SG 3.56Å; C459-C479 HydrophobicContact CB-CB 3.73Å; C459-C479 WeakPolarHBondContact CB-SG 3.44Å; C459-C479 WeakPolarHBondContact SG-CA 3.48Å; C459-C479 WeakPolarHBondContact SG-CB 3.31Å; C459-C479 CovalentContact SG-SG 2.04Å; C459-C479 PolarHBondContact SG-SG 2.92Å
480	P	79.9	Confident	80.8	Confident	57 Å²	57	44.2 Å²	44.2	37%	0.37	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-57.5	161.8	171.1	-25.9	36.1	0	0	0	113.2	E470 Y471	E470-P480 HydrophobicContact CB-CB 4.48Å; E470-P480 HydrophobicContact CG-CB 4.48Å; Y471-P480 WeakPolarHBondContact O-CG 3.3Å
481	E	70.1	Confident	81	Confident	128 Å²	128	44.1 Å²	44.1	60%	0.598	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-56.4	140.9	177.6	-61.1	-175.9	141.9	0	0	112.5	V483 R637	E481-V483 PolarHBondContact O-N 3.41Å; E481-R637 IonicContact OE2-CZ 3.83Å; E481-R637 IonicContact OE2-NH1 2.95Å; E481-R637 PolarHBondContact OE2-NH1 3.19Å; E481-R637 IonicContact OE2-NH2 2.69Å; E481-R637 PolarHBondContact OE2-NH2 3.01Å
482	D	68.1	Low	81.2	Confident	17 Å²	17	44.5 Å²	44.5	9%	0.091	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-55.2	118.8	175.2	-170.6	-42.6	0	0	0	111	R186 R460	R186-D482 PolarHBondContact N-OD2 3.43Å; R460-D482 IonicContact CZ-OD1 2.67Å; R460-D482 IonicContact CZ-OD2 3.48Å; R460-D482 VanDerWaalsContact CZ-OD2 3.23Å; R460-D482 IonicContact NE-OD2 3.15Å; R460-D482 IonicContact NH1-OD1 2.64Å; R460-D482 IonicContact NH1-OD2 2.65Å; R460-D482 PolarHBondContact NH1-OD2 2.86Å; R460-D482 VanDerWaalsContact NH1-OD2 3.13Å; R460-D482 IonicContact NH2-OD1 2.72Å; R460-D482 PolarHBondContact NH2-OD1 2.84Å; R460-D482 IonicContact NH2-OD2 2.72Å
483	V	72.5	Confident	81.2	Confident	14 Å²	14	54 Å²	54	9%	0.085	30%	0.296	C	S	.	.			trans	-125.3	96.8	-178.3	-78.3	0	0	0	0	111.7	L468 E470 E481 N635	L468-V483 WeakPolarHBondContact CB-O 3.38Å; L468-V483 WeakPolarHBondContact CD1-O 3.44Å; L468-V483 WeakPolarHBondContact CG-O 3.3Å; E470-V483 HydrophobicContact CG-CG2 4.02Å; E470-V483 VanDerWaalsContact OE1-CG2 3.29Å; E470-V483 WeakPolarHBondContact OE1-CG2 3.42Å; E470-V483 PolarHBondContact OE1-N 3.08Å; E481-V483 PolarHBondContact O-N 3.41Å; V483-N635 HydrophobicContact CB-CB 4.22Å
484	F	78.3	Confident	81.3	Confident	28 Å²	28	53.2 Å²	53.2	12%	0.123	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-70.7	160.6	173	59.6	-92.3	0	0	0	113.9	C466 N500 G501 H636	C466-F484 WeakPolarHBondContact O-CB 3.27Å; F484-N500 HydrophobicContact CE2-CB 4.5Å; F484-G501 VanDerWaalsContact CB-CA 3.49Å; F484-H636 AromaticContact CD1-CE1 3.85Å; F484-H636 AromaticContact CD1-ND1 3.51Å; F484-H636 HydrophobicContact CD2-CB 3.55Å; F484-H636 AromaticContact CD2-CG 3.89Å; F484-H636 AromaticContact CD2-ND1 3.84Å; F484-H636 HydrophobicContact CE1-CB 4.34Å; F484-H636 AromaticContact CE1-CE1 3.66Å; F484-H636 AromaticContact CE1-CG 3.74Å; F484-H636 AromaticContact CE1-ND1 3.51Å; F484-H636 HydrophobicContact CE2-CB 3.15Å; F484-H636 AromaticContact CE2-CG 3.51Å; F484-H636 AromaticContact CE2-ND1 3.85Å; F484-H636 HydrophobicContact CG-CB 4.31Å; F484-H636 AromaticContact CG-ND1 3.68Å; F484-H636 HydrophobicContact CZ-CB 3.6Å; F484-H636 AromaticContact CZ-CD2 3.77Å; F484-H636 AromaticContact CZ-CG 3.42Å; F484-H636 VanDerWaalsContact CZ-CG 3.42Å; F484-H636 AromaticContact CZ-ND1 3.69Å; F484-H636 PolarHBondContact N-ND1 3.25Å; F484-H636 PolarHBondContact O-N 2.93Å; F484-H636 PolarHBondContact O-ND1 3.32Å
485	A	79.2	Confident	81.3	Confident	1 Å²	1	57 Å²	57	1%	0.008	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-70.6	151.8	-174.2	0	0	0	0	0	112.8	C466 L468 L489	C466-A485 WeakPolarHBondContact O-CB 3.47Å; C466-A485 PolarHBondContact O-N 2.87Å; L468-A485 HydrophobicContact CD2-CB 3.74Å; L468-A485 HydrophobicContact CG-CB 4.16Å; A485-L489 HydrophobicContact CB-CD1 3.83Å
486	V	80.1	Confident	81.6	Confident	6 Å²	6	49.7 Å²	49.7	4%	0.036	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.9	142.9	-178.4	70.6	0	0	0	0	113.2	G488 L489 N621 C634	V486-G488 PolarHBondContact O-N 2.97Å; V486-L489 HydrophobicContact CG1-CD1 3.77Å; V486-L489 HydrophobicContact CG1-CG 3.98Å; V486-L489 PolarHBondContact O-N 3.46Å; V486-N621 HydrophobicContact CG2-CB 4.31Å; V486-N621 WeakPolarHBondContact CG2-ND2 3.34Å; V486-C634 HydrophobicContact CB-CB 4.25Å; V486-C634 HydrophobicContact CG1-CB 3.86Å; V486-C634 PolarHBondContact N-O 3.24Å
487	N	78.5	Confident	81.9	Confident	36 Å²	36	48.8 Å²	48.8	19%	0.193	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	132.9	-179.1	-67.1	-7.8	0	0	0	111.6	C498 Y499 N500 Y619	N487-C498 CarbonylContact C-O 3.38Å; N487-C498 VanDerWaalsContact CA-O 3.26Å; N487-C498 WeakPolarHBondContact CA-O 3.24Å; N487-Y499 HydrophobicContact CB-CD2 4.44Å; N487-Y499 WeakPolarHBondContact ND2-CD2 3.39Å; N487-Y499 WeakPolarHBondContact OD1-CA 3.46Å; N487-N500 PolarHBondContact ND2-OD1 2.93Å; N487-N500 PolarHBondContact OD1-N 3.47Å; N487-N500 PolarHBondContact OD1-OD1 3.27Å; N487-Y619 HydrophobicContact CB-CD1 4.01Å; N487-Y619 HydrophobicContact CB-CD2 3.82Å; N487-Y619 HydrophobicContact CB-CE1 4.12Å; N487-Y619 HydrophobicContact CB-CE2 3.91Å; N487-Y619 HydrophobicContact CB-CG 3.86Å
488	G	81.4	Confident	82.2	Confident	17 Å²	17	46.5 Å²	46.5	18%	0.175	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	99	-3.8	-179.5	0	0	0	0	0	116.3	V486 Y497 C498	V486-G488 PolarHBondContact O-N 2.97Å; G488-Y497 WeakPolarHBondContact O-CD1 3.48Å; G488-C498 PolarHBondContact N-O 3.38Å
489	L	84.8	Confident	82.3	Confident	53 Å²	53	45.2 Å²	45.2	28%	0.277	24%	0.244	S	C	.	.			trans	-67.4	138.6	169.1	-73.8	169.9	0	0	0	111.1	A485 V486 Y497 C498	A485-L489 HydrophobicContact CB-CD1 3.83Å; V486-L489 HydrophobicContact CG1-CD1 3.77Å; V486-L489 HydrophobicContact CG1-CG 3.98Å; V486-L489 PolarHBondContact O-N 3.46Å; L489-Y497 CarbonylContact O-C 3.54Å; L489-Y497 WeakPolarHBondContact O-CA 3.42Å; L489-C498 HydrophobicContact CB-CB 4.47Å; L489-C498 PolarHBondContact O-N 3.01Å; L489-C498 PolarHBondContact O-SG 3.42Å; L489-C498 VanDerWaalsContact O-SG 3.35Å
490	P	89.9	Confident	81.9	Confident	83 Å²	83	46.9 Å²	46.9	54%	0.539	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142.2	177.8	-20.3	32.2	0	0	0	112.8	Y497	P490-Y497 HydrophobicContact CB-CD1 4.49Å; P490-Y497 HydrophobicContact CB-CE1 4.44Å; P490-Y497 HydrophobicContact CG-CD1 4.39Å; P490-Y497 HydrophobicContact CG-CE1 4.18Å
491	C	90.2	Very high	81.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162	-177.9	59.2	0	0	0	0	112.9	D465 C466 K493 G494 L495 G496 Y497 C503	D465-C491 HydrophobicContact CB-CB 3.81Å; C466-C491 WeakPolarHBondContact SG-CB 3.04Å; C466-C491 VanDerWaalsContact SG-SG 3.66Å; C491-K493 VanDerWaalsContact C-N 3.35Å; C491-K493 PolarHBondContact O-N 3.37Å; C491-G494 WeakPolarHBondContact O-CA 3.48Å; C491-G494 PolarHBondContact O-N 2.98Å; C491-L495 PolarHBondContact O-N 3.12Å; C491-L495 VanDerWaalsContact O-N 3.17Å; C491-G496 PolarHBondContact N-O 3.11Å; C491-G496 PolarHBondContact O-N 3.2Å; C491-G496 PolarHBondContact SG-O 3.23Å; C491-Y497 PolarHBondContact SG-N 2.91Å; C491-C503 HydrophobicContact CB-CB 3.75Å; C491-C503 WeakPolarHBondContact CB-SG 3.43Å; C491-C503 VanDerWaalsContact SG-CA 3.52Å; C491-C503 WeakPolarHBondContact SG-CB 3.48Å; C491-C503 CovalentContact SG-SG 2.03Å; C491-C503 PolarHBondContact SG-SG 2.87Å
492	D	88.8	Confident	81.7	Confident	59 Å²	59	41.1 Å²	41.1	32%	0.316	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	48.2	56.5	-174.7	-169.7	19.1	0	0	0	111.3	D465 G494 L495 Q505	D465-D492 PolarHBondContact OD2-N 2.9Å; D492-G494 PolarHBondContact O-N 2.89Å; D492-G494 VanDerWaalsContact O-N 3.07Å; D492-L495 HydrophobicContact CB-CB 4.43Å; D492-L495 WeakPolarHBondContact O-CB 3.32Å; D492-L495 WeakPolarHBondContact O-CG 3.27Å; D492-L495 PolarHBondContact O-N 3.33Å; D492-L495 VanDerWaalsContact O-N 3.09Å; D492-Q505 PolarHBondContact OD2-NE2 2.99Å
493	K	88.2	Confident	82.5	Confident	200 Å²	200	42 Å²	42	87%	0.87	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	58.4	20.6	-178.5	-53.5	156.8	-168.4	146.5	0	114.4	C491	C491-K493 VanDerWaalsContact C-N 3.35Å; C491-K493 PolarHBondContact O-N 3.37Å
494	G	86.4	Confident	83.2	Confident	38 Å²	38	42 Å²	42	39%	0.392	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	96.3	12.9	-179.5	0	0	0	0	0	114.7	C491 D492 G496	C491-G494 WeakPolarHBondContact O-CA 3.48Å; C491-G494 PolarHBondContact O-N 2.98Å; D492-G494 PolarHBondContact O-N 2.89Å; D492-G494 VanDerWaalsContact O-N 3.07Å; G494-G496 VanDerWaalsContact C-N 3.28Å
495	L	87.6	Confident	83.8	Confident	115 Å²	115	42.7 Å²	42.7	60%	0.602	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.2	172.6	-63.7	176	0	0	0	113.4	C491 D492	C491-L495 PolarHBondContact O-N 3.12Å; C491-L495 VanDerWaalsContact O-N 3.17Å; D492-L495 HydrophobicContact CB-CB 4.43Å; D492-L495 WeakPolarHBondContact O-CB 3.32Å; D492-L495 WeakPolarHBondContact O-CG 3.27Å; D492-L495 PolarHBondContact O-N 3.33Å; D492-L495 VanDerWaalsContact O-N 3.09Å
496	G	92.1	Very high	84.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	-177.5	173.8	0	0	0	0	0	113.3	C491 G494	C491-G496 PolarHBondContact N-O 3.11Å; C491-G496 PolarHBondContact O-N 3.2Å; C491-G496 PolarHBondContact SG-O 3.23Å; G494-G496 VanDerWaalsContact C-N 3.28Å
497	Y	89.8	Confident	85.1	Confident	29 Å²	29	44.5 Å²	44.5	11%	0.114	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.8	171.9	-63.2	-71	0	0	0	110.1	G488 L489 P490 C491 P504 M600 G604 V606 L615	G488-Y497 WeakPolarHBondContact O-CD1 3.48Å; L489-Y497 CarbonylContact O-C 3.54Å; L489-Y497 WeakPolarHBondContact O-CA 3.42Å; P490-Y497 HydrophobicContact CB-CD1 4.49Å; P490-Y497 HydrophobicContact CB-CE1 4.44Å; P490-Y497 HydrophobicContact CG-CD1 4.39Å; P490-Y497 HydrophobicContact CG-CE1 4.18Å; C491-Y497 PolarHBondContact SG-N 2.91Å; Y497-P504 WeakPolarHBondContact O-CD 3.33Å; Y497-M600 HydrophobicContact CD2-CB 4.04Å; Y497-M600 HydrophobicContact CD2-CG 4.01Å; Y497-M600 HydrophobicContact CD2-SD 4.36Å; Y497-M600 HydrophobicContact CE2-CB 4.33Å; Y497-M600 HydrophobicContact CE2-CE 4.02Å; Y497-M600 HydrophobicContact CE2-CG 3.77Å; Y497-M600 HydrophobicContact CE2-SD 3.91Å; Y497-G604 PolarHBondContact OH-N 2.86Å; Y497-V606 HydrophobicContact CD2-CG1 3.6Å; Y497-V606 HydrophobicContact CG-CG1 4.11Å; Y497-L615 HydrophobicContact CD1-CD1 3.98Å; Y497-L615 HydrophobicContact CD1-CD2 4.45Å; Y497-L615 HydrophobicContact CD2-CD2 4.33Å; Y497-L615 HydrophobicContact CE1-CD1 3.85Å; Y497-L615 HydrophobicContact CE2-CD1 4.42Å; Y497-L615 HydrophobicContact CG-CD1 4.35Å; Y497-L615 HydrophobicContact CG-CD2 4.11Å
498	C	84.4	Confident	85.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.			trans	-66.1	137	-178.6	-64.4	0	0	0	0	112.4	C466 N487 G488 L489 Q502	C466-C498 WeakPolarHBondContact CA-SG 3.32Å; C466-C498 HydrophobicContact CB-CB 3.71Å; C466-C498 WeakPolarHBondContact CB-SG 3.37Å; C466-C498 WeakPolarHBondContact SG-CA 3.49Å; C466-C498 WeakPolarHBondContact SG-CB 3.19Å; C466-C498 CovalentContact SG-SG 2.04Å; C466-C498 PolarHBondContact SG-SG 3.08Å; N487-C498 CarbonylContact C-O 3.38Å; N487-C498 VanDerWaalsContact CA-O 3.26Å; N487-C498 WeakPolarHBondContact CA-O 3.24Å; G488-C498 PolarHBondContact N-O 3.38Å; L489-C498 HydrophobicContact CB-CB 4.47Å; L489-C498 PolarHBondContact O-N 3.01Å; L489-C498 PolarHBondContact O-SG 3.42Å; L489-C498 VanDerWaalsContact O-SG 3.35Å; C498-Q502 WeakPolarHBondContact CA-O 3.44Å
499	Y	79.9	Confident	86	Confident	49 Å²	49	44.5 Å²	44.5	19%	0.192	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-141.2	118.5	170.7	-170.6	-125.4	0	0	0	109.4	N487 G501 Q502 E597 Y619	N487-Y499 HydrophobicContact CB-CD2 4.44Å; N487-Y499 WeakPolarHBondContact ND2-CD2 3.39Å; N487-Y499 WeakPolarHBondContact OD1-CA 3.46Å; Y499-G501 VanDerWaalsContact C-N 3.27Å; Y499-G501 PolarHBondContact O-N 2.93Å; Y499-Q502 PolarHBondContact N-O 3.47Å; Y499-Q502 PolarHBondContact O-N 2.92Å; Y499-E597 HydrophobicContact CD1-CB 4.16Å; Y499-E597 WeakPolarHBondContact CD1-O 3.28Å; Y499-E597 HydrophobicContact CE1-CB 3.44Å; Y499-E597 VanDerWaalsContact CE1-CB 3.44Å; Y499-E597 PolarHBondContact OH-OE2 3.08Å; Y499-Y619 AromaticContact CD2-CE1 3.53Å; Y499-Y619 HydrophobicContact CD2-CE1 3.53Å; Y499-Y619 AromaticContact CD2-CZ 3.84Å; Y499-Y619 HydrophobicContact CE2-CD1 4.45Å; Y499-Y619 AromaticContact CE2-CE1 3.68Å; Y499-Y619 HydrophobicContact CE2-CE1 3.68Å
500	N	69.7	Low	86.2	Confident	53 Å²	53	42 Å²	42	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	45.3	174.5	-56.5	-25.4	0	0	0	113.2	F484 N487	F484-N500 HydrophobicContact CE2-CB 4.5Å; N487-N500 PolarHBondContact ND2-OD1 2.93Å; N487-N500 PolarHBondContact OD1-N 3.47Å; N487-N500 PolarHBondContact OD1-OD1 3.27Å
501	G	68.9	Low	86.1	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.031	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	25.7	178.9	0	0	0	0	0	114.7	R184 F484 Y499	R184-G501 VanDerWaalsContact CZ-O 3.32Å; R184-G501 PolarHBondContact NH1-O 2.03Å; F484-G501 VanDerWaalsContact CB-CA 3.49Å; Y499-G501 VanDerWaalsContact C-N 3.27Å; Y499-G501 PolarHBondContact O-N 2.93Å
502	Q	76	Confident	85.5	Confident	62 Å²	62	45 Å²	45	29%	0.29	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-135.9	159	174.1	-40.6	-141.6	20.8	0	0	111	C466 C498 Y499 P504	C466-Q502 VanDerWaalsContact SG-C 3.57Å; C466-Q502 PolarHBondContact SG-O 3.43Å; C498-Q502 WeakPolarHBondContact CA-O 3.44Å; Y499-Q502 PolarHBondContact N-O 3.47Å; Y499-Q502 PolarHBondContact O-N 2.92Å; Q502-P504 VanDerWaalsContact C-CD 3.47Å; Q502-P504 WeakPolarHBondContact O-CD 3.25Å
503	C	84.9	Confident	84.9	Confident	34 Å²	34	42.2 Å²	42.2	23%	0.23	22%	0.22	C	C	.	.			trans	-103.8	84.3	167.5	-165.7	0	0	0	0	109.3	C491 Q505	C491-C503 HydrophobicContact CB-CB 3.75Å; C491-C503 WeakPolarHBondContact CB-SG 3.43Å; C491-C503 VanDerWaalsContact SG-CA 3.52Å; C491-C503 WeakPolarHBondContact SG-CB 3.48Å; C491-C503 CovalentContact SG-SG 2.03Å; C491-C503 PolarHBondContact SG-SG 2.87Å; C503-Q505 PolarHBondContact O-N 3.45Å
504	P	87.9	Confident	84.5	Confident	15 Å²	15	32.8 Å²	32.8	10%	0.097	18%	0.179	C	C	.	.			trans	-67.1	129.2	-178.7	29	-38	0	0	0	112.1	Y497 Q502	Y497-P504 WeakPolarHBondContact O-CD 3.33Å; Q502-P504 VanDerWaalsContact C-CD 3.47Å; Q502-P504 WeakPolarHBondContact O-CD 3.25Å
505	Q	90.4	Very high	84.2	Confident	43 Å²	43	31.9 Å²	31.9	20%	0.201	17%	0.17	C	C	.	.			trans	-142.1	137	-179.6	-63.4	-179.6	11.5	0	0	110.1	D492 C503 A507 A508 Q509	D492-Q505 PolarHBondContact OD2-NE2 2.99Å; C503-Q505 PolarHBondContact O-N 3.45Å; Q505-A507 VanDerWaalsContact C-N 3.31Å; Q505-A507 PolarHBondContact O-N 2.94Å; Q505-A508 HydrophobicContact CB-CB 4.15Å; Q505-A508 PolarHBondContact O-N 3.25Å; Q505-Q509 PolarHBondContact O-N 3.39Å
506	R	94.1	Very high	84	Confident	28 Å²	28	33.8 Å²	33.8	11%	0.106	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-39.9	178.5	-70.7	-178.6	-59.1	-73.4	-20	112.4	A508 Q509 C510 E520 L559 V595 T599 M600	R506-A508 PolarHBondContact O-N 2.93Å; R506-Q509 PolarHBondContact O-N 2.95Å; R506-C510 WeakPolarHBondContact O-CB 3.19Å; R506-C510 PolarHBondContact O-N 3.44Å; R506-C510 PolarHBondContact O-SG 2.99Å; R506-C510 VanDerWaalsContact O-SG 3.35Å; R506-E520 HydrophobicContact CB-CG 4.05Å; R506-E520 WeakPolarHBondContact CB-OE2 3.39Å; R506-E520 IonicContact CZ-OE1 2.81Å; R506-E520 VanDerWaalsContact CZ-OE1 3.25Å; R506-E520 IonicContact NE-OE1 2.74Å; R506-E520 PolarHBondContact NE-OE1 3.37Å; R506-E520 IonicContact NE-OE2 3.67Å; R506-E520 IonicContact NH2-OE1 3.67Å; R506-E520 PolarHBondContact NH2-OE1 3.02Å; R506-E520 IonicContact NH2-OE2 3.67Å; R506-L559 HydrophobicContact CB-CD1 3.71Å; R506-L559 HydrophobicContact CG-CD1 3.79Å; R506-V595 HydrophobicContact CG-CB 4.47Å; R506-V595 HydrophobicContact CG-CG1 3.7Å; R506-V595 HydrophobicContact CG-CG2 3.96Å; R506-T599 HydrophobicContact CG-CG2 3.89Å; R506-M600 PolarHBondContact NH1-O 2.9Å
507	A	92.4	Very high	83.9	Confident	16 Å²	16	37.8 Å²	37.8	13%	0.132	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-40	173.8	0	0	0	0	0	113.5	Q505 K511 D519 E520	Q505-A507 VanDerWaalsContact C-N 3.31Å; Q505-A507 PolarHBondContact O-N 2.94Å; A507-K511 WeakPolarHBondContact O-CD 3.32Å; A507-K511 WeakPolarHBondContact O-CG 3.43Å; A507-K511 PolarHBondContact O-N 2.85Å; A507-D519 WeakPolarHBondContact CB-OD1 3.47Å; A507-E520 HydrophobicContact CB-CB 4.16Å
508	A	88	Confident	84	Confident	50 Å²	50	36.6 Å²	36.6	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-71.8	-39	175.6	0	0	0	0	0	111.7	Q505 R506 C510 K511 K512	Q505-A508 HydrophobicContact CB-CB 4.15Å; Q505-A508 PolarHBondContact O-N 3.25Å; R506-A508 PolarHBondContact O-N 2.93Å; A508-C510 VanDerWaalsContact C-N 3.34Å; A508-C510 PolarHBondContact O-N 2.97Å; A508-K511 PolarHBondContact O-N 3.07Å; A508-K512 PolarHBondContact O-N 3.47Å
