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Vitellogenin-1

Vitellogenin is the major yolk protein of eggs where it is used as a food source during embryogenesis. Along with Yp2 and Yp3, and their receptor yl/yolkless, required for maintenance of microtubule plus-end orientation towards the posterior pole of oocytes¹. Involved in polarized localization of germ plasm components, such as osk mRNA and vas protein, to the oocyte posterior cortex². Receptor-mediated endocytosis by yl/yolkless is crucial for actin reorganization, mediated by osk isoform A/Long, required to anchor germ plasm components to the oocyte cortex³.

AlphaFold DB , UniProt , Accession P02843, Species DROME (Drosophila melanogaster, Fruit fly), Gene Yp1, Length 439 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	33.7	Very low	41.1	Very low	242 Å²	242	115.1 Å²	115.1	100%	1.192	60%	0.6	S	S	*	*				0	130.6	0	-75.9	160.1	69.4	0	0	107.6
2	N	30.4	Very low	42.2	Very low	140 Å²	140	110.9 Å²	110.9	75%	0.749	59%	0.586	S	S	*	*			trans	-61.7	124.8	-160.4	-131.4	-10.2	0	0	0	113.6	M4	N2-M4 PolarHBondContact O-N 2.94Å; N2-M4 VanDerWaalsContact O-N 3.14Å
3	P	34	Very low	43.3	Very low	122 Å²	122	103.5 Å²	103.5	79%	0.792	55%	0.547	S	S	*	.	S	Bend	trans	-76.9	10.9	-178.5	30.1	-33.3	0	0	0	115
4	M	33.8	Very low	44.3	Very low	164 Å²	164	97.6 Å²	97.6	81%	0.808	52%	0.521	S	S	*	.			trans	-100.7	30.5	-173.4	-77.1	-125.5	-74.3	0	0	115.1	N2	N2-M4 PolarHBondContact O-N 2.94Å; N2-M4 VanDerWaalsContact O-N 3.14Å
5	R	29.9	Very low	45.1	Very low	231 Å²	231	97.4 Å²	97.4	87%	0.872	52%	0.524	S	S	*	.			trans	-123.1	17.7	-179	-85.4	-167.1	172	-169.3	-1.8	116.2
6	V	34.4	Very low	45.5	Very low	124 Å²	124	93.1 Å²	93.1	75%	0.752	51%	0.506	S	S	*	.			trans	-109.3	59	172.3	-164.2	0	0	0	0	109.8	S8	V6-S8 PolarHBondContact O-N 2.85Å
7	L	38.7	Very low	45.9	Very low	116 Å²	116	88.2 Å²	88.2	61%	0.607	48%	0.481	S	S	*	.			trans	-75.8	112.5	149	-98.6	131.8	0	0	0	104.7	L9 A11	L7-L9 PolarHBondContact O-N 3.21Å; L7-A11 HydrophobicContact CD2-CB 4Å
8	S	53	Low	46.3	Very low	34 Å²	34	89.6 Å²	89.6	24%	0.238	49%	0.487	C	S	.	.			trans	-50.9	141	-178.6	70.5	0	0	0	0	109.1	V6 L10 A11 C12	V6-S8 PolarHBondContact O-N 2.85Å; S8-L10 PolarHBondContact O-N 3.22Å; S8-A11 WeakPolarHBondContact O-CA 3.29Å; S8-A11 WeakPolarHBondContact O-CB 3.22Å; S8-A11 PolarHBondContact O-N 3.05Å; S8-A11 VanDerWaalsContact OG-CB 3.31Å; S8-A11 WeakPolarHBondContact OG-CB 3.43Å; S8-A11 PolarHBondContact OG-N 3.47Å; S8-A11 VanDerWaalsContact OG-N 3.11Å; S8-C12 PolarHBondContact O-N 2.68Å
9	L	51.8	Low	46.6	Very low	48 Å²	48	88.4 Å²	88.4	25%	0.251	49%	0.49	S	S	.	.	H	α-helix	trans	-50.6	-34.7	-178.8	-131.1	136.2	0	0	0	111	L7 C12 L13 L50 V83 M221	L7-L9 PolarHBondContact O-N 3.21Å; L9-C12 PolarHBondContact O-N 3.03Å; L9-L13 HydrophobicContact CD2-CD1 4.16Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 3.36Å; L9-L50 HydrophobicContact CB-CD2 4.08Å; L9-L50 HydrophobicContact CD1-CD2 4.23Å; L9-V83 HydrophobicContact CD2-CG1 4.04Å; L9-V83 HydrophobicContact CD2-CG2 3.88Å; L9-M221 HydrophobicContact CD1-CE 3.8Å; L9-M221 HydrophobicContact CD1-SD 4.08Å; L9-M221 HydrophobicContact CD2-CE 3.99Å
10	L	56	Low	46.5	Very low	12 Å²	12	93.3 Å²	93.3	6%	0.063	51%	0.507	C	S	.	.	H	α-helix	trans	-70	-36.7	173.4	-78.1	158.2	0	0	0	114.3	S8 L13 A14 I47 P48 L50 F53 V73 L76	S8-L10 PolarHBondContact O-N 3.22Å; L10-L13 PolarHBondContact O-N 3.08Å; L10-A14 VanDerWaalsContact O-CB 3.24Å; L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.73Å; L10-I47 HydrophobicContact CD1-CG2 3.95Å; L10-I47 HydrophobicContact CD2-CG2 3.99Å; L10-P48 WeakPolarHBondContact CD1-O 3.21Å; L10-L50 HydrophobicContact CD1-CB 4.38Å; L10-L50 HydrophobicContact CD1-CD1 4.37Å; L10-F53 HydrophobicContact CD1-CD2 4.44Å; L10-F53 HydrophobicContact CD1-CE2 3.86Å; L10-V73 HydrophobicContact CD1-CG2 4.48Å; L10-V73 HydrophobicContact CD2-CG2 4.48Å; L10-L76 HydrophobicContact CD2-CB 4.4Å; L10-L76 HydrophobicContact CD2-CD1 3.52Å
11	A	56.5	Low	46.6	Very low	33 Å²	33	92.9 Å²	92.9	27%	0.273	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-40.4	170.6	0	0	0	0	0	111.6	L7 S8 L13 A14 V15	L7-A11 HydrophobicContact CD2-CB 4Å; S8-A11 WeakPolarHBondContact O-CA 3.29Å; S8-A11 WeakPolarHBondContact O-CB 3.22Å; S8-A11 PolarHBondContact O-N 3.05Å; S8-A11 VanDerWaalsContact OG-CB 3.31Å; S8-A11 WeakPolarHBondContact OG-CB 3.43Å; S8-A11 PolarHBondContact OG-N 3.47Å; S8-A11 VanDerWaalsContact OG-N 3.11Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 2.97Å; A11-A14 PolarHBondContact O-N 2.73Å; A11-V15 WeakPolarHBondContact O-CB 3.24Å; A11-V15 VanDerWaalsContact O-CG2 3.23Å; A11-V15 WeakPolarHBondContact O-CG2 3.23Å; A11-V15 PolarHBondContact O-N 3.16Å
12	C	54.5	Low	46.9	Very low	65 Å²	65	89.5 Å²	89.5	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-42.2	172.3	-73.3	0	0	0	0	111.7	S8 L9 A16	S8-C12 PolarHBondContact O-N 2.68Å; L9-C12 PolarHBondContact O-N 3.03Å; C12-A16 WeakPolarHBondContact O-CB 3.18Å; C12-A16 PolarHBondContact O-N 3.3Å
13	L	55.8	Low	47.4	Very low	15 Å²	15	85.4 Å²	85.4	8%	0.079	49%	0.486	C	S	.	.	H	α-helix	trans	-68.8	-37.3	177.3	-70.3	169	0	0	0	112.2	L9 L10 A11 A16 A17 L76 V83	L9-L13 HydrophobicContact CD2-CD1 4.16Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 3.08Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 2.97Å; L13-A16 PolarHBondContact O-N 3.35Å; L13-A17 VanDerWaalsContact O-CB 3.23Å; L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.43Å; L13-L76 HydrophobicContact CB-CB 4.31Å; L13-L76 HydrophobicContact CD1-CB 4.11Å; L13-L76 VanDerWaalsContact CD2-O 3.23Å; L13-L76 WeakPolarHBondContact CD2-O 3.41Å; L13-V83 HydrophobicContact CD1-CG2 4.48Å; L13-V83 HydrophobicContact CD2-CG2 4.09Å
14	A	57.7	Low	47.4	Very low	21 Å²	21	91.8 Å²	91.8	17%	0.174	49%	0.494	C	S	.	.	H	α-helix	trans	-68.2	-41.6	175.1	0	0	0	0	0	111.8	L10 A11 A17 L18	L10-A14 VanDerWaalsContact O-CB 3.24Å; L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.73Å; A11-A14 PolarHBondContact O-N 2.73Å; A14-A17 WeakPolarHBondContact O-CB 3.47Å; A14-A17 PolarHBondContact O-N 3.43Å; A14-L18 WeakPolarHBondContact O-CB 3.02Å; A14-L18 VanDerWaalsContact O-CG 3.23Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 2.92Å
15	V	55.8	Low	47.6	Very low	94 Å²	94	91.2 Å²	91.2	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-63.9	-42	174.4	171.7	0	0	0	0	110.7	A11 L18 A19	A11-V15 WeakPolarHBondContact O-CB 3.24Å; A11-V15 VanDerWaalsContact O-CG2 3.23Å; A11-V15 WeakPolarHBondContact O-CG2 3.23Å; A11-V15 PolarHBondContact O-N 3.16Å; V15-L18 PolarHBondContact O-N 3.46Å; V15-A19 PolarHBondContact O-N 3.42Å
16	A	52.4	Low	48	Very low	29 Å²	29	87.7 Å²	87.7	24%	0.24	49%	0.49	C	S	.	.	H	α-helix	trans	-64.5	-40.5	175.2	0	0	0	0	0	112.2	C12 L13 L18 A19	C12-A16 WeakPolarHBondContact O-CB 3.18Å; C12-A16 PolarHBondContact O-N 3.3Å; L13-A16 PolarHBondContact O-N 3.35Å; A16-L18 VanDerWaalsContact C-N 3.25Å; A16-L18 PolarHBondContact O-N 3.49Å; A16-A19 PolarHBondContact O-N 3.03Å
17	A	52.8	Low	47.9	Very low	10 Å²	10	90 Å²	90	8%	0.083	50%	0.498	C	S	.	.	H	α-helix	trans	-61.6	-30.3	174.5	0	0	0	0	0	113.6	L13 A14 P35 I79	L13-A17 VanDerWaalsContact O-CB 3.23Å; L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.43Å; A14-A17 WeakPolarHBondContact O-CB 3.47Å; A14-A17 PolarHBondContact O-N 3.43Å; A17-P35 HydrophobicContact CB-CB 3.55Å; A17-P35 HydrophobicContact CB-CG 4.05Å; A17-I79 HydrophobicContact CB-CD1 4.15Å
18	L	51.7	Low	48.1	Very low	112 Å²	112	88.8 Å²	88.8	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-93.2	-13.3	-178.9	-67.4	169.7	0	0	0	113.5	A14 V15 A16 K20	A14-L18 WeakPolarHBondContact O-CB 3.02Å; A14-L18 VanDerWaalsContact O-CG 3.23Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 2.92Å; V15-L18 PolarHBondContact O-N 3.46Å; A16-L18 VanDerWaalsContact C-N 3.25Å; A16-L18 PolarHBondContact O-N 3.49Å; L18-K20 PolarHBondContact O-N 3.09Å
19	A	52	Low	47.5	Very low	67 Å²	67	94 Å²	94	55%	0.554	53%	0.529	S	S	*	.			trans	-70.6	122	179.2	0	0	0	0	0	111.3	V15 A16	V15-A19 PolarHBondContact O-N 3.42Å; A16-A19 PolarHBondContact O-N 3.03Å
20	K	45.8	Very low	47	Very low	187 Å²	187	98 Å²	98	81%	0.813	55%	0.551	S	S	*	*			trans	-66.4	129.2	174.4	-71.7	-179.8	178.9	176.7	0	109.6	L18 N22	L18-K20 PolarHBondContact O-N 3.09Å; K20-N22 PolarHBondContact O-N 2.97Å
21	P	47.2	Very low	46.3	Very low	84 Å²	84	106.7 Å²	106.7	55%	0.545	59%	0.591	S	S	.	*			trans	-68.6	109.4	170.3	26.6	-30.1	0	0	0	108.8	G23	P21-G23 VanDerWaalsContact C-N 3.26Å; P21-G23 PolarHBondContact O-N 3.42Å; P21-G23 VanDerWaalsContact O-N 3.09Å
22	N	39.9	Very low	45.9	Very low	172 Å²	172	108.9 Å²	108.9	92%	0.92	61%	0.61	S	S	*	*			trans	-76.6	82.2	163.4	-86.1	-9	0	0	0	107.9	K20	K20-N22 PolarHBondContact O-N 2.97Å
23	G	42.2	Very low	45.5	Very low	53 Å²	53	110.3 Å²	110.3	55%	0.546	61%	0.613	S	S	.	*	S	Bend	trans	-172.3	125.6	176.9	0	0	0	0	0	111.8	P21 M25	P21-G23 VanDerWaalsContact C-N 3.26Å; P21-G23 PolarHBondContact O-N 3.42Å; P21-G23 VanDerWaalsContact O-N 3.09Å; G23-M25 PolarHBondContact O-N 2.9Å; G23-M25 VanDerWaalsContact O-N 3.08Å
24	R	34.3	Very low	45.4	Very low	256 Å²	256	115.3 Å²	115.3	97%	0.966	63%	0.634	S	S	*	*			trans	-55.8	110.5	167.6	-78.7	176.3	170.4	169.6	-3.7	108	D26	R24-D26 PolarHBondContact O-N 3.05Å
25	M	38.1	Very low	45.1	Very low	153 Å²	153	115.4 Å²	115.4	75%	0.754	63%	0.632	S	S	*	*			trans	-83.3	109.2	172.7	-86.6	178.6	152	0	0	108.7	G23	G23-M25 PolarHBondContact O-N 2.9Å; G23-M25 VanDerWaalsContact O-N 3.08Å
26	D	38.2	Very low	45	Very low	156 Å²	156	114 Å²	114	83%	0.834	63%	0.626	S	S	*	*			trans	-61.8	143.1	164.6	-91.8	-40.7	0	0	0	110.9	R24 S28	R24-D26 PolarHBondContact O-N 3.05Å; D26-S28 PolarHBondContact O-N 2.85Å
27	N	32.6	Very low	45.2	Very low	172 Å²	172	118.4 Å²	118.4	92%	0.92	64%	0.642	S	S	*	*	S	Bend	trans	-66.4	92.2	-179	-72.3	-36.2	0	0	0	111.4
28	S	41.6	Very low	45.8	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	66%	0.661	S	S	*	*	S	Bend	trans	-158.8	105.8	166.4	-177.3	0	0	0	0	111.3	D26 N30	D26-S28 PolarHBondContact O-N 2.85Å; S28-N30 PolarHBondContact O-N 3.35Å
29	V	40.8	Very low	46.5	Very low	144 Å²	144	119.5 Å²	119.5	87%	0.873	64%	0.638	S	S	*	*	S	Bend	trans	55.5	-0.8	155.6	-153.5	0	0	0	0	119.9	Q31	V29-Q31 PolarHBondContact O-N 2.88Å
30	N	41.8	Very low	47.3	Very low	133 Å²	133	118.6 Å²	118.6	71%	0.711	63%	0.628	S	S	*	*			trans	-101.8	72.5	178.9	-81.3	-30.5	0	0	0	113.5	S28 A32	S28-N30 PolarHBondContact O-N 3.35Å; N30-A32 PolarHBondContact O-N 3.41Å; N30-A32 VanDerWaalsContact O-N 3.1Å
31	Q	40.3	Very low	48.5	Very low	193 Å²	193	111.6 Å²	111.6	90%	0.902	61%	0.608	S	S	*	*			trans	-79.4	52.4	155.4	-81.6	-171.3	-11.1	0	0	110.5	V29 L33	V29-Q31 PolarHBondContact O-N 2.88Å; Q31-L33 VanDerWaalsContact C-N 3.31Å; Q31-L33 PolarHBondContact O-N 2.94Å
32	A	49.1	Very low	49.7	Very low	80 Å²	80	111.5 Å²	111.5	66%	0.661	61%	0.61	S	S	*	*			trans	-69.1	98.5	163.1	0	0	0	0	0	106.6	N30 K34	N30-A32 PolarHBondContact O-N 3.41Å; N30-A32 VanDerWaalsContact O-N 3.1Å; A32-K34 PolarHBondContact O-N 3.23Å
33	L	45.8	Very low	51.2	Low	95 Å²	95	107.1 Å²	107.1	50%	0.497	58%	0.584	S	S	.	*			trans	-46.7	134.2	172.4	-75.2	164.5	0	0	0	108.8	Q31 W38	Q31-L33 VanDerWaalsContact C-N 3.31Å; Q31-L33 PolarHBondContact O-N 2.94Å; L33-W38 HydrophobicContact CB-CZ2 3.79Å; L33-W38 HydrophobicContact CD1-CZ2 4.43Å
34	K	53.4	Low	52.5	Low	120 Å²	120	105.5 Å²	105.5	52%	0.522	56%	0.562	S	S	.	*			trans	-61.8	140.8	179.9	-66.1	179.8	-179.6	177.2	0	108.1	A32 S36 Q37	A32-K34 PolarHBondContact O-N 3.23Å; K34-S36 PolarHBondContact O-N 3.45Å; K34-Q37 HydrophobicContact CB-CG 4.16Å; K34-Q37 WeakPolarHBondContact O-CA 3.29Å; K34-Q37 VanDerWaalsContact O-CB 3.25Å; K34-Q37 WeakPolarHBondContact O-CB 3.29Å; K34-Q37 PolarHBondContact O-N 3.34Å
35	P	52.3	Low	54.2	Low	23 Å²	23	101.4 Å²	101.4	15%	0.149	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-52.3	-33.5	176	-31	37.7	0	0	0	113.9	A17 Q37 W38 L39 I79	A17-P35 HydrophobicContact CB-CB 3.55Å; A17-P35 HydrophobicContact CB-CG 4.05Å; P35-Q37 PolarHBondContact O-N 3.29Å; P35-W38 WeakPolarHBondContact O-CB 3.36Å; P35-W38 PolarHBondContact O-N 2.85Å; P35-L39 PolarHBondContact O-N 3.49Å; P35-L39 VanDerWaalsContact O-N 3.07Å; P35-I79 HydrophobicContact CB-CD1 3.51Å; P35-I79 HydrophobicContact CB-CG1 4.37Å; P35-I79 HydrophobicContact CG-CB 4.49Å; P35-I79 HydrophobicContact CG-CD1 3.34Å; P35-I79 HydrophobicContact CG-CG1 3.72Å; P35-I79 HydrophobicContact CG-CG2 3.88Å
36	S	52.5	Low	56	Low	63 Å²	63	97.3 Å²	97.3	44%	0.441	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-66.1	-13.3	174.1	69.9	0	0	0	0	114.7	K34 L39	K34-S36 PolarHBondContact O-N 3.45Å; S36-L39 CarbonylContact C-O 3.58Å
37	Q	57.9	Low	57.5	Low	122 Å²	122	90.8 Å²	90.8	57%	0.57	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-89.4	-12.9	171.9	-63.6	176.2	-49	0	0	111.7	K34 P35	K34-Q37 HydrophobicContact CB-CG 4.16Å; K34-Q37 WeakPolarHBondContact O-CA 3.29Å; K34-Q37 VanDerWaalsContact O-CB 3.25Å; K34-Q37 WeakPolarHBondContact O-CB 3.29Å; K34-Q37 PolarHBondContact O-N 3.34Å; P35-Q37 PolarHBondContact O-N 3.29Å
38	W	65.1	Low	59.3	Low	126 Å²	126	83.5 Å²	83.5	48%	0.477	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-31.3	177.6	-63.1	-9.9	0	0	0	112.5	L33 P35 H75	L33-W38 HydrophobicContact CB-CZ2 3.79Å; L33-W38 HydrophobicContact CD1-CZ2 4.43Å; P35-W38 WeakPolarHBondContact O-CB 3.36Å; P35-W38 PolarHBondContact O-N 2.85Å; W38-H75 HydrophobicContact CE3-CB 4.5Å; W38-H75 HydrophobicContact CZ3-CB 4.45Å
39	L	65	Low	60.5	Low	20 Å²	20	80.8 Å²	80.8	11%	0.105	46%	0.455	C	S	.	.	S	Bend	trans	-135.1	131.9	178.7	-64.9	168.8	0	0	0	110	P35 S36 Q43 L44 I47 Q72 L76	P35-L39 PolarHBondContact O-N 3.49Å; P35-L39 VanDerWaalsContact O-N 3.07Å; S36-L39 CarbonylContact C-O 3.58Å; L39-Q43 HydrophobicContact CB-CB 4.23Å; L39-Q43 HydrophobicContact CD2-CB 4.13Å; L39-L44 HydrophobicContact CB-CD2 3.97Å; L39-L44 HydrophobicContact CB-CG 3.98Å; L39-L44 HydrophobicContact CD1-CD2 3.71Å; L39-I47 HydrophobicContact CD1-CD1 4.15Å; L39-Q72 HydrophobicContact CD1-CB 4.5Å; L39-Q72 HydrophobicContact CD1-CG 4.31Å; L39-Q72 HydrophobicContact CD2-CG 3.97Å; L39-L76 HydrophobicContact CD1-CD2 4.31Å; L39-L76 HydrophobicContact CD1-CG 4.4Å
40	S	70	Confident	61.7	Low	48 Å²	48	74.5 Å²	74.5	34%	0.336	42%	0.416	S	S	.	.			trans	-64.6	157.6	169.6	71.1	0	0	0	0	110.6	S42 Q43 L44	S40-S42 PolarHBondContact O-N 3.22Å; S40-S42 PolarHBondContact OG-OG 3.23Å; S40-Q43 WeakPolarHBondContact O-CA 3.2Å; S40-Q43 WeakPolarHBondContact O-CB 3.26Å; S40-Q43 PolarHBondContact O-N 2.89Å; S40-Q43 WeakPolarHBondContact OG-CB 3.3Å; S40-Q43 VanDerWaalsContact OG-CG 3.25Å; S40-Q43 WeakPolarHBondContact OG-CG 3.21Å; S40-Q43 PolarHBondContact OG-N 3.29Å; S40-Q43 PolarHBondContact OG-OE1 3.23Å; S40-L44 PolarHBondContact O-N 3Å
41	G	71.6	Confident	62.7	Low	40 Å²	40	73.3 Å²	73.3	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-54	-41.6	174	0	0	0	0	0	112.3	Q43 L44 E45	G41-Q43 VanDerWaalsContact C-N 3.34Å; G41-Q43 PolarHBondContact O-N 3.32Å; G41-L44 PolarHBondContact O-N 3.44Å; G41-E45 WeakPolarHBondContact O-CG 3.01Å; G41-E45 PolarHBondContact O-N 2.66Å
42	S	72.1	Confident	64	Low	82 Å²	82	68.1 Å²	68.1	57%	0.573	39%	0.388	S	S	*	.	H	α-helix	trans	-64.4	-34.1	175	55	0	0	0	0	113.7	S40 A46	S40-S42 PolarHBondContact O-N 3.22Å; S40-S42 PolarHBondContact OG-OG 3.23Å; S42-A46 WeakPolarHBondContact O-CB 3.26Å; S42-A46 PolarHBondContact O-N 3.35Å
43	Q	71.6	Confident	65.3	Low	79 Å²	79	64.5 Å²	64.5	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-42.1	174	-77.2	172.6	-46.2	0	0	110.7	L39 S40 G41 A46 I47	L39-Q43 HydrophobicContact CB-CB 4.23Å; L39-Q43 HydrophobicContact CD2-CB 4.13Å; S40-Q43 WeakPolarHBondContact O-CA 3.2Å; S40-Q43 WeakPolarHBondContact O-CB 3.26Å; S40-Q43 PolarHBondContact O-N 2.89Å; S40-Q43 WeakPolarHBondContact OG-CB 3.3Å; S40-Q43 VanDerWaalsContact OG-CG 3.25Å; S40-Q43 WeakPolarHBondContact OG-CG 3.21Å; S40-Q43 PolarHBondContact OG-N 3.29Å; S40-Q43 PolarHBondContact OG-OE1 3.23Å; G41-Q43 VanDerWaalsContact C-N 3.34Å; G41-Q43 PolarHBondContact O-N 3.32Å; Q43-A46 PolarHBondContact O-N 3.18Å; Q43-I47 WeakPolarHBondContact O-CG1 3.43Å; Q43-I47 PolarHBondContact O-N 3.04Å
44	L	69.5	Low	67.1	Low	19 Å²	19	62.8 Å²	62.8	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-43.7	176.5	-69.5	171.2	0	0	0	112	L39 S40 G41 A46 I47 L76	L39-L44 HydrophobicContact CB-CD2 3.97Å; L39-L44 HydrophobicContact CB-CG 3.98Å; L39-L44 HydrophobicContact CD1-CD2 3.71Å; S40-L44 PolarHBondContact O-N 3Å; G41-L44 PolarHBondContact O-N 3.44Å; L44-A46 PolarHBondContact O-N 3.33Å; L44-I47 HydrophobicContact CD2-CD1 4.26Å; L44-I47 PolarHBondContact O-N 2.73Å; L44-L76 HydrophobicContact CD2-CD1 4.22Å; L44-L76 HydrophobicContact CD2-CD2 3.82Å
45	E	70	Confident	68.6	Low	171 Å²	171	58 Å²	58	80%	0.799	33%	0.331	S	S	*	.	H	α-helix	trans	-64.4	-27.5	177.1	-73.2	173	-172.7	0	0	112.9	G41	G41-E45 WeakPolarHBondContact O-CG 3.01Å; G41-E45 PolarHBondContact O-N 2.66Å
46	A	74.3	Confident	70.2	Confident	66 Å²	66	63.3 Å²	63.3	55%	0.545	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.9	178.7	0	0	0	0	0	114	S42 Q43 L44	S42-A46 WeakPolarHBondContact O-CB 3.26Å; S42-A46 PolarHBondContact O-N 3.35Å; Q43-A46 PolarHBondContact O-N 3.18Å; L44-A46 PolarHBondContact O-N 3.33Å
47	I	70	Confident	71.9	Confident	20 Å²	20	64.9 Å²	64.9	10%	0.103	35%	0.35	C	S	.	.	S	Bend	trans	-72.5	124.7	177.3	-60.3	174	0	0	0	108.2	L10 L39 Q43 L44 F53 Q72 V73 L76	L10-I47 HydrophobicContact CD1-CG2 3.95Å; L10-I47 HydrophobicContact CD2-CG2 3.99Å; L39-I47 HydrophobicContact CD1-CD1 4.15Å; Q43-I47 WeakPolarHBondContact O-CG1 3.43Å; Q43-I47 PolarHBondContact O-N 3.04Å; L44-I47 HydrophobicContact CD2-CD1 4.26Å; L44-I47 PolarHBondContact O-N 2.73Å; I47-F53 HydrophobicContact CG2-CE2 4.3Å; I47-F53 HydrophobicContact CG2-CZ 4.22Å; I47-Q72 HydrophobicContact CD1-CB 4.2Å; I47-V73 HydrophobicContact CG2-CG2 4.5Å; I47-L76 HydrophobicContact CD1-CD1 3.45Å; I47-L76 VanDerWaalsContact CD1-CD1 3.45Å
48	P	69.8	Low	73.5	Confident	19 Å²	19	59.1 Å²	59.1	12%	0.123	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-57.2	158.4	178.4	-21.2	32.3	0	0	0	112.3	L10 D52 F53 L69	L10-P48 WeakPolarHBondContact CD1-O 3.21Å; P48-D52 HydrophobicContact CB-CB 3.83Å; P48-F53 HydrophobicContact CB-CD2 4.31Å; P48-F53 HydrophobicContact CB-CE2 3.86Å; P48-F53 HydrophobicContact CB-CZ 4.5Å; P48-F53 HydrophobicContact CG-CE2 4.17Å; P48-F53 HydrophobicContact CG-CZ 4.32Å; P48-F53 WeakPolarHBondContact O-CE2 3.21Å; P48-L69 HydrophobicContact CG-CD1 4.47Å
49	A	68.2	Low	74.7	Confident	34 Å²	34	54.9 Å²	54.9	28%	0.281	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-63.8	153.6	169.2	0	0	0	0	0	109.8	D51 D52 F53	A49-D51 PolarHBondContact O-N 3.08Å; A49-D51 VanDerWaalsContact O-N 3.11Å; A49-D52 PolarHBondContact N-OD2 3.01Å; A49-D52 WeakPolarHBondContact O-CA 3.2Å; A49-D52 WeakPolarHBondContact O-CB 3.34Å; A49-D52 PolarHBondContact O-N 3.46Å; A49-F53 VanDerWaalsContact O-CD2 3.3Å; A49-F53 WeakPolarHBondContact O-CD2 3.5Å
50	L	64.7	Low	76	Confident	12 Å²	12	60 Å²	60	6%	0.063	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.6	-179.3	-165	72.7	0	0	0	111.9	L9 L10 D52 F53 Y216 E217	L9-L50 HydrophobicContact CB-CD2 4.08Å; L9-L50 HydrophobicContact CD1-CD2 4.23Å; L10-L50 HydrophobicContact CD1-CB 4.38Å; L10-L50 HydrophobicContact CD1-CD1 4.37Å; L50-D52 PolarHBondContact O-N 2.94Å; L50-F53 WeakPolarHBondContact O-CB 3.49Å; L50-F53 PolarHBondContact O-N 3.34Å; L50-F53 VanDerWaalsContact O-N 3.13Å; L50-Y216 HydrophobicContact CD1-CD1 3.43Å; L50-Y216 VanDerWaalsContact CD1-CD1 3.43Å; L50-Y216 HydrophobicContact CD1-CE1 3.46Å; L50-Y216 VanDerWaalsContact CD1-CE1 3.46Å; L50-Y216 HydrophobicContact CG-CD1 4Å; L50-Y216 HydrophobicContact CG-CE1 4.5Å; L50-E217 HydrophobicContact CD2-CB 4.11Å; L50-E217 HydrophobicContact CD2-CG 4.21Å
51	D	64	Low	77.1	Confident	107 Å²	107	59.4 Å²	59.4	57%	0.572	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.5	-23.5	178.1	-60.2	-23.2	0	0	0	112.8	A49 F53	A49-D51 PolarHBondContact O-N 3.08Å; A49-D51 VanDerWaalsContact O-N 3.11Å; D51-F53 VanDerWaalsContact C-N 3.3Å
52	D	67.4	Low	78.3	Confident	84 Å²	84	62.5 Å²	62.5	45%	0.449	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-85.4	-3.9	176.2	-54.8	-38.8	0	0	0	112.8	P48 A49 L50 T54 R57	P48-D52 HydrophobicContact CB-CB 3.83Å; A49-D52 PolarHBondContact N-OD2 3.01Å; A49-D52 WeakPolarHBondContact O-CA 3.2Å; A49-D52 WeakPolarHBondContact O-CB 3.34Å; A49-D52 PolarHBondContact O-N 3.46Å; L50-D52 PolarHBondContact O-N 2.94Å; D52-T54 PolarHBondContact O-N 3.44Å; D52-R57 VanDerWaalsContact CB-NH1 3.28Å; D52-R57 WeakPolarHBondContact O-CD 3.28Å; D52-R57 PolarHBondContact O-NH1 3.15Å
53	F	76.7	Confident	79.4	Confident	5 Å²	5	59.6 Å²	59.6	2%	0.022	31%	0.314	C	S	.	.			trans	-84.3	92.9	171.9	-78.1	-96.7	0	0	0	108.9	L10 I47 P48 A49 L50 D51 L69 V73 Y216	L10-F53 HydrophobicContact CD1-CD2 4.44Å; L10-F53 HydrophobicContact CD1-CE2 3.86Å; I47-F53 HydrophobicContact CG2-CE2 4.3Å; I47-F53 HydrophobicContact CG2-CZ 4.22Å; P48-F53 HydrophobicContact CB-CD2 4.31Å; P48-F53 HydrophobicContact CB-CE2 3.86Å; P48-F53 HydrophobicContact CB-CZ 4.5Å; P48-F53 HydrophobicContact CG-CE2 4.17Å; P48-F53 HydrophobicContact CG-CZ 4.32Å; P48-F53 WeakPolarHBondContact O-CE2 3.21Å; A49-F53 VanDerWaalsContact O-CD2 3.3Å; A49-F53 WeakPolarHBondContact O-CD2 3.5Å; L50-F53 WeakPolarHBondContact O-CB 3.49Å; L50-F53 PolarHBondContact O-N 3.34Å; L50-F53 VanDerWaalsContact O-N 3.13Å; D51-F53 VanDerWaalsContact C-N 3.3Å; F53-L69 HydrophobicContact CD1-CD2 4.14Å; F53-L69 HydrophobicContact CE1-CD1 4.2Å; F53-L69 HydrophobicContact CE1-CD2 3.28Å; F53-L69 HydrophobicContact CE1-CG 3.42Å; F53-L69 VanDerWaalsContact CE1-CG 3.42Å; F53-L69 HydrophobicContact CZ-CD1 3.84Å; F53-L69 HydrophobicContact CZ-CD2 3.67Å; F53-L69 HydrophobicContact CZ-CG 3.6Å; F53-V73 HydrophobicContact CD1-CG2 4.42Å; F53-V73 HydrophobicContact CE1-CG2 3.53Å; F53-V73 HydrophobicContact CE2-CG2 3.88Å; F53-V73 HydrophobicContact CZ-CG2 3.22Å; F53-Y216 HydrophobicContact CB-CD1 3.76Å; F53-Y216 HydrophobicContact CB-CD2 4.34Å; F53-Y216 HydrophobicContact CB-CE1 4.36Å; F53-Y216 HydrophobicContact CB-CG 3.75Å; F53-Y216 HydrophobicContact CG-CD1 4.37Å; F53-Y216 WeakPolarHBondContact O-CB 3.42Å
54	T	82.6	Confident	80.6	Confident	59 Å²	59	61.5 Å²	61.5	36%	0.362	32%	0.322	S	S	.	.			trans	-107.6	151.6	170.7	69.8	0	0	0	0	110.4	D52 E56 R57 L58	D52-T54 PolarHBondContact O-N 3.44Å; T54-E56 PolarHBondContact O-N 3.32Å; T54-R57 WeakPolarHBondContact O-CB 3.41Å; T54-R57 PolarHBondContact O-N 3.23Å; T54-R57 VanDerWaalsContact O-N 3.13Å; T54-R57 WeakPolarHBondContact OG1-CB 3.39Å; T54-R57 PolarHBondContact OG1-N 2.85Å; T54-L58 PolarHBondContact O-N 2.85Å
55	I	84.6	Confident	81.7	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-40.1	172.2	-70.6	-69.2	0	0	0	110.6	R57 L58 E59 L133 P134 M316 V343	I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 2.7Å; I55-L58 HydrophobicContact CD1-CD1 4.39Å; I55-L58 CarbonylContact O-C 3.58Å; I55-L58 WeakPolarHBondContact O-CB 3.36Å; I55-L58 PolarHBondContact O-N 2.93Å; I55-L58 VanDerWaalsContact O-N 3.1Å; I55-E59 HydrophobicContact CG2-CG 4.36Å; I55-E59 WeakPolarHBondContact O-CG 3.47Å; I55-E59 PolarHBondContact O-N 3.01Å; I55-L133 HydrophobicContact CD1-CD2 4.35Å; I55-P134 HydrophobicContact CD1-CG 4.44Å; I55-P134 HydrophobicContact CG1-CB 4.2Å; I55-P134 HydrophobicContact CG1-CG 3.65Å; I55-M316 HydrophobicContact CD1-CE 4.13Å; I55-V343 HydrophobicContact CG2-CG1 4.41Å; I55-V343 HydrophobicContact CG2-CG2 4.2Å
56	E	86.6	Confident	82.9	Confident	134 Å²	134	57.4 Å²	57.4	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-57.6	-42.3	175.6	-179.7	179.2	-174.7	0	0	111.6	T54 E59 N60	T54-E56 PolarHBondContact O-N 3.32Å; E56-E59 PolarHBondContact O-N 3.47Å; E56-N60 PolarHBondContact O-N 2.96Å; E56-N60 VanDerWaalsContact O-N 3.09Å; E56-N60 PolarHBondContact O-ND2 3.31Å
57	R	88.3	Confident	83.8	Confident	97 Å²	97	54.5 Å²	54.5	37%	0.366	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-42.1	175.7	-164.2	-173.4	178.1	175.2	0	111.5	D52 T54 I55 E59 N60 M61	D52-R57 VanDerWaalsContact CB-NH1 3.28Å; D52-R57 WeakPolarHBondContact O-CD 3.28Å; D52-R57 PolarHBondContact O-NH1 3.15Å; T54-R57 WeakPolarHBondContact O-CB 3.41Å; T54-R57 PolarHBondContact O-N 3.23Å; T54-R57 VanDerWaalsContact O-N 3.13Å; T54-R57 WeakPolarHBondContact OG1-CB 3.39Å; T54-R57 PolarHBondContact OG1-N 2.85Å; I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 2.7Å; R57-E59 VanDerWaalsContact C-N 3.32Å; R57-E59 PolarHBondContact O-N 2.94Å; R57-N60 PolarHBondContact O-N 3.43Å; R57-M61 HydrophobicContact CG-CE 3.57Å; R57-M61 VanDerWaalsContact NE-CE 3.27Å; R57-M61 WeakPolarHBondContact O-CG 3.31Å; R57-M61 PolarHBondContact O-N 2.9Å
58	L	90.9	Very high	84.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-33.4	176.3	-68	173.4	0	0	0	112.7	T54 I55 N60 L70 V342 V343	T54-L58 PolarHBondContact O-N 2.85Å; I55-L58 HydrophobicContact CD1-CD1 4.39Å; I55-L58 CarbonylContact O-C 3.58Å; I55-L58 WeakPolarHBondContact O-CB 3.36Å; I55-L58 PolarHBondContact O-N 2.93Å; I55-L58 VanDerWaalsContact O-N 3.1Å; L58-N60 VanDerWaalsContact C-N 3.32Å; L58-L70 HydrophobicContact CD1-CD1 4.44Å; L58-L70 HydrophobicContact CD1-CD2 4.07Å; L58-L70 HydrophobicContact CD2-CD1 4.35Å; L58-L70 HydrophobicContact CD2-CD2 4.33Å; L58-L70 HydrophobicContact CD2-CG 4.15Å; L58-V342 HydrophobicContact CB-CG2 3.96Å; L58-V342 HydrophobicContact CD2-CG2 4.23Å; L58-V342 HydrophobicContact CG-CG2 4.5Å; L58-V343 HydrophobicContact CB-CG2 3.95Å
59	E	90.9	Very high	85.8	Confident	36 Å²	36	56.7 Å²	56.7	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-67.6	-33.3	173.4	-74	-172.7	123.8	0	0	112.5	I55 E56 R57 S137 T139 N341 V343	I55-E59 HydrophobicContact CG2-CG 4.36Å; I55-E59 WeakPolarHBondContact O-CG 3.47Å; I55-E59 PolarHBondContact O-N 3.01Å; E56-E59 PolarHBondContact O-N 3.47Å; R57-E59 VanDerWaalsContact C-N 3.32Å; R57-E59 PolarHBondContact O-N 2.94Å; E59-S137 VanDerWaalsContact CD-OG 3.22Å; E59-S137 WeakPolarHBondContact OE1-CB 3.33Å; E59-S137 PolarHBondContact OE1-OG 2.7Å; E59-S137 WeakPolarHBondContact OE2-CB 3.48Å; E59-S137 PolarHBondContact OE2-OG 3.27Å; E59-T139 WeakPolarHBondContact OE1-CB 3.3Å; E59-T139 PolarHBondContact OE1-OG1 3.1Å; E59-N341 PolarHBondContact O-ND2 3.38Å; E59-V343 HydrophobicContact CG-CB 3.73Å; E59-V343 HydrophobicContact CG-CG1 3.92Å; E59-V343 HydrophobicContact CG-CG2 3.74Å