509	Q	90.5	Very high	84.5	Confident	4 Å²	4	40 Å²	40	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-41.1	174.2	-155.2	-173.3	9.1	0	0	111.3	Q505 R506 K511 K512 V513 L559 Q594 D596	Q505-Q509 PolarHBondContact O-N 3.39Å; R506-Q509 PolarHBondContact O-N 2.95Å; Q509-K511 VanDerWaalsContact C-N 3.35Å; Q509-K511 PolarHBondContact O-N 2.81Å; Q509-K512 WeakPolarHBondContact O-CB 3.25Å; Q509-K512 PolarHBondContact O-N 2.81Å; Q509-V513 VanDerWaalsContact O-CG2 3.32Å; Q509-V513 WeakPolarHBondContact O-CG2 3.19Å; Q509-V513 PolarHBondContact O-N 3.16Å; Q509-L559 HydrophobicContact CB-CD1 4.48Å; Q509-L559 HydrophobicContact CB-CD2 3.98Å; Q509-L559 HydrophobicContact CG-CD2 3.8Å; Q509-Q594 PolarHBondContact NE2-O 3.44Å; Q509-D596 VanDerWaalsContact CD-CG 3.42Å; Q509-D596 WeakPolarHBondContact CG-OD2 3.3Å; Q509-D596 PolarHBondContact NE2-OD1 3.17Å
510	C	90.1	Very high	85.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-38.8	173.1	-73.1	0	0	0	0	113.1	R506 A508 V513 Y514 A518 C561	R506-C510 WeakPolarHBondContact O-CB 3.19Å; R506-C510 PolarHBondContact O-N 3.44Å; R506-C510 PolarHBondContact O-SG 2.99Å; R506-C510 VanDerWaalsContact O-SG 3.35Å; A508-C510 VanDerWaalsContact C-N 3.34Å; A508-C510 PolarHBondContact O-N 2.97Å; C510-V513 PolarHBondContact O-N 3.2Å; C510-Y514 PolarHBondContact O-N 3.06Å; C510-A518 HydrophobicContact CB-CB 4.45Å; C510-A518 WeakPolarHBondContact O-CB 3.35Å; C510-C561 WeakPolarHBondContact CA-SG 3.36Å; C510-C561 HydrophobicContact CB-CB 3.71Å; C510-C561 WeakPolarHBondContact CB-SG 3.37Å; C510-C561 WeakPolarHBondContact SG-CA 3.43Å; C510-C561 WeakPolarHBondContact SG-CB 3.13Å; C510-C561 CovalentContact SG-SG 2.04Å; C510-C561 PolarHBondContact SG-SG 3.41Å
511	K	87.3	Confident	86.5	Confident	77 Å²	77	37.6 Å²	37.6	34%	0.335	22%	0.217	S	C	.	.	H	α-helix	trans	-69.6	-33.7	176.2	-70.9	158.6	-168.3	154.9	0	112.5	A507 A508 Q509 G515 A518 D519	A507-K511 WeakPolarHBondContact O-CD 3.32Å; A507-K511 WeakPolarHBondContact O-CG 3.43Å; A507-K511 PolarHBondContact O-N 2.85Å; A508-K511 PolarHBondContact O-N 3.07Å; Q509-K511 VanDerWaalsContact C-N 3.35Å; Q509-K511 PolarHBondContact O-N 2.81Å; K511-G515 WeakPolarHBondContact CA-O 3.48Å; K511-G515 CarbonylContact O-C 3.37Å; K511-G515 VanDerWaalsContact O-C 3.24Å; K511-G515 WeakPolarHBondContact O-CA 3.49Å; K511-G515 PolarHBondContact O-N 2.76Å; K511-A518 WeakPolarHBondContact CE-O 3.35Å; K511-A518 WeakPolarHBondContact CG-O 3.33Å; K511-D519 VanDerWaalsContact CE-OD1 3.28Å; K511-D519 WeakPolarHBondContact CE-OD1 3.34Å; K511-D519 IonicContact NZ-OD1 3.48Å; K511-D519 PolarHBondContact NZ-OD1 2.82Å
512	K	77.5	Confident	87.8	Confident	71 Å²	71	40 Å²	40	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-39.9	170.2	175.2	-170.7	176.4	-169.8	0	111.8	A508 Q509 I569 D596	A508-K512 PolarHBondContact O-N 3.47Å; Q509-K512 WeakPolarHBondContact O-CB 3.25Å; Q509-K512 PolarHBondContact O-N 2.81Å; K512-I569 VanDerWaalsContact O-CD1 3.26Å; K512-I569 WeakPolarHBondContact O-CD1 3.36Å; K512-D596 IonicContact NZ-OD2 2.78Å
513	V	77.1	Confident	88.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-83	-48.3	-176.1	173.8	0	0	0	0	113.8	Q509 C510 P568 I569 Y570 M583	Q509-V513 VanDerWaalsContact O-CG2 3.32Å; Q509-V513 WeakPolarHBondContact O-CG2 3.19Å; Q509-V513 PolarHBondContact O-N 3.16Å; C510-V513 PolarHBondContact O-N 3.2Å; V513-P568 HydrophobicContact CG1-CB 3.47Å; V513-P568 VanDerWaalsContact CG1-CB 3.47Å; V513-P568 CarbonylContact O-C 3.6Å; V513-P568 WeakPolarHBondContact O-CA 3.22Å; V513-I569 PolarHBondContact O-N 2.93Å; V513-Y570 HydrophobicContact CG2-CE2 4.3Å; V513-Y570 WeakPolarHBondContact CG2-OH 3.35Å; V513-M583 HydrophobicContact CB-CE 4.4Å; V513-M583 HydrophobicContact CB-SD 4.41Å; V513-M583 HydrophobicContact CG1-CE 3.83Å; V513-M583 HydrophobicContact CG1-CG 4.2Å; V513-M583 HydrophobicContact CG1-SD 3.44Å; V513-M583 WeakPolarHBondContact CG1-SD 3.48Å; V513-M583 HydrophobicContact CG2-CE 3.78Å; V513-M583 HydrophobicContact CG2-SD 4Å
514	Y	80.4	Confident	88.9	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-112.1	10.9	-172.1	-64.5	-81.6	0	0	0	113.1	C510 C561 G564 N565 P568 M573 K581 A582	C510-Y514 PolarHBondContact O-N 3.06Å; Y514-C561 HydrophobicContact CD2-CB 3.67Å; Y514-C561 HydrophobicContact CE2-CB 3.69Å; Y514-G564 WeakPolarHBondContact O-CA 3.4Å; Y514-N565 WeakPolarHBondContact O-CB 3.38Å; Y514-N565 PolarHBondContact O-N 2.85Å; Y514-P568 HydrophobicContact CD1-CB 4.21Å; Y514-P568 HydrophobicContact CE1-CB 3.78Å; Y514-P568 HydrophobicContact CE1-CG 4.32Å; Y514-M573 HydrophobicContact CE1-CG 4.31Å; Y514-K581 HydrophobicContact CD1-CD 4.17Å; Y514-K581 HydrophobicContact CE1-CB 4.4Å; Y514-K581 HydrophobicContact CE1-CD 3.98Å; Y514-K581 HydrophobicContact CE2-CB 4.27Å; Y514-A582 PolarHBondContact OH-O 3.24Å
515	G	79.9	Confident	89.3	Confident	20 Å²	20	42.5 Å²	42.5	21%	0.206	26%	0.257	C	S	.	.			trans	82.1	169.5	179.9	0	0	0	0	0	114.4	K511 A517 A518	K511-G515 WeakPolarHBondContact CA-O 3.48Å; K511-G515 CarbonylContact O-C 3.37Å; K511-G515 VanDerWaalsContact O-C 3.24Å; K511-G515 WeakPolarHBondContact O-CA 3.49Å; K511-G515 PolarHBondContact O-N 2.76Å; G515-A517 PolarHBondContact O-N 2.94Å; G515-A518 VanDerWaalsContact O-CB 3.25Å; G515-A518 WeakPolarHBondContact O-CB 3.34Å; G515-A518 PolarHBondContact O-N 3.34Å
516	N	83.1	Confident	89.5	Confident	155 Å²	155	40.5 Å²	40.5	83%	0.829	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.4	-168.9	-66.5	-11.8	0	0	0	116.3
517	A	88.9	Confident	89.5	Confident	84 Å²	84	43.5 Å²	43.5	69%	0.694	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	5.6	177.4	0	0	0	0	0	113.8	G515 G564	G515-A517 PolarHBondContact O-N 2.94Å; A517-G564 PolarHBondContact O-N 2.98Å
518	A	92.6	Very high	89.6	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.025	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	162.1	173	0	0	0	0	0	111.9	C510 K511 G515 Q562	C510-A518 HydrophobicContact CB-CB 4.45Å; C510-A518 WeakPolarHBondContact O-CB 3.35Å; K511-A518 WeakPolarHBondContact CE-O 3.35Å; K511-A518 WeakPolarHBondContact CG-O 3.33Å; G515-A518 VanDerWaalsContact O-CB 3.25Å; G515-A518 WeakPolarHBondContact O-CB 3.34Å; G515-A518 PolarHBondContact O-N 3.34Å; A518-Q562 CarbonylContact C-O 3.6Å; A518-Q562 VanDerWaalsContact CA-O 3.31Å; A518-Q562 WeakPolarHBondContact CA-O 3.31Å
519	D	95.6	Very high	90	Very high	71 Å²	71	42.8 Å²	42.8	38%	0.38	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	174.1	172	-144.1	14.2	0	0	0	111.7	A507 K511 C561 Q562	A507-D519 WeakPolarHBondContact CB-OD1 3.47Å; K511-D519 VanDerWaalsContact CE-OD1 3.28Å; K511-D519 WeakPolarHBondContact CE-OD1 3.34Å; K511-D519 IonicContact NZ-OD1 3.48Å; K511-D519 PolarHBondContact NZ-OD1 2.82Å; D519-C561 CarbonylContact O-C 3.54Å; D519-C561 WeakPolarHBondContact O-CA 3.48Å; D519-Q562 PolarHBondContact N-O 2.9Å; D519-Q562 PolarHBondContact O-N 2.83Å
520	E	95.8	Very high	90.2	Very high	49 Å²	49	45.4 Å²	45.4	23%	0.229	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.6	174.1	-174.3	172.1	168	0	0	111.1	R506 A507 Y526 Q562	R506-E520 HydrophobicContact CB-CG 4.05Å; R506-E520 WeakPolarHBondContact CB-OE2 3.39Å; R506-E520 IonicContact CZ-OE1 2.81Å; R506-E520 VanDerWaalsContact CZ-OE1 3.25Å; R506-E520 IonicContact NE-OE1 2.74Å; R506-E520 PolarHBondContact NE-OE1 3.37Å; R506-E520 IonicContact NE-OE2 3.67Å; R506-E520 IonicContact NH2-OE1 3.67Å; R506-E520 PolarHBondContact NH2-OE1 3.02Å; R506-E520 IonicContact NH2-OE2 3.67Å; A507-E520 HydrophobicContact CB-CB 4.16Å; E520-Y526 HydrophobicContact CG-CE2 4.32Å; E520-Q562 WeakPolarHBondContact O-CG 3.42Å; E520-Q562 PolarHBondContact O-NE2 3.5Å
521	A	95.9	Very high	90.3	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.033	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-74	156.7	176.6	0	0	0	0	0	112.2	C525 F560	A521-C525 HydrophobicContact CB-CB 4.08Å; A521-F560 VanDerWaalsContact CB-C 3.44Å; A521-F560 HydrophobicContact CB-CB 3.77Å; A521-F560 VanDerWaalsContact CB-O 3.28Å; A521-F560 WeakPolarHBondContact CB-O 3.45Å; A521-F560 PolarHBondContact N-O 3.42Å
522	P	95	Very high	90.4	Very high	52 Å²	52	48.7 Å²	48.7	34%	0.338	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-53.6	144.9	175.3	-26.3	35.5	0	0	0	112.7	S524 C525 V579	P522-S524 PolarHBondContact O-N 3Å; P522-C525 WeakPolarHBondContact O-CB 3.39Å; P522-C525 PolarHBondContact O-N 3.19Å; P522-V579 HydrophobicContact CG-CG2 4.48Å
523	S	90.9	Very high	91	Very high	90 Å²	90	46.5 Å²	46.5	63%	0.629	28%	0.28	S	S	*	.	H	α-helix	trans	-56.7	-19.8	-176.7	-42	0	0	0	0	114.1	C525 Y526	S523-C525 VanDerWaalsContact C-N 3.29Å; S523-C525 PolarHBondContact O-N 3Å; S523-Y526 PolarHBondContact O-N 3.43Å
524	S	93.3	Very high	91.4	Very high	74 Å²	74	49.4 Å²	49.4	52%	0.517	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-28.7	172	53.8	0	0	0	0	113.9	P522 N527	P522-S524 PolarHBondContact O-N 3Å; S524-N527 WeakPolarHBondContact O-CB 3.43Å
525	C	95.5	Very high	91.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-43.1	174.4	-59.4	0	0	0	0	111.1	A521 P522 S523 N527 Y528 F560 C580	A521-C525 HydrophobicContact CB-CB 4.08Å; P522-C525 WeakPolarHBondContact O-CB 3.39Å; P522-C525 PolarHBondContact O-N 3.19Å; S523-C525 VanDerWaalsContact C-N 3.29Å; S523-C525 PolarHBondContact O-N 3Å; C525-N527 PolarHBondContact O-N 3.17Å; C525-N527 VanDerWaalsContact O-N 3.12Å; C525-Y528 WeakPolarHBondContact O-CB 3.19Å; C525-Y528 WeakPolarHBondContact O-CD2 3.26Å; C525-Y528 PolarHBondContact O-N 2.85Å; C525-F560 HydrophobicContact CB-CB 3.75Å; C525-F560 HydrophobicContact CB-CD1 4.29Å; C525-F560 HydrophobicContact CB-CD2 4.32Å; C525-F560 HydrophobicContact CB-CG 3.85Å; C525-C580 HydrophobicContact CB-CB 3.78Å; C525-C580 WeakPolarHBondContact CB-SG 3.36Å; C525-C580 WeakPolarHBondContact SG-CB 3.21Å; C525-C580 CovalentContact SG-SG 2.04Å; C525-C580 PolarHBondContact SG-SG 3.19Å
526	Y	95.5	Very high	92.3	Very high	1 Å²	1	51 Å²	51	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-22.5	-179	-70.9	-90.5	0	0	0	113.8	E520 S523 Y528 N529 V554 L555 F560 V595	E520-Y526 HydrophobicContact CG-CE2 4.32Å; S523-Y526 PolarHBondContact O-N 3.43Å; Y526-Y528 PolarHBondContact O-N 2.99Å; Y526-Y528 VanDerWaalsContact O-N 3.1Å; Y526-N529 VanDerWaalsContact O-CB 3.29Å; Y526-N529 WeakPolarHBondContact O-CB 3.22Å; Y526-N529 PolarHBondContact O-N 3.49Å; Y526-V554 WeakPolarHBondContact CD1-O 3.34Å; Y526-L555 HydrophobicContact CD1-CD2 3.93Å; Y526-L555 HydrophobicContact CD2-CD2 4.1Å; Y526-L555 HydrophobicContact CG-CD2 3.69Å; Y526-F560 AromaticContact CD1-CD2 3.67Å; Y526-F560 HydrophobicContact CD1-CD2 3.67Å; Y526-F560 HydrophobicContact CD1-CE2 4.3Å; Y526-F560 HydrophobicContact CD2-CB 4.39Å; Y526-F560 HydrophobicContact CD2-CD2 4.21Å; Y526-F560 HydrophobicContact CE1-CB 4.42Å; Y526-F560 AromaticContact CE1-CD2 3.84Å; Y526-F560 HydrophobicContact CE1-CD2 3.84Å; Y526-F560 HydrophobicContact CE2-CB 3.93Å; Y526-F560 HydrophobicContact CE2-CD2 4.37Å; Y526-F560 AromaticContact CG-CD2 3.84Å; Y526-F560 HydrophobicContact CG-CD2 3.84Å; Y526-F560 PolarHBondContact OH-N 3.09Å; Y526-F560 PolarHBondContact OH-O 3.35Å; Y526-V595 HydrophobicContact CE1-CG2 4.26Å
527	N	94.4	Very high	92.8	Very high	91 Å²	91	43.6 Å²	43.6	49%	0.487	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.2	-23	170.5	-69.7	-46.3	0	0	0	113.2	S524 C525 N529 T530	S524-N527 WeakPolarHBondContact O-CB 3.43Å; C525-N527 PolarHBondContact O-N 3.17Å; C525-N527 VanDerWaalsContact O-N 3.12Å; N527-N529 PolarHBondContact O-N 3.3Å; N527-T530 PolarHBondContact O-N 2.83Å; N527-T530 VanDerWaalsContact O-N 3.16Å; N527-T530 PolarHBondContact O-OG1 3.1Å
528	Y	94.3	Very high	93	Very high	51 Å²	51	40 Å²	40	20%	0.2	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-65.4	-20.8	174.3	-79.1	-120.6	0	0	0	112.8	C525 Y526 T530 K531 Y535 F576 S577	C525-Y528 WeakPolarHBondContact O-CB 3.19Å; C525-Y528 WeakPolarHBondContact O-CD2 3.26Å; C525-Y528 PolarHBondContact O-N 2.85Å; Y526-Y528 PolarHBondContact O-N 2.99Å; Y526-Y528 VanDerWaalsContact O-N 3.1Å; Y528-T530 PolarHBondContact O-N 3.41Å; Y528-K531 HydrophobicContact CD1-CD 3.9Å; Y528-K531 VanDerWaalsContact CD1-NZ 3.28Å; Y528-K531 HydrophobicContact CE1-CD 4.48Å; Y528-K531 HydrophobicContact CG-CD 4.18Å; Y528-K531 VanDerWaalsContact CZ-NZ 3.29Å; Y528-K531 VanDerWaalsContact O-CB 3.31Å; Y528-K531 WeakPolarHBondContact O-CB 3.35Å; Y528-K531 PolarHBondContact O-N 2.78Å; Y528-Y535 AromaticContact CD1-CE2 4Å; Y528-Y535 HydrophobicContact CD1-CE2 4Å; Y528-F576 HydrophobicContact CD1-CD2 4.03Å; Y528-F576 AromaticContact CD1-CE2 3.54Å; Y528-F576 HydrophobicContact CD1-CE2 3.54Å; Y528-F576 AromaticContact CD1-CZ 3.9Å; Y528-F576 HydrophobicContact CD1-CZ 3.9Å; Y528-F576 AromaticContact CD2-CE2 3.64Å; Y528-F576 HydrophobicContact CD2-CE2 3.64Å; Y528-F576 HydrophobicContact CD2-CZ 4.28Å; Y528-F576 AromaticContact CE1-CD2 3.5Å; Y528-F576 HydrophobicContact CE1-CD2 3.5Å; Y528-F576 VanDerWaalsContact CE1-CD2 3.5Å; Y528-F576 AromaticContact CE1-CE2 3.45Å; Y528-F576 HydrophobicContact CE1-CE2 3.45Å; Y528-F576 VanDerWaalsContact CE1-CE2 3.45Å; Y528-F576 HydrophobicContact CE1-CG 4.32Å; Y528-F576 HydrophobicContact CE1-CZ 4.23Å; Y528-F576 HydrophobicContact CE2-CD2 4.1Å; Y528-F576 AromaticContact CE2-CE2 3.61Å; Y528-F576 HydrophobicContact CE2-CE2 3.61Å; Y528-F576 HydrophobicContact CG-CD2 4.5Å; Y528-F576 AromaticContact CG-CE2 3.62Å; Y528-F576 HydrophobicContact CG-CE2 3.62Å; Y528-F576 AromaticContact CG-CZ 3.91Å; Y528-F576 HydrophobicContact CG-CZ 3.91Å; Y528-F576 AromaticContact CZ-CD2 3.53Å; Y528-F576 AromaticContact CZ-CE2 3.48Å; Y528-F576 VanDerWaalsContact CZ-CE2 3.48Å; Y528-S577 PolarHBondContact OH-OG 2.72Å; Y528-S577 VanDerWaalsContact OH-OG 3.11Å
529	N	96.1	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-63.6	-18.4	173	-77.2	-25.8	0	0	0	113.7	Y526 N527 K531 G536 Y537 C549 V554 K558	Y526-N529 VanDerWaalsContact O-CB 3.29Å; Y526-N529 WeakPolarHBondContact O-CB 3.22Å; Y526-N529 PolarHBondContact O-N 3.49Å; N527-N529 PolarHBondContact O-N 3.3Å; N529-K531 PolarHBondContact O-N 2.74Å; N529-G536 WeakPolarHBondContact OD1-CA 3.25Å; N529-Y537 PolarHBondContact OD1-N 3.47Å; N529-Y537 PolarHBondContact OD1-O 3.26Å; N529-C549 HydrophobicContact CB-CB 4.15Å; N529-C549 PolarHBondContact O-N 3.15Å; N529-V554 PolarHBondContact ND2-O 3.29Å; N529-K558 PolarHBondContact ND2-N 3Å; N529-K558 VanDerWaalsContact ND2-N 3.19Å; N529-K558 PolarHBondContact ND2-O 3.2Å; N529-K558 VanDerWaalsContact OD1-CB 3.29Å; N529-K558 WeakPolarHBondContact OD1-CB 3.4Å; N529-K558 PolarHBondContact OD1-N 3.16Å; N529-K558 VanDerWaalsContact OD1-N 3.14Å
530	T	95.9	Very high	92.3	Very high	60 Å²	60	41.3 Å²	41.3	37%	0.368	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-77	-3.1	172.4	66.3	0	0	0	0	114.3	N527 Y528 P548 V554	N527-T530 PolarHBondContact O-N 2.83Å; N527-T530 VanDerWaalsContact O-N 3.16Å; N527-T530 PolarHBondContact O-OG1 3.1Å; Y528-T530 PolarHBondContact O-N 3.41Å; T530-P548 VanDerWaalsContact O-CB 3.3Å; T530-P548 WeakPolarHBondContact O-CB 3.47Å; T530-V554 HydrophobicContact CG2-CG1 3.48Å; T530-V554 VanDerWaalsContact CG2-CG1 3.48Å
531	K	91.9	Very high	91.8	Very high	122 Å²	122	45.5 Å²	45.5	53%	0.53	24%	0.243	S	C	.	.	S	Bend	trans	-92.6	-26.8	-172.8	-64.4	-179	177.7	176.5	0	114.8	Y528 N529	Y528-K531 HydrophobicContact CD1-CD 3.9Å; Y528-K531 VanDerWaalsContact CD1-NZ 3.28Å; Y528-K531 HydrophobicContact CE1-CD 4.48Å; Y528-K531 HydrophobicContact CG-CD 4.18Å; Y528-K531 VanDerWaalsContact CZ-NZ 3.29Å; Y528-K531 VanDerWaalsContact O-CB 3.31Å; Y528-K531 WeakPolarHBondContact O-CB 3.35Å; Y528-K531 PolarHBondContact O-N 2.78Å; N529-K531 PolarHBondContact O-N 2.74Å
532	G	89.6	Confident	91.3	Very high	23 Å²	23	46.6 Å²	46.6	24%	0.237	25%	0.251	C	S	.	.			trans	67.2	45.6	-173	0	0	0	0	0	112.2	G536 F546	G532-G536 CarbonylContact C-O 3.16Å; G532-G536 VanDerWaalsContact CA-O 3.3Å; G532-G536 WeakPolarHBondContact CA-O 3.43Å; G532-G536 PolarHBondContact N-O 2.91Å; G532-F546 WeakPolarHBondContact CA-O 3.44Å; G532-F546 WeakPolarHBondContact O-CB 3.37Å
533	S	89.5	Confident	90.6	Very high	25 Å²	25	48.1 Å²	48.1	18%	0.175	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-97.1	170.9	173.4	74.5	0	0	0	0	111.2	Y535 G536 Y537	S533-Y535 PolarHBondContact O-N 2.96Å; S533-Y535 PolarHBondContact OG-N 2.92Å; S533-G536 PolarHBondContact N-O 3.11Å; S533-G536 PolarHBondContact O-N 3.11Å; S533-G536 VanDerWaalsContact O-N 3.15Å; S533-G536 PolarHBondContact OG-N 3.46Å; S533-G536 VanDerWaalsContact OG-N 3.13Å; S533-Y537 WeakPolarHBondContact O-CD1 3.44Å
534	N	84.4	Confident	90.2	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.3	175.7	65.4	-46.8	0	0	0	115.3	Y537 F546 F584	N534-Y537 WeakPolarHBondContact O-CE1 3.41Å; N534-F546 HydrophobicContact CB-CE1 4.11Å; N534-F546 HydrophobicContact CB-CE2 4.07Å; N534-F546 HydrophobicContact CB-CZ 3.71Å; N534-F584 WeakPolarHBondContact O-CB 3.5Å