60	N	92.2	Very high	86.8	Confident	129 Å²	129	55.7 Å²	55.7	69%	0.69	27%	0.272	S	S	*	.	H	α-helix	trans	-87.6	-8.6	-179.7	-70.3	-42.2	0	0	0	113.7	E56 R57 L58	E56-N60 PolarHBondContact O-N 2.96Å; E56-N60 VanDerWaalsContact O-N 3.09Å; E56-N60 PolarHBondContact O-ND2 3.31Å; R57-N60 PolarHBondContact O-N 3.43Å; L58-N60 VanDerWaalsContact C-N 3.32Å
61	M	93.3	Very high	88	Confident	35 Å²	35	59.1 Å²	59.1	17%	0.172	29%	0.288	C	S	.	.	S	Bend	trans	-85.8	144.3	170.6	-71.9	-169.3	-152	0	0	110.8	R57 R65 L69 N341	R57-M61 HydrophobicContact CG-CE 3.57Å; R57-M61 VanDerWaalsContact NE-CE 3.27Å; R57-M61 WeakPolarHBondContact O-CG 3.31Å; R57-M61 PolarHBondContact O-N 2.9Å; M61-R65 HydrophobicContact SD-CG 4.25Å; M61-L69 HydrophobicContact CE-CD2 3.75Å; M61-L69 HydrophobicContact SD-CD2 4.02Å; M61-N341 WeakPolarHBondContact O-CB 3.27Å
62	N	95.9	Very high	88.9	Confident	104 Å²	104	55 Å²	55	56%	0.556	27%	0.265	S	S	*	.			trans	-61.2	153.2	167.7	71.7	59.8	0	0	0	110.6	E64 R65 G66	N62-E64 PolarHBondContact O-N 3.42Å; N62-E64 PolarHBondContact OD1-N 3.44Å; N62-R65 PolarHBondContact O-N 3.44Å; N62-R65 VanDerWaalsContact OD1-CB 3.29Å; N62-R65 WeakPolarHBondContact OD1-CB 3.5Å; N62-R65 PolarHBondContact OD1-N 3.37Å; N62-G66 PolarHBondContact O-N 3.21Å
63	L	96.5	Very high	89.7	Confident	22 Å²	22	51.2 Å²	51.2	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-48	-52.4	-174.6	-179.1	63.9	0	0	0	113.6	G66 A67 A334 S340 V342 A345	L63-G66 PolarHBondContact O-N 2.99Å; L63-A67 VanDerWaalsContact O-CB 3.32Å; L63-A67 WeakPolarHBondContact O-CB 3.36Å; L63-A67 PolarHBondContact O-N 3.47Å; L63-A334 HydrophobicContact CD1-CB 4.49Å; L63-A334 HydrophobicContact CD2-CB 4.47Å; L63-A334 HydrophobicContact CG-CB 4.2Å; L63-S340 PolarHBondContact N-O 3.21Å; L63-V342 HydrophobicContact CD1-CG1 3.94Å; L63-V342 WeakPolarHBondContact O-CG1 3.42Å; L63-A345 HydrophobicContact CD1-CB 3.91Å
64	E	95.9	Very high	90.2	Very high	119 Å²	119	52.8 Å²	52.8	56%	0.556	25%	0.251	S	S	*	.	H	α-helix	trans	-71.2	-38.3	-172.3	-49.4	-54.5	-167.3	0	0	112.5	N62 A67 E68 A334	N62-E64 PolarHBondContact O-N 3.42Å; N62-E64 PolarHBondContact OD1-N 3.44Å; E64-A67 PolarHBondContact O-N 3Å; E64-E68 WeakPolarHBondContact O-CB 3.32Å; E64-E68 PolarHBondContact O-N 3.38Å; E64-A334 WeakPolarHBondContact OE2-CB 3.48Å
65	R	93.5	Very high	90.2	Very high	104 Å²	104	53.2 Å²	53.2	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-66.1	-41.2	175.2	-175.5	56.1	178.5	166.6	2.9	111.6	M61 N62 E68 L69	M61-R65 HydrophobicContact SD-CG 4.25Å; N62-R65 PolarHBondContact O-N 3.44Å; N62-R65 VanDerWaalsContact OD1-CB 3.29Å; N62-R65 WeakPolarHBondContact OD1-CB 3.5Å; N62-R65 PolarHBondContact OD1-N 3.37Å; R65-E68 IonicContact CZ-OE2 3.47Å; R65-E68 IonicContact NH1-OE1 3.9Å; R65-E68 IonicContact NH1-OE2 3.89Å; R65-E68 PolarHBondContact NH1-OE2 2.85Å; R65-L69 WeakPolarHBondContact O-CB 3.5Å; R65-L69 PolarHBondContact O-N 3.44Å; R65-L69 VanDerWaalsContact O-N 3.11Å
66	G	94	Very high	90	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-41.4	175.5	0	0	0	0	0	112.2	N62 L63 L69 L70	N62-G66 PolarHBondContact O-N 3.21Å; L63-G66 PolarHBondContact O-N 2.99Å; G66-L69 PolarHBondContact O-N 3.32Å; G66-L70 WeakPolarHBondContact O-CB 3.18Å; G66-L70 WeakPolarHBondContact O-CG 3.37Å; G66-L70 PolarHBondContact O-N 2.91Å
67	A	94.7	Very high	89.6	Confident	5 Å²	5	46.3 Å²	46.3	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-47.9	179.6	0	0	0	0	0	111.8	L63 E64 L69 L70 Q71 A334 V342	L63-A67 VanDerWaalsContact O-CB 3.32Å; L63-A67 WeakPolarHBondContact O-CB 3.36Å; L63-A67 PolarHBondContact O-N 3.47Å; E64-A67 PolarHBondContact O-N 3Å; A67-L69 VanDerWaalsContact C-N 3.3Å; A67-L69 PolarHBondContact O-N 2.73Å; A67-L70 PolarHBondContact O-N 3.29Å; A67-Q71 VanDerWaalsContact O-CB 3.3Å; A67-Q71 WeakPolarHBondContact O-CB 3.44Å; A67-Q71 PolarHBondContact O-N 2.63Å; A67-A334 HydrophobicContact CB-CB 3.78Å; A67-V342 HydrophobicContact CB-CG1 4.02Å; A67-V342 VanDerWaalsContact N-CG1 3.34Å
68	E	91.6	Very high	89.2	Confident	81 Å²	81	43.3 Å²	43.3	38%	0.379	21%	0.207	S	C	.	.	H	α-helix	trans	-55.7	-46.9	175.5	-174.7	-169.9	-169.7	0	0	111	E64 R65 Q71 Q72	E64-E68 WeakPolarHBondContact O-CB 3.32Å; E64-E68 PolarHBondContact O-N 3.38Å; R65-E68 IonicContact CZ-OE2 3.47Å; R65-E68 IonicContact NH1-OE1 3.9Å; R65-E68 IonicContact NH1-OE2 3.89Å; R65-E68 PolarHBondContact NH1-OE2 2.85Å; E68-Q71 WeakPolarHBondContact O-CB 3.38Å; E68-Q71 PolarHBondContact O-N 2.53Å; E68-Q72 WeakPolarHBondContact O-CG 3.02Å; E68-Q72 PolarHBondContact O-N 2.76Å
69	L	88.8	Confident	88.3	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-45.4	-178.8	-171.4	71.5	0	0	0	112.2	P48 F53 M61 R65 G66 A67 Q71 Q72 V73	P48-L69 HydrophobicContact CG-CD1 4.47Å; F53-L69 HydrophobicContact CD1-CD2 4.14Å; F53-L69 HydrophobicContact CE1-CD1 4.2Å; F53-L69 HydrophobicContact CE1-CD2 3.28Å; F53-L69 HydrophobicContact CE1-CG 3.42Å; F53-L69 VanDerWaalsContact CE1-CG 3.42Å; F53-L69 HydrophobicContact CZ-CD1 3.84Å; F53-L69 HydrophobicContact CZ-CD2 3.67Å; F53-L69 HydrophobicContact CZ-CG 3.6Å; M61-L69 HydrophobicContact CE-CD2 3.75Å; M61-L69 HydrophobicContact SD-CD2 4.02Å; R65-L69 WeakPolarHBondContact O-CB 3.5Å; R65-L69 PolarHBondContact O-N 3.44Å; R65-L69 VanDerWaalsContact O-N 3.11Å; G66-L69 PolarHBondContact O-N 3.32Å; A67-L69 VanDerWaalsContact C-N 3.3Å; A67-L69 PolarHBondContact O-N 2.73Å; L69-Q71 VanDerWaalsContact C-N 3.3Å; L69-Q71 PolarHBondContact O-N 3.28Å; L69-Q72 PolarHBondContact O-N 3.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.43Å; L69-V73 PolarHBondContact O-N 2.77Å
70	L	89.8	Confident	87.4	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-37.3	175.9	-75.3	170.3	0	0	0	112.1	L58 G66 A67 V73 Y74 Y216 M316 V342	L58-L70 HydrophobicContact CD1-CD1 4.44Å; L58-L70 HydrophobicContact CD1-CD2 4.07Å; L58-L70 HydrophobicContact CD2-CD1 4.35Å; L58-L70 HydrophobicContact CD2-CD2 4.33Å; L58-L70 HydrophobicContact CD2-CG 4.15Å; G66-L70 WeakPolarHBondContact O-CB 3.18Å; G66-L70 WeakPolarHBondContact O-CG 3.37Å; G66-L70 PolarHBondContact O-N 2.91Å; A67-L70 PolarHBondContact O-N 3.29Å; L70-V73 PolarHBondContact O-N 3.37Å; L70-Y74 WeakPolarHBondContact O-CB 3.27Å; L70-Y74 PolarHBondContact O-N 3.19Å; L70-Y216 HydrophobicContact CD2-CE2 4.12Å; L70-M316 HydrophobicContact CD1-CB 4.46Å; L70-M316 HydrophobicContact CD1-CG 3.47Å; L70-M316 VanDerWaalsContact CD1-CG 3.47Å; L70-V342 HydrophobicContact CD1-CB 4.14Å; L70-V342 HydrophobicContact CD1-CG1 4.29Å; L70-V342 HydrophobicContact CD1-CG2 3.81Å
71	Q	88.8	Confident	86.4	Confident	83 Å²	83	47.7 Å²	47.7	39%	0.388	22%	0.223	S	C	.	.	H	α-helix	trans	-64.8	-41.9	175.7	180	170.7	2	0	0	111.4	A67 E68 L69 Y74 H75	A67-Q71 VanDerWaalsContact O-CB 3.3Å; A67-Q71 WeakPolarHBondContact O-CB 3.44Å; A67-Q71 PolarHBondContact O-N 2.63Å; E68-Q71 WeakPolarHBondContact O-CB 3.38Å; E68-Q71 PolarHBondContact O-N 2.53Å; L69-Q71 VanDerWaalsContact C-N 3.3Å; L69-Q71 PolarHBondContact O-N 3.28Å; Q71-Y74 PolarHBondContact O-N 3.2Å; Q71-H75 VanDerWaalsContact CG-CD2 3.45Å; Q71-H75 WeakPolarHBondContact CG-CD2 3.1Å; Q71-H75 WeakPolarHBondContact CG-NE2 3.21Å; Q71-H75 PolarHBondContact O-CD2 2.87Å; Q71-H75 PolarHBondContact O-N 2.73Å
72	Q	84.7	Confident	85.5	Confident	20 Å²	20	50.8 Å²	50.8	9%	0.093	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.5	-72.1	173.2	-11.8	0	0	111.5	L39 I47 E68 L69 Y74 H75 L76	L39-Q72 HydrophobicContact CD1-CB 4.5Å; L39-Q72 HydrophobicContact CD1-CG 4.31Å; L39-Q72 HydrophobicContact CD2-CG 3.97Å; I47-Q72 HydrophobicContact CD1-CB 4.2Å; E68-Q72 WeakPolarHBondContact O-CG 3.02Å; E68-Q72 PolarHBondContact O-N 2.76Å; L69-Q72 PolarHBondContact O-N 3.43Å; Q72-Y74 VanDerWaalsContact C-N 3.34Å; Q72-Y74 PolarHBondContact O-N 3.34Å; Q72-H75 PolarHBondContact O-N 3.12Å; Q72-L76 WeakPolarHBondContact O-CB 3.5Å; Q72-L76 VanDerWaalsContact O-CG 3.28Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.27Å
73	V	82.8	Confident	84.8	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-45.1	177.9	174.7	0	0	0	0	111.5	L10 I47 F53 L69 L70 L76 S77 Y216	L10-V73 HydrophobicContact CD1-CG2 4.48Å; L10-V73 HydrophobicContact CD2-CG2 4.48Å; I47-V73 HydrophobicContact CG2-CG2 4.5Å; F53-V73 HydrophobicContact CD1-CG2 4.42Å; F53-V73 HydrophobicContact CE1-CG2 3.53Å; F53-V73 HydrophobicContact CE2-CG2 3.88Å; F53-V73 HydrophobicContact CZ-CG2 3.22Å; L69-V73 WeakPolarHBondContact O-CG2 3.43Å; L69-V73 PolarHBondContact O-N 2.77Å; L70-V73 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 3.25Å; V73-S77 PolarHBondContact O-N 3.35Å; V73-Y216 HydrophobicContact CG1-CE1 4.06Å; V73-Y216 WeakPolarHBondContact CG1-OH 3.47Å
74	Y	86.7	Confident	84.4	Confident	38 Å²	38	50.4 Å²	50.4	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-54.4	177.3	175.6	-102.7	0	0	0	111.2	L70 Q71 Q72 L76 S77 Q78 K286 I287	L70-Y74 WeakPolarHBondContact O-CB 3.27Å; L70-Y74 PolarHBondContact O-N 3.19Å; Q71-Y74 PolarHBondContact O-N 3.2Å; Q72-Y74 VanDerWaalsContact C-N 3.34Å; Q72-Y74 PolarHBondContact O-N 3.34Å; Y74-L76 VanDerWaalsContact C-N 3.3Å; Y74-L76 PolarHBondContact O-N 3.19Å; Y74-S77 WeakPolarHBondContact O-CB 3.46Å; Y74-S77 PolarHBondContact O-N 3.25Å; Y74-S77 PolarHBondContact O-OG 3.06Å; Y74-Q78 HydrophobicContact CD1-CG 4.44Å; Y74-Q78 HydrophobicContact CE1-CG 4.04Å; Y74-Q78 HydrophobicContact CE2-CG 4.12Å; Y74-Q78 WeakPolarHBondContact O-CG 3.27Å; Y74-Q78 PolarHBondContact O-N 3.14Å; Y74-K286 HydrophobicContact CD1-CD 4.1Å; Y74-K286 HydrophobicContact CD2-CB 3.62Å; Y74-K286 HydrophobicContact CD2-CD 4.18Å; Y74-K286 HydrophobicContact CD2-CG 4.31Å; Y74-K286 HydrophobicContact CE2-CB 3.76Å; Y74-K286 HydrophobicContact CE2-CG 4.37Å; Y74-K286 HydrophobicContact CG-CB 4.22Å; Y74-K286 HydrophobicContact CG-CD 3.91Å; Y74-I287 WeakPolarHBondContact CE2-O 3.07Å
75	H	83.5	Confident	84.2	Confident	69 Å²	69	45.6 Å²	45.6	32%	0.319	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-39.5	-178.5	-73.9	-52.9	0	0	0	112.5	W38 Q71 Q72 S77 Q78	W38-H75 HydrophobicContact CE3-CB 4.5Å; W38-H75 HydrophobicContact CZ3-CB 4.45Å; Q71-H75 VanDerWaalsContact CG-CD2 3.45Å; Q71-H75 WeakPolarHBondContact CG-CD2 3.1Å; Q71-H75 WeakPolarHBondContact CG-NE2 3.21Å; Q71-H75 PolarHBondContact O-CD2 2.87Å; Q71-H75 PolarHBondContact O-N 2.73Å; Q72-H75 PolarHBondContact O-N 3.12Å; H75-S77 VanDerWaalsContact C-N 3.34Å; H75-S77 PolarHBondContact O-N 3.25Å; H75-Q78 PolarHBondContact O-N 2.99Å
76	L	79.5	Confident	84.1	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-45.7	173.9	-73	177	0	0	0	111.5	L10 L13 L39 L44 I47 Q72 V73 Y74 Q78 I79	L10-L76 HydrophobicContact CD2-CB 4.4Å; L10-L76 HydrophobicContact CD2-CD1 3.52Å; L13-L76 HydrophobicContact CB-CB 4.31Å; L13-L76 HydrophobicContact CD1-CB 4.11Å; L13-L76 VanDerWaalsContact CD2-O 3.23Å; L13-L76 WeakPolarHBondContact CD2-O 3.41Å; L39-L76 HydrophobicContact CD1-CD2 4.31Å; L39-L76 HydrophobicContact CD1-CG 4.4Å; L44-L76 HydrophobicContact CD2-CD1 4.22Å; L44-L76 HydrophobicContact CD2-CD2 3.82Å; I47-L76 HydrophobicContact CD1-CD1 3.45Å; I47-L76 VanDerWaalsContact CD1-CD1 3.45Å; Q72-L76 WeakPolarHBondContact O-CB 3.5Å; Q72-L76 VanDerWaalsContact O-CG 3.28Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.27Å; V73-L76 PolarHBondContact O-N 3.25Å; Y74-L76 VanDerWaalsContact C-N 3.3Å; Y74-L76 PolarHBondContact O-N 3.19Å; L76-Q78 PolarHBondContact O-N 2.77Å; L76-I79 HydrophobicContact CB-CD1 4.47Å; L76-I79 HydrophobicContact CD2-CD1 3.59Å; L76-I79 WeakPolarHBondContact O-CB 3.14Å; L76-I79 VanDerWaalsContact O-CG1 3.32Å; L76-I79 WeakPolarHBondContact O-CG1 3.15Å; L76-I79 PolarHBondContact O-N 2.95Å
77	S	78.8	Confident	84.2	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-25.1	179.5	73.4	0	0	0	0	114.1	V73 Y74 H75 I79 V83 V288	V73-S77 PolarHBondContact O-N 3.35Å; Y74-S77 WeakPolarHBondContact O-CB 3.46Å; Y74-S77 PolarHBondContact O-N 3.25Å; Y74-S77 PolarHBondContact O-OG 3.06Å; H75-S77 VanDerWaalsContact C-N 3.34Å; H75-S77 PolarHBondContact O-N 3.25Å; S77-I79 VanDerWaalsContact C-N 3.32Å; S77-V83 WeakPolarHBondContact O-CG2 3.37Å; S77-V288 VanDerWaalsContact CB-CG1 3.44Å; S77-V288 WeakPolarHBondContact OG-CG1 3.49Å
78	Q	81.1	Confident	84.3	Confident	33 Å²	33	50.4 Å²	50.4	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-81.5	-12.1	178.6	-58.4	-48	-70.5	0	0	112.7	Y74 H75 L76 H80 H81 V288	Y74-Q78 HydrophobicContact CD1-CG 4.44Å; Y74-Q78 HydrophobicContact CE1-CG 4.04Å; Y74-Q78 HydrophobicContact CE2-CG 4.12Å; Y74-Q78 WeakPolarHBondContact O-CG 3.27Å; Y74-Q78 PolarHBondContact O-N 3.14Å; H75-Q78 PolarHBondContact O-N 2.99Å; L76-Q78 PolarHBondContact O-N 2.77Å; Q78-H80 PolarHBondContact O-N 3.27Å; Q78-H81 PolarHBondContact O-N 3.26Å; Q78-H81 VanDerWaalsContact O-N 3.13Å; Q78-H81 PolarHBondContact O-ND1 3.26Å; Q78-V288 PolarHBondContact NE2-O 2.99Å