535	Y	86.6	Confident	90	Very high	53 Å²	53	50.4 Å²	50.4	21%	0.208	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	11.3	176.3	58.6	-93.7	0	0	0	113.7	Y528 S533 F560 V574 F576	Y528-Y535 AromaticContact CD1-CE2 4Å; Y528-Y535 HydrophobicContact CD1-CE2 4Å; S533-Y535 PolarHBondContact O-N 2.96Å; S533-Y535 PolarHBondContact OG-N 2.92Å; Y535-F560 WeakPolarHBondContact O-CZ 3.44Å; Y535-V574 HydrophobicContact CD1-CG1 4.1Å; Y535-V574 HydrophobicContact CD2-CG1 4.09Å; Y535-V574 HydrophobicContact CG-CG1 3.72Å; Y535-F576 HydrophobicContact CD2-CD1 4.32Å; Y535-F576 AromaticContact CD2-CE1 3.88Å; Y535-F576 HydrophobicContact CD2-CE1 3.88Å; Y535-F576 AromaticContact CE2-CD1 3.97Å; Y535-F576 HydrophobicContact CE2-CD1 3.97Å; Y535-F576 AromaticContact CE2-CE1 3.82Å; Y535-F576 HydrophobicContact CE2-CE1 3.82Å; Y535-F576 HydrophobicContact CE2-CZ 4.33Å
536	G	92.4	Very high	89.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-152.5	93.9	-179.2	0	0	0	0	0	113	N529 G532 S533	N529-G536 WeakPolarHBondContact OD1-CA 3.25Å; G532-G536 CarbonylContact C-O 3.16Å; G532-G536 VanDerWaalsContact CA-O 3.3Å; G532-G536 WeakPolarHBondContact CA-O 3.43Å; G532-G536 PolarHBondContact N-O 2.91Å; S533-G536 PolarHBondContact N-O 3.11Å; S533-G536 PolarHBondContact O-N 3.11Å; S533-G536 VanDerWaalsContact O-N 3.15Å; S533-G536 PolarHBondContact OG-N 3.46Å; S533-G536 VanDerWaalsContact OG-N 3.13Å
537	Y	94.1	Very high	89.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.			trans	-157.6	168.7	-175.4	50.3	-80.3	0	0	0	111.2	N529 S533 N534 R540 F546 I547 G557 K558 D591	N529-Y537 PolarHBondContact OD1-N 3.47Å; N529-Y537 PolarHBondContact OD1-O 3.26Å; S533-Y537 WeakPolarHBondContact O-CD1 3.44Å; N534-Y537 WeakPolarHBondContact O-CE1 3.41Å; Y537-R540 HydrophobicContact CD2-CB 3.99Å; Y537-R540 HydrophobicContact CE2-CB 3.59Å; Y537-R540 HydrophobicContact CE2-CG 4.31Å; Y537-R540 WeakPolarHBondContact OH-CD 3.41Å; Y537-F546 AromaticContact CD1-CD1 3.69Å; Y537-F546 HydrophobicContact CD1-CD1 3.69Å; Y537-F546 HydrophobicContact CD1-CE1 4.43Å; Y537-F546 HydrophobicContact CD2-CD1 4.46Å; Y537-F546 AromaticContact CE1-CD1 3.53Å; Y537-F546 HydrophobicContact CE1-CD1 3.53Å; Y537-F546 AromaticContact CE1-CE1 3.82Å; Y537-F546 HydrophobicContact CE1-CE1 3.82Å; Y537-F546 HydrophobicContact CE2-CD1 4.35Å; Y537-F546 HydrophobicContact CG-CD1 4.11Å; Y537-F546 AromaticContact CZ-CD1 3.84Å; Y537-F546 AromaticContact CZ-CE1 3.97Å; Y537-I547 WeakPolarHBondContact CB-O 3.41Å; Y537-G557 CarbonylContact O-C 3.57Å; Y537-G557 WeakPolarHBondContact O-CA 3.48Å; Y537-K558 HydrophobicContact CD1-CD 3.98Å; Y537-K558 HydrophobicContact CD1-CG 3.78Å; Y537-K558 HydrophobicContact CD2-CD 4.32Å; Y537-K558 HydrophobicContact CE1-CD 3.65Å; Y537-K558 HydrophobicContact CE1-CG 3.94Å; Y537-K558 HydrophobicContact CE2-CD 3.98Å; Y537-K558 HydrophobicContact CG-CD 4.36Å; Y537-K558 HydrophobicContact CG-CG 4.18Å; Y537-K558 PolarHBondContact O-N 2.87Å; Y537-K558 VanDerWaalsContact O-N 3.12Å; Y537-K558 PolarHBondContact OH-NZ 3.19Å; Y537-D591 WeakPolarHBondContact CE2-OD2 3.27Å; Y537-D591 VanDerWaalsContact CZ-OD2 3.29Å; Y537-D591 PolarHBondContact OH-OD2 3.36Å
538	C	92.6	Very high	89.9	Confident	8 Å²	8	54.3 Å²	54.3	5%	0.054	28%	0.275	C	S	.	.	S	Bend	trans	-99.1	-45.6	166.6	-97.9	0	0	0	0	112.5	I547 C549 N610	C538-I547 PolarHBondContact N-O 3.48Å; C538-C549 WeakPolarHBondContact CA-SG 3.36Å; C538-C549 HydrophobicContact CB-CB 3.95Å; C538-C549 WeakPolarHBondContact CB-SG 3.41Å; C538-C549 PolarHBondContact N-SG 2.95Å; C538-C549 VanDerWaalsContact N-SG 3.43Å; C538-C549 WeakPolarHBondContact SG-CA 3.1Å; C538-C549 WeakPolarHBondContact SG-CB 3.46Å; C538-C549 CovalentContact SG-SG 2.01Å; C538-C549 PolarHBondContact SG-SG 3.18Å; C538-N610 HydrophobicContact CB-CB 4.26Å; C538-N610 WeakPolarHBondContact O-CB 3.29Å; C538-N610 PolarHBondContact O-ND2 2.92Å; C538-N610 PolarHBondContact O-OD1 3.09Å; C538-N610 PolarHBondContact SG-O 2.75Å
539	R	89.9	Confident	89.9	Confident	75 Å²	75	52.2 Å²	52.2	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.4	-176.3	-67.9	-178.8	176.8	153.8	-0.5	111.1	F541 I547 Q609 N610	R539-F541 HydrophobicContact CB-CE2 4.39Å; R539-F541 HydrophobicContact CB-CZ 4.33Å; R539-I547 HydrophobicContact CB-CB 4.13Å; R539-I547 HydrophobicContact CB-CG1 4.33Å; R539-I547 PolarHBondContact N-O 2.96Å; R539-I547 WeakPolarHBondContact O-CB 3.36Å; R539-I547 PolarHBondContact O-N 3.34Å; R539-Q609 PolarHBondContact NE-O 3.07Å; R539-Q609 PolarHBondContact NH2-O 3.15Å; R539-N610 HydrophobicContact CG-CB 4.26Å
540	R	85.5	Confident	89.9	Confident	27 Å²	27	58 Å²	58	10%	0.102	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.1	178.5	-172.6	-178	-176	-169.1	4.8	109.7	Y537 S542 N543 D545 F546 F585 T586 D587	Y537-R540 HydrophobicContact CD2-CB 3.99Å; Y537-R540 HydrophobicContact CE2-CB 3.59Å; Y537-R540 HydrophobicContact CE2-CG 4.31Å; Y537-R540 WeakPolarHBondContact OH-CD 3.41Å; R540-S542 WeakPolarHBondContact CG-O 3.47Å; R540-S542 PolarHBondContact NE-O 3.24Å; R540-N543 PolarHBondContact NH2-O 3.17Å; R540-D545 WeakPolarHBondContact CA-O 3.49Å; R540-F546 HydrophobicContact CG-CD1 4.23Å; R540-F546 HydrophobicContact CG-CE1 4.26Å; R540-F585 PolarHBondContact NH1-O 3.08Å; R540-F585 PolarHBondContact NH2-O 3.21Å; R540-T586 PolarHBondContact NH2-O 2.86Å; R540-D587 PolarHBondContact NH1-O 3.21Å
541	F	83.5	Confident	89.8	Confident	137 Å²	137	63.9 Å²	63.9	60%	0.601	32%	0.315	S	S	*	.	S	Bend	trans	-111.5	-8.6	-177	-61.5	-64	0	0	0	113.6	R539 I547 Y588	R539-F541 HydrophobicContact CB-CE2 4.39Å; R539-F541 HydrophobicContact CB-CZ 4.33Å; F541-I547 HydrophobicContact CD2-CG1 4.06Å; F541-I547 HydrophobicContact CE2-CG1 4Å; F541-Y588 VanDerWaalsContact O-CE2 3.32Å; F541-Y588 WeakPolarHBondContact O-CE2 3.41Å
542	S	86.5	Confident	89.9	Confident	28 Å²	28	63.9 Å²	63.9	20%	0.196	32%	0.318	C	S	.	.	S	Bend	trans	-156.3	179	175.4	81.7	0	0	0	0	110.1	R540 I544 D545 Y588	R540-S542 WeakPolarHBondContact CG-O 3.47Å; R540-S542 PolarHBondContact NE-O 3.24Å; S542-I544 PolarHBondContact O-N 3.07Å; S542-I544 VanDerWaalsContact O-N 3.14Å; S542-I544 VanDerWaalsContact OG-CG1 3.32Å; S542-I544 WeakPolarHBondContact OG-CG1 3.36Å; S542-I544 PolarHBondContact OG-N 2.85Å; S542-I544 VanDerWaalsContact OG-N 3.12Å; S542-D545 VanDerWaalsContact CB-OD2 3.28Å; S542-D545 WeakPolarHBondContact CB-OD2 3.41Å; S542-D545 VanDerWaalsContact OG-CG 3.26Å; S542-D545 PolarHBondContact OG-N 2.86Å; S542-D545 VanDerWaalsContact OG-N 3.14Å; S542-D545 PolarHBondContact OG-OD2 2.84Å; S542-Y588 WeakPolarHBondContact O-CB 3.5Å
543	N	80.7	Confident	90.2	Very high	84 Å²	84	63.2 Å²	63.2	45%	0.449	31%	0.308	S	S	.	.	S	Bend	trans	-61.3	-20.8	175	-74.9	-15.9	0	0	0	114.1	R540 F546 T586 D587 Y588	R540-N543 PolarHBondContact NH2-O 3.17Å; N543-F546 WeakPolarHBondContact O-CZ 3.39Å; N543-T586 PolarHBondContact OD1-O 2.87Å; N543-T586 VanDerWaalsContact OD1-O 3.14Å; N543-D587 WeakPolarHBondContact OD1-CA 3.49Å; N543-Y588 WeakPolarHBondContact OD1-CD1 3.3Å; N543-Y588 PolarHBondContact OD1-N 3.18Å
544	I	82.4	Confident	90.5	Very high	134 Å²	134	62.9 Å²	62.9	69%	0.687	31%	0.305	S	S	*	.	S	Bend	trans	-112.2	-21.5	-176.2	60.3	172.9	0	0	0	114.8	S542 F546	S542-I544 PolarHBondContact O-N 3.07Å; S542-I544 VanDerWaalsContact O-N 3.14Å; S542-I544 VanDerWaalsContact OG-CG1 3.32Å; S542-I544 WeakPolarHBondContact OG-CG1 3.36Å; S542-I544 PolarHBondContact OG-N 2.85Å; S542-I544 VanDerWaalsContact OG-N 3.12Å; I544-F546 VanDerWaalsContact O-CD2 3.25Å; I544-F546 WeakPolarHBondContact O-CD2 3.39Å; I544-F546 PolarHBondContact O-N 2.92Å
545	D	89.4	Confident	91.1	Very high	77 Å²	77	61.8 Å²	61.8	41%	0.412	30%	0.299	S	S	.	.			trans	-88.4	85.5	-171.3	-64.6	-57.7	0	0	0	112.6	R540 S542	R540-D545 WeakPolarHBondContact CA-O 3.49Å; S542-D545 VanDerWaalsContact CB-OD2 3.28Å; S542-D545 WeakPolarHBondContact CB-OD2 3.41Å; S542-D545 VanDerWaalsContact OG-CG 3.26Å; S542-D545 PolarHBondContact OG-N 2.86Å; S542-D545 VanDerWaalsContact OG-N 3.14Å; S542-D545 PolarHBondContact OG-OD2 2.84Å
546	F	91.8	Very high	91.5	Very high	42 Å²	42	59.3 Å²	59.3	18%	0.184	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	97.8	178.3	-59.3	-74.8	0	0	0	111.8	G532 N534 Y537 R540 N543 I544 P548	G532-F546 WeakPolarHBondContact CA-O 3.44Å; G532-F546 WeakPolarHBondContact O-CB 3.37Å; N534-F546 HydrophobicContact CB-CE1 4.11Å; N534-F546 HydrophobicContact CB-CE2 4.07Å; N534-F546 HydrophobicContact CB-CZ 3.71Å; Y537-F546 AromaticContact CD1-CD1 3.69Å; Y537-F546 HydrophobicContact CD1-CD1 3.69Å; Y537-F546 HydrophobicContact CD1-CE1 4.43Å; Y537-F546 HydrophobicContact CD2-CD1 4.46Å; Y537-F546 AromaticContact CE1-CD1 3.53Å; Y537-F546 HydrophobicContact CE1-CD1 3.53Å; Y537-F546 AromaticContact CE1-CE1 3.82Å; Y537-F546 HydrophobicContact CE1-CE1 3.82Å; Y537-F546 HydrophobicContact CE2-CD1 4.35Å; Y537-F546 HydrophobicContact CG-CD1 4.11Å; Y537-F546 AromaticContact CZ-CD1 3.84Å; Y537-F546 AromaticContact CZ-CE1 3.97Å; R540-F546 HydrophobicContact CG-CD1 4.23Å; R540-F546 HydrophobicContact CG-CE1 4.26Å; N543-F546 WeakPolarHBondContact O-CZ 3.39Å; I544-F546 VanDerWaalsContact O-CD2 3.25Å; I544-F546 WeakPolarHBondContact O-CD2 3.39Å; I544-F546 PolarHBondContact O-N 2.92Å; F546-P548 WeakPolarHBondContact O-CD 3.48Å
547	I	93.9	Very high	91.6	Very high	72 Å²	72	59.3 Å²	59.3	37%	0.369	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.1	-176.6	-50.5	-57.2	0	0	0	110.5	Y537 C538 R539 F541	Y537-I547 WeakPolarHBondContact CB-O 3.41Å; C538-I547 PolarHBondContact N-O 3.48Å; R539-I547 HydrophobicContact CB-CB 4.13Å; R539-I547 HydrophobicContact CB-CG1 4.33Å; R539-I547 PolarHBondContact N-O 2.96Å; R539-I547 WeakPolarHBondContact O-CB 3.36Å; R539-I547 PolarHBondContact O-N 3.34Å; F541-I547 HydrophobicContact CD2-CG1 4.06Å; F541-I547 HydrophobicContact CE2-CG1 4Å
548	P	95.9	Very high	91.6	Very high	60 Å²	60	59.3 Å²	59.3	39%	0.39	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.3	146.7	179.5	27.3	-34.6	0	0	0	112.4	T530 F546	T530-P548 VanDerWaalsContact O-CB 3.3Å; T530-P548 WeakPolarHBondContact O-CB 3.47Å; F546-P548 WeakPolarHBondContact O-CD 3.48Å
549	C	95.9	Very high	91.8	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.054	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-67.5	147.5	171.3	-67.7	0	0	0	0	112.4	N529 C538 D553 V554	N529-C549 HydrophobicContact CB-CB 4.15Å; N529-C549 PolarHBondContact O-N 3.15Å; C538-C549 WeakPolarHBondContact CA-SG 3.36Å; C538-C549 HydrophobicContact CB-CB 3.95Å; C538-C549 WeakPolarHBondContact CB-SG 3.41Å; C538-C549 PolarHBondContact N-SG 2.95Å; C538-C549 VanDerWaalsContact N-SG 3.43Å; C538-C549 WeakPolarHBondContact SG-CA 3.1Å; C538-C549 WeakPolarHBondContact SG-CB 3.46Å; C538-C549 CovalentContact SG-SG 2.01Å; C538-C549 PolarHBondContact SG-SG 3.18Å; C549-D553 HydrophobicContact CB-CB 4.17Å; C549-V554 HydrophobicContact CB-CG1 4.21Å
550	Q	95.9	Very high	92.1	Very high	120 Å²	120	55.3 Å²	55.3	56%	0.561	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-69	162.6	158.8	-59	-57.7	-40.6	0	0	110.3	Q552 D553 V554	Q550-Q552 VanDerWaalsContact C-N 3.26Å; Q550-Q552 PolarHBondContact O-N 2.03Å; Q550-D553 PolarHBondContact O-N 3.31Å; Q550-V554 WeakPolarHBondContact O-CG1 3.42Å; Q550-V554 PolarHBondContact O-N 3.03Å
551	K	93.6	Very high	92.6	Very high	184 Å²	184	54.1 Å²	54.1	80%	0.8	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.1	-175.4	-73.6	-173.4	176.3	-179.1	0	113.9
552	Q	93.9	Very high	93.1	Very high	123 Å²	123	50.7 Å²	50.7	58%	0.575	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.4	174.6	66.8	-82.1	10.2	0	0	113.7	Q550 C612	Q550-Q552 VanDerWaalsContact C-N 3.26Å; Q550-Q552 PolarHBondContact O-N 2.03Å; Q552-C612 WeakPolarHBondContact O-CB 3.48Å
553	D	95.9	Very high	93.4	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.043	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3	-173.2	-61.4	-38.9	0	0	0	113	C549 Q550 L555 C556 G557 Q611 C612	C549-D553 HydrophobicContact CB-CB 4.17Å; Q550-D553 PolarHBondContact O-N 3.31Å; D553-L555 PolarHBondContact O-N 2.9Å; D553-C556 PolarHBondContact O-N 2.79Å; D553-G557 PolarHBondContact O-N 3.5Å; D553-Q611 VanDerWaalsContact OD1-CA 3.31Å; D553-Q611 WeakPolarHBondContact OD1-CA 3.34Å; D553-C612 PolarHBondContact OD1-N 2.94Å
554	V	96.5	Very high	93.8	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.109	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.5	-172.4	-61.8	0	0	0	0	114.7	Y526 N529 T530 C549 Q550 C556	Y526-V554 WeakPolarHBondContact CD1-O 3.34Å; N529-V554 PolarHBondContact ND2-O 3.29Å; T530-V554 HydrophobicContact CG2-CG1 3.48Å; T530-V554 VanDerWaalsContact CG2-CG1 3.48Å; C549-V554 HydrophobicContact CB-CG1 4.21Å; Q550-V554 WeakPolarHBondContact O-CG1 3.42Å; Q550-V554 PolarHBondContact O-N 3.03Å; V554-C556 VanDerWaalsContact C-N 3.3Å
555	L	96.1	Very high	93.8	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.209	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1.1	176.9	-62.1	-178.7	0	0	0	113.9	Y526 D553 V595 C601 C607	Y526-L555 HydrophobicContact CD1-CD2 3.93Å; Y526-L555 HydrophobicContact CD2-CD2 4.1Å; Y526-L555 HydrophobicContact CG-CD2 3.69Å; D553-L555 PolarHBondContact O-N 2.9Å; L555-V595 WeakPolarHBondContact O-CG2 3.43Å; L555-C601 HydrophobicContact CB-CB 4.21Å; L555-C607 PolarHBondContact O-SG 3.01Å
556	C	96	Very high	93.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-122.5	3.4	-179.1	-59.8	0	0	0	0	114	D553 V554 C601 C607 N610	D553-C556 PolarHBondContact O-N 2.79Å; V554-C556 VanDerWaalsContact C-N 3.3Å; C556-C601 VanDerWaalsContact SG-CB 3.51Å; C556-C607 WeakPolarHBondContact CA-SG 3.36Å; C556-C607 HydrophobicContact CB-CB 3.63Å; C556-C607 WeakPolarHBondContact CB-SG 2.99Å; C556-C607 WeakPolarHBondContact SG-CA 3.33Å; C556-C607 WeakPolarHBondContact SG-CB 3.03Å; C556-C607 CovalentContact SG-SG 2.04Å; C556-C607 PolarHBondContact SG-SG 3.11Å; C556-N610 WeakPolarHBondContact O-CA 3.42Å; C556-N610 WeakPolarHBondContact O-CB 3.33Å; C556-N610 PolarHBondContact O-ND2 3.23Å
557	G	94.4	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-82	-135.3	168.5	0	0	0	0	0	112.2	Y537 D553 Q594 V595	Y537-G557 CarbonylContact O-C 3.57Å; Y537-G557 WeakPolarHBondContact O-CA 3.48Å; D553-G557 PolarHBondContact O-N 3.5Å; G557-Q594 WeakPolarHBondContact O-CA 3.42Å; G557-V595 PolarHBondContact O-N 2.91Å
558	K	94.3	Very high	91.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-64.8	141.7	174.6	-57.7	-68	-66.9	-153.4	0	112.2	N529 Y537 F560 M583 D591 G593 Q594	N529-K558 PolarHBondContact ND2-N 3Å; N529-K558 VanDerWaalsContact ND2-N 3.19Å; N529-K558 PolarHBondContact ND2-O 3.2Å; N529-K558 VanDerWaalsContact OD1-CB 3.29Å; N529-K558 WeakPolarHBondContact OD1-CB 3.4Å; N529-K558 PolarHBondContact OD1-N 3.16Å; N529-K558 VanDerWaalsContact OD1-N 3.14Å; Y537-K558 HydrophobicContact CD1-CD 3.98Å; Y537-K558 HydrophobicContact CD1-CG 3.78Å; Y537-K558 HydrophobicContact CD2-CD 4.32Å; Y537-K558 HydrophobicContact CE1-CD 3.65Å; Y537-K558 HydrophobicContact CE1-CG 3.94Å; Y537-K558 HydrophobicContact CE2-CD 3.98Å; Y537-K558 HydrophobicContact CG-CD 4.36Å; Y537-K558 HydrophobicContact CG-CG 4.18Å; Y537-K558 PolarHBondContact O-N 2.87Å; Y537-K558 VanDerWaalsContact O-N 3.12Å; Y537-K558 PolarHBondContact OH-NZ 3.19Å; K558-F560 HydrophobicContact CB-CE2 4.37Å; K558-F560 HydrophobicContact CB-CZ 4.25Å; K558-F560 WeakPolarHBondContact O-CD2 3.32Å; K558-F560 WeakPolarHBondContact O-CE2 3.26Å; K558-M583 WeakPolarHBondContact CE-O 3.37Å; K558-M583 PolarHBondContact NZ-O 2.78Å; K558-D591 VanDerWaalsContact NZ-CG 3.29Å; K558-D591 IonicContact NZ-OD1 2.68Å; K558-D591 PolarHBondContact NZ-OD1 3.22Å; K558-D591 IonicContact NZ-OD2 3.13Å; K558-D591 PolarHBondContact NZ-OD2 3.44Å; K558-G593 WeakPolarHBondContact CA-O 3.47Å; K558-G593 VanDerWaalsContact CE-O 3.24Å; K558-G593 WeakPolarHBondContact CE-O 3.28Å; K558-Q594 HydrophobicContact CD-CG 4.05Å
559	L	95.3	Very high	89.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.			trans	-74.4	136.3	173.2	179.6	71.8	0	0	0	110.1	R506 Q509 M583 G593 V595	R506-L559 HydrophobicContact CB-CD1 3.71Å; R506-L559 HydrophobicContact CG-CD1 3.79Å; Q509-L559 HydrophobicContact CB-CD1 4.48Å; Q509-L559 HydrophobicContact CB-CD2 3.98Å; Q509-L559 HydrophobicContact CG-CD2 3.8Å; L559-M583 HydrophobicContact CD2-CE 4.13Å; L559-G593 PolarHBondContact N-O 3.35Å; L559-V595 HydrophobicContact CB-CG2 4.16Å; L559-V595 HydrophobicContact CD1-CG2 4.12Å
560	F	96.1	Very high	88.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.			trans	-120	130.3	170.8	-62.2	-78.4	0	0	0	111.2	A521 C525 Y526 Y535 K558 F576 K581 A582	A521-F560 VanDerWaalsContact CB-C 3.44Å; A521-F560 HydrophobicContact CB-CB 3.77Å; A521-F560 VanDerWaalsContact CB-O 3.28Å; A521-F560 WeakPolarHBondContact CB-O 3.45Å; A521-F560 PolarHBondContact N-O 3.42Å; C525-F560 HydrophobicContact CB-CB 3.75Å; C525-F560 HydrophobicContact CB-CD1 4.29Å; C525-F560 HydrophobicContact CB-CD2 4.32Å; C525-F560 HydrophobicContact CB-CG 3.85Å; Y526-F560 AromaticContact CD1-CD2 3.67Å; Y526-F560 HydrophobicContact CD1-CD2 3.67Å; Y526-F560 HydrophobicContact CD1-CE2 4.3Å; Y526-F560 HydrophobicContact CD2-CB 4.39Å; Y526-F560 HydrophobicContact CD2-CD2 4.21Å; Y526-F560 HydrophobicContact CE1-CB 4.42Å; Y526-F560 AromaticContact CE1-CD2 3.84Å; Y526-F560 HydrophobicContact CE1-CD2 3.84Å; Y526-F560 HydrophobicContact CE2-CB 3.93Å; Y526-F560 HydrophobicContact CE2-CD2 4.37Å; Y526-F560 AromaticContact CG-CD2 3.84Å; Y526-F560 HydrophobicContact CG-CD2 3.84Å; Y526-F560 PolarHBondContact OH-N 3.09Å; Y526-F560 PolarHBondContact OH-O 3.35Å; Y535-F560 WeakPolarHBondContact O-CZ 3.44Å; K558-F560 HydrophobicContact CB-CE2 4.37Å; K558-F560 HydrophobicContact CB-CZ 4.25Å; K558-F560 WeakPolarHBondContact O-CD2 3.32Å; K558-F560 WeakPolarHBondContact O-CE2 3.26Å; F560-F576 AromaticContact CD1-CE1 3.98Å; F560-F576 HydrophobicContact CD1-CE1 3.98Å; F560-F576 AromaticContact CD1-CZ 3.72Å; F560-F576 HydrophobicContact CD1-CZ 3.72Å; F560-F576 AromaticContact CE1-CE1 3.69Å; F560-F576 HydrophobicContact CE1-CE1 3.69Å; F560-F576 AromaticContact CE1-CZ 3.45Å; F560-F576 HydrophobicContact CE1-CZ 3.45Å; F560-F576 VanDerWaalsContact CE1-CZ 3.45Å; F560-F576 HydrophobicContact CZ-CZ 4.35Å; F560-K581 WeakPolarHBondContact CA-O 3.26Å; F560-A582 HydrophobicContact CD1-CB 3.72Å; F560-A582 HydrophobicContact CE1-CB 3.62Å