79	I	72.2	Confident	84.6	Confident	18 Å²	18	46.6 Å²	46.6	9%	0.092	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.9	124.3	179.1	-59.1	168.6	0	0	0	109.3	A17 P35 L76 S77 H81	A17-I79 HydrophobicContact CB-CD1 4.15Å; P35-I79 HydrophobicContact CB-CD1 3.51Å; P35-I79 HydrophobicContact CB-CG1 4.37Å; P35-I79 HydrophobicContact CG-CB 4.49Å; P35-I79 HydrophobicContact CG-CD1 3.34Å; P35-I79 HydrophobicContact CG-CG1 3.72Å; P35-I79 HydrophobicContact CG-CG2 3.88Å; L76-I79 HydrophobicContact CB-CD1 4.47Å; L76-I79 HydrophobicContact CD2-CD1 3.59Å; L76-I79 WeakPolarHBondContact O-CB 3.14Å; L76-I79 VanDerWaalsContact O-CG1 3.32Å; L76-I79 WeakPolarHBondContact O-CG1 3.15Å; L76-I79 PolarHBondContact O-N 2.95Å; S77-I79 VanDerWaalsContact C-N 3.32Å; I79-H81 PolarHBondContact O-N 3.34Å
80	H	70.5	Confident	84.9	Confident	115 Å²	115	50.8 Å²	50.8	53%	0.532	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	60.4	2.5	-174.7	-56.1	-64.6	0	0	0	116.5	Q78 N82	Q78-H80 PolarHBondContact O-N 3.27Å; H80-N82 VanDerWaalsContact CB-ND2 3.35Å; H80-N82 WeakPolarHBondContact CB-ND2 3.32Å; H80-N82 PolarHBondContact O-N 3.39Å; H80-N82 VanDerWaalsContact O-N 3.16Å; H80-N82 PolarHBondContact O-OD1 2.82Å
81	H	71.6	Confident	85.1	Confident	126 Å²	126	52 Å²	52	58%	0.583	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	49.5	38.8	-176.7	-53.3	-66.7	0	0	0	113.3	Q78 I79 K292	Q78-H81 PolarHBondContact O-N 3.26Å; Q78-H81 VanDerWaalsContact O-N 3.13Å; Q78-H81 PolarHBondContact O-ND1 3.26Å; I79-H81 PolarHBondContact O-N 3.34Å; H81-K292 WeakPolarHBondContact O-CE 3.37Å
82	N	74	Confident	85.5	Confident	99 Å²	99	48 Å²	48	53%	0.529	26%	0.256	S	S	.	.			trans	-96.4	-5.8	-176	-76	-23.5	0	0	0	113.7	H80 E84 K292	H80-N82 VanDerWaalsContact CB-ND2 3.35Å; H80-N82 WeakPolarHBondContact CB-ND2 3.32Å; H80-N82 PolarHBondContact O-N 3.39Å; H80-N82 VanDerWaalsContact O-N 3.16Å; H80-N82 PolarHBondContact O-OD1 2.82Å; N82-E84 PolarHBondContact O-N 2.96Å; N82-K292 PolarHBondContact OD1-NZ 3.36Å
83	V	80.9	Confident	86.1	Confident	13 Å²	13	50 Å²	50	8%	0.079	27%	0.265	C	S	.	.			trans	-83.6	98.6	177.5	-175.2	0	0	0	0	108.9	L9 L13 S77 M221 A289 K290	L9-V83 HydrophobicContact CD2-CG1 4.04Å; L9-V83 HydrophobicContact CD2-CG2 3.88Å; L13-V83 HydrophobicContact CD1-CG2 4.48Å; L13-V83 HydrophobicContact CD2-CG2 4.09Å; S77-V83 WeakPolarHBondContact O-CG2 3.37Å; V83-M221 HydrophobicContact CG1-CE 3.57Å; V83-M221 HydrophobicContact CG1-SD 3.65Å; V83-A289 HydrophobicContact CG1-CB 3.8Å; V83-A289 WeakPolarHBondContact O-CA 3.19Å; V83-K290 PolarHBondContact O-N 3.18Å
84	E	88.2	Confident	86.8	Confident	105 Å²	105	49.8 Å²	49.8	49%	0.491	26%	0.264	S	S	.	.			trans	-94.3	144.3	176.7	-68.3	-175.8	177.5	0	0	111.2	N82	N82-E84 PolarHBondContact O-N 2.96Å
85	P	92.4	Very high	87.3	Confident	18 Å²	18	49 Å²	49	12%	0.117	26%	0.26	C	S	.	.			trans	-66.9	140.3	177.4	29	-34.7	0	0	0	110.4	M221 D223 A289 S291	P85-M221 WeakPolarHBondContact CA-O 3.48Å; P85-D223 HydrophobicContact CB-CB 3.9Å; P85-D223 HydrophobicContact CG-CB 4.39Å; P85-A289 HydrophobicContact CB-CB 4.16Å; P85-S291 WeakPolarHBondContact CG-OG 3.38Å
86	N	92	Very high	87.9	Confident	111 Å²	111	46.1 Å²	46.1	59%	0.594	25%	0.248	S	C	*	.			trans	-134.5	0.9	-176.8	71.3	11.8	0	0	0	113.7	M221	N86-M221 PolarHBondContact N-O 3.42Å; N86-M221 WeakPolarHBondContact OD1-CB 3.16Å
87	Y	95.8	Very high	88.6	Confident	39 Å²	39	46.4 Å²	46.4	15%	0.153	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-117.5	118.5	-175.1	-179.4	-117.1	0	0	0	112.2	P89 K212 L213 R218 M221 L222 D223	Y87-P89 HydrophobicContact CD1-CG 4.26Å; Y87-P89 HydrophobicContact CE1-CB 4.4Å; Y87-P89 HydrophobicContact CE1-CG 3.69Å; Y87-K212 PolarHBondContact OH-O 3.31Å; Y87-L213 HydrophobicContact CD1-CD2 4.48Å; Y87-L213 HydrophobicContact CE1-CD2 4.01Å; Y87-R218 HydrophobicContact CD1-CB 3.76Å; Y87-R218 HydrophobicContact CD1-CG 3.98Å; Y87-R218 VanDerWaalsContact CD1-O 3.28Å; Y87-R218 WeakPolarHBondContact CD1-O 3.47Å; Y87-R218 HydrophobicContact CD2-CG 4.11Å; Y87-R218 HydrophobicContact CE1-CB 3.62Å; Y87-R218 HydrophobicContact CE1-CG 3.78Å; Y87-R218 HydrophobicContact CE2-CG 3.96Å; Y87-R218 HydrophobicContact CG-CB 4.32Å; Y87-R218 HydrophobicContact CG-CG 4.12Å; Y87-M221 PolarHBondContact N-O 3.44Å; Y87-L222 HydrophobicContact CD1-CD1 4.09Å; Y87-D223 PolarHBondContact O-N 3.44Å
88	V	97.1	Very high	89.1	Confident	61 Å²	61	50.6 Å²	50.6	37%	0.37	27%	0.268	S	S	.	.			trans	-117.9	115.7	171.3	-177.7	0	0	0	0	108.7	S90 D223 K226	V88-S90 PolarHBondContact O-N 3.47Å; V88-D223 HydrophobicContact CG2-CB 3.8Å; V88-K226 HydrophobicContact CG1-CB 4.4Å; V88-K226 HydrophobicContact CG2-CB 3.81Å; V88-K226 HydrophobicContact CG2-CD 3.91Å; V88-K226 HydrophobicContact CG2-CG 4.49Å
89	P	96.5	Very high	89.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.29	C	S	.	.			trans	-65.6	133.9	-178.7	-20.7	31.2	0	0	0	113.9	Y87 I92 L209 K212 L222 T227 K230	Y87-P89 HydrophobicContact CD1-CG 4.26Å; Y87-P89 HydrophobicContact CE1-CB 4.4Å; Y87-P89 HydrophobicContact CE1-CG 3.69Å; P89-I92 HydrophobicContact CB-CD1 4.06Å; P89-I92 HydrophobicContact CB-CG1 3.88Å; P89-L209 HydrophobicContact CB-CD1 4.22Å; P89-L209 HydrophobicContact CG-CD1 3.65Å; P89-K212 HydrophobicContact CB-CB 3.87Å; P89-K212 HydrophobicContact CB-CG 4.14Å; P89-K212 HydrophobicContact CG-CB 4.38Å; P89-L222 HydrophobicContact CG-CD1 3.68Å; P89-T227 VanDerWaalsContact CD-OG1 3.31Å; P89-T227 WeakPolarHBondContact CD-OG1 3.47Å; P89-T227 HydrophobicContact CG-CG2 4.43Å; P89-K230 PolarHBondContact O-NZ 3.24Å
90	S	94.9	Very high	89.7	Confident	92 Å²	92	58 Å²	58	64%	0.643	31%	0.313	S	S	*	.			trans	-105.6	155.5	170.3	66	0	0	0	0	111.5	V88 I92 K212	V88-S90 PolarHBondContact O-N 3.47Å; S90-I92 VanDerWaalsContact C-N 3.32Å; S90-I92 PolarHBondContact O-N 2.78Å; S90-K212 VanDerWaalsContact O-CE 3.31Å; S90-K212 WeakPolarHBondContact O-CE 3.45Å; S90-K212 PolarHBondContact O-NZ 3.44Å
91	G	94.8	Very high	90.3	Very high	37 Å²	37	55.5 Å²	55.5	38%	0.381	32%	0.32	S	S	.	.	S	Bend	trans	52.9	43.4	179.2	0	0	0	0	0	114.3	Q93 K212	G91-Q93 PolarHBondContact O-N 2.75Å; G91-Q93 PolarHBondContact O-OE1 3.05Å; G91-K212 WeakPolarHBondContact O-CE 3.48Å; G91-K212 PolarHBondContact O-NZ 2.94Å
92	I	97.2	Very high	91.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	32%	0.316	C	S	.	.			trans	-63.2	127.2	175.8	-58.8	165.4	0	0	0	107.8	P89 S90 L108 I207 L209 K212 T227	P89-I92 HydrophobicContact CB-CD1 4.06Å; P89-I92 HydrophobicContact CB-CG1 3.88Å; S90-I92 VanDerWaalsContact C-N 3.32Å; S90-I92 PolarHBondContact O-N 2.78Å; I92-L108 HydrophobicContact CB-CD1 3.85Å; I92-L108 HydrophobicContact CB-CG 4.38Å; I92-L108 HydrophobicContact CD1-CD1 4.1Å; I92-L108 HydrophobicContact CG1-CD1 4.48Å; I92-L108 HydrophobicContact CG2-CD1 4.41Å; I92-L108 PolarHBondContact O-N 3.43Å; I92-L108 VanDerWaalsContact O-N 3.14Å; I92-I207 HydrophobicContact CG2-CG2 3.65Å; I92-L209 HydrophobicContact CD1-CD1 4.28Å; I92-K212 HydrophobicContact CG1-CG 4.32Å; I92-T227 HydrophobicContact CD1-CG2 4.5Å
93	Q	97.2	Very high	92.1	Very high	62 Å²	62	54.4 Å²	54.4	29%	0.29	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	143.3	176.5	-61.5	-58.7	97.2	0	0	109.8	G91 V105 D208	G91-Q93 PolarHBondContact O-N 2.75Å; G91-Q93 PolarHBondContact O-OE1 3.05Å; Q93-V105 HydrophobicContact CB-CG1 4.49Å; Q93-D208 PolarHBondContact O-N 2.8Å
94	V	98.2	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.2	171.4	-172.4	0	0	0	0	107.4	V105 A106 L108 M111 I205 V206 I207 W234	V94-V105 WeakPolarHBondContact O-CA 3.45Å; V94-A106 PolarHBondContact N-O 2.95Å; V94-A106 PolarHBondContact O-N 2.89Å; V94-A106 VanDerWaalsContact O-O 3.05Å; V94-L108 HydrophobicContact CG2-CB 4.38Å; V94-L108 HydrophobicContact CG2-CD2 3.37Å; V94-L108 HydrophobicContact CG2-CG 3.65Å; V94-M111 VanDerWaalsContact C-CE 3.45Å; V94-M111 HydrophobicContact CB-CB 4.27Å; V94-M111 HydrophobicContact CB-CE 3.74Å; V94-M111 HydrophobicContact CB-CG 4.14Å; V94-M111 HydrophobicContact CG1-CE 3.86Å; V94-M111 HydrophobicContact CG1-CG 3.91Å; V94-M111 WeakPolarHBondContact O-CE 3.27Å; V94-I205 HydrophobicContact CG1-CG2 3.31Å; V94-V206 CarbonylContact C-O 3.57Å; V94-V206 VanDerWaalsContact CA-O 3.26Å; V94-V206 WeakPolarHBondContact CA-O 3.42Å; V94-V206 WeakPolarHBondContact CG1-O 3.46Å; V94-I207 HydrophobicContact CG1-CG1 4.41Å; V94-I207 HydrophobicContact CG2-CG1 4.27Å; V94-W234 HydrophobicContact CG1-CH2 4.48Å
95	Y	97.4	Very high	93.3	Very high	21 Å²	21	53.6 Å²	53.6	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.7	170.2	72.7	-101.1	0	0	0	113.4	K103 T104 V206	Y95-K103 HydrophobicContact CD2-CB 4.38Å; Y95-K103 HydrophobicContact CD2-CD 3.64Å; Y95-K103 HydrophobicContact CD2-CG 4.04Å; Y95-K103 HydrophobicContact CE2-CD 3.94Å; Y95-K103 HydrophobicContact CG-CD 4.01Å; Y95-T104 CarbonylContact C-O 3.49Å; Y95-T104 WeakPolarHBondContact CA-O 3.31Å; Y95-T104 WeakPolarHBondContact CB-O 3.43Å; Y95-V206 HydrophobicContact CD1-CB 3.95Å; Y95-V206 HydrophobicContact CD1-CG1 4.25Å; Y95-V206 HydrophobicContact CD2-CB 4.03Å; Y95-V206 HydrophobicContact CD2-CG2 4.17Å; Y95-V206 HydrophobicContact CE1-CB 3.54Å; Y95-V206 HydrophobicContact CE1-CG1 3.49Å; Y95-V206 VanDerWaalsContact CE1-CG1 3.49Å; Y95-V206 HydrophobicContact CE1-CG2 4.22Å; Y95-V206 HydrophobicContact CE2-CB 3.6Å; Y95-V206 HydrophobicContact CE2-CG1 4.29Å; Y95-V206 HydrophobicContact CE2-CG2 3.44Å; Y95-V206 VanDerWaalsContact CE2-CG2 3.44Å; Y95-V206 HydrophobicContact CG-CB 4.19Å; Y95-V206 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V206 PolarHBondContact N-O 3.13Å; Y95-V206 PolarHBondContact O-N 2.92Å
96	V	96.7	Very high	93.5	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.3	172.8	179.6	0	0	0	0	107.5	K103 T104 M111 L115 I205	V96-K103 CarbonylContact O-C 3.26Å; V96-K103 WeakPolarHBondContact O-CA 3.41Å; V96-T104 PolarHBondContact N-O 3.28Å; V96-T104 PolarHBondContact O-N 2.62Å; V96-M111 HydrophobicContact CG2-CE 4.32Å; V96-M111 HydrophobicContact CG2-SD 3.98Å; V96-L115 HydrophobicContact CG2-CD2 3.74Å; V96-I205 HydrophobicContact CG2-CG1 4.29Å
97	P	94.2	Very high	93.7	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.071	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	147.9	176.9	31.6	-36.1	0	0	0	111.1	V148 M152 I204	P97-V148 HydrophobicContact CB-CG1 3.79Å; P97-V148 HydrophobicContact CG-CG1 3.75Å; P97-M152 HydrophobicContact CB-CG 4.39Å; P97-M152 HydrophobicContact CB-SD 4.05Å; P97-M152 HydrophobicContact CG-CG 4.25Å; P97-M152 HydrophobicContact CG-SD 3.72Å; P97-I204 WeakPolarHBondContact CD-O 3.35Å; P97-I204 HydrophobicContact CG-CB 4.38Å; P97-I204 HydrophobicContact CG-CG1 4.28Å; P97-I204 HydrophobicContact CG-CG2 3.34Å
98	K	88.6	Confident	93.7	Very high	91 Å²	91	47.5 Å²	47.5	40%	0.396	29%	0.286	S	S	.	.			trans	-112.2	153.7	177.1	-63.6	-177	-177.2	178.5	0	110.6	N100 G101 D102 T104 M152	K98-N100 VanDerWaalsContact CB-OD1 3.22Å; K98-N100 WeakPolarHBondContact CB-OD1 3.38Å; K98-N100 PolarHBondContact O-N 2.95Å; K98-N100 VanDerWaalsContact O-N 3.14Å; K98-G101 PolarHBondContact O-N 3Å; K98-D102 HydrophobicContact CB-CB 4.44Å; K98-D102 WeakPolarHBondContact CB-O 3.41Å; K98-D102 HydrophobicContact CD-CB 4.18Å; K98-D102 PolarHBondContact N-O 3.23Å; K98-T104 WeakPolarHBondContact CE-OG1 3.2Å; K98-M152 VanDerWaalsContact C-CE 3.43Å
99	P	82.8	Confident	93.5	Very high	95 Å²	95	50.3 Å²	50.3	62%	0.617	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.3	-179.8	-27.6	35.9	0	0	0	114.8	G101 M152	P99-G101 PolarHBondContact O-N 2.92Å; P99-M152 HydrophobicContact CB-CE 4.4Å; P99-M152 HydrophobicContact CG-CE 4.06Å
100	N	82.7	Confident	93.5	Very high	111 Å²	111	54.4 Å²	54.4	59%	0.594	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	0.1	178.8	70.4	-15.7	0	0	0	114.2	K98 D102	K98-N100 VanDerWaalsContact CB-OD1 3.22Å; K98-N100 WeakPolarHBondContact CB-OD1 3.38Å; K98-N100 PolarHBondContact O-N 2.95Å; K98-N100 VanDerWaalsContact O-N 3.14Å; N100-D102 PolarHBondContact ND2-OD2 3.1Å; N100-D102 VanDerWaalsContact OD1-CB 3.32Å; N100-D102 WeakPolarHBondContact OD1-CB 3.38Å; N100-D102 PolarHBondContact OD1-N 3.27Å
101	G	82.4	Confident	93.6	Very high	64 Å²	64	50 Å²	50	66%	0.66	29%	0.287	S	S	*	.	S	Bend	trans	93.8	-11.8	-177.3	0	0	0	0	0	114.8	K98 P99	K98-G101 PolarHBondContact O-N 3Å; P99-G101 PolarHBondContact O-N 2.92Å
102	D	91	Very high	93.7	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	27%	0.269	S	S	.	.			trans	-72.8	171.8	174.2	-67.7	-32.3	0	0	0	111.8	K98 N100	K98-D102 HydrophobicContact CB-CB 4.44Å; K98-D102 WeakPolarHBondContact CB-O 3.41Å; K98-D102 HydrophobicContact CD-CB 4.18Å; K98-D102 PolarHBondContact N-O 3.23Å; N100-D102 PolarHBondContact ND2-OD2 3.1Å; N100-D102 VanDerWaalsContact OD1-CB 3.32Å; N100-D102 WeakPolarHBondContact OD1-CB 3.38Å; N100-D102 PolarHBondContact OD1-N 3.27Å
103	K	94.2	Very high	93.6	Very high	107 Å²	107	53 Å²	53	47%	0.465	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.6	176.2	-60.4	174	-179	-175	0	110.2	Y95 V96 V105	Y95-K103 HydrophobicContact CD2-CB 4.38Å; Y95-K103 HydrophobicContact CD2-CD 3.64Å; Y95-K103 HydrophobicContact CD2-CG 4.04Å; Y95-K103 HydrophobicContact CE2-CD 3.94Å; Y95-K103 HydrophobicContact CG-CD 4.01Å; V96-K103 CarbonylContact O-C 3.26Å; V96-K103 WeakPolarHBondContact O-CA 3.41Å; K103-V105 HydrophobicContact CB-CG2 3.98Å
104	T	95.6	Very high	93.6	Very high	33 Å²	33	55.4 Å²	55.4	20%	0.202	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.5	159.9	-60.7	0	0	0	0	107.4	Y95 V96 K98 R114	Y95-T104 CarbonylContact C-O 3.49Å; Y95-T104 WeakPolarHBondContact CA-O 3.31Å; Y95-T104 WeakPolarHBondContact CB-O 3.43Å; V96-T104 PolarHBondContact N-O 3.28Å; V96-T104 PolarHBondContact O-N 2.62Å; K98-T104 WeakPolarHBondContact CE-OG1 3.2Å; T104-R114 HydrophobicContact CG2-CB 4.11Å; T104-R114 VanDerWaalsContact CG2-CD 3.48Å; T104-R114 HydrophobicContact CG2-CG 4.42Å
105	V	97.1	Very high	93.4	Very high	68 Å²	68	55.6 Å²	55.6	41%	0.412	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.2	-178.8	-173.3	0	0	0	0	109.6	Q93 V94 K103	Q93-V105 HydrophobicContact CB-CG1 4.49Å; V94-V105 WeakPolarHBondContact O-CA 3.45Å; K103-V105 HydrophobicContact CB-CG2 3.98Å
106	A	97.6	Very high	93.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.7	174.2	0	0	0	0	0	111.4	V94 E110 M111	V94-A106 PolarHBondContact N-O 2.95Å; V94-A106 PolarHBondContact O-N 2.89Å; V94-A106 VanDerWaalsContact O-O 3.05Å; A106-E110 HydrophobicContact CB-CB 4.14Å; A106-M111 HydrophobicContact CB-CB 4.37Å; A106-M111 HydrophobicContact CB-CE 3.89Å; A106-M111 HydrophobicContact CB-SD 4.49Å
107	P	96.9	Very high	93.1	Very high	29 Å²	29	66.7 Å²	66.7	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	153.4	162.9	-22.9	34.6	0	0	0	111.9	N109 E110 M111	P107-N109 VanDerWaalsContact C-N 3.29Å; P107-N109 VanDerWaalsContact CB-OD1 3.22Å; P107-N109 WeakPolarHBondContact CB-OD1 3.35Å; P107-N109 PolarHBondContact O-N 2.86Å; P107-E110 PolarHBondContact O-N 3.26Å; P107-M111 PolarHBondContact O-N 2.96Å
108	L	94.4	Very high	92.8	Very high	11 Å²	11	70.2 Å²	70.2	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-44.8	-50.7	177.2	-81.9	165.2	0	0	0	112.9	I92 V94 E110 M111 I207 W234	I92-L108 HydrophobicContact CB-CD1 3.85Å; I92-L108 HydrophobicContact CB-CG 4.38Å; I92-L108 HydrophobicContact CD1-CD1 4.1Å; I92-L108 HydrophobicContact CG1-CD1 4.48Å; I92-L108 HydrophobicContact CG2-CD1 4.41Å; I92-L108 PolarHBondContact O-N 3.43Å; I92-L108 VanDerWaalsContact O-N 3.14Å; V94-L108 HydrophobicContact CG2-CB 4.38Å; V94-L108 HydrophobicContact CG2-CD2 3.37Å; V94-L108 HydrophobicContact CG2-CG 3.65Å; L108-E110 PolarHBondContact O-N 2.8Å; L108-E110 VanDerWaalsContact O-N 3.14Å; L108-M111 PolarHBondContact O-N 2.87Å; L108-I207 HydrophobicContact CD2-CD1 4.4Å; L108-W234 HydrophobicContact CB-CG 4.42Å; L108-W234 HydrophobicContact CD2-CB 4.33Å; L108-W234 HydrophobicContact CD2-CD2 3.42Å; L108-W234 VanDerWaalsContact CD2-CD2 3.42Å; L108-W234 HydrophobicContact CD2-CE3 3.79Å; L108-W234 HydrophobicContact CD2-CG 3.65Å; L108-W234 HydrophobicContact CD2-CZ2 4.27Å; L108-W234 HydrophobicContact CD2-CZ3 4.36Å; L108-W234 VanDerWaalsContact O-CD1 3.31Å; L108-W234 PolarHBondContact O-NE1 3.34Å
109	N	92.4	Very high	92.7	Very high	119 Å²	119	73.7 Å²	73.7	64%	0.636	38%	0.381	S	S	*	.	H	α-helix	trans	-66.1	-14.5	-176.4	61.4	-53.6	0	0	0	114.7	P107	P107-N109 VanDerWaalsContact C-N 3.29Å; P107-N109 VanDerWaalsContact CB-OD1 3.22Å; P107-N109 WeakPolarHBondContact CB-OD1 3.35Å; P107-N109 PolarHBondContact O-N 2.86Å
110	E	96.5	Very high	92.8	Very high	87 Å²	87	73.6 Å²	73.6	41%	0.407	38%	0.375	S	S	.	.	H	α-helix	trans	-107.7	-18.5	177.8	-69.6	176.3	-152	0	0	112.8	A106 P107 L108 I112 Q113	A106-E110 HydrophobicContact CB-CB 4.14Å; P107-E110 PolarHBondContact O-N 3.26Å; L108-E110 PolarHBondContact O-N 2.8Å; L108-E110 VanDerWaalsContact O-N 3.14Å; E110-I112 VanDerWaalsContact C-N 3.34Å; E110-I112 PolarHBondContact O-N 3.41Å; E110-Q113 PolarHBondContact O-N 2.85Å
111	M	97.4	Very high	93.2	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-39.5	-172.6	-178	54.7	77.5	0	0	112.4	V94 V96 A106 P107 L108 Q113 R114 L115 W234	V94-M111 VanDerWaalsContact C-CE 3.45Å; V94-M111 HydrophobicContact CB-CB 4.27Å; V94-M111 HydrophobicContact CB-CE 3.74Å; V94-M111 HydrophobicContact CB-CG 4.14Å; V94-M111 HydrophobicContact CG1-CE 3.86Å; V94-M111 HydrophobicContact CG1-CG 3.91Å; V94-M111 WeakPolarHBondContact O-CE 3.27Å; V96-M111 HydrophobicContact CG2-CE 4.32Å; V96-M111 HydrophobicContact CG2-SD 3.98Å; A106-M111 HydrophobicContact CB-CB 4.37Å; A106-M111 HydrophobicContact CB-CE 3.89Å; A106-M111 HydrophobicContact CB-SD 4.49Å; P107-M111 PolarHBondContact O-N 2.96Å; L108-M111 PolarHBondContact O-N 2.87Å; M111-Q113 VanDerWaalsContact C-N 3.26Å; M111-Q113 PolarHBondContact O-N 2.88Å; M111-R114 WeakPolarHBondContact O-CA 3.27Å; M111-R114 WeakPolarHBondContact O-CB 3.44Å; M111-R114 PolarHBondContact O-N 2.84Å; M111-R114 HydrophobicContact SD-CB 4.27Å; M111-L115 HydrophobicContact CG-CD1 4.14Å; M111-L115 HydrophobicContact CG-CG 4.12Å; M111-L115 WeakPolarHBondContact O-CG 2.96Å; M111-L115 PolarHBondContact O-N 2.82Å; M111-L115 HydrophobicContact SD-CD2 4.33Å; M111-L115 HydrophobicContact SD-CG 4.25Å; M111-W234 HydrophobicContact CB-CZ2 4.1Å; M111-W234 HydrophobicContact CG-CZ2 4.07Å
112	I	96.9	Very high	93.5	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-57.8	-40.1	-179.5	-64.2	170.2	0	0	0	111.2	E110 R114 L115 K116 W234 Q237 M238 E241	E110-I112 VanDerWaalsContact C-N 3.34Å; E110-I112 PolarHBondContact O-N 3.41Å; I112-R114 VanDerWaalsContact C-N 3.27Å; I112-R114 PolarHBondContact O-N 2.95Å; I112-L115 PolarHBondContact O-N 3.03Å; I112-K116 WeakPolarHBondContact O-CG 3.2Å; I112-K116 PolarHBondContact O-N 2.79Å; I112-W234 HydrophobicContact CG1-CZ2 4.43Å; I112-Q237 HydrophobicContact CD1-CB 3.83Å; I112-Q237 HydrophobicContact CD1-CG 3.6Å; I112-M238 HydrophobicContact CD1-CB 3.99Å; I112-M238 HydrophobicContact CG1-CB 3.99Å; I112-M238 HydrophobicContact CG1-CG 4.34Å; I112-E241 HydrophobicContact CG2-CB 3.87Å; I112-E241 HydrophobicContact CG2-CG 4.46Å
113	Q	96	Very high	93.4	Very high	99 Å²	99	67.8 Å²	67.8	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-31.3	177.1	-61.4	-53.6	-44.3	0	0	112.6	E110 M111 E241	E110-Q113 PolarHBondContact O-N 2.85Å; M111-Q113 VanDerWaalsContact C-N 3.26Å; M111-Q113 PolarHBondContact O-N 2.88Å; Q113-E241 PolarHBondContact NE2-OE2 3.45Å
114	R	95.9	Very high	93.2	Very high	111 Å²	111	66.2 Å²	66.2	42%	0.419	32%	0.322	S	S	.	.	H	α-helix	trans	-75.2	-34.8	174.1	-58.7	-167.9	-177.5	-125.9	6.2	112.1	T104 M111 I112 Q117	T104-R114 HydrophobicContact CG2-CB 4.11Å; T104-R114 VanDerWaalsContact CG2-CD 3.48Å; T104-R114 HydrophobicContact CG2-CG 4.42Å; M111-R114 WeakPolarHBondContact O-CA 3.27Å; M111-R114 WeakPolarHBondContact O-CB 3.44Å; M111-R114 PolarHBondContact O-N 2.84Å; M111-R114 HydrophobicContact SD-CB 4.27Å; I112-R114 VanDerWaalsContact C-N 3.27Å; I112-R114 PolarHBondContact O-N 2.95Å; R114-Q117 PolarHBondContact O-N 3.47Å
115	L	95.8	Very high	93	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-39.9	176	-65.9	176.7	0	0	0	111.4	V96 M111 I112 Q117 K118 F121 I205 M238 L242	V96-L115 HydrophobicContact CG2-CD2 3.74Å; M111-L115 HydrophobicContact CG-CD1 4.14Å; M111-L115 HydrophobicContact CG-CG 4.12Å; M111-L115 WeakPolarHBondContact O-CG 2.96Å; M111-L115 PolarHBondContact O-N 2.82Å; M111-L115 HydrophobicContact SD-CD2 4.33Å; M111-L115 HydrophobicContact SD-CG 4.25Å; I112-L115 PolarHBondContact O-N 3.03Å; L115-Q117 PolarHBondContact O-N 2.79Å; L115-Q117 VanDerWaalsContact O-N 3.1Å; L115-K118 WeakPolarHBondContact O-CB 3.41Å; L115-K118 PolarHBondContact O-N 3.39Å; L115-F121 HydrophobicContact CB-CD1 4.27Å; L115-F121 HydrophobicContact CB-CE1 4.46Å; L115-F121 HydrophobicContact CD1-CE1 3.98Å; L115-F121 HydrophobicContact CD1-CZ 4.06Å; L115-F121 HydrophobicContact CD2-CD1 4.36Å; L115-F121 HydrophobicContact CD2-CD2 3.84Å; L115-F121 HydrophobicContact CD2-CE1 4.14Å; L115-F121 HydrophobicContact CD2-CE2 3.53Å; L115-F121 HydrophobicContact CD2-CG 4.25Å; L115-F121 HydrophobicContact CD2-CZ 3.75Å; L115-F121 HydrophobicContact CG-CE1 4.42Å; L115-F121 HydrophobicContact CG-CZ 4.43Å; L115-I205 HydrophobicContact CD1-CD1 3.81Å; L115-I205 HydrophobicContact CD2-CD1 4.46Å; L115-M238 HydrophobicContact CD1-CG 4.08Å; L115-M238 HydrophobicContact CD1-SD 3.76Å; L115-L242 HydrophobicContact CB-CD1 3.8Å; L115-L242 HydrophobicContact CB-CD2 4.33Å; L115-L242 HydrophobicContact CD1-CD1 4Å
116	K	94.3	Very high	93	Very high	98 Å²	98	62.4 Å²	62.4	43%	0.426	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.7	174	-73	-177.1	-177.6	-172.4	0	114.5	I112 K118 E241 L242	I112-K116 WeakPolarHBondContact O-CG 3.2Å; I112-K116 PolarHBondContact O-N 2.79Å; K116-K118 VanDerWaalsContact C-N 3.35Å; K116-E241 WeakPolarHBondContact CE-O 3.44Å; K116-E241 WeakPolarHBondContact CE-OE2 3.35Å; K116-E241 IonicContact NZ-OE2 2.68Å; K116-E241 PolarHBondContact NZ-OE2 3.28Å; K116-L242 HydrophobicContact CB-CD2 4.31Å; K116-L242 HydrophobicContact CG-CD2 3.45Å; K116-L242 VanDerWaalsContact CG-CD2 3.45Å
117	Q	91.6	Very high	93	Very high	165 Å²	165	62.4 Å²	62.4	77%	0.771	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.2	179.4	-62.9	173.5	3.9	0	0	112.7	R114 L115	R114-Q117 PolarHBondContact O-N 3.47Å; L115-Q117 PolarHBondContact O-N 2.79Å; L115-Q117 VanDerWaalsContact O-N 3.1Å
118	K	89.5	Confident	93.1	Very high	84 Å²	84	61 Å²	61	37%	0.365	29%	0.288	S	S	.	.	S	Bend	trans	-89.9	117.4	179.5	-177.1	175.8	154.3	84.3	0	108.6	L115 K116 N120 F121 D203	L115-K118 WeakPolarHBondContact O-CB 3.41Å; L115-K118 PolarHBondContact O-N 3.39Å; K116-K118 VanDerWaalsContact C-N 3.35Å; K118-N120 PolarHBondContact O-N 3.35Å; K118-F121 HydrophobicContact CB-CB 4.13Å; K118-F121 HydrophobicContact CD-CB 4.21Å; K118-F121 HydrophobicContact CD-CD2 3.77Å; K118-F121 HydrophobicContact CD-CG 4.43Å; K118-F121 HydrophobicContact CG-CB 4.16Å; K118-F121 PolarHBondContact O-N 2.59Å; K118-D203 WeakPolarHBondContact CE-OD1 3.32Å; K118-D203 IonicContact NZ-OD1 3.77Å
119	Q	84.9	Confident	93.3	Very high	165 Å²	165	60.5 Å²	60.5	77%	0.771	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	134.5	175.5	-177.8	170.5	32	0	0	110.5	F121	Q119-F121 PolarHBondContact O-N 3.3Å
120	N	85	Confident	93.6	Very high	92 Å²	92	54.8 Å²	54.8	49%	0.492	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	20.9	175.2	-55.2	5.5	0	0	0	115.3	K118 G122 E123	K118-N120 PolarHBondContact O-N 3.35Å; N120-G122 PolarHBondContact O-N 2.82Å; N120-E123 WeakPolarHBondContact CA-OE1 3.19Å; N120-E123 VanDerWaalsContact CB-CD 3.47Å; N120-E123 HydrophobicContact CB-CG 4.23Å; N120-E123 WeakPolarHBondContact CB-OE2 3.34Å; N120-E123 PolarHBondContact OD1-OE1 2.8Å
121	F	90.9	Very high	93.7	Very high	16 Å²	16	50.7 Å²	50.7	7%	0.07	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	130	176.1	-178.3	-83.1	0	0	0	110.6	L115 K118 Q119 E123 V126 D203 I205 L242 M244	L115-F121 HydrophobicContact CB-CD1 4.27Å; L115-F121 HydrophobicContact CB-CE1 4.46Å; L115-F121 HydrophobicContact CD1-CE1 3.98Å; L115-F121 HydrophobicContact CD1-CZ 4.06Å; L115-F121 HydrophobicContact CD2-CD1 4.36Å; L115-F121 HydrophobicContact CD2-CD2 3.84Å; L115-F121 HydrophobicContact CD2-CE1 4.14Å; L115-F121 HydrophobicContact CD2-CE2 3.53Å; L115-F121 HydrophobicContact CD2-CG 4.25Å; L115-F121 HydrophobicContact CD2-CZ 3.75Å; L115-F121 HydrophobicContact CG-CE1 4.42Å; L115-F121 HydrophobicContact CG-CZ 4.43Å; K118-F121 HydrophobicContact CB-CB 4.13Å; K118-F121 HydrophobicContact CD-CB 4.21Å; K118-F121 HydrophobicContact CD-CD2 3.77Å; K118-F121 HydrophobicContact CD-CG 4.43Å; K118-F121 HydrophobicContact CG-CB 4.16Å; K118-F121 PolarHBondContact O-N 2.59Å; Q119-F121 PolarHBondContact O-N 3.3Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-V126 HydrophobicContact CE1-CG2 4.36Å; F121-V126 HydrophobicContact CZ-CG1 3.97Å; F121-V126 HydrophobicContact CZ-CG2 4.32Å; F121-D203 WeakPolarHBondContact CA-OD2 3.49Å; F121-D203 HydrophobicContact CD2-CB 3.76Å; F121-D203 WeakPolarHBondContact CD2-OD1 3.36Å; F121-D203 WeakPolarHBondContact CD2-OD2 3.48Å; F121-D203 HydrophobicContact CE2-CB 3.36Å; F121-D203 HydrophobicContact CZ-CB 3.96Å; F121-I205 HydrophobicContact CE1-CD1 4.48Å; F121-I205 HydrophobicContact CE2-CD1 4.38Å; F121-I205 HydrophobicContact CE2-CG1 4.3Å; F121-I205 HydrophobicContact CZ-CD1 3.64Å; F121-I205 HydrophobicContact CZ-CG1 3.98Å; F121-L242 HydrophobicContact CD1-CD1 3.73Å; F121-L242 HydrophobicContact CE1-CD1 3.78Å; F121-M244 HydrophobicContact CE1-SD 4.09Å
122	G	90.1	Very high	93.7	Very high	5 Å²	5	50.7 Å²	50.7	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	10.6	175.4	0	0	0	0	0	115.5	N120 D124 D203	N120-G122 PolarHBondContact O-N 2.82Å; G122-D124 VanDerWaalsContact C-N 3.26Å; G122-D203 PolarHBondContact N-OD2 3.04Å
123	E	87.7	Confident	93.6	Very high	127 Å²	127	50.6 Å²	50.6	59%	0.593	24%	0.235	S	C	*	.	S	Bend	trans	-71.1	-23.3	170.8	-68.7	-177.2	177.9	0	0	112.6	N120 F121	N120-E123 WeakPolarHBondContact CA-OE1 3.19Å; N120-E123 VanDerWaalsContact CB-CD 3.47Å; N120-E123 HydrophobicContact CB-CG 4.23Å; N120-E123 WeakPolarHBondContact CB-OE2 3.34Å; N120-E123 PolarHBondContact OD1-OE1 2.8Å; F121-E123 VanDerWaalsContact C-N 3.34Å