561	C	95.8	Very high	87.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.6	-176	-56.7	0	0	0	0	112	C510 Y514 D519 K581	C510-C561 WeakPolarHBondContact CA-SG 3.36Å; C510-C561 HydrophobicContact CB-CB 3.71Å; C510-C561 WeakPolarHBondContact CB-SG 3.37Å; C510-C561 WeakPolarHBondContact SG-CA 3.43Å; C510-C561 WeakPolarHBondContact SG-CB 3.13Å; C510-C561 CovalentContact SG-SG 2.04Å; C510-C561 PolarHBondContact SG-SG 3.41Å; Y514-C561 HydrophobicContact CD2-CB 3.67Å; Y514-C561 HydrophobicContact CE2-CB 3.69Å; D519-C561 CarbonylContact O-C 3.54Å; D519-C561 WeakPolarHBondContact O-CA 3.48Å; C561-K581 PolarHBondContact N-O 3.26Å; C561-K581 WeakPolarHBondContact O-CA 3.41Å; C561-K581 WeakPolarHBondContact O-CB 3.39Å; C561-K581 PolarHBondContact O-N 3.18Å
562	Q	95.2	Very high	86.1	Confident	65 Å²	65	40.2 Å²	40.2	30%	0.304	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	166.6	171.7	63	179.1	-15.2	0	0	110.5	A518 D519 E520	A518-Q562 CarbonylContact C-O 3.6Å; A518-Q562 VanDerWaalsContact CA-O 3.31Å; A518-Q562 WeakPolarHBondContact CA-O 3.31Å; D519-Q562 PolarHBondContact N-O 2.9Å; D519-Q562 PolarHBondContact O-N 2.83Å; E520-Q562 WeakPolarHBondContact O-CG 3.42Å; E520-Q562 PolarHBondContact O-NE2 3.5Å
563	G	91.9	Very high	85.6	Confident	44 Å²	44	37.5 Å²	37.5	45%	0.454	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65.4	-154.2	-176.3	0	0	0	0	0	112.9	K581	G563-K581 WeakPolarHBondContact O-CE 3.37Å; G563-K581 PolarHBondContact O-NZ 3.26Å
564	G	89.6	Confident	85.1	Confident	26 Å²	26	38.6 Å²	38.6	27%	0.268	23%	0.228	S	C	.	.	S	Bend	trans	66.1	-172.7	175.5	0	0	0	0	0	116.1	Y514 A517 K581	Y514-G564 WeakPolarHBondContact O-CA 3.4Å; A517-G564 PolarHBondContact O-N 2.98Å; G564-K581 PolarHBondContact O-NZ 3.04Å
565	N	82.3	Confident	84.7	Confident	90 Å²	90	41 Å²	41	48%	0.481	24%	0.243	S	C	.	.			trans	-54.2	151	175	-69.7	-14.3	0	0	0	111.5	Y514 N567 K581	Y514-N565 WeakPolarHBondContact O-CB 3.38Å; Y514-N565 PolarHBondContact O-N 2.85Å; N565-N567 PolarHBondContact O-N 3.45Å; N565-K581 PolarHBondContact O-NZ 3.25Å
566	P	76.6	Confident	84.2	Confident	89 Å²	89	40.2 Å²	40.2	58%	0.578	24%	0.238	S	C	*	.	S	Bend	trans	-59	-48.2	178.3	23	-32.4	0	0	0	111.5	M573	P566-M573 WeakPolarHBondContact O-CE 3.07Å; P566-M573 WeakPolarHBondContact O-CG 3.45Å
567	N	78.3	Confident	83.5	Confident	103 Å²	103	44.1 Å²	44.1	55%	0.551	27%	0.265	S	S	*	.	S	Bend	trans	-101.5	151.9	-179.3	-60.5	-11.7	0	0	0	111.1	N565	N565-N567 PolarHBondContact O-N 3.45Å
568	P	72.6	Confident	82.8	Confident	19 Å²	19	47.6 Å²	47.6	12%	0.123	30%	0.301	C	S	.	.			trans	-72.5	170.2	168.6	35.6	-38.2	0	0	0	111	V513 Y514 Y570 G571 M583	V513-P568 HydrophobicContact CG1-CB 3.47Å; V513-P568 VanDerWaalsContact CG1-CB 3.47Å; V513-P568 CarbonylContact O-C 3.6Å; V513-P568 WeakPolarHBondContact O-CA 3.22Å; Y514-P568 HydrophobicContact CD1-CB 4.21Å; Y514-P568 HydrophobicContact CE1-CB 3.78Å; Y514-P568 HydrophobicContact CE1-CG 4.32Å; P568-Y570 VanDerWaalsContact C-N 3.32Å; P568-Y570 WeakPolarHBondContact CB-O 3.2Å; P568-Y570 WeakPolarHBondContact CG-O 3.42Å; P568-G571 VanDerWaalsContact CG-O 3.25Å; P568-G571 WeakPolarHBondContact CG-O 3.34Å; P568-M583 HydrophobicContact CB-CG 4.06Å; P568-M583 HydrophobicContact CB-SD 4.35Å; P568-M583 HydrophobicContact CG-CG 4.22Å
569	I	61.6	Low	82.5	Confident	85 Å²	85	51 Å²	51	44%	0.436	32%	0.322	S	S	.	.	S	Bend	trans	-81.1	-4.5	170.9	57.7	155	0	0	0	114.7	K512 V513	K512-I569 VanDerWaalsContact O-CD1 3.26Å; K512-I569 WeakPolarHBondContact O-CD1 3.36Å; V513-I569 PolarHBondContact O-N 2.93Å
570	Y	63.5	Low	82.4	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.02	32%	0.323	C	S	.	.	S	Bend	trans	-160.9	151.8	173	48.1	-106.2	0	0	0	110.1	P178 V513 P568 M583 F585	P178-Y570 HydrophobicContact CB-CE1 3.65Å; P178-Y570 WeakPolarHBondContact CB-OH 3.14Å; P178-Y570 HydrophobicContact CG-CE1 4.14Å; P178-Y570 HydrophobicContact CG-CE2 4.3Å; V513-Y570 HydrophobicContact CG2-CE2 4.3Å; V513-Y570 WeakPolarHBondContact CG2-OH 3.35Å; P568-Y570 VanDerWaalsContact C-N 3.32Å; P568-Y570 WeakPolarHBondContact CB-O 3.2Å; P568-Y570 WeakPolarHBondContact CG-O 3.42Å; Y570-M583 HydrophobicContact CD2-SD 3.98Å; Y570-M583 HydrophobicContact CE2-SD 3.65Å; Y570-F585 HydrophobicContact CD2-CE1 4.4Å; Y570-F585 AromaticContact CD2-CZ 3.97Å; Y570-F585 HydrophobicContact CD2-CZ 3.97Å; Y570-F585 HydrophobicContact CE2-CZ 4.48Å
571	G	69	Low	82.2	Confident	26 Å²	26	52.5 Å²	52.5	27%	0.268	33%	0.329	S	S	.	.	S	Bend	trans	73.6	168.9	-180	0	0	0	0	0	115.2	P568	P568-G571 VanDerWaalsContact CG-O 3.25Å; P568-G571 WeakPolarHBondContact CG-O 3.34Å
572	Q	73.9	Confident	82	Confident	103 Å²	103	52.4 Å²	52.4	48%	0.481	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.9	-175.5	-62.5	-171.5	5	0	0	112.2	M583 F584	Q572-M583 CarbonylContact O-C 3.31Å; Q572-M583 WeakPolarHBondContact O-CA 3.48Å; Q572-F584 HydrophobicContact CB-CD1 4.06Å; Q572-F584 HydrophobicContact CB-CD2 4.14Å; Q572-F584 HydrophobicContact CB-CE1 3.68Å; Q572-F584 HydrophobicContact CB-CE2 3.78Å; Q572-F584 HydrophobicContact CB-CG 4.27Å; Q572-F584 HydrophobicContact CB-CZ 3.53Å; Q572-F584 HydrophobicContact CG-CE2 4.43Å; Q572-F584 HydrophobicContact CG-CZ 4.46Å; Q572-F584 PolarHBondContact N-O 2.73Å; Q572-F584 VanDerWaalsContact O-CD1 3.31Å; Q572-F584 WeakPolarHBondContact O-CD1 3.21Å; Q572-F584 PolarHBondContact O-N 2.7Å; Q572-F584 VanDerWaalsContact OE1-CZ 3.27Å
573	M	83.8	Confident	81.5	Confident	66 Å²	66	49.3 Å²	49.3	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.1	-175.4	-166.3	-88.9	-73.8	0	0	112.4	Y514 P566 T575	Y514-M573 HydrophobicContact CE1-CG 4.31Å; P566-M573 WeakPolarHBondContact O-CE 3.07Å; P566-M573 WeakPolarHBondContact O-CG 3.45Å; M573-T575 PolarHBondContact SD-OG1 3.09Å
574	V	84.3	Confident	81.1	Confident	30 Å²	30	49.1 Å²	49.1	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.5	160.8	63.8	0	0	0	0	110.3	Y535 F576 K581 A582 F584	Y535-V574 HydrophobicContact CD1-CG1 4.1Å; Y535-V574 HydrophobicContact CD2-CG1 4.09Å; Y535-V574 HydrophobicContact CG-CG1 3.72Å; V574-F576 HydrophobicContact CG2-CD1 4.46Å; V574-K581 CarbonylContact O-C 3.59Å; V574-K581 WeakPolarHBondContact O-CA 3.11Å; V574-A582 HydrophobicContact CG1-CB 3.88Å; V574-A582 PolarHBondContact N-O 3.25Å; V574-A582 PolarHBondContact O-N 3.41Å; V574-F584 HydrophobicContact CB-CD1 4.2Å; V574-F584 HydrophobicContact CB-CE1 4.21Å; V574-F584 HydrophobicContact CG1-CD1 4.23Å
575	T	88.6	Confident	80.6	Confident	68 Å²	68	48.6 Å²	48.6	42%	0.417	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.1	169.5	-62.1	0	0	0	0	109.1	M573 C580	M573-T575 PolarHBondContact SD-OG1 3.09Å; T575-C580 CarbonylContact C-O 3.57Å; T575-C580 WeakPolarHBondContact CA-O 3.2Å
576	F	85.9	Confident	80.4	Confident	25 Å²	25	49.3 Å²	49.3	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.5	177.6	63.1	-88.8	0	0	0	111.7	Y528 Y535 F560 V574 G578 V579 C580 A582	Y528-F576 HydrophobicContact CD1-CD2 4.03Å; Y528-F576 AromaticContact CD1-CE2 3.54Å; Y528-F576 HydrophobicContact CD1-CE2 3.54Å; Y528-F576 AromaticContact CD1-CZ 3.9Å; Y528-F576 HydrophobicContact CD1-CZ 3.9Å; Y528-F576 AromaticContact CD2-CE2 3.64Å; Y528-F576 HydrophobicContact CD2-CE2 3.64Å; Y528-F576 HydrophobicContact CD2-CZ 4.28Å; Y528-F576 AromaticContact CE1-CD2 3.5Å; Y528-F576 HydrophobicContact CE1-CD2 3.5Å; Y528-F576 VanDerWaalsContact CE1-CD2 3.5Å; Y528-F576 AromaticContact CE1-CE2 3.45Å; Y528-F576 HydrophobicContact CE1-CE2 3.45Å; Y528-F576 VanDerWaalsContact CE1-CE2 3.45Å; Y528-F576 HydrophobicContact CE1-CG 4.32Å; Y528-F576 HydrophobicContact CE1-CZ 4.23Å; Y528-F576 HydrophobicContact CE2-CD2 4.1Å; Y528-F576 AromaticContact CE2-CE2 3.61Å; Y528-F576 HydrophobicContact CE2-CE2 3.61Å; Y528-F576 HydrophobicContact CG-CD2 4.5Å; Y528-F576 AromaticContact CG-CE2 3.62Å; Y528-F576 HydrophobicContact CG-CE2 3.62Å; Y528-F576 AromaticContact CG-CZ 3.91Å; Y528-F576 HydrophobicContact CG-CZ 3.91Å; Y528-F576 AromaticContact CZ-CD2 3.53Å; Y528-F576 AromaticContact CZ-CE2 3.48Å; Y528-F576 VanDerWaalsContact CZ-CE2 3.48Å; Y535-F576 HydrophobicContact CD2-CD1 4.32Å; Y535-F576 AromaticContact CD2-CE1 3.88Å; Y535-F576 HydrophobicContact CD2-CE1 3.88Å; Y535-F576 AromaticContact CE2-CD1 3.97Å; Y535-F576 HydrophobicContact CE2-CD1 3.97Å; Y535-F576 AromaticContact CE2-CE1 3.82Å; Y535-F576 HydrophobicContact CE2-CE1 3.82Å; Y535-F576 HydrophobicContact CE2-CZ 4.33Å; F560-F576 AromaticContact CD1-CE1 3.98Å; F560-F576 HydrophobicContact CD1-CE1 3.98Å; F560-F576 AromaticContact CD1-CZ 3.72Å; F560-F576 HydrophobicContact CD1-CZ 3.72Å; F560-F576 AromaticContact CE1-CE1 3.69Å; F560-F576 HydrophobicContact CE1-CE1 3.69Å; F560-F576 AromaticContact CE1-CZ 3.45Å; F560-F576 HydrophobicContact CE1-CZ 3.45Å; F560-F576 VanDerWaalsContact CE1-CZ 3.45Å; F560-F576 HydrophobicContact CZ-CZ 4.35Å; V574-F576 HydrophobicContact CG2-CD1 4.46Å; F576-G578 PolarHBondContact O-N 3.28Å; F576-V579 PolarHBondContact O-N 2.53Å; F576-C580 HydrophobicContact CD1-CB 4.14Å; F576-C580 HydrophobicContact CD2-CB 3.73Å; F576-C580 HydrophobicContact CE1-CB 3.82Å; F576-C580 HydrophobicContact CE2-CB 3.37Å; F576-C580 HydrophobicContact CG-CB 4.11Å; F576-C580 HydrophobicContact CZ-CB 3.43Å; F576-C580 VanDerWaalsContact CZ-CB 3.43Å; F576-C580 PolarHBondContact N-O 2.65Å; F576-C580 WeakPolarHBondContact O-CB 3.27Å; F576-C580 PolarHBondContact O-N 3.39Å; F576-A582 HydrophobicContact CE1-CB 4.43Å
577	S	81.6	Confident	80.4	Confident	81 Å²	81	47.6 Å²	47.6	57%	0.566	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	30.1	-178.3	-58.7	0	0	0	0	114.3	Y528 V579	Y528-S577 PolarHBondContact OH-OG 2.72Å; Y528-S577 VanDerWaalsContact OH-OG 3.11Å; S577-V579 PolarHBondContact O-N 2.03Å
578	G	78.9	Confident	80.4	Confident	73 Å²	73	47.7 Å²	47.7	75%	0.753	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-32.1	180	0	0	0	0	0	115.9	F576	F576-G578 PolarHBondContact O-N 3.28Å
579	V	88.1	Confident	80.3	Confident	73 Å²	73	50.9 Å²	50.9	44%	0.442	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-19.3	-171.4	-61.1	0	0	0	0	115.5	P522 F576 S577 K581	P522-V579 HydrophobicContact CG-CG2 4.48Å; F576-V579 PolarHBondContact O-N 2.53Å; S577-V579 PolarHBondContact O-N 2.03Å; V579-K581 PolarHBondContact O-N 3.28Å
580	C	92.6	Very high	80.6	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.7	-175.8	-52.6	0	0	0	0	110.3	C525 T575 F576	C525-C580 HydrophobicContact CB-CB 3.78Å; C525-C580 WeakPolarHBondContact CB-SG 3.36Å; C525-C580 WeakPolarHBondContact SG-CB 3.21Å; C525-C580 CovalentContact SG-SG 2.04Å; C525-C580 PolarHBondContact SG-SG 3.19Å; T575-C580 CarbonylContact C-O 3.57Å; T575-C580 WeakPolarHBondContact CA-O 3.2Å; F576-C580 HydrophobicContact CD1-CB 4.14Å; F576-C580 HydrophobicContact CD2-CB 3.73Å; F576-C580 HydrophobicContact CE1-CB 3.82Å; F576-C580 HydrophobicContact CE2-CB 3.37Å; F576-C580 HydrophobicContact CG-CB 4.11Å; F576-C580 HydrophobicContact CZ-CB 3.43Å; F576-C580 VanDerWaalsContact CZ-CB 3.43Å; F576-C580 PolarHBondContact N-O 2.65Å; F576-C580 WeakPolarHBondContact O-CB 3.27Å; F576-C580 PolarHBondContact O-N 3.39Å
581	K	93.1	Very high	81.1	Confident	26 Å²	26	50.1 Å²	50.1	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.4	165.9	-62.9	-176.3	172.1	175.3	0	110.9	Y514 F560 C561 G563 G564 N565 V574 V579	Y514-K581 HydrophobicContact CD1-CD 4.17Å; Y514-K581 HydrophobicContact CE1-CB 4.4Å; Y514-K581 HydrophobicContact CE1-CD 3.98Å; Y514-K581 HydrophobicContact CE2-CB 4.27Å; F560-K581 WeakPolarHBondContact CA-O 3.26Å; C561-K581 PolarHBondContact N-O 3.26Å; C561-K581 WeakPolarHBondContact O-CA 3.41Å; C561-K581 WeakPolarHBondContact O-CB 3.39Å; C561-K581 PolarHBondContact O-N 3.18Å; G563-K581 WeakPolarHBondContact O-CE 3.37Å; G563-K581 PolarHBondContact O-NZ 3.26Å; G564-K581 PolarHBondContact O-NZ 3.04Å; N565-K581 PolarHBondContact O-NZ 3.25Å; V574-K581 CarbonylContact O-C 3.59Å; V574-K581 WeakPolarHBondContact O-CA 3.11Å; V579-K581 PolarHBondContact O-N 3.28Å
582	A	89.8	Confident	81.5	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.8	170.4	0	0	0	0	0	111.8	Y514 F560 V574 F576	Y514-A582 PolarHBondContact OH-O 3.24Å; F560-A582 HydrophobicContact CD1-CB 3.72Å; F560-A582 HydrophobicContact CE1-CB 3.62Å; V574-A582 HydrophobicContact CG1-CB 3.88Å; V574-A582 PolarHBondContact N-O 3.25Å; V574-A582 PolarHBondContact O-N 3.41Å; F576-A582 HydrophobicContact CE1-CB 4.43Å
583	M	86.1	Confident	81.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.6	172.2	-63.4	164.4	-80.9	0	0	110.8	V513 K558 L559 P568 Y570 Q572 F585	V513-M583 HydrophobicContact CB-CE 4.4Å; V513-M583 HydrophobicContact CB-SD 4.41Å; V513-M583 HydrophobicContact CG1-CE 3.83Å; V513-M583 HydrophobicContact CG1-CG 4.2Å; V513-M583 HydrophobicContact CG1-SD 3.44Å; V513-M583 WeakPolarHBondContact CG1-SD 3.48Å; V513-M583 HydrophobicContact CG2-CE 3.78Å; V513-M583 HydrophobicContact CG2-SD 4Å; K558-M583 WeakPolarHBondContact CE-O 3.37Å; K558-M583 PolarHBondContact NZ-O 2.78Å; L559-M583 HydrophobicContact CD2-CE 4.13Å; P568-M583 HydrophobicContact CB-CG 4.06Å; P568-M583 HydrophobicContact CB-SD 4.35Å; P568-M583 HydrophobicContact CG-CG 4.22Å; Y570-M583 HydrophobicContact CD2-SD 3.98Å; Y570-M583 HydrophobicContact CE2-SD 3.65Å; Q572-M583 CarbonylContact O-C 3.31Å; Q572-M583 WeakPolarHBondContact O-CA 3.48Å; M583-F585 HydrophobicContact CB-CE2 3.84Å; M583-F585 HydrophobicContact CB-CZ 4.33Å
584	F	82.1	Confident	82.2	Confident	40 Å²	40	45.1 Å²	45.1	18%	0.175	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.3	165.7	70.1	-84.3	0	0	0	111.6	N534 Q572 V574	N534-F584 WeakPolarHBondContact O-CB 3.5Å; Q572-F584 HydrophobicContact CB-CD1 4.06Å; Q572-F584 HydrophobicContact CB-CD2 4.14Å; Q572-F584 HydrophobicContact CB-CE1 3.68Å; Q572-F584 HydrophobicContact CB-CE2 3.78Å; Q572-F584 HydrophobicContact CB-CG 4.27Å; Q572-F584 HydrophobicContact CB-CZ 3.53Å; Q572-F584 HydrophobicContact CG-CE2 4.43Å; Q572-F584 HydrophobicContact CG-CZ 4.46Å; Q572-F584 PolarHBondContact N-O 2.73Å; Q572-F584 VanDerWaalsContact O-CD1 3.31Å; Q572-F584 WeakPolarHBondContact O-CD1 3.21Å; Q572-F584 PolarHBondContact O-N 2.7Å; Q572-F584 VanDerWaalsContact OE1-CZ 3.27Å; V574-F584 HydrophobicContact CB-CD1 4.2Å; V574-F584 HydrophobicContact CB-CE1 4.21Å; V574-F584 HydrophobicContact CG1-CD1 4.23Å
585	F	80.4	Confident	82.6	Confident	15 Å²	15	44 Å²	44	7%	0.066	25%	0.252	C	S	.	.			trans	-131.8	134.9	-175.6	-60.8	-99.7	0	0	0	107.9	R540 Y570 M583 D587 K590 D591 Y592	R540-F585 PolarHBondContact NH1-O 3.08Å; R540-F585 PolarHBondContact NH2-O 3.21Å; Y570-F585 HydrophobicContact CD2-CE1 4.4Å; Y570-F585 AromaticContact CD2-CZ 3.97Å; Y570-F585 HydrophobicContact CD2-CZ 3.97Å; Y570-F585 HydrophobicContact CE2-CZ 4.48Å; M583-F585 HydrophobicContact CB-CE2 3.84Å; M583-F585 HydrophobicContact CB-CZ 4.33Å; F585-D587 WeakPolarHBondContact CB-O 3.11Å; F585-K590 WeakPolarHBondContact CD1-O 3.35Å; F585-K590 WeakPolarHBondContact CE1-O 3.49Å; F585-K590 WeakPolarHBondContact CG-O 3.46Å; F585-D591 HydrophobicContact CD2-CB 4.24Å; F585-D591 WeakPolarHBondContact CD2-OD1 3.47Å; F585-D591 WeakPolarHBondContact CE2-OD1 3.35Å; F585-Y592 HydrophobicContact CE1-CD2 4.18Å; F585-Y592 HydrophobicContact CZ-CD2 4.47Å
586	T	78.1	Confident	82.5	Confident	105 Å²	105	43.4 Å²	43.4	64%	0.644	25%	0.247	S	C	*	.	S	Bend	trans	-64.1	-52.9	175.4	40.9	0	0	0	0	109.8	R540 N543	R540-T586 PolarHBondContact NH2-O 2.86Å; N543-T586 PolarHBondContact OD1-O 2.87Å; N543-T586 VanDerWaalsContact OD1-O 3.14Å
587	D	76.6	Confident	82.4	Confident	52 Å²	52	46 Å²	46	28%	0.278	26%	0.259	S	S	.	.	S	Bend	trans	-68.3	142.1	170	-159.7	-31.3	0	0	0	111.4	R540 N543 F585 T589 K590	R540-D587 PolarHBondContact NH1-O 3.21Å; N543-D587 WeakPolarHBondContact OD1-CA 3.49Å; F585-D587 WeakPolarHBondContact CB-O 3.11Å; D587-T589 WeakPolarHBondContact OD1-CB 3.34Å; D587-T589 PolarHBondContact OD1-N 2.86Å; D587-T589 PolarHBondContact OD1-OG1 2.19Å; D587-T589 PolarHBondContact OD2-OG1 3.18Å; D587-K590 HydrophobicContact CB-CB 4.42Å; D587-K590 HydrophobicContact CB-CG 4.32Å
588	Y	77.6	Confident	82.5	Confident	105 Å²	105	42.2 Å²	42.2	41%	0.412	23%	0.233	S	C	.	.	S	Bend	trans	-88	-24.2	174.6	80.4	-72.3	0	0	0	113.3	F541 S542 N543 K590	F541-Y588 VanDerWaalsContact O-CE2 3.32Å; F541-Y588 WeakPolarHBondContact O-CE2 3.41Å; S542-Y588 WeakPolarHBondContact O-CB 3.5Å; N543-Y588 WeakPolarHBondContact OD1-CD1 3.3Å; N543-Y588 PolarHBondContact OD1-N 3.18Å; Y588-K590 VanDerWaalsContact C-N 3.3Å
589	T	71.1	Confident	83.2	Confident	86 Å²	86	38.9 Å²	38.9	53%	0.528	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.2	178.6	65.6	0	0	0	0	112.3	D587	D587-T589 WeakPolarHBondContact OD1-CB 3.34Å; D587-T589 PolarHBondContact OD1-N 2.86Å; D587-T589 PolarHBondContact OD1-OG1 2.19Å; D587-T589 PolarHBondContact OD2-OG1 3.18Å
590	K	67.8	Low	83.5	Confident	57 Å²	57	37.4 Å²	37.4	25%	0.248	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	21.5	-179.2	-49	-168.1	-173.5	-168.8	0	113.8	D175 F585 D587 Y588 Y592	D175-K590 HydrophobicContact CB-CD 3.88Å; D175-K590 VanDerWaalsContact CG-CD 3.46Å; D175-K590 WeakPolarHBondContact OD1-CD 3.5Å; D175-K590 IonicContact OD1-NZ 2.75Å; D175-K590 IonicContact OD2-NZ 2.74Å; D175-K590 PolarHBondContact OD2-NZ 3.39Å; F585-K590 WeakPolarHBondContact CD1-O 3.35Å; F585-K590 WeakPolarHBondContact CE1-O 3.49Å; F585-K590 WeakPolarHBondContact CG-O 3.46Å; D587-K590 HydrophobicContact CB-CB 4.42Å; D587-K590 HydrophobicContact CB-CG 4.32Å; Y588-K590 VanDerWaalsContact C-N 3.3Å; K590-Y592 HydrophobicContact CB-CE2 3.96Å; K590-Y592 VanDerWaalsContact O-CD2 3.28Å; K590-Y592 WeakPolarHBondContact O-CD2 3.21Å; K590-Y592 WeakPolarHBondContact O-CE2 3.46Å; K590-Y592 PolarHBondContact O-N 2.89Å
591	D	73.2	Confident	83.6	Confident	17 Å²	17	38 Å²	38	9%	0.091	19%	0.19	C	C	.	.			trans	-77.8	86.8	-180	178.9	29.8	0	0	0	113.3	Y537 K558 F585 G593 Q594	Y537-D591 WeakPolarHBondContact CE2-OD2 3.27Å; Y537-D591 VanDerWaalsContact CZ-OD2 3.29Å; Y537-D591 PolarHBondContact OH-OD2 3.36Å; K558-D591 VanDerWaalsContact NZ-CG 3.29Å; K558-D591 IonicContact NZ-OD1 2.68Å; K558-D591 PolarHBondContact NZ-OD1 3.22Å; K558-D591 IonicContact NZ-OD2 3.13Å; K558-D591 PolarHBondContact NZ-OD2 3.44Å; F585-D591 HydrophobicContact CD2-CB 4.24Å; F585-D591 WeakPolarHBondContact CD2-OD1 3.47Å; F585-D591 WeakPolarHBondContact CE2-OD1 3.35Å; D591-G593 VanDerWaalsContact C-N 3.29Å; D591-G593 PolarHBondContact O-N 3.42Å; D591-G593 PolarHBondContact OD1-N 3Å; D591-Q594 WeakPolarHBondContact OD2-CG 3.33Å; D591-Q594 PolarHBondContact OD2-NE2 2.88Å
592	Y	77.5	Confident	83.6	Confident	45 Å²	45	37.9 Å²	37.9	18%	0.176	20%	0.197	C	C	.	.			trans	-92	18.7	173.8	-37.1	-61.4	0	0	0	113.7	E177 P178 F585 K590	E177-Y592 HydrophobicContact CG-CE1 3.94Å; E177-Y592 HydrophobicContact CG-CE2 4.49Å; E177-Y592 WeakPolarHBondContact CG-OH 3.38Å; P178-Y592 VanDerWaalsContact CD-CD2 3.4Å; P178-Y592 VanDerWaalsContact CG-CB 3.49Å; P178-Y592 HydrophobicContact CG-CD1 4.27Å; P178-Y592 HydrophobicContact CG-CD2 4.27Å; P178-Y592 HydrophobicContact CG-CG 3.76Å; F585-Y592 HydrophobicContact CE1-CD2 4.18Å; F585-Y592 HydrophobicContact CZ-CD2 4.47Å; K590-Y592 HydrophobicContact CB-CE2 3.96Å; K590-Y592 VanDerWaalsContact O-CD2 3.28Å; K590-Y592 WeakPolarHBondContact O-CD2 3.21Å; K590-Y592 WeakPolarHBondContact O-CE2 3.46Å; K590-Y592 PolarHBondContact O-N 2.89Å
593	G	83.3	Confident	83.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.			trans	-92.7	11.3	-178.2	0	0	0	0	0	115	K558 L559 D591	K558-G593 WeakPolarHBondContact CA-O 3.47Å; K558-G593 VanDerWaalsContact CE-O 3.24Å; K558-G593 WeakPolarHBondContact CE-O 3.28Å; L559-G593 PolarHBondContact N-O 3.35Å; D591-G593 VanDerWaalsContact C-N 3.29Å; D591-G593 PolarHBondContact O-N 3.42Å; D591-G593 PolarHBondContact OD1-N 3Å
594	Q	89.4	Confident	83.9	Confident	45 Å²	45	47.7 Å²	47.7	21%	0.21	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-90.3	160	-179.7	-61.8	172	18.8	0	0	110.8	Q509 G557 K558 D591 D596 N610	Q509-Q594 PolarHBondContact NE2-O 3.44Å; G557-Q594 WeakPolarHBondContact O-CA 3.42Å; K558-Q594 HydrophobicContact CD-CG 4.05Å; D591-Q594 WeakPolarHBondContact OD2-CG 3.33Å; D591-Q594 PolarHBondContact OD2-NE2 2.88Å; Q594-D596 PolarHBondContact O-N 2.89Å; Q594-N610 PolarHBondContact OE1-ND2 2.56Å; Q594-N610 PolarHBondContact OE1-OD1 3.35Å
595	V	92.9	Very high	84.4	Confident	7 Å²	7	49 Å²	49	4%	0.042	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-66.8	128.3	173.4	172.5	0	0	0	0	109.4	R506 Y526 L555 G557 L559 T599	R506-V595 HydrophobicContact CG-CB 4.47Å; R506-V595 HydrophobicContact CG-CG1 3.7Å; R506-V595 HydrophobicContact CG-CG2 3.96Å; Y526-V595 HydrophobicContact CE1-CG2 4.26Å; L555-V595 WeakPolarHBondContact O-CG2 3.43Å; G557-V595 PolarHBondContact O-N 2.91Å; L559-V595 HydrophobicContact CB-CG2 4.16Å; L559-V595 HydrophobicContact CD1-CG2 4.12Å; V595-T599 HydrophobicContact CG1-CG2 3.88Å
596	D	87.7	Confident	85.1	Confident	56 Å²	56	48.2 Å²	48.2	30%	0.299	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-54.4	141.2	-177.4	-76.4	-22.2	0	0	0	111	Q509 K512 Q594 T599	Q509-D596 VanDerWaalsContact CD-CG 3.42Å; Q509-D596 WeakPolarHBondContact CG-OD2 3.3Å; Q509-D596 PolarHBondContact NE2-OD1 3.17Å; K512-D596 IonicContact NZ-OD2 2.78Å; Q594-D596 PolarHBondContact O-N 2.89Å; D596-T599 VanDerWaalsContact O-CB 3.24Å; D596-T599 WeakPolarHBondContact O-CB 3.46Å; D596-T599 PolarHBondContact O-N 3.48Å; D596-T599 PolarHBondContact O-OG1 2.85Å
597	E	82.8	Confident	85.8	Confident	80 Å²	80	43.4 Å²	43.4	37%	0.374	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	150.4	176.1	-77.4	-160.1	140.5	0	0	112.4	Y499 T599 Q609	Y499-E597 HydrophobicContact CD1-CB 4.16Å; Y499-E597 WeakPolarHBondContact CD1-O 3.28Å; Y499-E597 HydrophobicContact CE1-CB 3.44Å; Y499-E597 VanDerWaalsContact CE1-CB 3.44Å; Y499-E597 PolarHBondContact OH-OE2 3.08Å; E597-T599 PolarHBondContact O-N 3.34Å; E597-Q609 PolarHBondContact OE1-N 3.29Å; E597-Q609 VanDerWaalsContact OE1-N 3.08Å
598	G	83	Confident	86.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-9.1	-175	0	0	0	0	0	115.1	M600 V606 C607 Y619	G598-M600 PolarHBondContact O-N 3.39Å; G598-V606 VanDerWaalsContact O-CG1 3.26Å; G598-V606 WeakPolarHBondContact O-CG1 3.38Å; G598-C607 PolarHBondContact N-O 2.82Å; G598-Y619 WeakPolarHBondContact CA-OH 3.44Å
599	T	93.4	Very high	86.6	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.224	C	C	.	.			trans	-59.6	134.5	177.3	-56.3	0	0	0	0	111.4	R506 V595 D596 E597 C601 V606 C607	R506-T599 HydrophobicContact CG-CG2 3.89Å; V595-T599 HydrophobicContact CG1-CG2 3.88Å; D596-T599 VanDerWaalsContact O-CB 3.24Å; D596-T599 WeakPolarHBondContact O-CB 3.46Å; D596-T599 PolarHBondContact O-N 3.48Å; D596-T599 PolarHBondContact O-OG1 2.85Å; E597-T599 PolarHBondContact O-N 3.34Å; T599-C601 PolarHBondContact O-N 3.03Å; T599-V606 CarbonylContact O-C 3.54Å; T599-V606 WeakPolarHBondContact O-CA 3.44Å; T599-C607 PolarHBondContact O-N 3.33Å
600	M	94.4	Very high	87.4	Confident	43 Å²	43	40.2 Å²	40.2	21%	0.212	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	121	179.6	-178.6	176.4	-174.3	0	0	111.9	Y497 R506 G598 G602	Y497-M600 HydrophobicContact CD2-CB 4.04Å; Y497-M600 HydrophobicContact CD2-CG 4.01Å; Y497-M600 HydrophobicContact CD2-SD 4.36Å; Y497-M600 HydrophobicContact CE2-CB 4.33Å; Y497-M600 HydrophobicContact CE2-CE 4.02Å; Y497-M600 HydrophobicContact CE2-CG 3.77Å; Y497-M600 HydrophobicContact CE2-SD 3.91Å; R506-M600 PolarHBondContact NH1-O 2.9Å; G598-M600 PolarHBondContact O-N 3.39Å; M600-G602 WeakPolarHBondContact CE-O 3Å; M600-G602 WeakPolarHBondContact CG-O 3.46Å
601	C	94.8	Very high	88.6	Confident	15 Å²	15	40.7 Å²	40.7	10%	0.101	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-9.4	177.4	64.7	0	0	0	0	113.1	L555 C556 T599 K605 V606 C612	L555-C601 HydrophobicContact CB-CB 4.21Å; C556-C601 VanDerWaalsContact SG-CB 3.51Å; T599-C601 PolarHBondContact O-N 3.03Å; C601-K605 PolarHBondContact N-O 2.97Å; C601-K605 VanDerWaalsContact SG-C 3.54Å; C601-V606 VanDerWaalsContact SG-C 3.51Å; C601-C612 HydrophobicContact CB-CB 3.85Å; C601-C612 WeakPolarHBondContact CB-SG 3.05Å; C601-C612 WeakPolarHBondContact SG-CA 3.26Å; C601-C612 WeakPolarHBondContact SG-CB 3.35Å; C601-C612 CovalentContact SG-SG 2.04Å; C601-C612 PolarHBondContact SG-SG 3.25Å
602	G	92.9	Very high	89.7	Confident	24 Å²	24	40.8 Å²	40.8	25%	0.247	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	174.1	173.1	0	0	0	0	0	110.7	M600 G604 K605	M600-G602 WeakPolarHBondContact CE-O 3Å; M600-G602 WeakPolarHBondContact CG-O 3.46Å; G602-G604 PolarHBondContact O-N 3.32Å; G602-K605 PolarHBondContact N-O 2.86Å; G602-K605 PolarHBondContact O-N 3.09Å; G602-K605 VanDerWaalsContact O-O 3.09Å
603	E	91.6	Very high	90.4	Very high	180 Å²	180	41.4 Å²	41.4	84%	0.841	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	123.9	171.2	-171.2	174.9	-174.3	0	0	109.9	K605	E603-K605 PolarHBondContact O-N 3.17Å
604	G	90.8	Very high	90.8	Very high	26 Å²	26	44.9 Å²	44.9	27%	0.268	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.3	-175	0	0	0	0	0	115.5	Y497 G602 D614 L615	Y497-G604 PolarHBondContact OH-N 2.86Å; G602-G604 PolarHBondContact O-N 3.32Å; G604-D614 WeakPolarHBondContact O-CA 3.45Å; G604-L615 WeakPolarHBondContact O-CG 3.22Å; G604-L615 PolarHBondContact O-N 3.41Å
605	K	93.9	Very high	90.6	Very high	67 Å²	67	44.2 Å²	44.2	29%	0.291	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.2	-172.5	-60.3	178.7	-173.6	-66.4	0	114.1	C601 G602 E603 M613 D614	C601-K605 PolarHBondContact N-O 2.97Å; C601-K605 VanDerWaalsContact SG-C 3.54Å; G602-K605 PolarHBondContact N-O 2.86Å; G602-K605 PolarHBondContact O-N 3.09Å; G602-K605 VanDerWaalsContact O-O 3.09Å; E603-K605 PolarHBondContact O-N 3.17Å; K605-M613 CarbonylContact C-O 3.6Å; K605-M613 VanDerWaalsContact CA-O 3.25Å; K605-M613 WeakPolarHBondContact CA-O 3.27Å; K605-D614 IonicContact NZ-OD1 2.85Å; K605-D614 PolarHBondContact NZ-OD1 3.23Å; K605-D614 IonicContact NZ-OD2 3.24Å; K605-D614 PolarHBondContact NZ-OD2 3.02Å
606	V	93.9	Very high	90	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.5	-178.4	-68	0	0	0	0	112.1	Y497 G598 T599 C601 S608 M613 L615 A618 Y619	Y497-V606 HydrophobicContact CD2-CG1 3.6Å; Y497-V606 HydrophobicContact CG-CG1 4.11Å; G598-V606 VanDerWaalsContact O-CG1 3.26Å; G598-V606 WeakPolarHBondContact O-CG1 3.38Å; T599-V606 CarbonylContact O-C 3.54Å; T599-V606 WeakPolarHBondContact O-CA 3.44Å; C601-V606 VanDerWaalsContact SG-C 3.51Å; V606-S608 PolarHBondContact O-N 2.41Å; V606-M613 PolarHBondContact N-O 2.79Å; V606-M613 PolarHBondContact O-N 3.02Å; V606-L615 HydrophobicContact CB-CD2 4.46Å; V606-L615 HydrophobicContact CG1-CD2 3.61Å; V606-L615 HydrophobicContact CG2-CD2 4.01Å; V606-A618 HydrophobicContact CG2-CB 3.57Å; V606-Y619 HydrophobicContact CG2-CE1 4.46Å; V606-Y619 HydrophobicContact CG2-CE2 4.1Å
607	C	93.6	Very high	89.7	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.2	171.1	-62.3	0	0	0	0	111.2	L555 C556 G598 T599 Q611	L555-C607 PolarHBondContact O-SG 3.01Å; C556-C607 WeakPolarHBondContact CA-SG 3.36Å; C556-C607 HydrophobicContact CB-CB 3.63Å; C556-C607 WeakPolarHBondContact CB-SG 2.99Å; C556-C607 WeakPolarHBondContact SG-CA 3.33Å; C556-C607 WeakPolarHBondContact SG-CB 3.03Å; C556-C607 CovalentContact SG-SG 2.04Å; C556-C607 PolarHBondContact SG-SG 3.11Å; G598-C607 PolarHBondContact N-O 2.82Å; T599-C607 PolarHBondContact O-N 3.33Å; C607-Q611 WeakPolarHBondContact CA-O 3.46Å
608	S	86.6	Confident	89.5	Confident	18 Å²	18	47.6 Å²	47.6	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.8	173.6	178.2	0	0	0	0	108.7	V606 N610 Q611	V606-S608 PolarHBondContact O-N 2.41Å; S608-N610 PolarHBondContact O-N 2.31Å; S608-N610 VanDerWaalsContact O-N 3.08Å; S608-Q611 PolarHBondContact N-O 3.35Å; S608-Q611 PolarHBondContact O-N 2.69Å
609	Q	83.3	Confident	89.1	Confident	128 Å²	128	49.3 Å²	49.3	60%	0.598	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	38	-176.8	-55	-175.1	-11.3	0	0	113.8	R539 E597 Q611	R539-Q609 PolarHBondContact NE-O 3.07Å; R539-Q609 PolarHBondContact NH2-O 3.15Å; E597-Q609 PolarHBondContact OE1-N 3.29Å; E597-Q609 VanDerWaalsContact OE1-N 3.08Å; Q609-Q611 VanDerWaalsContact C-N 3.32Å; Q609-Q611 PolarHBondContact O-N 2.85Å
610	N	88.4	Confident	87.7	Confident	30 Å²	30	60 Å²	60	16%	0.16	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	25.7	-174.7	-46	102.7	0	0	0	116.3	C538 R539 C556 Q594 S608	C538-N610 HydrophobicContact CB-CB 4.26Å; C538-N610 WeakPolarHBondContact O-CB 3.29Å; C538-N610 PolarHBondContact O-ND2 2.92Å; C538-N610 PolarHBondContact O-OD1 3.09Å; C538-N610 PolarHBondContact SG-O 2.75Å; R539-N610 HydrophobicContact CG-CB 4.26Å; C556-N610 WeakPolarHBondContact O-CA 3.42Å; C556-N610 WeakPolarHBondContact O-CB 3.33Å; C556-N610 PolarHBondContact O-ND2 3.23Å; Q594-N610 PolarHBondContact OE1-ND2 2.56Å; Q594-N610 PolarHBondContact OE1-OD1 3.35Å; S608-N610 PolarHBondContact O-N 2.31Å; S608-N610 VanDerWaalsContact O-N 3.08Å
611	Q	93.4	Very high	86	Confident	68 Å²	68	60.1 Å²	60.1	32%	0.318	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.8	173.1	-60.1	-166.2	-102.8	0	0	110.9	D553 C607 S608 Q609 M613	D553-Q611 VanDerWaalsContact OD1-CA 3.31Å; D553-Q611 WeakPolarHBondContact OD1-CA 3.34Å; C607-Q611 WeakPolarHBondContact CA-O 3.46Å; S608-Q611 PolarHBondContact N-O 3.35Å; S608-Q611 PolarHBondContact O-N 2.69Å; Q609-Q611 VanDerWaalsContact C-N 3.32Å; Q609-Q611 PolarHBondContact O-N 2.85Å; Q611-M613 HydrophobicContact CB-CG 3.96Å; Q611-M613 HydrophobicContact CB-SD 4.4Å; Q611-M613 PolarHBondContact O-N 2.84Å
612	C	95.8	Very high	84.1	Confident	18 Å²	18	62.5 Å²	62.5	12%	0.122	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	95.5	177.3	-176.1	0	0	0	0	109.8	Q552 D553 C601	Q552-C612 WeakPolarHBondContact O-CB 3.48Å; D553-C612 PolarHBondContact OD1-N 2.94Å; C601-C612 HydrophobicContact CB-CB 3.85Å; C601-C612 WeakPolarHBondContact CB-SG 3.05Å; C601-C612 WeakPolarHBondContact SG-CA 3.26Å; C601-C612 WeakPolarHBondContact SG-CB 3.35Å; C601-C612 CovalentContact SG-SG 2.04Å; C601-C612 PolarHBondContact SG-SG 3.25Å
613	M	93.1	Very high	82.6	Confident	58 Å²	58	66.5 Å²	66.5	29%	0.286	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.9	-169.4	-60.2	-173.9	75.7	0	0	111.7	K605 V606 Q611 A618	K605-M613 CarbonylContact C-O 3.6Å; K605-M613 VanDerWaalsContact CA-O 3.25Å; K605-M613 WeakPolarHBondContact CA-O 3.27Å; V606-M613 PolarHBondContact N-O 2.79Å; V606-M613 PolarHBondContact O-N 3.02Å; Q611-M613 HydrophobicContact CB-CG 3.96Å; Q611-M613 HydrophobicContact CB-SD 4.4Å; Q611-M613 PolarHBondContact O-N 2.84Å; M613-A618 HydrophobicContact CB-CB 4.27Å
614	D	91.3	Very high	81.5	Confident	74 Å²	74	58.2 Å²	58.2	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.6	170.3	-59.6	-88.4	0	0	0	111.3	G604 K605 E616 S617 A618	G604-D614 WeakPolarHBondContact O-CA 3.45Å; K605-D614 IonicContact NZ-OD1 2.85Å; K605-D614 PolarHBondContact NZ-OD1 3.23Å; K605-D614 IonicContact NZ-OD2 3.24Å; K605-D614 PolarHBondContact NZ-OD2 3.02Å; D614-E616 PolarHBondContact O-N 3.08Å; D614-E616 VanDerWaalsContact O-N 3.09Å; D614-S617 WeakPolarHBondContact O-CB 3.22Å; D614-S617 PolarHBondContact O-N 2.81Å; D614-A618 PolarHBondContact O-N 2.77Å
615	L	84.3	Confident	80.4	Confident	31 Å²	31	59.6 Å²	59.6	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-49.8	-38.8	-175.5	-75	167.8	0	0	0	113.7	Y497 G604 V606 A618 Y619	Y497-L615 HydrophobicContact CD1-CD1 3.98Å; Y497-L615 HydrophobicContact CD1-CD2 4.45Å; Y497-L615 HydrophobicContact CD2-CD2 4.33Å; Y497-L615 HydrophobicContact CE1-CD1 3.85Å; Y497-L615 HydrophobicContact CE2-CD1 4.42Å; Y497-L615 HydrophobicContact CG-CD1 4.35Å; Y497-L615 HydrophobicContact CG-CD2 4.11Å; G604-L615 WeakPolarHBondContact O-CG 3.22Å; G604-L615 PolarHBondContact O-N 3.41Å; V606-L615 HydrophobicContact CB-CD2 4.46Å; V606-L615 HydrophobicContact CG1-CD2 3.61Å; V606-L615 HydrophobicContact CG2-CD2 4.01Å; L615-A618 PolarHBondContact O-N 3.11Å; L615-Y619 HydrophobicContact CD2-CD2 3.88Å; L615-Y619 HydrophobicContact CD2-CE2 3.54Å; L615-Y619 PolarHBondContact O-N 3.46Å
616	E	80.3	Confident	79.2	Confident	122 Å²	122	60.3 Å²	60.3	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-60.8	-46.2	176.9	-52.2	-135.2	96.6	0	0	112.1	D614 R620 T622	D614-E616 PolarHBondContact O-N 3.08Å; D614-E616 VanDerWaalsContact O-N 3.09Å; E616-R620 VanDerWaalsContact O-CA 3.23Å; E616-R620 WeakPolarHBondContact O-CA 3.39Å; E616-R620 PolarHBondContact O-N 3.42Å; E616-T622 HydrophobicContact CB-CG2 4.42Å; E616-T622 HydrophobicContact CG-CG2 3.84Å; E616-T622 VanDerWaalsContact OE1-CB 3.24Å; E616-T622 WeakPolarHBondContact OE1-CB 3.5Å; E616-T622 VanDerWaalsContact OE1-CG2 3.3Å; E616-T622 WeakPolarHBondContact OE1-CG2 3.38Å; E616-T622 PolarHBondContact OE1-OG1 3.11Å
617	S	81.8	Confident	78.1	Confident	71 Å²	71	67.7 Å²	67.7	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-72.7	-36.3	-178.3	-62.4	0	0	0	0	112	D614	D614-S617 WeakPolarHBondContact O-CB 3.22Å; D614-S617 PolarHBondContact O-N 2.81Å