124	D	90.1	Very high	93.4	Very high	73 Å²	73	46.1 Å²	46.1	39%	0.39	22%	0.215	S	C	.	.	S	Bend	trans	-124.9	-161.7	179.1	-69.5	-54	0	0	0	110.8	G122 V126 S201	G122-D124 VanDerWaalsContact C-N 3.26Å; D124-V126 PolarHBondContact O-N 2.75Å; D124-S201 WeakPolarHBondContact OD2-CB 3.44Å; D124-S201 PolarHBondContact OD2-OG 3.46Å
125	E	93	Very high	93	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	131	177.5	-175.3	-179	85.4	0	0	112.1	Y155 G202 D203 T248 R277	E125-Y155 PolarHBondContact OE1-OH 3.49Å; E125-G202 CarbonylContact O-C 3.58Å; E125-G202 WeakPolarHBondContact O-CA 3.2Å; E125-D203 PolarHBondContact O-N 3.44Å; E125-T248 WeakPolarHBondContact CA-O 3.47Å; E125-R277 IonicContact OE2-CZ 3.7Å; E125-R277 IonicContact OE2-NH1 3.88Å; E125-R277 IonicContact OE2-NH2 3.84Å; E125-R277 PolarHBondContact OE2-NH2 3.06Å
126	V	95.8	Very high	92.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.8	171.6	-178.6	0	0	0	0	109.7	F121 D124 I128 D203 I205 M244 T248 I249 H250	F121-V126 HydrophobicContact CE1-CG2 4.36Å; F121-V126 HydrophobicContact CZ-CG1 3.97Å; F121-V126 HydrophobicContact CZ-CG2 4.32Å; D124-V126 PolarHBondContact O-N 2.75Å; V126-I128 HydrophobicContact CG1-CG1 4.14Å; V126-D203 HydrophobicContact CG2-CB 4.27Å; V126-I205 HydrophobicContact CG1-CD1 4.24Å; V126-I205 HydrophobicContact CG1-CG1 4.4Å; V126-M244 HydrophobicContact CB-CE 3.77Å; V126-M244 HydrophobicContact CG1-CE 4.27Å; V126-M244 HydrophobicContact CG2-CE 3.3Å; V126-M244 HydrophobicContact CG2-SD 4.39Å; V126-T248 PolarHBondContact N-O 2.82Å; V126-I249 WeakPolarHBondContact O-CA 3.23Å; V126-H250 PolarHBondContact O-N 3.45Å
127	T	97.7	Very high	92.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.3	174.3	-68.3	0	0	0	0	110.5	I129 Y151 Y155 D203 I204 I205 H250 I252	T127-I129 HydrophobicContact CG2-CG1 4.19Å; T127-Y151 HydrophobicContact CG2-CD1 4.38Å; T127-Y151 HydrophobicContact CG2-CD2 4.36Å; T127-Y151 HydrophobicContact CG2-CE1 3.94Å; T127-Y151 HydrophobicContact CG2-CE2 3.92Å; T127-Y151 VanDerWaalsContact OG1-CE1 3.29Å; T127-Y151 WeakPolarHBondContact OG1-CE1 3.26Å; T127-Y155 PolarHBondContact OG1-OH 3.45Å; T127-D203 PolarHBondContact N-O 3.46Å; T127-I204 CarbonylContact O-C 3.57Å; T127-I204 WeakPolarHBondContact O-CA 3.22Å; T127-I205 PolarHBondContact O-N 3.46Å; T127-H250 CarbonylContact C-O 3.5Å; T127-H250 WeakPolarHBondContact CA-O 3.39Å; T127-I252 HydrophobicContact CG2-CD1 3.7Å; T127-I252 HydrophobicContact CG2-CG1 4.37Å
128	I	98.5	Very high	92.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.9	176.6	-53.2	176.4	0	0	0	108.7	V126 I205 I207 I235 M238 I249 H250 L251 I252	V126-I128 HydrophobicContact CG1-CG1 4.14Å; I128-I205 CarbonylContact C-O 3.58Å; I128-I205 WeakPolarHBondContact CA-O 3.42Å; I128-I205 HydrophobicContact CG1-CB 4.31Å; I128-I205 HydrophobicContact CG2-CG2 4.39Å; I128-I207 HydrophobicContact CG2-CD1 3.68Å; I128-I207 HydrophobicContact CG2-CG1 3.93Å; I128-I235 HydrophobicContact CD1-CD1 4.17Å; I128-I235 HydrophobicContact CD1-CG1 4.07Å; I128-M238 HydrophobicContact CD1-CE 3.91Å; I128-I249 HydrophobicContact CD1-CG2 3.93Å; I128-I249 HydrophobicContact CG1-CG2 4.4Å; I128-H250 PolarHBondContact N-O 3.37Å; I128-L251 HydrophobicContact CB-CD1 3.67Å; I128-L251 HydrophobicContact CG2-CD1 3.65Å; I128-L251 CarbonylContact O-C 3.57Å; I128-L251 WeakPolarHBondContact O-CA 3.49Å; I128-I252 PolarHBondContact O-N 3.14Å
129	I	98.8	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.8	176.6	-58.4	167.7	0	0	0	109.5	T127 L147 V148 I204 I205 V206 I207 I252	T127-I129 HydrophobicContact CG2-CG1 4.19Å; I129-L147 HydrophobicContact CD1-CD2 3.7Å; I129-L147 HydrophobicContact CD1-CG 3.85Å; I129-L147 HydrophobicContact CG1-CD2 4.25Å; I129-L147 HydrophobicContact CG2-CD2 4.36Å; I129-V148 HydrophobicContact CD1-CG2 4.31Å; I129-I204 HydrophobicContact CD1-CD1 3.77Å; I129-I204 HydrophobicContact CD1-CG1 4.41Å; I129-I205 PolarHBondContact N-O 3.01Å; I129-V206 HydrophobicContact CB-CG1 4.37Å; I129-V206 HydrophobicContact CB-CG2 4.27Å; I129-V206 HydrophobicContact CD1-CG2 4.3Å; I129-V206 CarbonylContact O-C 3.51Å; I129-V206 WeakPolarHBondContact O-CA 3.39Å; I129-I207 PolarHBondContact O-N 3.2Å; I129-I252 CarbonylContact C-O 3.59Å; I129-I252 WeakPolarHBondContact CA-O 3.45Å; I129-I252 HydrophobicContact CG1-CB 4.36Å
130	V	98.8	Very high	93.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.8	171.4	-174	0	0	0	0	108.8	I207 L209 I231 L251 I252 Q254 V260	V130-I207 HydrophobicContact CG2-CB 4.41Å; V130-I207 HydrophobicContact CG2-CD1 4.32Å; V130-L209 HydrophobicContact CG1-CB 4.16Å; V130-L209 HydrophobicContact CG1-CD2 3.87Å; V130-I231 HydrophobicContact CG1-CD1 4.44Å; V130-L251 HydrophobicContact CG2-CD1 3.84Å; V130-I252 PolarHBondContact N-O 3.36Å; V130-Q254 PolarHBondContact O-N 3.11Å; V130-V260 HydrophobicContact CG1-CB 4.49Å; V130-V260 HydrophobicContact CG1-CG1 4.26Å
131	T	98.5	Very high	93.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.154	C	C	.	.			trans	-73.7	137.9	176.2	66.8	0	0	0	0	110.1	T144 V206 I207 D208 L209 G210	T131-T144 HydrophobicContact CG2-CG2 4.04Å; T131-V206 HydrophobicContact CG2-CG1 3.87Å; T131-I207 PolarHBondContact N-O 2.63Å; T131-I207 VanDerWaalsContact N-O 3.08Å; T131-I207 PolarHBondContact OG1-O 3.37Å; T131-D208 WeakPolarHBondContact OG1-CA 3.47Å; T131-D208 PolarHBondContact OG1-OD1 3.04Å; T131-D208 VanDerWaalsContact OG1-OD1 3.09Å; T131-L209 VanDerWaalsContact O-CB 3.23Å; T131-L209 WeakPolarHBondContact O-CB 3.36Å; T131-L209 PolarHBondContact OG1-N 3.32Å; T131-G210 PolarHBondContact O-N 2.95Å; T131-G210 VanDerWaalsContact O-N 3.14Å; T131-G210 WeakPolarHBondContact OG1-CA 3.48Å; T131-G210 PolarHBondContact OG1-N 3.3Å
132	G	97.4	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.			trans	-124.5	2.6	-179.2	0	0	0	0	0	115.2	L213 Q254 V256	G132-L213 WeakPolarHBondContact O-CD1 3.45Å; G132-Q254 WeakPolarHBondContact CA-O 3.29Å; G132-Q254 PolarHBondContact N-O 3.1Å; G132-V256 VanDerWaalsContact O-CG1 3.22Å; G132-V256 WeakPolarHBondContact O-CG1 3.48Å
133	L	95.5	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-118.6	151.6	172.7	-69.9	177.4	0	0	0	111.1	I55 Q135 V140 G210 Y219 N255 M316 A346 M347	I55-L133 HydrophobicContact CD1-CD2 4.35Å; L133-Q135 PolarHBondContact O-N 2.95Å; L133-Q135 PolarHBondContact O-NE2 3.16Å; L133-V140 HydrophobicContact CB-CG1 3.89Å; L133-V140 HydrophobicContact CB-CG2 3.76Å; L133-V140 HydrophobicContact CD1-CG2 4.09Å; L133-G210 WeakPolarHBondContact O-CA 3.31Å; L133-Y219 HydrophobicContact CD2-CD2 4.37Å; L133-Y219 HydrophobicContact CD2-CE2 3.82Å; L133-N255 HydrophobicContact CD1-CB 4.13Å; L133-N255 HydrophobicContact CD2-CB 4.25Å; L133-N255 WeakPolarHBondContact CD2-OD1 3.32Å; L133-N255 HydrophobicContact CG-CB 3.83Å; L133-M316 HydrophobicContact CD1-CE 4.28Å; L133-M316 HydrophobicContact CD2-CE 3.47Å; L133-M316 VanDerWaalsContact CD2-CE 3.47Å; L133-A346 HydrophobicContact CD1-CB 4.43Å; L133-M347 HydrophobicContact CD1-CE 4.41Å; L133-M347 HydrophobicContact CD1-CG 4.14Å; L133-M347 HydrophobicContact CD1-SD 4.08Å
134	P	92	Very high	94.9	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.032	14%	0.14	C	C	.	.			trans	-53.3	122	178.1	-32.3	42.2	0	0	0	112.4	I55 T136 S137 G210 L213	I55-P134 HydrophobicContact CD1-CG 4.44Å; I55-P134 HydrophobicContact CG1-CB 4.2Å; I55-P134 HydrophobicContact CG1-CG 3.65Å; P134-T136 PolarHBondContact O-N 2.96Å; P134-S137 PolarHBondContact O-N 3.37Å; P134-G210 WeakPolarHBondContact CA-O 3.48Å; P134-L213 HydrophobicContact CG-CB 4.43Å; P134-L213 WeakPolarHBondContact CG-O 3.31Å
135	Q	87.1	Confident	95.2	Very high	34 Å²	34	29.6 Å²	29.6	16%	0.159	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	16.1	174.5	-61.1	-60.3	-46.9	0	0	112.3	L133 V140 K141 D208	L133-Q135 PolarHBondContact O-N 2.95Å; L133-Q135 PolarHBondContact O-NE2 3.16Å; Q135-V140 VanDerWaalsContact NE2-CG1 3.35Å; Q135-K141 WeakPolarHBondContact O-CE 3.38Å; Q135-K141 WeakPolarHBondContact O-CG 3.41Å; Q135-D208 WeakPolarHBondContact CG-OD1 3.48Å
136	T	86.7	Confident	95.4	Very high	104 Å²	104	30.7 Å²	30.7	64%	0.638	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-27.9	168.9	48.9	0	0	0	0	111.7	P134	P134-T136 PolarHBondContact O-N 2.96Å
137	S	91	Very high	95.5	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-72.7	129.7	175.8	153.7	0	0	0	0	111.7	E59 P134 T139 V140 K141	E59-S137 VanDerWaalsContact CD-OG 3.22Å; E59-S137 WeakPolarHBondContact OE1-CB 3.33Å; E59-S137 PolarHBondContact OE1-OG 2.7Å; E59-S137 WeakPolarHBondContact OE2-CB 3.48Å; E59-S137 PolarHBondContact OE2-OG 3.27Å; P134-S137 PolarHBondContact O-N 3.37Å; S137-T139 VanDerWaalsContact C-N 3.28Å; S137-T139 PolarHBondContact O-N 2.8Å; S137-T139 WeakPolarHBondContact OG-CB 3.33Å; S137-T139 PolarHBondContact OG-N 2.84Å; S137-V140 PolarHBondContact O-N 3.17Å; S137-V140 WeakPolarHBondContact OG-CG2 3.34Å; S137-V140 PolarHBondContact OG-N 3.49Å; S137-K141 WeakPolarHBondContact O-CG 3.42Å; S137-K141 PolarHBondContact O-N 2.96Å
138	E	92.9	Very high	95.5	Very high	106 Å²	106	31.3 Å²	31.3	50%	0.495	15%	0.15	S	C	.	.	H	α-helix	trans	-67	-31.4	174.2	-174.9	54.3	-148.1	0	0	111.6	K142 R145	E138-K142 WeakPolarHBondContact O-CB 3.49Å; E138-K142 PolarHBondContact O-N 3.19Å; E138-R145 IonicContact OE1-NH2 2.78Å
139	T	95	Very high	95.3	Very high	44 Å²	44	35.3 Å²	35.3	27%	0.27	17%	0.169	S	C	.	.	H	α-helix	trans	-59.7	-48.6	173.7	-52.3	0	0	0	0	111.1	E59 S137 K142 A143 V343 E344 M347	E59-T139 WeakPolarHBondContact OE1-CB 3.3Å; E59-T139 PolarHBondContact OE1-OG1 3.1Å; S137-T139 VanDerWaalsContact C-N 3.28Å; S137-T139 PolarHBondContact O-N 2.8Å; S137-T139 WeakPolarHBondContact OG-CB 3.33Å; S137-T139 PolarHBondContact OG-N 2.84Å; T139-K142 PolarHBondContact O-N 2.91Å; T139-A143 WeakPolarHBondContact O-CB 3.31Å; T139-A143 PolarHBondContact O-N 3.25Å; T139-V343 HydrophobicContact CG2-CG1 4.49Å; T139-E344 HydrophobicContact CG2-CB 4.23Å; T139-M347 HydrophobicContact CG2-CB 4.39Å
140	V	96.4	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-47	179.2	175.8	0	0	0	0	111	L133 Q135 S137 K142 A143 T144 V343 M347	L133-V140 HydrophobicContact CB-CG1 3.89Å; L133-V140 HydrophobicContact CB-CG2 3.76Å; L133-V140 HydrophobicContact CD1-CG2 4.09Å; Q135-V140 VanDerWaalsContact NE2-CG1 3.35Å; S137-V140 PolarHBondContact O-N 3.17Å; S137-V140 WeakPolarHBondContact OG-CG2 3.34Å; S137-V140 PolarHBondContact OG-N 3.49Å; V140-K142 VanDerWaalsContact C-N 3.33Å; V140-K142 PolarHBondContact O-N 3.23Å; V140-A143 PolarHBondContact O-N 3.3Å; V140-T144 WeakPolarHBondContact O-CB 3.37Å; V140-T144 PolarHBondContact O-N 3.16Å; V140-T144 PolarHBondContact O-OG1 3.44Å; V140-V343 HydrophobicContact CG2-CG1 3.93Å; V140-M347 HydrophobicContact CB-SD 4.16Å; V140-M347 HydrophobicContact CG1-SD 4.03Å; V140-M347 HydrophobicContact CG2-CG 4.02Å; V140-M347 HydrophobicContact CG2-SD 3.96Å
141	K	95.5	Very high	95	Very high	94 Å²	94	35.3 Å²	35.3	41%	0.409	17%	0.169	S	C	.	.	H	α-helix	trans	-57.5	-45.8	175.6	-74.5	-178.7	-168.2	173.7	0	111.5	Q135 S137 T144 R145	Q135-K141 WeakPolarHBondContact O-CE 3.38Å; Q135-K141 WeakPolarHBondContact O-CG 3.41Å; S137-K141 WeakPolarHBondContact O-CG 3.42Å; S137-K141 PolarHBondContact O-N 2.96Å; K141-T144 PolarHBondContact O-N 3.34Å; K141-R145 WeakPolarHBondContact O-CB 3.41Å; K141-R145 PolarHBondContact O-N 3.27Å
142	K	96.5	Very high	94.7	Very high	90 Å²	90	36.5 Å²	36.5	39%	0.391	18%	0.175	S	C	.	.	H	α-helix	trans	-63.5	-45.1	-179.9	-179.5	178.3	179.5	176.7	0	111.7	E138 T139 V140 R145 K146	E138-K142 WeakPolarHBondContact O-CB 3.49Å; E138-K142 PolarHBondContact O-N 3.19Å; T139-K142 PolarHBondContact O-N 2.91Å; V140-K142 VanDerWaalsContact C-N 3.33Å; V140-K142 PolarHBondContact O-N 3.23Å; K142-R145 PolarHBondContact O-N 3.28Å; K142-K146 WeakPolarHBondContact O-CB 3.49Å; K142-K146 VanDerWaalsContact O-CG 3.31Å; K142-K146 WeakPolarHBondContact O-CG 3.4Å; K142-K146 PolarHBondContact O-N 3.07Å
143	A	97.9	Very high	94.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-48.3	177.4	0	0	0	0	0	111.3	T139 V140 R145 K146 L147 M347 T350 R351	T139-A143 WeakPolarHBondContact O-CB 3.31Å; T139-A143 PolarHBondContact O-N 3.25Å; V140-A143 PolarHBondContact O-N 3.3Å; A143-R145 PolarHBondContact O-N 2.67Å; A143-K146 PolarHBondContact O-N 3.34Å; A143-L147 PolarHBondContact O-N 2.9Å; A143-M347 HydrophobicContact CB-CB 3.89Å; A143-M347 HydrophobicContact CB-CG 4.34Å; A143-M347 HydrophobicContact CB-SD 3.97Å; A143-T350 HydrophobicContact CB-CG2 3.9Å; A143-T350 WeakPolarHBondContact O-CG2 3.4Å; A143-R351 HydrophobicContact CB-CG 4.03Å
144	T	97.7	Very high	94.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-45.1	177.6	-54.8	0	0	0	0	111.8	T131 V140 K141 K146 L147 V148 Q254	T131-T144 HydrophobicContact CG2-CG2 4.04Å; V140-T144 WeakPolarHBondContact O-CB 3.37Å; V140-T144 PolarHBondContact O-N 3.16Å; V140-T144 PolarHBondContact O-OG1 3.44Å; K141-T144 PolarHBondContact O-N 3.34Å; T144-K146 PolarHBondContact O-N 3.31Å; T144-L147 PolarHBondContact O-N 2.86Å; T144-V148 WeakPolarHBondContact O-CG2 3.44Å; T144-V148 PolarHBondContact O-N 3.18Å; T144-Q254 PolarHBondContact OG1-NE2 2.83Å; T144-Q254 PolarHBondContact OG1-OE1 2.78Å