618	A	79	Confident	77.2	Confident	21 Å²	21	68.3 Å²	68.3	17%	0.174	36%	0.357	C	S	.	.	H	α-helix	trans	-71.2	-46.2	-179.8	0	0	0	0	0	112.7	V606 M613 D614 L615	V606-A618 HydrophobicContact CG2-CB 3.57Å; M613-A618 HydrophobicContact CB-CB 4.27Å; D614-A618 PolarHBondContact O-N 2.77Å; L615-A618 PolarHBondContact O-N 3.11Å
619	Y	74.6	Confident	76.5	Confident	36 Å²	36	70.3 Å²	70.3	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-111.8	-17.9	-169.9	-57.5	-38.7	0	0	0	115.1	N487 Y499 G598 V606 L615 N621	N487-Y619 HydrophobicContact CB-CD1 4.01Å; N487-Y619 HydrophobicContact CB-CD2 3.82Å; N487-Y619 HydrophobicContact CB-CE1 4.12Å; N487-Y619 HydrophobicContact CB-CE2 3.91Å; N487-Y619 HydrophobicContact CB-CG 3.86Å; Y499-Y619 AromaticContact CD2-CE1 3.53Å; Y499-Y619 HydrophobicContact CD2-CE1 3.53Å; Y499-Y619 AromaticContact CD2-CZ 3.84Å; Y499-Y619 HydrophobicContact CE2-CD1 4.45Å; Y499-Y619 AromaticContact CE2-CE1 3.68Å; Y499-Y619 HydrophobicContact CE2-CE1 3.68Å; G598-Y619 WeakPolarHBondContact CA-OH 3.44Å; V606-Y619 HydrophobicContact CG2-CE1 4.46Å; V606-Y619 HydrophobicContact CG2-CE2 4.1Å; L615-Y619 HydrophobicContact CD2-CD2 3.88Å; L615-Y619 HydrophobicContact CD2-CE2 3.54Å; L615-Y619 PolarHBondContact O-N 3.46Å; Y619-N621 PolarHBondContact O-N 3.45Å
620	R	64.6	Low	75.8	Confident	226 Å²	226	68 Å²	68	85%	0.853	38%	0.381	S	S	*	.			trans	57	7.2	-178.9	-53.2	-179.2	-178.8	-178.9	-0.3	116	E616	E616-R620 VanDerWaalsContact O-CA 3.23Å; E616-R620 WeakPolarHBondContact O-CA 3.39Å; E616-R620 PolarHBondContact O-N 3.42Å
621	N	57.3	Low	75.5	Confident	47 Å²	47	68.8 Å²	68.8	25%	0.251	39%	0.385	S	S	.	.			trans	-107.3	16.1	-167.8	-149.6	-2.8	0	0	0	114.9	V486 Y619 N623 C624 S638	V486-N621 HydrophobicContact CG2-CB 4.31Å; V486-N621 WeakPolarHBondContact CG2-ND2 3.34Å; Y619-N621 PolarHBondContact O-N 3.45Å; N621-N623 PolarHBondContact O-N 3.14Å; N621-N623 VanDerWaalsContact O-N 3.08Å; N621-C624 PolarHBondContact O-N 3.49Å; N621-C624 WeakPolarHBondContact OD1-CB 3.43Å; N621-S638 PolarHBondContact ND2-OG 2.91Å
622	T	55.7	Low	75	Confident	65 Å²	65	66.3 Å²	66.3	40%	0.399	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-19.7	-179.4	43.7	0	0	0	0	113.9	E616 C624	E616-T622 HydrophobicContact CB-CG2 4.42Å; E616-T622 HydrophobicContact CG-CG2 3.84Å; E616-T622 VanDerWaalsContact OE1-CB 3.24Å; E616-T622 WeakPolarHBondContact OE1-CB 3.5Å; E616-T622 VanDerWaalsContact OE1-CG2 3.3Å; E616-T622 WeakPolarHBondContact OE1-CG2 3.38Å; E616-T622 PolarHBondContact OE1-OG1 3.11Å; T622-C624 PolarHBondContact O-N 2.91Å
623	N	61.4	Low	74.5	Confident	107 Å²	107	67.7 Å²	67.7	57%	0.572	38%	0.384	S	S	*	.	H	α-helix	trans	-77.7	-7.4	174.6	-94.7	-62.4	0	0	0	115.3	N621 K627	N621-N623 PolarHBondContact O-N 3.14Å; N621-N623 VanDerWaalsContact O-N 3.08Å; N623-K627 WeakPolarHBondContact O-CD 3.23Å; N623-K627 WeakPolarHBondContact O-CE 3.03Å; N623-K627 WeakPolarHBondContact O-CG 3.35Å
624	C	68.1	Low	73.9	Confident	7 Å²	7	65 Å²	65	5%	0.047	37%	0.371	C	S	.	.	H	α-helix	trans	-77.6	-58.1	178.9	-175.6	0	0	0	0	112.2	N621 T622 A626 K627 C628 C634 S638	N621-C624 PolarHBondContact O-N 3.49Å; N621-C624 WeakPolarHBondContact OD1-CB 3.43Å; T622-C624 PolarHBondContact O-N 2.91Å; C624-A626 PolarHBondContact O-N 2.65Å; C624-A626 VanDerWaalsContact O-N 3.13Å; C624-K627 WeakPolarHBondContact O-CB 3.33Å; C624-K627 PolarHBondContact O-N 3.46Å; C624-C628 PolarHBondContact O-N 2.81Å; C624-C634 HydrophobicContact CB-CB 3.99Å; C624-C634 WeakPolarHBondContact CB-SG 3.28Å; C624-C634 WeakPolarHBondContact SG-CB 3.27Å; C624-C634 CovalentContact SG-SG 2.02Å; C624-C634 PolarHBondContact SG-SG 3.35Å; C624-S638 VanDerWaalsContact SG-C 3.55Å; C624-S638 VanDerWaalsContact SG-CA 3.55Å
625	S	67.6	Low	73.3	Confident	55 Å²	55	61.8 Å²	61.8	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-28.2	179.8	-52.5	0	0	0	0	112.9	K627	S625-K627 VanDerWaalsContact C-N 3.34Å
626	A	68.8	Low	72.7	Confident	81 Å²	81	63 Å²	63	67%	0.669	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.7	174.2	0	0	0	0	0	114.5	C624	C624-A626 PolarHBondContact O-N 2.65Å; C624-A626 VanDerWaalsContact O-N 3.13Å
627	K	70.4	Confident	72.4	Confident	156 Å²	156	62.7 Å²	62.7	68%	0.678	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.2	174.3	-71.4	167.5	-170.3	172.4	0	112.8	N623 C624 S625 P629	N623-K627 WeakPolarHBondContact O-CD 3.23Å; N623-K627 WeakPolarHBondContact O-CE 3.03Å; N623-K627 WeakPolarHBondContact O-CG 3.35Å; C624-K627 WeakPolarHBondContact O-CB 3.33Å; C624-K627 PolarHBondContact O-N 3.46Å; S625-K627 VanDerWaalsContact C-N 3.34Å; K627-P629 WeakPolarHBondContact O-CD 3.24Å
628	C	74.8	Confident	72	Confident	15 Å²	15	62 Å²	62	10%	0.101	35%	0.348	C	S	.	.	S	Bend	trans	-77	117.5	175.3	-58.7	0	0	0	0	109.6	C624 A632 C640	C624-C628 PolarHBondContact O-N 2.81Å; C628-A632 HydrophobicContact CB-CB 4.09Å; C628-C640 WeakPolarHBondContact CA-SG 3.44Å; C628-C640 HydrophobicContact CB-CB 3.88Å; C628-C640 WeakPolarHBondContact CB-SG 3.44Å; C628-C640 VanDerWaalsContact SG-CA 3.54Å; C628-C640 WeakPolarHBondContact SG-CB 3.34Å; C628-C640 CovalentContact SG-SG 2.05Å; C628-C640 PolarHBondContact SG-SG 3.21Å
629	P	72.7	Confident	72.1	Confident	60 Å²	60	66 Å²	66	39%	0.39	36%	0.363	S	S	.	.			trans	-66.6	158.3	173.9	27.9	-31.7	0	0	0	110	K627 N631 A632 N650	K627-P629 WeakPolarHBondContact O-CD 3.24Å; P629-N631 PolarHBondContact O-N 2.84Å; P629-A632 WeakPolarHBondContact O-CB 3.44Å; P629-A632 PolarHBondContact O-N 2.91Å; P629-N650 WeakPolarHBondContact CG-O 3.48Å
630	G	69.1	Low	72.5	Confident	80 Å²	80	66.1 Å²	66.1	83%	0.825	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	6.2	-164.7	0	0	0	0	0	118.7
631	N	81.5	Confident	73.5	Confident	46 Å²	46	57 Å²	57	25%	0.246	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	22.2	169.6	-51	-53.5	0	0	0	112.3	P629 L643 W646 C651	P629-N631 PolarHBondContact O-N 2.84Å; N631-L643 WeakPolarHBondContact O-CB 3.36Å; N631-L643 WeakPolarHBondContact O-CG 3.28Å; N631-L643 PolarHBondContact O-N 3.14Å; N631-W646 HydrophobicContact CB-CB 4.38Å; N631-W646 HydrophobicContact CB-CD2 3.68Å; N631-W646 HydrophobicContact CB-CE3 4.26Å; N631-W646 HydrophobicContact CB-CG 3.71Å; N631-W646 HydrophobicContact CB-CZ2 4.4Å; N631-W646 VanDerWaalsContact CG-CZ2 3.46Å; N631-W646 VanDerWaalsContact ND2-CH2 3.28Å; N631-W646 WeakPolarHBondContact ND2-CH2 3.37Å; N631-W646 WeakPolarHBondContact ND2-CZ2 3.26Å; N631-W646 VanDerWaalsContact ND2-CZ3 3.3Å; N631-W646 WeakPolarHBondContact ND2-CZ3 3.48Å; N631-W646 WeakPolarHBondContact OD1-CZ2 3.41Å; N631-C651 HydrophobicContact CB-CB 4.43Å; N631-C651 PolarHBondContact ND2-O 3.01Å
632	A	83.7	Confident	74.8	Confident	16 Å²	16	55.6 Å²	55.6	13%	0.132	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156	-175.2	0	0	0	0	0	112.8	C628 P629 C640 Q641 C651	C628-A632 HydrophobicContact CB-CB 4.09Å; P629-A632 WeakPolarHBondContact O-CB 3.44Å; P629-A632 PolarHBondContact O-N 2.91Å; A632-C640 HydrophobicContact CB-CB 4.11Å; A632-Q641 CarbonylContact C-O 3.5Å; A632-Q641 WeakPolarHBondContact CA-O 3.39Å; A632-Q641 WeakPolarHBondContact CB-O 3.41Å; A632-C651 HydrophobicContact CB-CB 3.93Å; A632-C651 VanDerWaalsContact CB-SG 3.53Å
633	V	84.1	Confident	76.1	Confident	47 Å²	47	56 Å²	56	29%	0.285	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.4	176.3	-174.7	0	0	0	0	109.4	L468 Q641 L643	L468-V633 HydrophobicContact CD1-CG1 4.37Å; L468-V633 HydrophobicContact CD2-CB 4.4Å; L468-V633 HydrophobicContact CD2-CG1 3.74Å; V633-Q641 PolarHBondContact N-O 3.17Å; V633-Q641 PolarHBondContact O-N 2.79Å; V633-L643 HydrophobicContact CG2-CD2 4.19Å
634	C	81.8	Confident	77	Confident	2 Å²	2	53 Å²	53	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124	173.6	177	0	0	0	0	111	V486 C624 E639	V486-C634 HydrophobicContact CB-CB 4.25Å; V486-C634 HydrophobicContact CG1-CB 3.86Å; V486-C634 PolarHBondContact N-O 3.24Å; C624-C634 HydrophobicContact CB-CB 3.99Å; C624-C634 WeakPolarHBondContact CB-SG 3.28Å; C624-C634 WeakPolarHBondContact SG-CB 3.27Å; C624-C634 CovalentContact SG-SG 2.02Å; C624-C634 PolarHBondContact SG-SG 3.35Å; C634-E639 WeakPolarHBondContact CA-O 3.23Å
635	N	78.4	Confident	77.4	Confident	7 Å²	7	53 Å²	53	4%	0.037	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-84.5	172.4	172.4	76.3	7.5	0	0	0	111.8	L468 V483 R637 S638 E639	L468-N635 HydrophobicContact CD1-CB 3.93Å; V483-N635 HydrophobicContact CB-CB 4.22Å; N635-R637 PolarHBondContact O-N 2.79Å; N635-R637 WeakPolarHBondContact OD1-CA 3.28Å; N635-R637 WeakPolarHBondContact OD1-CB 3.44Å; N635-R637 PolarHBondContact OD1-N 2.84Å; N635-S638 PolarHBondContact O-N 2.85Å; N635-S638 PolarHBondContact OD1-N 2.81Å; N635-S638 VanDerWaalsContact OD1-N 3.16Å; N635-E639 PolarHBondContact N-O 2.97Å; N635-E639 PolarHBondContact ND2-OE2 2.93Å; N635-E639 WeakPolarHBondContact OD1-CB 3.27Å; N635-E639 PolarHBondContact OD1-N 2.94Å; N635-E639 PolarHBondContact OD1-O 2.99Å
636	H	71.7	Confident	78.2	Confident	57 Å²	57	53.1 Å²	53.1	26%	0.264	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.4	177.2	69.4	-95.8	0	0	0	115.3	F484 S638	F484-H636 AromaticContact CD1-CE1 3.85Å; F484-H636 AromaticContact CD1-ND1 3.51Å; F484-H636 HydrophobicContact CD2-CB 3.55Å; F484-H636 AromaticContact CD2-CG 3.89Å; F484-H636 AromaticContact CD2-ND1 3.84Å; F484-H636 HydrophobicContact CE1-CB 4.34Å; F484-H636 AromaticContact CE1-CE1 3.66Å; F484-H636 AromaticContact CE1-CG 3.74Å; F484-H636 AromaticContact CE1-ND1 3.51Å; F484-H636 HydrophobicContact CE2-CB 3.15Å; F484-H636 AromaticContact CE2-CG 3.51Å; F484-H636 AromaticContact CE2-ND1 3.85Å; F484-H636 HydrophobicContact CG-CB 4.31Å; F484-H636 AromaticContact CG-ND1 3.68Å; F484-H636 HydrophobicContact CZ-CB 3.6Å; F484-H636 AromaticContact CZ-CD2 3.77Å; F484-H636 AromaticContact CZ-CG 3.42Å; F484-H636 VanDerWaalsContact CZ-CG 3.42Å; F484-H636 AromaticContact CZ-ND1 3.69Å; F484-H636 PolarHBondContact N-ND1 3.25Å; F484-H636 PolarHBondContact O-N 2.93Å; F484-H636 PolarHBondContact O-ND1 3.32Å; H636-S638 PolarHBondContact O-N 3.18Å
637	R	72.7	Confident	78.6	Confident	114 Å²	114	51.5 Å²	51.5	43%	0.43	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.1	176	-52.2	-176.4	-179.4	-172.6	0.4	112.1	E481 N635 E639	E481-R637 IonicContact OE2-CZ 3.83Å; E481-R637 IonicContact OE2-NH1 2.95Å; E481-R637 PolarHBondContact OE2-NH1 3.19Å; E481-R637 IonicContact OE2-NH2 2.69Å; E481-R637 PolarHBondContact OE2-NH2 3.01Å; N635-R637 PolarHBondContact O-N 2.79Å; N635-R637 WeakPolarHBondContact OD1-CA 3.28Å; N635-R637 WeakPolarHBondContact OD1-CB 3.44Å; N635-R637 PolarHBondContact OD1-N 2.84Å; R637-E639 VanDerWaalsContact C-N 3.34Å; R637-E639 HydrophobicContact CB-CG 3.94Å; R637-E639 WeakPolarHBondContact CB-OE2 3.44Å
638	S	73.9	Confident	78.8	Confident	58 Å²	58	47.7 Å²	47.7	41%	0.406	28%	0.279	S	S	.	.	S	Bend	trans	67.4	31.4	-173.9	-46.9	0	0	0	0	113.7	N621 C624 N635 H636	N621-S638 PolarHBondContact ND2-OG 2.91Å; C624-S638 VanDerWaalsContact SG-C 3.55Å; C624-S638 VanDerWaalsContact SG-CA 3.55Å; N635-S638 PolarHBondContact O-N 2.85Å; N635-S638 PolarHBondContact OD1-N 2.81Å; N635-S638 VanDerWaalsContact OD1-N 3.16Å; H636-S638 PolarHBondContact O-N 3.18Å
639	E	80.8	Confident	78.6	Confident	105 Å²	105	52.5 Å²	52.5	49%	0.491	31%	0.31	S	S	.	.			trans	-107.6	151.7	177	-52.2	166.2	135.8	0	0	110.3	C634 N635 R637	C634-E639 WeakPolarHBondContact CA-O 3.23Å; N635-E639 PolarHBondContact N-O 2.97Å; N635-E639 PolarHBondContact ND2-OE2 2.93Å; N635-E639 WeakPolarHBondContact OD1-CB 3.27Å; N635-E639 PolarHBondContact OD1-N 2.94Å; N635-E639 PolarHBondContact OD1-O 2.99Å; R637-E639 VanDerWaalsContact C-N 3.34Å; R637-E639 HydrophobicContact CB-CG 3.94Å; R637-E639 WeakPolarHBondContact CB-OE2 3.44Å
640	C	84.1	Confident	78.5	Confident	37 Å²	37	54.5 Å²	54.5	25%	0.25	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.5	179.1	-60.3	0	0	0	0	111.1	C628 A632	C628-C640 WeakPolarHBondContact CA-SG 3.44Å; C628-C640 HydrophobicContact CB-CB 3.88Å; C628-C640 WeakPolarHBondContact CB-SG 3.44Å; C628-C640 VanDerWaalsContact SG-CA 3.54Å; C628-C640 WeakPolarHBondContact SG-CB 3.34Å; C628-C640 CovalentContact SG-SG 2.05Å; C628-C640 PolarHBondContact SG-SG 3.21Å; A632-C640 HydrophobicContact CB-CB 4.11Å
641	Q	85.3	Confident	79.1	Confident	36 Å²	36	50.7 Å²	50.7	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.3	173.8	-178.7	169.9	-5.2	0	0	109.7	A469 A632 V633	A469-Q641 PolarHBondContact O-NE2 3.21Å; A632-Q641 CarbonylContact C-O 3.5Å; A632-Q641 WeakPolarHBondContact CA-O 3.39Å; A632-Q641 WeakPolarHBondContact CB-O 3.41Å; V633-Q641 PolarHBondContact N-O 3.17Å; V633-Q641 PolarHBondContact O-N 2.79Å
642	C	85	Confident	78.9	Confident	16 Å²	16	51 Å²	51	11%	0.108	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.1	180	-54.2	0	0	0	0	112.1	W646 L647 P648 C651	C642-W646 HydrophobicContact CB-CB 4.11Å; C642-W646 WeakPolarHBondContact CB-O 3.49Å; C642-L647 VanDerWaalsContact SG-C 3.54Å; C642-P648 VanDerWaalsContact SG-CA 3.55Å; C642-P648 VanDerWaalsContact SG-N 3.43Å; C642-C651 WeakPolarHBondContact CA-SG 3.38Å; C642-C651 HydrophobicContact CB-CB 3.77Å; C642-C651 WeakPolarHBondContact CB-SG 3.08Å; C642-C651 VanDerWaalsContact SG-CA 3.52Å; C642-C651 WeakPolarHBondContact SG-CB 3.43Å; C642-C651 CovalentContact SG-SG 2.03Å; C642-C651 PolarHBondContact SG-SG 3.23Å
643	L	82	Confident	78.7	Confident	74 Å²	74	52.6 Å²	52.6	39%	0.387	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-67.9	158	167.6	-64.5	179.6	0	0	0	110.8	N631 V633 G645 W646	N631-L643 WeakPolarHBondContact O-CB 3.36Å; N631-L643 WeakPolarHBondContact O-CG 3.28Å; N631-L643 PolarHBondContact O-N 3.14Å; V633-L643 HydrophobicContact CG2-CD2 4.19Å; L643-G645 PolarHBondContact O-N 2.77Å; L643-W646 PolarHBondContact O-N 2.76Å
644	P	79.7	Confident	78.4	Confident	44 Å²	44	56.6 Å²	56.6	29%	0.286	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	134	179.6	-29.7	36.6	0	0	0	113.6	Y471 F658	Y471-P644 HydrophobicContact CD1-CG 4.21Å; Y471-P644 HydrophobicContact CE1-CG 3.57Å; Y471-P644 HydrophobicContact CE2-CG 4.01Å; Y471-P644 VanDerWaalsContact CZ-CG 3.45Å; P644-F658 HydrophobicContact CB-CE1 3.87Å; P644-F658 HydrophobicContact CB-CE2 3.95Å; P644-F658 HydrophobicContact CB-CZ 3.42Å; P644-F658 VanDerWaalsContact CB-CZ 3.42Å
645	G	78.1	Confident	78.2	Confident	8 Å²	8	57.6 Å²	57.6	8%	0.082	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	15.6	-177.8	0	0	0	0	0	115.2	S456 L643 K654 D655 F658	S456-G645 PolarHBondContact OG-N 3.09Å; S456-G645 VanDerWaalsContact OG-N 3.12Å; L643-G645 PolarHBondContact O-N 2.77Å; G645-K654 CarbonylContact O-C 3.57Å; G645-K654 VanDerWaalsContact O-CA 3.28Å; G645-K654 WeakPolarHBondContact O-CA 3.22Å; G645-D655 PolarHBondContact O-N 3.34Å; G645-F658 VanDerWaalsContact CA-CD1 3.44Å
646	W	84.1	Confident	77.7	Confident	56 Å²	56	63.3 Å²	63.3	21%	0.212	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-127.9	142.6	174	-62.2	90.2	0	0	0	112.1	N631 C642 L643 C651 A653 K654	N631-W646 HydrophobicContact CB-CB 4.38Å; N631-W646 HydrophobicContact CB-CD2 3.68Å; N631-W646 HydrophobicContact CB-CE3 4.26Å; N631-W646 HydrophobicContact CB-CG 3.71Å; N631-W646 HydrophobicContact CB-CZ2 4.4Å; N631-W646 VanDerWaalsContact CG-CZ2 3.46Å; N631-W646 VanDerWaalsContact ND2-CH2 3.28Å; N631-W646 WeakPolarHBondContact ND2-CH2 3.37Å; N631-W646 WeakPolarHBondContact ND2-CZ2 3.26Å; N631-W646 VanDerWaalsContact ND2-CZ3 3.3Å; N631-W646 WeakPolarHBondContact ND2-CZ3 3.48Å; N631-W646 WeakPolarHBondContact OD1-CZ2 3.41Å; C642-W646 HydrophobicContact CB-CB 4.11Å; C642-W646 WeakPolarHBondContact CB-O 3.49Å; L643-W646 PolarHBondContact O-N 2.76Å; W646-C651 HydrophobicContact CB-CB 4.32Å; W646-C651 VanDerWaalsContact CE3-O 3.24Å; W646-A653 WeakPolarHBondContact CA-O 3.27Å; W646-K654 HydrophobicContact CD2-CG 4.19Å; W646-K654 HydrophobicContact CE3-CG 3.88Å; W646-K654 HydrophobicContact CH2-CD 4.37Å; W646-K654 HydrophobicContact CH2-CG 3.79Å; W646-K654 HydrophobicContact CZ2-CG 4.09Å; W646-K654 HydrophobicContact CZ3-CG 3.67Å
647	L	77.2	Confident	77.4	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.246	37%	0.367	C	S	.	.			trans	-94.9	131.1	-170.1	-68.1	172.2	0	0	0	113.2	C642 C651 A653 K654 D655	C642-L647 VanDerWaalsContact SG-C 3.54Å; L647-C651 VanDerWaalsContact O-CA 3.22Å; L647-C651 WeakPolarHBondContact O-CA 3.45Å; L647-C651 PolarHBondContact O-N 2.93Å; L647-A653 HydrophobicContact CB-CB 4.45Å; L647-A653 HydrophobicContact CD1-CB 4.23Å; L647-A653 PolarHBondContact N-O 3.24Å; L647-K654 VanDerWaalsContact CD1-O 3.31Å; L647-K654 WeakPolarHBondContact CD1-O 3.41Å; L647-D655 HydrophobicContact CD2-CB 3.84Å; L647-D655 WeakPolarHBondContact CD2-OD2 3.42Å; L647-D655 HydrophobicContact CG-CB 4.05Å
648	P	74.7	Confident	76.8	Confident	76 Å²	76	62.9 Å²	62.9	49%	0.494	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	159.2	171.4	29.9	-34.9	0	0	0	111.6	C642	C642-P648 VanDerWaalsContact SG-CA 3.55Å; C642-P648 VanDerWaalsContact SG-N 3.43Å
649	P	69.3	Low	75.8	Confident	116 Å²	116	64.6 Å²	64.6	75%	0.753	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.5	-8.7	8.6	35.9	-36.8	0	0	0	114.8
650	N	72.1	Confident	74.2	Confident	103 Å²	103	63.6 Å²	63.6	55%	0.551	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-2.1	-171.4	70.8	-5.3	0	0	0	114.5	P629 G652	P629-N650 WeakPolarHBondContact CG-O 3.48Å; N650-G652 PolarHBondContact O-N 3.32Å; N650-G652 PolarHBondContact OD1-N 3.2Å
651	C	81.6	Confident	72.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	54.3	24.4	174.2	-40.6	0	0	0	0	114.4	N631 A632 C642 W646 L647	N631-C651 HydrophobicContact CB-CB 4.43Å; N631-C651 PolarHBondContact ND2-O 3.01Å; A632-C651 HydrophobicContact CB-CB 3.93Å; A632-C651 VanDerWaalsContact CB-SG 3.53Å; C642-C651 WeakPolarHBondContact CA-SG 3.38Å; C642-C651 HydrophobicContact CB-CB 3.77Å; C642-C651 WeakPolarHBondContact CB-SG 3.08Å; C642-C651 VanDerWaalsContact SG-CA 3.52Å; C642-C651 WeakPolarHBondContact SG-CB 3.43Å; C642-C651 CovalentContact SG-SG 2.03Å; C642-C651 PolarHBondContact SG-SG 3.23Å; W646-C651 HydrophobicContact CB-CB 4.32Å; W646-C651 VanDerWaalsContact CE3-O 3.24Å; L647-C651 VanDerWaalsContact O-CA 3.22Å; L647-C651 WeakPolarHBondContact O-CA 3.45Å; L647-C651 PolarHBondContact O-N 2.93Å
652	G	76.2	Confident	71.3	Confident	53 Å²	53	68.7 Å²	68.7	55%	0.546	42%	0.415	S	S	.	.			trans	-97.5	-18.7	-178.7	0	0	0	0	0	114.1	N650	N650-G652 PolarHBondContact O-N 3.32Å; N650-G652 PolarHBondContact OD1-N 3.2Å
653	A	80.3	Confident	70.1	Confident	49 Å²	49	73 Å²	73	41%	0.405	44%	0.442	S	S	.	.	S	Bend	trans	-102.6	143.5	172	0	0	0	0	0	110.2	W646 L647	W646-A653 WeakPolarHBondContact CA-O 3.27Å; L647-A653 HydrophobicContact CB-CB 4.45Å; L647-A653 HydrophobicContact CD1-CB 4.23Å; L647-A653 PolarHBondContact N-O 3.24Å
654	K	78.4	Confident	69	Low	131 Å²	131	71.8 Å²	71.8	57%	0.57	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-78.7	152.9	173	-71.7	-171.6	174.2	-173.6	0	111.1	G645 W646 L647	G645-K654 CarbonylContact O-C 3.57Å; G645-K654 VanDerWaalsContact O-CA 3.28Å; G645-K654 WeakPolarHBondContact O-CA 3.22Å; W646-K654 HydrophobicContact CD2-CG 4.19Å; W646-K654 HydrophobicContact CE3-CG 3.88Å; W646-K654 HydrophobicContact CH2-CD 4.37Å; W646-K654 HydrophobicContact CH2-CG 3.79Å; W646-K654 HydrophobicContact CZ2-CG 4.09Å; W646-K654 HydrophobicContact CZ3-CG 3.67Å; L647-K654 VanDerWaalsContact CD1-O 3.31Å; L647-K654 WeakPolarHBondContact CD1-O 3.41Å
655	D	77.4	Confident	68.2	Low	22 Å²	22	71.2 Å²	71.2	12%	0.118	45%	0.446	C	S	.	.			trans	-91.5	101.5	165.7	-164.7	-30.8	0	0	0	108.9	R455 G645 L647 A657 F658	R455-D655 WeakPolarHBondContact CB-OD2 3.27Å; R455-D655 WeakPolarHBondContact CD-OD2 3.22Å; G645-D655 PolarHBondContact O-N 3.34Å; L647-D655 HydrophobicContact CD2-CB 3.84Å; L647-D655 WeakPolarHBondContact CD2-OD2 3.42Å; L647-D655 HydrophobicContact CG-CB 4.05Å; D655-A657 PolarHBondContact O-N 2.83Å; D655-A657 WeakPolarHBondContact OD1-CB 3.49Å; D655-A657 PolarHBondContact OD1-N 3.22Å; D655-A657 VanDerWaalsContact OD1-N 3.07Å; D655-F658 HydrophobicContact CB-CB 4.31Å; D655-F658 WeakPolarHBondContact O-CB 3.47Å; D655-F658 PolarHBondContact O-N 2.68Å; D655-F658 VanDerWaalsContact O-N 3.17Å
656	D	67.8	Low	67.7	Low	127 Å²	127	75 Å²	75	68%	0.679	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.5	-178.6	-66.2	-42.9	0	0	0	112.2	F658 S659	D656-F658 VanDerWaalsContact C-N 3.27Å; D656-F658 PolarHBondContact O-N 2.64Å; D656-S659 PolarHBondContact O-N 3.37Å; D656-S659 VanDerWaalsContact O-N 3.1Å; D656-S659 PolarHBondContact O-OG 3.07Å
657	A	64.1	Low	67.3	Low	64 Å²	64	76.8 Å²	76.8	53%	0.529	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-69.2	-25.1	178.7	0	0	0	0	0	112.7	D655 S659 S660	D655-A657 PolarHBondContact O-N 2.83Å; D655-A657 WeakPolarHBondContact OD1-CB 3.49Å; D655-A657 PolarHBondContact OD1-N 3.22Å; D655-A657 VanDerWaalsContact OD1-N 3.07Å; A657-S659 PolarHBondContact O-N 2.81Å; A657-S660 PolarHBondContact O-OG 2.96Å
658	F	61.9	Low	67.1	Low	99 Å²	99	77.2 Å²	77.2	43%	0.434	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-69.1	-16.6	173	-171.4	-107.2	0	0	0	112.8	S456 P644 G645 D655 D656	S456-F658 VanDerWaalsContact CB-CD2 3.44Å; S456-F658 WeakPolarHBondContact O-CE2 3.32Å; P644-F658 HydrophobicContact CB-CE1 3.87Å; P644-F658 HydrophobicContact CB-CE2 3.95Å; P644-F658 HydrophobicContact CB-CZ 3.42Å; P644-F658 VanDerWaalsContact CB-CZ 3.42Å; G645-F658 VanDerWaalsContact CA-CD1 3.44Å; D655-F658 HydrophobicContact CB-CB 4.31Å; D655-F658 WeakPolarHBondContact O-CB 3.47Å; D655-F658 PolarHBondContact O-N 2.68Å; D655-F658 VanDerWaalsContact O-N 3.17Å; D656-F658 VanDerWaalsContact C-N 3.27Å; D656-F658 PolarHBondContact O-N 2.64Å
659	S	52.7	Low	67.3	Low	94 Å²	94	78.1 Å²	78.1	66%	0.657	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-15.1	-175.1	76.2	0	0	0	0	115	D656 A657 L661	D656-S659 PolarHBondContact O-N 3.37Å; D656-S659 VanDerWaalsContact O-N 3.1Å; D656-S659 PolarHBondContact O-OG 3.07Å; A657-S659 PolarHBondContact O-N 2.81Å; S659-L661 PolarHBondContact O-N 2.72Å
660	S	46.8	Very low	67.8	Low	84 Å²	84	75.5 Å²	75.5	59%	0.587	47%	0.47	S	S	*	.			trans	-83.7	94.6	-178	62.2	0	0	0	0	112.4	A657 S662	A657-S660 PolarHBondContact O-OG 2.96Å; S660-S662 PolarHBondContact O-N 2.84Å
661	L	52.6	Low	68.5	Low	102 Å²	102	75.2 Å²	75.2	53%	0.534	47%	0.468	S	S	.	.			trans	-50.2	129	144.5	-116.7	73.6	0	0	0	107.1	S659 T663 A665 I666 I669	S659-L661 PolarHBondContact O-N 2.72Å; L661-T663 PolarHBondContact O-N 2.76Å; L661-A665 HydrophobicContact CD2-CB 4.41Å; L661-A665 HydrophobicContact CG-CB 4.36Å; L661-I666 HydrophobicContact CB-CD1 4.25Å; L661-I666 HydrophobicContact CB-CG1 3.81Å; L661-I666 HydrophobicContact CD2-CG1 4.42Å; L661-I669 HydrophobicContact CD2-CD1 3.7Å
662	S	56.1	Low	68.7	Low	77 Å²	77	77.7 Å²	77.7	54%	0.538	49%	0.488	S	S	.	.			trans	-57.2	145.5	-177.4	79.1	0	0	0	0	110.3	S660 G664 A665 I666	S660-S662 PolarHBondContact O-N 2.84Å; S662-G664 PolarHBondContact O-N 3.49Å; S662-A665 WeakPolarHBondContact O-CA 3.47Å; S662-A665 WeakPolarHBondContact O-CB 3.43Å; S662-A665 PolarHBondContact O-N 2.86Å; S662-A665 PolarHBondContact OG-N 3.3Å; S662-I666 PolarHBondContact O-N 3.47Å
663	T	58.5	Low	69.3	Low	108 Å²	108	79 Å²	79	66%	0.663	49%	0.485	S	S	*	.	H	α-helix	trans	-55.6	-33.2	-176.8	-39.5	0	0	0	0	111.7	L661 I666 I667	L661-T663 PolarHBondContact O-N 2.76Å; T663-I666 PolarHBondContact O-N 2.92Å; T663-I667 HydrophobicContact CG2-CD1 4.19Å; T663-I667 WeakPolarHBondContact O-CB 3.42Å; T663-I667 WeakPolarHBondContact O-CD1 3.35Å; T663-I667 WeakPolarHBondContact O-CG1 3.33Å; T663-I667 PolarHBondContact O-N 2.92Å
664	G	59.9	Low	69.8	Low	47 Å²	47	80.9 Å²	80.9	49%	0.485	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-38.8	171.6	0	0	0	0	0	114.2	S662 I667 A668	S662-G664 PolarHBondContact O-N 3.49Å; G664-I667 PolarHBondContact O-N 3.19Å; G664-A668 VanDerWaalsContact O-CB 3.26Å; G664-A668 WeakPolarHBondContact O-CB 3.32Å; G664-A668 PolarHBondContact O-N 2.69Å
665	A	61.7	Low	70.3	Confident	33 Å²	33	80.4 Å²	80.4	27%	0.273	49%	0.491	S	S	.	.	H	α-helix	trans	-66.7	-41.5	174.2	0	0	0	0	0	112.1	L661 S662 A668 I669	L661-A665 HydrophobicContact CD2-CB 4.41Å; L661-A665 HydrophobicContact CG-CB 4.36Å; S662-A665 WeakPolarHBondContact O-CA 3.47Å; S662-A665 WeakPolarHBondContact O-CB 3.43Å; S662-A665 PolarHBondContact O-N 2.86Å; S662-A665 PolarHBondContact OG-N 3.3Å; A665-A668 PolarHBondContact O-N 2.65Å; A665-I669 WeakPolarHBondContact O-CB 3.46Å; A665-I669 VanDerWaalsContact O-CG1 3.29Å; A665-I669 WeakPolarHBondContact O-CG1 3.48Å; A665-I669 PolarHBondContact O-N 3.18Å
666	I	69.3	Low	70.9	Confident	87 Å²	87	83.8 Å²	83.8	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-48.3	174.7	-57.5	179.3	0	0	0	110	L661 S662 T663 A668 I669 S670	L661-I666 HydrophobicContact CB-CD1 4.25Å; L661-I666 HydrophobicContact CB-CG1 3.81Å; L661-I666 HydrophobicContact CD2-CG1 4.42Å; S662-I666 PolarHBondContact O-N 3.47Å; T663-I666 PolarHBondContact O-N 2.92Å; I666-A668 PolarHBondContact O-N 2.9Å; I666-I669 PolarHBondContact O-N 3.46Å; I666-S670 WeakPolarHBondContact O-CB 3.41Å; I666-S670 PolarHBondContact O-N 3.02Å; I666-S670 PolarHBondContact O-OG 2.81Å; I666-S670 VanDerWaalsContact O-OG 3.09Å
667	I	74.1	Confident	72	Confident	94 Å²	94	82.3 Å²	82.3	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.6	-70.7	164.9	0	0	0	111.2	T663 G664 S670 L671	T663-I667 HydrophobicContact CG2-CD1 4.19Å; T663-I667 WeakPolarHBondContact O-CB 3.42Å; T663-I667 WeakPolarHBondContact O-CD1 3.35Å; T663-I667 WeakPolarHBondContact O-CG1 3.33Å; T663-I667 PolarHBondContact O-N 2.92Å; G664-I667 PolarHBondContact O-N 3.19Å; I667-S670 PolarHBondContact O-N 2.73Å; I667-L671 HydrophobicContact CG2-CD1 3.75Å; I667-L671 HydrophobicContact CG2-CG 4.3Å; I667-L671 WeakPolarHBondContact O-CB 3.41Å; I667-L671 VanDerWaalsContact O-CG 3.29Å; I667-L671 WeakPolarHBondContact O-CG 3.46Å; I667-L671 PolarHBondContact O-N 2.88Å
668	A	72.8	Confident	73.2	Confident	55 Å²	55	83 Å²	83	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-43.6	179.5	0	0	0	0	0	112.4	G664 A665 I666 L671 A672	G664-A668 VanDerWaalsContact O-CB 3.26Å; G664-A668 WeakPolarHBondContact O-CB 3.32Å; G664-A668 PolarHBondContact O-N 2.69Å; A665-A668 PolarHBondContact O-N 2.65Å; I666-A668 PolarHBondContact O-N 2.9Å; A668-L671 PolarHBondContact O-N 3.04Å; A668-A672 WeakPolarHBondContact O-CB 3.32Å; A668-A672 PolarHBondContact O-N 3.46Å
669	I	80.7	Confident	74.4	Confident	96 Å²	96	80.5 Å²	80.5	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-44.9	175.8	-68.1	165.9	0	0	0	110.4	L661 A665 I666 L671 A672 V673	L661-I669 HydrophobicContact CD2-CD1 3.7Å; A665-I669 WeakPolarHBondContact O-CB 3.46Å; A665-I669 VanDerWaalsContact O-CG1 3.29Å; A665-I669 WeakPolarHBondContact O-CG1 3.48Å; A665-I669 PolarHBondContact O-N 3.18Å; I666-I669 PolarHBondContact O-N 3.46Å; I669-L671 PolarHBondContact O-N 3.34Å; I669-A672 PolarHBondContact O-N 2.8Å; I669-V673 HydrophobicContact CG2-CG2 4.47Å; I669-V673 WeakPolarHBondContact O-CB 3.46Å; I669-V673 WeakPolarHBondContact O-CG2 3.34Å; I669-V673 PolarHBondContact O-N 2.67Å
670	S	79.6	Confident	76.1	Confident	60 Å²	60	81.5 Å²	81.5	42%	0.42	50%	0.497	S	S	.	.	H	α-helix	trans	-60.1	-45	175.9	-65.3	0	0	0	0	112.2	I666 I667 V673 I674	I666-S670 WeakPolarHBondContact O-CB 3.41Å; I666-S670 PolarHBondContact O-N 3.02Å; I666-S670 PolarHBondContact O-OG 2.81Å; I666-S670 VanDerWaalsContact O-OG 3.09Å; I667-S670 PolarHBondContact O-N 2.73Å; S670-V673 PolarHBondContact O-N 2.73Å; S670-I674 WeakPolarHBondContact O-CB 3.35Å; S670-I674 WeakPolarHBondContact O-CD1 3.45Å; S670-I674 WeakPolarHBondContact O-CG1 3.19Å; S670-I674 PolarHBondContact O-N 3.41Å
671	L	86.1	Confident	78.1	Confident	97 Å²	97	81.3 Å²	81.3	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176.5	-73	171.6	0	0	0	112.1	I667 A668 I669 I674 L675	I667-L671 HydrophobicContact CG2-CD1 3.75Å; I667-L671 HydrophobicContact CG2-CG 4.3Å; I667-L671 WeakPolarHBondContact O-CB 3.41Å; I667-L671 VanDerWaalsContact O-CG 3.29Å; I667-L671 WeakPolarHBondContact O-CG 3.46Å; I667-L671 PolarHBondContact O-N 2.88Å; A668-L671 PolarHBondContact O-N 3.04Å; I669-L671 PolarHBondContact O-N 3.34Å; L671-I674 PolarHBondContact O-N 2.84Å; L671-L675 WeakPolarHBondContact O-CB 3.45Å; L671-L675 VanDerWaalsContact O-CG 3.28Å; L671-L675 WeakPolarHBondContact O-CG 3.44Å; L671-L675 PolarHBondContact O-N 3.2Å
672	A	85.1	Confident	79.6	Confident	53 Å²	53	83.6 Å²	83.6	44%	0.438	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-44.7	176	0	0	0	0	0	111.9	A668 I669 L675 V676	A668-A672 WeakPolarHBondContact O-CB 3.32Å; A668-A672 PolarHBondContact O-N 3.46Å; I669-A672 PolarHBondContact O-N 2.8Å; A672-L675 PolarHBondContact O-N 2.92Å; A672-V676 WeakPolarHBondContact O-CG2 3.4Å; A672-V676 PolarHBondContact O-N 2.75Å
673	V	89.9	Confident	80.8	Confident	79 Å²	79	82 Å²	82	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-43	175.9	170.3	0	0	0	0	111.2	I669 S670 L675 V676 I677	I669-V673 HydrophobicContact CG2-CG2 4.47Å; I669-V673 WeakPolarHBondContact O-CB 3.46Å; I669-V673 WeakPolarHBondContact O-CG2 3.34Å; I669-V673 PolarHBondContact O-N 2.67Å; S670-V673 PolarHBondContact O-N 2.73Å; V673-L675 PolarHBondContact O-N 2.9Å; V673-V676 PolarHBondContact O-N 3.11Å; V673-I677 HydrophobicContact CG1-CD1 3.75Å; V673-I677 HydrophobicContact CG1-CG1 4.48Å; V673-I677 VanDerWaalsContact O-CG1 3.29Å; V673-I677 WeakPolarHBondContact O-CG1 3.31Å; V673-I677 PolarHBondContact O-N 2.73Å
674	I	90.3	Very high	81.9	Confident	89 Å²	89	81 Å²	81	46%	0.456	49%	0.487	S	S	.	.	H	α-helix	trans	-61	-44.2	175.2	-72.1	163	0	0	0	111.1	S670 L671 I677 L678	S670-I674 WeakPolarHBondContact O-CB 3.35Å; S670-I674 WeakPolarHBondContact O-CD1 3.45Å; S670-I674 WeakPolarHBondContact O-CG1 3.19Å; S670-I674 PolarHBondContact O-N 3.41Å; L671-I674 PolarHBondContact O-N 2.84Å; I674-I677 PolarHBondContact O-N 2.95Å; I674-L678 HydrophobicContact CG2-CD1 3.84Å; I674-L678 HydrophobicContact CG2-CG 4.39Å; I674-L678 WeakPolarHBondContact O-CB 3.41Å; I674-L678 VanDerWaalsContact O-CG 3.29Å; I674-L678 WeakPolarHBondContact O-CG 3.48Å; I674-L678 PolarHBondContact O-N 3.07Å
675	L	89.2	Confident	82.9	Confident	121 Å²	121	82.3 Å²	82.3	63%	0.634	49%	0.486	S	S	*	.	H	α-helix	trans	-64.8	-39	177.6	-74.2	168.8	0	0	0	112.5	L671 A672 V673 G679	L671-L675 WeakPolarHBondContact O-CB 3.45Å; L671-L675 VanDerWaalsContact O-CG 3.28Å; L671-L675 WeakPolarHBondContact O-CG 3.44Å; L671-L675 PolarHBondContact O-N 3.2Å; A672-L675 PolarHBondContact O-N 2.92Å; V673-L675 PolarHBondContact O-N 2.9Å; L675-G679 PolarHBondContact O-N 3Å
676	V	90.2	Very high	83.6	Confident	94 Å²	94	82.4 Å²	82.4	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-65.4	-44	174	170	0	0	0	0	111.2	A672 V673 G679 L680	A672-V676 WeakPolarHBondContact O-CG2 3.4Å; A672-V676 PolarHBondContact O-N 2.75Å; V673-V676 PolarHBondContact O-N 3.11Å; V676-G679 PolarHBondContact O-N 2.95Å; V676-L680 HydrophobicContact CG1-CD1 4.13Å; V676-L680 WeakPolarHBondContact O-CG 3.44Å; V676-L680 PolarHBondContact O-N 3.29Å
677	I	90.3	Very high	83.7	Confident	95 Å²	95	84.8 Å²	84.8	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-44.7	176.8	-69.4	167.3	0	0	0	110.8	V673 I674 G679 L680 V681	V673-I677 HydrophobicContact CG1-CD1 3.75Å; V673-I677 HydrophobicContact CG1-CG1 4.48Å; V673-I677 VanDerWaalsContact O-CG1 3.29Å; V673-I677 WeakPolarHBondContact O-CG1 3.31Å; V673-I677 PolarHBondContact O-N 2.73Å; I674-I677 PolarHBondContact O-N 2.95Å; I677-G679 PolarHBondContact O-N 3.25Å; I677-L680 PolarHBondContact O-N 3.39Å; I677-V681 WeakPolarHBondContact O-CG2 3.49Å; I677-V681 PolarHBondContact O-N 3.38Å
678	L	89.8	Confident	83.6	Confident	80 Å²	80	86.4 Å²	86.4	42%	0.419	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.6	-73.6	169.9	0	0	0	111.5	I674 L680 V681 F682	I674-L678 HydrophobicContact CG2-CD1 3.84Å; I674-L678 HydrophobicContact CG2-CG 4.39Å; I674-L678 WeakPolarHBondContact O-CB 3.41Å; I674-L678 VanDerWaalsContact O-CG 3.29Å; I674-L678 WeakPolarHBondContact O-CG 3.48Å; I674-L678 PolarHBondContact O-N 3.07Å; L678-L680 VanDerWaalsContact C-N 3.33Å; L678-L680 PolarHBondContact O-N 2.71Å; L678-V681 PolarHBondContact O-N 3.43Å; L678-F682 WeakPolarHBondContact O-CD2 3.45Å; L678-F682 PolarHBondContact O-N 3.49Å
679	G	87.6	Confident	83.3	Confident	46 Å²	46	87.3 Å²	87.3	47%	0.474	51%	0.507	S	S	.	.	H	α-helix	trans	-59.4	-41.1	175.3	0	0	0	0	0	113	L675 V676 I677 G683	L675-G679 PolarHBondContact O-N 3Å; V676-G679 PolarHBondContact O-N 2.95Å; I677-G679 PolarHBondContact O-N 3.25Å; G679-G683 PolarHBondContact O-N 3.1Å
680	L	87.6	Confident	82.4	Confident	115 Å²	115	92.5 Å²	92.5	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-65.8	-43.5	173.6	-71.8	169.2	0	0	0	111.9	V676 I677 L678 G683 V684	V676-L680 HydrophobicContact CG1-CD1 4.13Å; V676-L680 WeakPolarHBondContact O-CG 3.44Å; V676-L680 PolarHBondContact O-N 3.29Å; I677-L680 PolarHBondContact O-N 3.39Å; L678-L680 VanDerWaalsContact C-N 3.33Å; L678-L680 PolarHBondContact O-N 2.71Å; L680-G683 PolarHBondContact O-N 3.31Å; L680-V684 WeakPolarHBondContact O-CG2 3.3Å; L680-V684 PolarHBondContact O-N 2.96Å
681	V	88.3	Confident	81.3	Confident	79 Å²	79	97.6 Å²	97.6	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-62.4	-47.5	176.5	169.9	0	0	0	0	111.2	I677 L678 G683 V684 V685	I677-V681 WeakPolarHBondContact O-CG2 3.49Å; I677-V681 PolarHBondContact O-N 3.38Å; L678-V681 PolarHBondContact O-N 3.43Å; V681-G683 VanDerWaalsContact C-N 3.31Å; V681-G683 PolarHBondContact O-N 3.5Å; V681-V684 PolarHBondContact O-N 3.04Å; V681-V685 HydrophobicContact CG1-CG2 4.43Å; V681-V685 WeakPolarHBondContact O-CB 3.49Å; V681-V685 VanDerWaalsContact O-CG2 3.32Å; V681-V685 WeakPolarHBondContact O-CG2 3.23Å; V681-V685 PolarHBondContact O-N 3.37Å
682	F	84.7	Confident	79.8	Confident	151 Å²	151	101.5 Å²	101.5	66%	0.662	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-35.9	174.7	-77.3	-63.4	0	0	0	112.4	L678 G686	L678-F682 WeakPolarHBondContact O-CD2 3.45Å; L678-F682 PolarHBondContact O-N 3.49Å; F682-G686 PolarHBondContact O-N 3.27Å