145	R	96.5	Very high	94.1	Very high	116 Å²	116	39.4 Å²	39.4	44%	0.438	19%	0.187	S	C	.	.	H	α-helix	trans	-58.8	-44.2	175.1	174.2	174	51.5	135.4	-8.7	112	E138 K141 K142 A143 L147 V148 Q149	E138-R145 IonicContact OE1-NH2 2.78Å; K141-R145 WeakPolarHBondContact O-CB 3.41Å; K141-R145 PolarHBondContact O-N 3.27Å; K142-R145 PolarHBondContact O-N 3.28Å; A143-R145 PolarHBondContact O-N 2.67Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-V148 PolarHBondContact O-N 3.02Å; R145-Q149 HydrophobicContact CG-CG 4.35Å; R145-Q149 WeakPolarHBondContact O-CB 3.37Å; R145-Q149 VanDerWaalsContact O-CG 3.24Å; R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 2.71Å
146	K	97.4	Very high	93.7	Very high	45 Å²	45	39.5 Å²	39.5	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-38.6	179	-74.3	-70.8	178.7	-170.8	0	111.9	K142 A143 T144 A150	K142-K146 WeakPolarHBondContact O-CB 3.49Å; K142-K146 VanDerWaalsContact O-CG 3.31Å; K142-K146 WeakPolarHBondContact O-CG 3.4Å; K142-K146 PolarHBondContact O-N 3.07Å; A143-K146 PolarHBondContact O-N 3.34Å; T144-K146 PolarHBondContact O-N 3.31Å; K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 2.98Å
147	L	98.1	Very high	92.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-49.4	174.4	-179.2	59.3	0	0	0	111.9	I129 A143 T144 R145 Q149 A150 Y151 L282 T350 F353 A354 V357	I129-L147 HydrophobicContact CD1-CD2 3.7Å; I129-L147 HydrophobicContact CD1-CG 3.85Å; I129-L147 HydrophobicContact CG1-CD2 4.25Å; I129-L147 HydrophobicContact CG2-CD2 4.36Å; A143-L147 PolarHBondContact O-N 2.9Å; T144-L147 PolarHBondContact O-N 2.86Å; R145-L147 VanDerWaalsContact C-N 3.34Å; L147-Q149 VanDerWaalsContact C-N 3.32Å; L147-Q149 PolarHBondContact O-N 3.04Å; L147-A150 WeakPolarHBondContact O-CB 3.44Å; L147-A150 PolarHBondContact O-N 3.44Å; L147-A150 VanDerWaalsContact O-N 3.15Å; L147-Y151 HydrophobicContact CD1-CD2 3.9Å; L147-Y151 HydrophobicContact CD1-CE2 3.77Å; L147-Y151 HydrophobicContact CG-CD2 4.31Å; L147-Y151 HydrophobicContact CG-CE2 4.44Å; L147-Y151 PolarHBondContact O-N 2.87Å; L147-Y151 VanDerWaalsContact O-N 3.12Å; L147-L282 HydrophobicContact CD2-CD1 4.18Å; L147-T350 HydrophobicContact CB-CG2 3.98Å; L147-T350 HydrophobicContact CD2-CG2 4.05Å; L147-F353 HydrophobicContact CD1-CD1 3.8Å; L147-F353 HydrophobicContact CD1-CE1 4.5Å; L147-A354 HydrophobicContact CB-CB 4Å; L147-A354 HydrophobicContact CD1-CB 3.96Å; L147-V357 HydrophobicContact CD1-CG2 4.47Å
148	V	97.1	Very high	91	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-46.1	176.2	170.3	0	0	0	0	111	P97 I129 T144 R145 A150 Y151 M152 I204 V206	P97-V148 HydrophobicContact CB-CG1 3.79Å; P97-V148 HydrophobicContact CG-CG1 3.75Å; I129-V148 HydrophobicContact CD1-CG2 4.31Å; T144-V148 WeakPolarHBondContact O-CG2 3.44Å; T144-V148 PolarHBondContact O-N 3.18Å; R145-V148 PolarHBondContact O-N 3.02Å; V148-A150 VanDerWaalsContact C-N 3.32Å; V148-A150 PolarHBondContact O-N 3.26Å; V148-Y151 PolarHBondContact O-N 2.74Å; V148-M152 HydrophobicContact CG1-CG 4.22Å; V148-M152 WeakPolarHBondContact O-CB 3.22Å; V148-M152 VanDerWaalsContact O-CG 3.25Å; V148-M152 WeakPolarHBondContact O-CG 3.06Å; V148-M152 PolarHBondContact O-N 3.34Å; V148-I204 HydrophobicContact CB-CD1 4.29Å; V148-I204 HydrophobicContact CG1-CD1 4.25Å; V148-I204 HydrophobicContact CG2-CD1 4.09Å; V148-V206 HydrophobicContact CG2-CG2 3.84Å
149	Q	95.2	Very high	89.2	Confident	83 Å²	83	36.9 Å²	36.9	39%	0.388	17%	0.169	S	C	.	.	H	α-helix	trans	-61.2	-38.9	177.6	-76.3	176.6	-18.5	0	0	112.5	R145 L147 M152 Q153	R145-Q149 HydrophobicContact CG-CG 4.35Å; R145-Q149 WeakPolarHBondContact O-CB 3.37Å; R145-Q149 VanDerWaalsContact O-CG 3.24Å; R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 2.71Å; L147-Q149 VanDerWaalsContact C-N 3.32Å; L147-Q149 PolarHBondContact O-N 3.04Å; Q149-M152 PolarHBondContact O-N 2.82Å; Q149-Q153 WeakPolarHBondContact O-CB 3.22Å; Q149-Q153 PolarHBondContact O-N 2.91Å
150	A	95.5	Very high	87.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-44.3	177.9	0	0	0	0	0	111.9	K146 L147 V148 Q153 R154 A354 V357 R358	K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 2.98Å; L147-A150 WeakPolarHBondContact O-CB 3.44Å; L147-A150 PolarHBondContact O-N 3.44Å; L147-A150 VanDerWaalsContact O-N 3.15Å; V148-A150 VanDerWaalsContact C-N 3.32Å; V148-A150 PolarHBondContact O-N 3.26Å; A150-Q153 PolarHBondContact O-N 3.42Å; A150-R154 WeakPolarHBondContact O-CB 3.34Å; A150-R154 PolarHBondContact O-N 3.11Å; A150-A354 HydrophobicContact CB-CB 4.36Å; A150-A354 WeakPolarHBondContact CB-O 3.47Å; A150-V357 HydrophobicContact CB-CB 3.92Å; A150-V357 HydrophobicContact CB-CG1 3.8Å; A150-R358 HydrophobicContact CB-CG 3.87Å
151	Y	95.4	Very high	85.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-44.3	175.2	-89.8	-75.3	0	0	0	112.6	T127 L147 V148 Q153 R154 Y155 I204 H250 I252 F353 V357	T127-Y151 HydrophobicContact CG2-CD1 4.38Å; T127-Y151 HydrophobicContact CG2-CD2 4.36Å; T127-Y151 HydrophobicContact CG2-CE1 3.94Å; T127-Y151 HydrophobicContact CG2-CE2 3.92Å; T127-Y151 VanDerWaalsContact OG1-CE1 3.29Å; T127-Y151 WeakPolarHBondContact OG1-CE1 3.26Å; L147-Y151 HydrophobicContact CD1-CD2 3.9Å; L147-Y151 HydrophobicContact CD1-CE2 3.77Å; L147-Y151 HydrophobicContact CG-CD2 4.31Å; L147-Y151 HydrophobicContact CG-CE2 4.44Å; L147-Y151 PolarHBondContact O-N 2.87Å; L147-Y151 VanDerWaalsContact O-N 3.12Å; V148-Y151 PolarHBondContact O-N 2.74Å; Y151-Q153 VanDerWaalsContact C-N 3.25Å; Y151-Q153 PolarHBondContact O-N 2.82Å; Y151-R154 WeakPolarHBondContact O-CB 3.42Å; Y151-R154 PolarHBondContact O-N 3.3Å; Y151-R154 VanDerWaalsContact O-N 3.12Å; Y151-Y155 HydrophobicContact CD1-CD2 4.43Å; Y151-Y155 HydrophobicContact CD1-CE1 4.18Å; Y151-Y155 AromaticContact CD1-CE2 3.68Å; Y151-Y155 HydrophobicContact CD1-CE2 3.68Å; Y151-Y155 AromaticContact CD1-CZ 3.57Å; Y151-Y155 HydrophobicContact CE1-CE2 4.44Å; Y151-Y155 AromaticContact CE1-CZ 3.95Å; Y151-Y155 WeakPolarHBondContact CE1-OH 3.19Å; Y151-Y155 HydrophobicContact CG-CE2 4.49Å; Y151-Y155 PolarHBondContact O-N 3.14Å; Y151-I204 HydrophobicContact CD2-CD1 4.42Å; Y151-I204 HydrophobicContact CG-CD1 4.27Å; Y151-H250 PolarHBondContact OH-ND1 3.44Å; Y151-I252 HydrophobicContact CE2-CD1 3.85Å; Y151-I252 VanDerWaalsContact OH-CD1 3.31Å; Y151-I252 WeakPolarHBondContact OH-CD1 3.22Å; Y151-F353 HydrophobicContact CE2-CE1 4.16Å; Y151-F353 WeakPolarHBondContact OH-CE1 3.49Å; Y151-V357 HydrophobicContact CD1-CG1 3.98Å; Y151-V357 HydrophobicContact CD2-CG1 3.86Å; Y151-V357 HydrophobicContact CD2-CG2 4.33Å; Y151-V357 HydrophobicContact CE1-CG1 4.15Å; Y151-V357 HydrophobicContact CE2-CG1 4.02Å; Y151-V357 HydrophobicContact CE2-CG2 3.75Å; Y151-V357 HydrophobicContact CG-CG1 3.83Å
152	M	92.2	Very high	82.8	Confident	27 Å²	27	45.8 Å²	45.8	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-41.1	174.9	-70.6	-63.7	-65.5	0	0	111.4	P97 K98 P99 V148 Q149 N156 I204	P97-M152 HydrophobicContact CB-CG 4.39Å; P97-M152 HydrophobicContact CB-SD 4.05Å; P97-M152 HydrophobicContact CG-CG 4.25Å; P97-M152 HydrophobicContact CG-SD 3.72Å; K98-M152 VanDerWaalsContact C-CE 3.43Å; P99-M152 HydrophobicContact CB-CE 4.4Å; P99-M152 HydrophobicContact CG-CE 4.06Å; V148-M152 HydrophobicContact CG1-CG 4.22Å; V148-M152 WeakPolarHBondContact O-CB 3.22Å; V148-M152 VanDerWaalsContact O-CG 3.25Å; V148-M152 WeakPolarHBondContact O-CG 3.06Å; V148-M152 PolarHBondContact O-N 3.34Å; Q149-M152 PolarHBondContact O-N 2.82Å; M152-N156 WeakPolarHBondContact O-CB 3.05Å; M152-N156 PolarHBondContact O-N 3.01Å; M152-N156 PolarHBondContact O-ND2 2.96Å; M152-I204 HydrophobicContact SD-CG2 3.71Å
153	Q	90.9	Very high	80.5	Confident	46 Å²	46	48.4 Å²	48.4	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-47.2	174.5	-176.9	-178.6	-5.1	0	0	111.4	Q149 A150 Y151 Y155 L157	Q149-Q153 WeakPolarHBondContact O-CB 3.22Å; Q149-Q153 PolarHBondContact O-N 2.91Å; A150-Q153 PolarHBondContact O-N 3.42Å; Y151-Q153 VanDerWaalsContact C-N 3.25Å; Y151-Q153 PolarHBondContact O-N 2.82Å; Q153-Y155 PolarHBondContact O-N 3.48Å; Q153-L157 HydrophobicContact CG-CD1 3.89Å; Q153-L157 WeakPolarHBondContact O-CB 3.44Å; Q153-L157 WeakPolarHBondContact O-CD1 3.01Å; Q153-L157 PolarHBondContact O-N 3.14Å
154	R	92	Very high	77.8	Confident	16 Å²	16	50.8 Å²	50.8	6%	0.06	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-49.7	178.8	-175	-179	-177.3	101.1	-3.9	112	A150 Y151 V357 P359 E362	A150-R154 WeakPolarHBondContact O-CB 3.34Å; A150-R154 PolarHBondContact O-N 3.11Å; Y151-R154 WeakPolarHBondContact O-CB 3.42Å; Y151-R154 PolarHBondContact O-N 3.3Å; Y151-R154 VanDerWaalsContact O-N 3.12Å; R154-V357 HydrophobicContact CB-CG1 4.3Å; R154-V357 PolarHBondContact NH1-O 3.41Å; R154-P359 HydrophobicContact CB-CG 4.27Å; R154-P359 HydrophobicContact CG-CG 4.5Å; R154-E362 IonicContact NH1-OE1 3.89Å
155	Y	90.1	Very high	75.2	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-77.1	-36.9	-176.6	-61.3	-26.7	0	0	0	113.2	E125 T127 Y151 Q153 Q200 G202 D203	E125-Y155 PolarHBondContact OE1-OH 3.49Å; T127-Y155 PolarHBondContact OG1-OH 3.45Å; Y151-Y155 HydrophobicContact CD1-CD2 4.43Å; Y151-Y155 HydrophobicContact CD1-CE1 4.18Å; Y151-Y155 AromaticContact CD1-CE2 3.68Å; Y151-Y155 HydrophobicContact CD1-CE2 3.68Å; Y151-Y155 AromaticContact CD1-CZ 3.57Å; Y151-Y155 HydrophobicContact CE1-CE2 4.44Å; Y151-Y155 AromaticContact CE1-CZ 3.95Å; Y151-Y155 WeakPolarHBondContact CE1-OH 3.19Å; Y151-Y155 HydrophobicContact CG-CE2 4.49Å; Y151-Y155 PolarHBondContact O-N 3.14Å; Q153-Y155 PolarHBondContact O-N 3.48Å; Y155-Q200 WeakPolarHBondContact CD1-O 3.24Å; Y155-G202 WeakPolarHBondContact CD2-O 3.11Å; Y155-D203 WeakPolarHBondContact CE2-O 3.43Å
156	N	77.9	Confident	72.5	Confident	35 Å²	35	61.2 Å²	61.2	19%	0.187	30%	0.3	C	S	.	.	H	α-helix	trans	-74.8	-30	-178.2	-70.8	-18.3	0	0	0	114.1	M152 Q158 Q159 Q160	M152-N156 WeakPolarHBondContact O-CB 3.05Å; M152-N156 PolarHBondContact O-N 3.01Å; M152-N156 PolarHBondContact O-ND2 2.96Å; N156-Q158 PolarHBondContact O-N 2.78Å; N156-Q159 PolarHBondContact O-N 3.08Å; N156-Q159 VanDerWaalsContact O-N 3.16Å; N156-Q160 PolarHBondContact O-N 3.44Å; N156-Q160 VanDerWaalsContact O-N 3.16Å
157	L	64	Low	69.3	Low	29 Å²	29	61.5 Å²	61.5	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-29.3	177.3	-91	158.7	0	0	0	111.8	Q153 R161 V194 T199 P359	Q153-L157 HydrophobicContact CG-CD1 3.89Å; Q153-L157 WeakPolarHBondContact O-CB 3.44Å; Q153-L157 WeakPolarHBondContact O-CD1 3.01Å; Q153-L157 PolarHBondContact O-N 3.14Å; L157-R161 WeakPolarHBondContact O-CG 3.26Å; L157-R161 PolarHBondContact O-N 3.32Å; L157-V194 HydrophobicContact CD1-CG1 3.76Å; L157-V194 HydrophobicContact CD2-CG1 4.25Å; L157-T199 HydrophobicContact CB-CG2 4.04Å; L157-P359 HydrophobicContact CD1-CB 4.1Å; L157-P359 HydrophobicContact CD1-CG 3.69Å
158	Q	56.1	Low	66.1	Low	40 Å²	40	69.1 Å²	69.1	19%	0.187	36%	0.357	C	S	.	.	H	α-helix	trans	-76.8	-40.3	176	-169.3	165.7	-24.9	0	0	113	N156 Q160 R161 Q162 T199 Q200 S201	N156-Q158 PolarHBondContact O-N 2.78Å; Q158-Q160 PolarHBondContact O-N 3.42Å; Q158-R161 PolarHBondContact O-N 3.44Å; Q158-Q162 WeakPolarHBondContact O-CG 3.46Å; Q158-Q162 PolarHBondContact O-N 2.77Å; Q158-T199 PolarHBondContact OE1-O 3.01Å; Q158-Q200 PolarHBondContact OE1-O 3.03Å; Q158-S201 PolarHBondContact NE2-OG 3.4Å
159	Q	56.5	Low	62.9	Low	89 Å²	89	76.5 Å²	76.5	42%	0.416	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-39	176.9	-65.9	-177.6	22.5	0	0	111.1	N156 Q162 H163	N156-Q159 PolarHBondContact O-N 3.08Å; N156-Q159 VanDerWaalsContact O-N 3.16Å; Q159-Q162 PolarHBondContact O-N 2.69Å; Q159-H163 PolarHBondContact O-N 3.27Å; Q159-H163 PolarHBondContact O-ND1 2.85Å; Q159-H163 VanDerWaalsContact O-ND1 3.1Å
160	Q	52	Low	59.6	Low	139 Å²	139	79.2 Å²	79.2	65%	0.65	41%	0.407	S	S	*	.	H	α-helix	trans	-67.3	-37.3	174	-69.4	-179.4	-1.9	0	0	112.8	N156 Q158 H163 G164	N156-Q160 PolarHBondContact O-N 3.44Å; N156-Q160 VanDerWaalsContact O-N 3.16Å; Q158-Q160 PolarHBondContact O-N 3.42Å; Q160-H163 PolarHBondContact O-N 2.86Å; Q160-G164 PolarHBondContact O-N 2.84Å
161	R	52.4	Low	56.7	Low	82 Å²	82	90.6 Å²	90.6	31%	0.309	45%	0.452	S	S	.	.	H	α-helix	trans	-67.9	-33.3	174.1	-74.8	-178.2	-176.7	171.8	13	113	L157 Q158 K165 V194 K195 A197	L157-R161 WeakPolarHBondContact O-CG 3.26Å; L157-R161 PolarHBondContact O-N 3.32Å; Q158-R161 PolarHBondContact O-N 3.44Å; R161-K165 PolarHBondContact O-N 2.88Å; R161-V194 PolarHBondContact NH2-O 3.16Å; R161-K195 VanDerWaalsContact NH2-CA 3.32Å; R161-K195 PolarHBondContact NH2-O 3.28Å; R161-A197 PolarHBondContact NH1-O 2.95Å; R161-A197 PolarHBondContact NH2-O 3.5Å
162	Q	47.6	Very low	53.6	Low	104 Å²	104	99.6 Å²	99.6	49%	0.486	49%	0.494	S	S	.	.	H	α-helix	trans	-69.9	-40.1	174.8	-71.2	175	1.4	0	0	111.5	Q158 Q159	Q158-Q162 WeakPolarHBondContact O-CG 3.46Å; Q158-Q162 PolarHBondContact O-N 2.77Å; Q159-Q162 PolarHBondContact O-N 2.69Å