683	G	81.2	Confident	78.3	Confident	44 Å²	44	106.9 Å²	106.9	45%	0.454	56%	0.564	S	S	.	*	H	α-helix	trans	-62.5	-46.1	172.8	0	0	0	0	0	112.9	G679 L680 V681 G686 F687	G679-G683 PolarHBondContact O-N 3.1Å; L680-G683 PolarHBondContact O-N 3.31Å; V681-G683 VanDerWaalsContact C-N 3.31Å; V681-G683 PolarHBondContact O-N 3.5Å; G683-G686 PolarHBondContact O-N 2.82Å; G683-F687 VanDerWaalsContact O-CB 3.3Å; G683-F687 WeakPolarHBondContact O-CB 3.41Å; G683-F687 PolarHBondContact O-N 3.3Å
684	V	82.5	Confident	76	Confident	85 Å²	85	107.8 Å²	107.8	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-65.8	-45.5	176.9	170.4	0	0	0	0	111.3	L680 V681 F687 M688	L680-V684 WeakPolarHBondContact O-CG2 3.3Å; L680-V684 PolarHBondContact O-N 2.96Å; V681-V684 PolarHBondContact O-N 3.04Å; V684-F687 PolarHBondContact O-N 3.42Å; V684-M688 HydrophobicContact CG1-SD 4.13Å; V684-M688 WeakPolarHBondContact O-CG 3.08Å; V684-M688 PolarHBondContact O-N 3.32Å
685	V	80.2	Confident	73.8	Confident	75 Å²	75	109.7 Å²	109.7	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-62	-45.7	176.1	171.3	0	0	0	0	110.7	V681 F687 M688 C689	V681-V685 HydrophobicContact CG1-CG2 4.43Å; V681-V685 WeakPolarHBondContact O-CB 3.49Å; V681-V685 VanDerWaalsContact O-CG2 3.32Å; V681-V685 WeakPolarHBondContact O-CG2 3.23Å; V681-V685 PolarHBondContact O-N 3.37Å; V685-F687 VanDerWaalsContact C-N 3.33Å; V685-F687 PolarHBondContact O-N 3.33Å; V685-M688 PolarHBondContact O-N 3.22Å; V685-C689 WeakPolarHBondContact O-CB 3.15Å; V685-C689 PolarHBondContact O-N 2.95Å; V685-C689 PolarHBondContact O-SG 3.22Å; V685-C689 VanDerWaalsContact O-SG 3.34Å
686	G	75.9	Confident	71.8	Confident	36 Å²	36	109.9 Å²	109.9	37%	0.371	60%	0.598	S	S	.	*	H	α-helix	trans	-61.7	-38.1	175.7	0	0	0	0	0	113.3	F682 G683 C689 R690	F682-G686 PolarHBondContact O-N 3.27Å; G683-G686 PolarHBondContact O-N 2.82Å; G686-C689 PolarHBondContact O-N 3.41Å; G686-R690 PolarHBondContact O-N 2.77Å
687	F	72.3	Confident	69.5	Low	137 Å²	137	112.9 Å²	112.9	60%	0.601	61%	0.61	S	S	*	*	H	α-helix	trans	-66.2	-43.1	173.6	-175.9	-100.8	0	0	0	111.9	G683 V684 V685 R690 K691	G683-F687 VanDerWaalsContact O-CB 3.3Å; G683-F687 WeakPolarHBondContact O-CB 3.41Å; G683-F687 PolarHBondContact O-N 3.3Å; V684-F687 PolarHBondContact O-N 3.42Å; V685-F687 VanDerWaalsContact C-N 3.33Å; V685-F687 PolarHBondContact O-N 3.33Å; F687-R690 PolarHBondContact O-N 2.87Å; F687-K691 HydrophobicContact CE1-CD 4.46Å; F687-K691 WeakPolarHBondContact O-CB 3.32Å; F687-K691 PolarHBondContact O-N 3.06Å
688	M	71.8	Confident	67.4	Low	127 Å²	127	114.1 Å²	114.1	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-64	-40.6	174.8	-72.1	177.9	68.2	0	0	112.2	V684 V685 K691 K692	V684-M688 HydrophobicContact CG1-SD 4.13Å; V684-M688 WeakPolarHBondContact O-CG 3.08Å; V684-M688 PolarHBondContact O-N 3.32Å; V685-M688 PolarHBondContact O-N 3.22Å; M688-K691 PolarHBondContact O-N 3.41Å; M688-K692 PolarHBondContact O-N 3Å
689	C	65.8	Low	65.2	Low	75 Å²	75	117 Å²	117	51%	0.507	65%	0.645	S	S	.	*	H	α-helix	trans	-63	-45.6	173.6	-72	0	0	0	0	112	V685 G686 K691 K692	V685-C689 WeakPolarHBondContact O-CB 3.15Å; V685-C689 PolarHBondContact O-N 2.95Å; V685-C689 PolarHBondContact O-SG 3.22Å; V685-C689 VanDerWaalsContact O-SG 3.34Å; G686-C689 PolarHBondContact O-N 3.41Å; C689-K691 PolarHBondContact O-N 3.48Å; C689-K692 WeakPolarHBondContact O-CB 3.5Å; C689-K692 PolarHBondContact O-N 2.94Å
690	R	62.6	Low	62.8	Low	205 Å²	205	120.3 Å²	120.3	77%	0.774	66%	0.661	S	S	*	*	H	α-helix	trans	-60.5	-43.9	174.2	-81.3	-176	167.5	-174.9	-3.5	112.1	G686 F687 K692 H693	G686-R690 PolarHBondContact O-N 2.77Å; F687-R690 PolarHBondContact O-N 2.87Å; R690-K692 PolarHBondContact O-N 3.47Å; R690-K692 VanDerWaalsContact O-N 3.1Å; R690-H693 PolarHBondContact O-N 2.77Å; R690-H693 VanDerWaalsContact O-N 3.14Å
691	K	56.6	Low	60.4	Low	167 Å²	167	122.8 Å²	122.8	73%	0.726	67%	0.669	S	S	*	*	H	α-helix	trans	-64.3	-14.3	178.7	-160.7	174.5	-176.8	-177.6	0	113.5	F687 M688 C689	F687-K691 HydrophobicContact CE1-CD 4.46Å; F687-K691 WeakPolarHBondContact O-CB 3.32Å; F687-K691 PolarHBondContact O-N 3.06Å; M688-K691 PolarHBondContact O-N 3.41Å; C689-K691 PolarHBondContact O-N 3.48Å
692	K	55.1	Low	57.9	Low	179 Å²	179	124.9 Å²	124.9	78%	0.778	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-5.6	177	-144.3	178.7	-176	-176.5	0	114.4	M688 C689 R690	M688-K692 PolarHBondContact O-N 3Å; C689-K692 WeakPolarHBondContact O-CB 3.5Å; C689-K692 PolarHBondContact O-N 2.94Å; R690-K692 PolarHBondContact O-N 3.47Å; R690-K692 VanDerWaalsContact O-N 3.1Å
693	H	52.4	Low	55.6	Low	166 Å²	166	125.8 Å²	125.8	77%	0.769	69%	0.689	S	S	*	*	S	Bend	trans	-128.6	5.2	-170.2	-83.6	-76.8	0	0	0	116.5	R690	R690-H693 PolarHBondContact O-N 2.77Å; R690-H693 VanDerWaalsContact O-N 3.14Å
694	S	42.4	Very low	53.6	Low	98 Å²	98	134.4 Å²	134.4	69%	0.685	71%	0.707	S	S	*	*			trans	-98.9	124.4	175.3	-63.7	0	0	0	0	112.3
695	P	44.4	Very low	51.2	Low	128 Å²	128	140.2 Å²	140.2	83%	0.831	73%	0.726	S	S	*	*			trans	-76.8	169.1	171.8	32.8	-34.8	0	0	0	112.6
696	T	45.6	Very low	49.1	Very low	126 Å²	126	141 Å²	141	77%	0.773	74%	0.74	S	S	*	*			trans	-106.8	166.4	-161.6	-35.9	0	0	0	0	113.8
697	L	41.9	Very low	48.5	Very low	157 Å²	157	145.4 Å²	145.4	82%	0.822	76%	0.762	S	S	*	*			trans	92.5	154.9	162.4	-57.5	166	0	0	0	117.3
698	P	46	Very low	46.5	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	77%	0.773	S	S	*	*			cis	-124.6	-179.4	-16.1	26	-4	0	0	0	114.2
699	V	45.5	Very low	44.8	Very low	141 Å²	141	144.4 Å²	144.4	86%	0.855	78%	0.784	S	S	*	*			trans	-94.6	152.6	178.8	173.5	0	0	0	0	111.6
700	S	36.4	Very low	43.3	Very low	116 Å²	116	146 Å²	146	81%	0.811	80%	0.796	S	S	*	*			trans	-140.1	160.3	158.1	-164.4	0	0	0	0	112.8
701	Q	36.5	Very low	41.7	Very low	167 Å²	167	140.5 Å²	140.5	78%	0.78	79%	0.789	S	S	*	*			trans	-97	175.8	-178	-56.6	166.7	-24.8	0	0	110.1
702	T	37.1	Very low	40.6	Very low	123 Å²	123	138.3 Å²	138.3	76%	0.755	80%	0.795	S	S	*	*			cis	-135.6	-142	-5.4	-12.8	0	0	0	0	107.6
703	Q	34.6	Very low	39.4	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	79%	0.794	S	S	*	*			cis	-149.7	-142.3	1.2	-148.4	-172.3	101.6	0	0	110.5
704	R	39.6	Very low	39.1	Very low	224 Å²	224	131.2 Å²	131.2	85%	0.845	79%	0.79	S	S	*	*			trans	-143.5	147.6	172	-77.3	174.9	164.6	173	-6.4	109.8
705	K	32.5	Very low	38.6	Very low	208 Å²	208	134.5 Å²	134.5	90%	0.904	79%	0.794	S	S	*	*			trans	-172.7	161.3	131.8	-105.7	168.3	-175.2	-179.4	0	111.5
706	A	36	Very low	38	Very low	91 Å²	91	134 Å²	134	75%	0.752	79%	0.788	S	S	*	*			trans	-149.7	-168.5	178.3	0	0	0	0	0	107.8
707	P	63	Low	37.4	Very low	128 Å²	128	134.5 Å²	134.5	83%	0.831	79%	0.786	S	S	*	*				-116.7	175	-72.7	37.7	-26.9	0	0	0	111.9
708	A	30.3	Very low	36.8	Very low	101 Å²	101	133.9 Å²	133.9	84%	0.835	78%	0.779	S	S	*	*			trans	-149.9	165.2	171.1	0	0	0	0	0	112.3
709	V	36.4	Very low	36	Very low	142 Å²	142	135.1 Å²	135.1	86%	0.861	77%	0.774	S	S	*	*			trans	-140.9	168.5	-167.5	176.7	0	0	0	0	109.6
710	S	33.5	Very low	35.4	Very low	108 Å²	108	138 Å²	138	76%	0.755	77%	0.772	S	S	*	*			trans	82.6	162.8	166.2	-167.6	0	0	0	0	116.9
711	S	30.5	Very low	35.2	Very low	91 Å²	91	139.2 Å²	139.2	64%	0.636	77%	0.774	S	S	*	*				-174.5	146.9	-71.3	52.5	0	0	0	0	110.9
712	S	31.9	Very low	35	Very low	120 Å²	120	138.2 Å²	138.2	84%	0.839	77%	0.773	S	S	*	*			trans	61.7	155.3	169.8	32.5	0	0	0	0	117.4
713	A	31.8	Very low	34.9	Very low	91 Å²	91	137.8 Å²	137.8	75%	0.752	77%	0.774	S	S	*	*			cis	-141.5	-115.6	-13.2	0	0	0	0	0	113.5
714	P	45.7	Very low	35.1	Very low	106 Å²	106	138.5 Å²	138.5	69%	0.688	78%	0.778	S	S	*	*				-130.1	179.5	-126.1	40.7	-22.2	0	0	0	118.4
715	H	31.3	Very low	35.1	Very low	167 Å²	167	133.7 Å²	133.7	77%	0.773	78%	0.775	S	S	*	*			trans	73.5	112.9	166.1	-78.5	-74.7	0	0	0	117.9
716	V	32.4	Very low	35.2	Very low	118 Å²	118	135.4 Å²	135.4	72%	0.715	78%	0.776	S	S	*	*				77.7	122.5	93.8	163.3	0	0	0	0	111.8
717	N	31.7	Very low	35.6	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	78%	0.778	S	S	*	*				-156.9	169	62.3	-152.1	3.8	0	0	0	117.5
718	Q	31	Very low	34.2	Very low	143 Å²	143	139.1 Å²	139.1	67%	0.668	78%	0.782	S	S	*	*			trans	88	126	151.2	-98.6	170	-67.1	0	0	124.2
719	E	29.2	Very low	34.5	Very low	146 Å²	146	146.2 Å²	146.2	68%	0.682	79%	0.787	S	S	*	*			trans	75	78.4	144.5	-82.3	155.5	-133.9	0	0	123.2
720	Y	32	Very low	34.4	Very low	203 Å²	203	148.6 Å²	148.6	80%	0.796	79%	0.789	S	S	*	*				38.6	103.8	116.8	-68.5	-73.2	0	0	0	119.8
721	T	31.9	Very low	34.6	Very low	141 Å²	141	148 Å²	148	87%	0.865	79%	0.79	S	S	*	*			trans	-148.8	120.6	131.2	-65.7	0	0	0	0	108.5
722	I	32.8	Very low	35.2	Very low	146 Å²	146	149.7 Å²	149.7	75%	0.749	80%	0.8	S	S	*	*			trans	-104.9	119.4	-179.9	-64.1	175.7	0	0	0	109.5
723	S	34.8	Very low	35.3	Very low	113 Å²	113	153.6 Å²	153.6	79%	0.79	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-90.2	143.8	169.2	50.1	0	0	0	0	111.2
724	Q	38.5	Very low	36.1	Very low	186 Å²	186	155.3 Å²	155.3	87%	0.869	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87.1	151.3	-167.5	-67.6	178.1	-18.8	0	0	114.1
725	P	39.3	Very low	35.8	Very low	122 Å²	122	160.6 Å²	160.6	79%	0.792	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75	163	169.7	32.6	-35.6	0	0	0	112.9
726	R	36.1	Very low	36.5	Very low	244 Å²	244	156.4 Å²	156.4	92%	0.921	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.1	151	-179.5	-89.2	-178.5	169.1	-178.5	-2.5	113.4
727	P	43.6	Very low	37.1	Very low	123 Å²	123	155.4 Å²	155.4	80%	0.799	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.8	157.5	-175.2	4.1	17	0	0	0	114.6
728	L	34.2	Very low	37.8	Very low	174 Å²	174	154.8 Å²	154.8	91%	0.911	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-68.8	153.2	165.9	-73.7	150.7	0	0	0	111.7
729	R	35.3	Very low	38.6	Very low	250 Å²	250	153.4 Å²	153.4	94%	0.943	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-90.5	135.5	169.3	-73.8	-176	170.5	-166.8	-3.2	110.8
730	Q	35.7	Very low	39.6	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	83%	0.834	S	S	*	*			trans	-119.1	157.2	165.4	-72.5	-173.2	-9.7	0	0	110.4
731	A	36.3	Very low	40.3	Very low	95 Å²	95	148.2 Å²	148.2	79%	0.785	83%	0.834	S	S	*	*			trans	-83.5	151.7	-180	0	0	0	0	0	112.5
732	P	43.3	Very low	40.9	Very low	128 Å²	128	147.1 Å²	147.1	83%	0.831	83%	0.829	S	S	*	*			trans	-82	147.7	-175.9	32.6	-35.2	0	0	0	113.7
733	K	35.6	Very low	41.4	Very low	201 Å²	201	146.2 Å²	146.2	87%	0.874	83%	0.833	S	S	*	*			trans	-110	132.3	163.4	-75.7	-175.9	175.4	-179.3	0	110.3
734	P	48.4	Very low	41.9	Very low	127 Å²	127	146 Å²	146	83%	0.825	84%	0.838	S	S	*	*			trans	-78.8	160.7	162.8	32.9	-32.5	0	0	0	111.5
735	K	38.4	Very low	41.9	Very low	217 Å²	217	140.3 Å²	140.3	94%	0.943	83%	0.829	S	S	*	*			trans	-103.8	142.7	170.3	-71.3	-179.9	176.3	178.8	0	110.1
736	G	46.5	Very low	41.7	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	83%	0.833	S	S	*	*			trans	-167.5	147.9	170.9	0	0	0	0	0	110.8
737	A	45	Very low	41.8	Very low	96 Å²	96	142.4 Å²	142.4	79%	0.793	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-96.7	152.5	177.7	0	0	0	0	0	111.1
738	P	46.7	Very low	41.4	Very low	123 Å²	123	142.3 Å²	142.3	80%	0.799	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-83.8	142.6	-170.7	32.3	-35.3	0	0	0	114
739	P	47	Very low	41.5	Very low	115 Å²	115	143.4 Å²	143.4	75%	0.747	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-83.8	162.7	165.1	34.9	-34	0	0	0	112.4
740	P	51	Low	41.7	Very low	118 Å²	118	137.3 Å²	137.3	77%	0.766	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-78.6	162.5	-177.9	32.5	-36.7	0	0	0	114.2
741	P	46.9	Very low	41.7	Very low	122 Å²	122	134 Å²	134	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-80.3	144.1	-176.2	32	-35.8	0	0	0	114.1
742	P	43.8	Very low	41.6	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.4	159.6	168.8	34.1	-34.4	0	0	0	112.7
743	P	42.8	Very low	41.5	Very low	126 Å²	126	137 Å²	137	82%	0.818	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81.9	162.6	-173.2	33.5	-37	0	0	0	114.4
744	A	46	Very low	41.5	Very low	110 Å²	110	133.6 Å²	133.6	91%	0.909	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.5	139.9	175.4	0	0	0	0	0	112.6
745	G	37.4	Very low	41.2	Very low	66 Å²	66	136.4 Å²	136.4	68%	0.68	81%	0.805	S	S	*	*			trans	-164.8	110	178.6	0	0	0	0	0	115.6
746	N	36.7	Very low	41.2	Very low	164 Å²	164	131.9 Å²	131.9	88%	0.877	79%	0.79	S	S	*	*			trans	54.8	124.9	152	-61.1	-19.8	0	0	0	121.6
747	R	38.3	Very low	40.8	Very low	245 Å²	245	131.3 Å²	131.3	93%	0.925	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.1	136.5	165.8	-70.9	176	169.6	171.7	-5.6	112
748	P	34.7	Very low	40.5	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-68.6	153.7	153	-14.6	30.4	0	0	0	111.2
749	K	36.8	Very low	40.1	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.857	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-83.6	150.5	164.6	-72.5	-177.5	178.1	-179.7	0	109.8
750	P	38.2	Very low	39.7	Very low	122 Å²	122	136.3 Å²	136.3	79%	0.792	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.9	139.3	174.4	28.1	-34.5	0	0	0	111.1
751	P	36.5	Very low	39.2	Very low	124 Å²	124	134.8 Å²	134.8	81%	0.805	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-73.6	151.4	171.8	31.6	-34.3	0	0	0	111.2
752	S	34.4	Very low	38.8	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.6	139.1	179	41.3	0	0	0	0	112.5	N754	S752-N754 PolarHBondContact O-N 3.43Å
753	Q	41.2	Very low	38.4	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.2	133.1	170.5	-69.2	175.7	-23.1	0	0	110.5
754	N	35.5	Very low	38.2	Very low	129 Å²	129	140.6 Å²	140.6	69%	0.69	77%	0.765	S	S	*	*			trans	-125.6	80.8	173.4	-155.7	-15.3	0	0	0	110	S752 I756 A757	S752-N754 PolarHBondContact O-N 3.43Å; N754-I756 PolarHBondContact O-N 3.42Å; N754-A757 PolarHBondContact O-N 3.49Å
755	Y	41.4	Very low	38	Very low	186 Å²	186	141.8 Å²	141.8	73%	0.729	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-4	-160.7	-131.2	-92.9	0	0	0	116.1
756	I	38.8	Very low	38.3	Very low	121 Å²	121	143.8 Å²	143.8	62%	0.621	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-34.6	-173.7	-62	177.7	0	0	0	112	N754 R759	N754-I756 PolarHBondContact O-N 3.42Å; I756-R759 PolarHBondContact O-N 3.31Å
757	A	36.8	Very low	39	Very low	69 Å²	69	141.5 Å²	141.5	57%	0.57	76%	0.756	S	S	*	*	S	Bend	trans	-65.8	-45.2	-174.3	0	0	0	0	0	112.9	N754 R759 Q760	N754-A757 PolarHBondContact O-N 3.49Å; A757-R759 PolarHBondContact O-N 3.25Å; A757-R759 VanDerWaalsContact O-N 3.17Å; A757-Q760 PolarHBondContact O-N 3.18Å; A757-Q760 VanDerWaalsContact O-N 3.09Å
758	A	39.1	Very low	39.3	Very low	70 Å²	70	135.5 Å²	135.5	58%	0.579	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-31.3	178.5	0	0	0	0	0	112.7	Q760 A761	A758-Q760 VanDerWaalsContact C-N 3.27Å; A758-Q760 PolarHBondContact O-N 2.84Å; A758-A761 PolarHBondContact O-N 3.06Å
759	R	39.7	Very low	39.6	Very low	218 Å²	218	139.8 Å²	139.8	82%	0.823	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-10.8	-178.6	-145.6	177.8	-168.4	-173.3	5.3	114	I756 A757	I756-R759 PolarHBondContact O-N 3.31Å; A757-R759 PolarHBondContact O-N 3.25Å; A757-R759 VanDerWaalsContact O-N 3.17Å
760	Q	38.1	Very low	40	Very low	150 Å²	150	140.6 Å²	140.6	70%	0.701	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-28.5	175	-69	-175.6	-23.1	0	0	112.9	A757 A758 L762	A757-Q760 PolarHBondContact O-N 3.18Å; A757-Q760 VanDerWaalsContact O-N 3.09Å; A758-Q760 VanDerWaalsContact C-N 3.27Å; A758-Q760 PolarHBondContact O-N 2.84Å; Q760-L762 PolarHBondContact O-N 3.06Å
761	A	40.9	Very low	40.1	Very low	87 Å²	87	141.5 Å²	141.5	72%	0.719	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-12.8	-177.7	0	0	0	0	0	115	A758	A758-A761 PolarHBondContact O-N 3.06Å
762	L	37.9	Very low	40.3	Very low	151 Å²	151	142.4 Å²	142.4	79%	0.791	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	21.3	-171.9	-66.7	172.6	0	0	0	114.4	Q760	Q760-L762 PolarHBondContact O-N 3.06Å
763	R	35.4	Very low	40.6	Very low	213 Å²	213	143.8 Å²	143.8	80%	0.804	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-91.9	122.9	170.8	-75.8	-171.5	172.5	-166.5	-2.8	110.8
764	P	39.2	Very low	40.5	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.4	142.9	170.8	-23.6	34.3	0	0	0	111.9
765	V	42.1	Very low	40.9	Very low	134 Å²	134	143.2 Å²	143.2	81%	0.812	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.6	133.3	171.9	-176.5	0	0	0	0	108.7
766	P	43.8	Very low	40.8	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.6	144.1	175.1	-21.8	33.3	0	0	0	111.7
767	P	49.5	Very low	41	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.4	175	27.4	-34.5	0	0	0	111.2
768	P	45.5	Very low	41.3	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.3	145.5	175.2	28.8	-34.8	0	0	0	110.6	V770	P768-V770 PolarHBondContact O-N 2.85Å
769	K	42	Very low	41.5	Very low	210 Å²	210	153.8 Å²	153.8	91%	0.913	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76	122.4	175.2	-68.2	-176.4	177.2	-176.6	0	110.7
770	V	43.7	Very low	41.6	Very low	214 Å²	214	147.9 Å²	147.9	100%	1.297	83%	0.825	S	S	*	*			trans	-134.8	0	156	-176	0	0	0	0	106.2	P768	P768-V770 PolarHBondContact O-N 2.85Å

Retrieved 770 of 770 residues in 235.9 ms (Link to these results)

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