163	H	48.2	Very low	50.6	Low	145 Å²	145	105.2 Å²	105.2	67%	0.671	52%	0.524	S	S	*	.	H	α-helix	trans	-71.9	-37.8	175.5	-76.8	53.5	0	0	0	112.5	Q159 Q160 K165 N166 G167	Q159-H163 PolarHBondContact O-N 3.27Å; Q159-H163 PolarHBondContact O-ND1 2.85Å; Q159-H163 VanDerWaalsContact O-ND1 3.1Å; Q160-H163 PolarHBondContact O-N 2.86Å; H163-K165 VanDerWaalsContact C-N 3.28Å; H163-K165 PolarHBondContact O-N 3.43Å; H163-N166 PolarHBondContact O-N 2.88Å; H163-G167 PolarHBondContact O-N 2.81Å
164	G	41.4	Very low	47.8	Very low	52 Å²	52	110.8 Å²	110.8	54%	0.536	55%	0.551	S	S	.	*	H	α-helix	trans	-68.3	-20.8	178	0	0	0	0	0	114.8	Q160	Q160-G164 PolarHBondContact O-N 2.84Å
165	K	42.5	Very low	45	Very low	180 Å²	180	115.4 Å²	115.4	78%	0.783	59%	0.585	S	S	*	*	H	α-helix	trans	-81.5	-18.7	173.1	-79.8	-175.9	175.4	-176.3	0	113.8	R161 H163	R161-K165 PolarHBondContact O-N 2.88Å; H163-K165 VanDerWaalsContact C-N 3.28Å; H163-K165 PolarHBondContact O-N 3.43Å
166	N	39.3	Very low	42.5	Very low	156 Å²	156	121.9 Å²	121.9	83%	0.834	62%	0.62	S	S	*	*	H	α-helix	trans	-104.4	-5.3	178.7	-77.1	-8.3	0	0	0	113.9	H163	H163-N166 PolarHBondContact O-N 2.88Å
167	G	31.6	Very low	40.6	Very low	51 Å²	51	129.1 Å²	129.1	53%	0.526	65%	0.653	S	S	.	*			trans	-117.3	55.1	-176.4	0	0	0	0	0	113.3	H163 Q169	H163-G167 PolarHBondContact O-N 2.81Å; G167-Q169 VanDerWaalsContact C-N 3.25Å; G167-Q169 PolarHBondContact O-N 2.85Å
168	N	29.9	Very low	39.3	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	69%	0.688	S	S	*	*			trans	-90.3	63.6	169.8	-129.6	17.3	0	0	0	108.9
169	Q	29.4	Very low	38.5	Very low	167 Å²	167	145.3 Å²	145.3	78%	0.78	72%	0.719	S	S	*	*	S	Bend	trans	-158.5	115.5	171.4	-108.6	164.1	7.9	0	0	109	G167	G167-Q169 VanDerWaalsContact C-N 3.25Å; G167-Q169 PolarHBondContact O-N 2.85Å
170	D	27.9	Very low	37.5	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	73%	0.731	S	S	*	*			trans	48.3	106.1	157.6	-60.4	-26.6	0	0	0	118.9
171	Y	33.1	Very low	36.8	Very low	239 Å²	239	149.6 Å²	149.6	94%	0.937	74%	0.741	S	S	*	*			trans	-157.2	102.4	132.4	-82.8	-61.6	0	0	0	110.6
172	Q	30.5	Very low	36	Very low	189 Å²	189	154.5 Å²	154.5	88%	0.883	77%	0.768	S	S	*	*			trans	-76.6	128.8	160.6	-85.8	174.4	-29.8	0	0	109.8
173	D	30.5	Very low	35.3	Very low	145 Å²	145	157.5 Å²	157.5	78%	0.775	77%	0.774	S	S	*	*			trans	77.9	148.2	133.7	-137.6	-0.8	0	0	0	121.6
174	Q	30.9	Very low	34.5	Very low	164 Å²	164	155.8 Å²	155.8	77%	0.766	77%	0.774	S	S	*	*			trans	80.1	95.4	163.9	-54	-177.4	6	0	0	119.1
175	S	34.5	Very low	34.4	Very low	113 Å²	113	159.6 Å²	159.6	79%	0.79	79%	0.793	S	S	*	*			trans	162.2	44.2	136.7	54.2	0	0	0	0	115.5
176	N	36.7	Very low	34.5	Very low	139 Å²	139	154.5 Å²	154.5	74%	0.743	78%	0.78	S	S	*	*			trans	-104.7	4.7	-175.3	-103	-17.3	0	0	0	117.4
177	E	37.6	Very low	34.3	Very low	187 Å²	187	153 Å²	153	87%	0.874	77%	0.768	S	S	*	*	S	Bend	trans	-90.3	-20.1	-175.6	-80.5	-172.6	149.5	0	0	115.9
178	Q	37.7	Very low	35	Very low	192 Å²	192	156 Å²	156	90%	0.897	77%	0.768	S	S	*	*	S	Bend	trans	-95.5	-7.4	-175.2	-81.7	177.5	-17.7	0	0	115.8
179	R	37.9	Very low	35.3	Very low	218 Å²	218	156 Å²	156	82%	0.823	77%	0.768	S	S	*	*	S	Bend	trans	-95	-0.5	-176.9	-73.5	-174.9	175	-177.6	0.2	115.3	N181	R179-N181 PolarHBondContact O-N 2.89Å
180	K	37	Very low	36.2	Very low	158 Å²	158	155.3 Å²	155.3	69%	0.687	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-78.5	-14	-174.8	-88.6	-179.7	174.9	175.8	0	115.6
181	N	35.5	Very low	37.2	Very low	159 Å²	159	151.5 Å²	151.5	85%	0.85	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-94.1	12	-168	-75.6	-6.1	0	0	0	116.7	R179	R179-N181 PolarHBondContact O-N 2.89Å
182	Q	36.4	Very low	37.8	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-127.1	17	179.3	-75.4	-174.4	-5.2	0	0	115.2	T184	Q182-T184 PolarHBondContact O-N 2.76Å
183	R	32.2	Very low	38.6	Very low	166 Å²	166	143.4 Å²	143.4	63%	0.626	71%	0.714	S	S	*	*			trans	-81.2	106.3	-177.9	-78.3	-176.5	153.8	165.2	-0.3	112.7	E187	R183-E187 IonicContact CZ-OE2 3.62Å; R183-E187 IonicContact NE-OE2 3.82Å; R183-E187 PolarHBondContact NE-OE2 3.5Å; R183-E187 IonicContact NH2-OE2 2.83Å
184	T	32.2	Very low	39.6	Very low	109 Å²	109	137.3 Å²	137.3	67%	0.669	68%	0.683	S	S	*	*			trans	-64.5	145.6	162.7	67.5	0	0	0	0	110.1	Q182 S186	Q182-T184 PolarHBondContact O-N 2.76Å; T184-S186 PolarHBondContact O-N 3.45Å
185	S	39.7	Very low	40.4	Very low	133 Å²	133	135.3 Å²	135.3	93%	0.93	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	35.3	-159.2	84.3	0	0	0	0	117.7
186	S	43.4	Very low	41.1	Very low	73 Å²	73	136.8 Å²	136.8	51%	0.51	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.5	10.8	178.4	73.8	0	0	0	0	115.8	T184	T184-S186 PolarHBondContact O-N 3.45Å
187	E	35.9	Very low	41.9	Very low	123 Å²	123	130.8 Å²	130.8	58%	0.575	64%	0.64	S	S	*	*			trans	-95.3	94.4	169.1	-71.8	-176.6	-176.9	0	0	109	R183	R183-E187 IonicContact CZ-OE2 3.62Å; R183-E187 IonicContact NE-OE2 3.82Å; R183-E187 PolarHBondContact NE-OE2 3.5Å; R183-E187 IonicContact NH2-OE2 2.83Å
188	E	46.2	Very low	42.8	Very low	116 Å²	116	131.1 Å²	131.1	54%	0.542	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-89.6	142.8	175.7	-70.4	171.6	-167.6	0	0	111.3	Q417	E188-Q417 VanDerWaalsContact CD-NE2 3.26Å; E188-Q417 PolarHBondContact OE1-NE2 2.98Å; E188-Q417 WeakPolarHBondContact OE2-CG 3.49Å; E188-Q417 PolarHBondContact OE2-NE2 3.19Å
189	D	36.1	Very low	43.9	Very low	159 Å²	159	122.8 Å²	122.8	85%	0.85	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-69.2	134.1	-178	-146.2	-0.4	0	0	0	111.3
190	Y	47.5	Very low	45.4	Very low	154 Å²	154	116.8 Å²	116.8	60%	0.604	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-73.7	126.4	-172.9	-66.6	-90.4	0	0	0	111.4	V194	Y190-V194 HydrophobicContact CD1-CG1 4.33Å
191	S	49.3	Very low	47.7	Very low	60 Å²	60	110 Å²	110	42%	0.42	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-79.4	154.3	171.8	65.8	0	0	0	0	112.1	E193 V194	S191-E193 PolarHBondContact O-N 2.91Å; S191-E193 VanDerWaalsContact O-N 3.11Å; S191-V194 WeakPolarHBondContact O-CB 3.3Å; S191-V194 PolarHBondContact O-N 3.12Å; S191-V194 VanDerWaalsContact O-N 3.08Å
192	E	45.3	Very low	50.4	Low	130 Å²	130	102.9 Å²	102.9	61%	0.607	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-55.5	-24.3	175.4	-71.1	-67	151.7	0	0	113.6	V194 K195	E192-V194 PolarHBondContact O-N 3.34Å; E192-K195 WeakPolarHBondContact O-CB 3.37Å; E192-K195 PolarHBondContact O-N 3.5Å; E192-K195 IonicContact OE1-NZ 3.56Å; E192-K195 PolarHBondContact OE1-NZ 2.92Å; E192-K195 VanDerWaalsContact OE2-CD 3.27Å; E192-K195 WeakPolarHBondContact OE2-CD 3.4Å; E192-K195 WeakPolarHBondContact OE2-CE 3.38Å; E192-K195 IonicContact OE2-NZ 2.73Å; E192-K195 PolarHBondContact OE2-NZ 3.32Å
193	E	47.1	Very low	53.1	Low	127 Å²	127	94.8 Å²	94.8	59%	0.593	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-62.1	-32.4	176.7	-71.2	169.4	159.5	0	0	112.2	S191 K195 N196 A197	S191-E193 PolarHBondContact O-N 2.91Å; S191-E193 VanDerWaalsContact O-N 3.11Å; E193-K195 PolarHBondContact O-N 3.47Å; E193-N196 PolarHBondContact O-N 3.12Å; E193-N196 VanDerWaalsContact O-N 3.14Å; E193-A197 PolarHBondContact O-N 3.21Å
194	V	52.6	Low	56.2	Low	18 Å²	18	87.1 Å²	87.1	11%	0.109	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.9	175.8	-178.7	0	0	0	0	111.4	L157 R161 Y190 S191 E192 N196 P359	L157-V194 HydrophobicContact CD1-CG1 3.76Å; L157-V194 HydrophobicContact CD2-CG1 4.25Å; R161-V194 PolarHBondContact NH2-O 3.16Å; Y190-V194 HydrophobicContact CD1-CG1 4.33Å; S191-V194 WeakPolarHBondContact O-CB 3.3Å; S191-V194 PolarHBondContact O-N 3.12Å; S191-V194 VanDerWaalsContact O-N 3.08Å; E192-V194 PolarHBondContact O-N 3.34Å; V194-N196 VanDerWaalsContact C-N 3.3Å; V194-N196 PolarHBondContact O-N 2.87Å; V194-P359 HydrophobicContact CG1-CB 4.22Å
195	K	47.4	Very low	59.3	Low	122 Å²	122	82 Å²	82	53%	0.53	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-74.3	-16.8	177.3	-61.8	-170.1	-166.1	156.3	0	113.8	R161 E192 E193	R161-K195 VanDerWaalsContact NH2-CA 3.32Å; R161-K195 PolarHBondContact NH2-O 3.28Å; E192-K195 WeakPolarHBondContact O-CB 3.37Å; E192-K195 PolarHBondContact O-N 3.5Å; E192-K195 IonicContact OE1-NZ 3.56Å; E192-K195 PolarHBondContact OE1-NZ 2.92Å; E192-K195 VanDerWaalsContact OE2-CD 3.27Å; E192-K195 WeakPolarHBondContact OE2-CD 3.4Å; E192-K195 WeakPolarHBondContact OE2-CE 3.38Å; E192-K195 IonicContact OE2-NZ 2.73Å; E192-K195 PolarHBondContact OE2-NZ 3.32Å; E193-K195 PolarHBondContact O-N 3.47Å
196	N	49.2	Very low	62.1	Low	144 Å²	144	75.6 Å²	75.6	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-8.2	177.5	-69.4	-24.4	0	0	0	113.6	E193 V194 K198	E193-N196 PolarHBondContact O-N 3.12Å; E193-N196 VanDerWaalsContact O-N 3.14Å; V194-N196 VanDerWaalsContact C-N 3.3Å; V194-N196 PolarHBondContact O-N 2.87Å; N196-K198 PolarHBondContact O-N 2.98Å
197	A	54.7	Low	64.7	Low	13 Å²	13	72.1 Å²	72.1	11%	0.107	35%	0.353	C	S	.	.	S	Bend	trans	-59.9	134.7	175.4	0	0	0	0	0	111	R161 E193 T199 P359	R161-A197 PolarHBondContact NH1-O 2.95Å; R161-A197 PolarHBondContact NH2-O 3.5Å; E193-A197 PolarHBondContact O-N 3.21Å; A197-T199 VanDerWaalsContact C-N 3.32Å; A197-T199 PolarHBondContact O-N 2.8Å; A197-P359 HydrophobicContact CB-CB 3.96Å
198	K	55.7	Low	67.7	Low	193 Å²	193	67.7 Å²	67.7	84%	0.839	33%	0.333	S	S	*	.			trans	-70.9	87.3	171	-74	-175.5	179.6	-178	0	108.4	N196	N196-K198 PolarHBondContact O-N 2.98Å
199	T	60.6	Low	70.1	Confident	18 Å²	18	62.1 Å²	62.1	11%	0.11	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-77.8	143.4	173	55.4	0	0	0	0	109.4	L157 Q158 A197 P359	L157-T199 HydrophobicContact CB-CG2 4.04Å; Q158-T199 PolarHBondContact OE1-O 3.01Å; A197-T199 VanDerWaalsContact C-N 3.32Å; A197-T199 PolarHBondContact O-N 2.8Å; T199-P359 HydrophobicContact CG2-CB 4.08Å; T199-P359 HydrophobicContact CG2-CG 3.96Å
200	Q	70.2	Confident	73	Confident	91 Å²	91	54.6 Å²	54.6	43%	0.425	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-102.6	151.3	166.7	-75.3	167.1	-43	0	0	108.6	Y155 Q158	Y155-Q200 WeakPolarHBondContact CD1-O 3.24Å; Q158-Q200 PolarHBondContact OE1-O 3.03Å
201	S	84.4	Confident	75.3	Confident	16 Å²	16	49.3 Å²	49.3	11%	0.112	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-89	161.8	167.5	37.5	0	0	0	0	108.4	D124 Q158	D124-S201 WeakPolarHBondContact OD2-CB 3.44Å; D124-S201 PolarHBondContact OD2-OG 3.46Å; Q158-S201 PolarHBondContact NE2-OG 3.4Å
202	G	92.3	Very high	77.6	Confident	9 Å²	9	49 Å²	49	9%	0.093	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	176.1	-177.6	0	0	0	0	0	112.8	E125 Y155	E125-G202 CarbonylContact O-C 3.58Å; E125-G202 WeakPolarHBondContact O-CA 3.2Å; Y155-G202 WeakPolarHBondContact CD2-O 3.11Å
203	D	94	Very high	79.9	Confident	17 Å²	17	42.9 Å²	42.9	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.8	178.2	-73.7	-68.4	0	0	0	111.4	K118 F121 G122 E125 V126 T127 Y155	K118-D203 WeakPolarHBondContact CE-OD1 3.32Å; K118-D203 IonicContact NZ-OD1 3.77Å; F121-D203 WeakPolarHBondContact CA-OD2 3.49Å; F121-D203 HydrophobicContact CD2-CB 3.76Å; F121-D203 WeakPolarHBondContact CD2-OD1 3.36Å; F121-D203 WeakPolarHBondContact CD2-OD2 3.48Å; F121-D203 HydrophobicContact CE2-CB 3.36Å; F121-D203 HydrophobicContact CZ-CB 3.96Å; G122-D203 PolarHBondContact N-OD2 3.04Å; E125-D203 PolarHBondContact O-N 3.44Å; V126-D203 HydrophobicContact CG2-CB 4.27Å; T127-D203 PolarHBondContact N-O 3.46Å; Y155-D203 WeakPolarHBondContact CE2-O 3.43Å
204	I	95.8	Very high	81.9	Confident	5 Å²	5	41 Å²	41	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.9	178.7	175	163.7	0	0	0	110.7	P97 T127 I129 V148 Y151 M152 V206	P97-I204 WeakPolarHBondContact CD-O 3.35Å; P97-I204 HydrophobicContact CG-CB 4.38Å; P97-I204 HydrophobicContact CG-CG1 4.28Å; P97-I204 HydrophobicContact CG-CG2 3.34Å; T127-I204 CarbonylContact O-C 3.57Å; T127-I204 WeakPolarHBondContact O-CA 3.22Å; I129-I204 HydrophobicContact CD1-CD1 3.77Å; I129-I204 HydrophobicContact CD1-CG1 4.41Å; V148-I204 HydrophobicContact CB-CD1 4.29Å; V148-I204 HydrophobicContact CG1-CD1 4.25Å; V148-I204 HydrophobicContact CG2-CD1 4.09Å; Y151-I204 HydrophobicContact CD2-CD1 4.42Å; Y151-I204 HydrophobicContact CG-CD1 4.27Å; M152-I204 HydrophobicContact SD-CG2 3.71Å; I204-V206 HydrophobicContact CG1-CG2 4.41Å
205	I	97.7	Very high	83.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.8	172.4	-62.2	-174.2	0	0	0	108	V94 V96 L115 F121 V126 T127 I128 I129 I207 W234 M238	V94-I205 HydrophobicContact CG1-CG2 3.31Å; V96-I205 HydrophobicContact CG2-CG1 4.29Å; L115-I205 HydrophobicContact CD1-CD1 3.81Å; L115-I205 HydrophobicContact CD2-CD1 4.46Å; F121-I205 HydrophobicContact CE1-CD1 4.48Å; F121-I205 HydrophobicContact CE2-CD1 4.38Å; F121-I205 HydrophobicContact CE2-CG1 4.3Å; F121-I205 HydrophobicContact CZ-CD1 3.64Å; F121-I205 HydrophobicContact CZ-CG1 3.98Å; V126-I205 HydrophobicContact CG1-CD1 4.24Å; V126-I205 HydrophobicContact CG1-CG1 4.4Å; T127-I205 PolarHBondContact O-N 3.46Å; I128-I205 CarbonylContact C-O 3.58Å; I128-I205 WeakPolarHBondContact CA-O 3.42Å; I128-I205 HydrophobicContact CG1-CB 4.31Å; I128-I205 HydrophobicContact CG2-CG2 4.39Å; I129-I205 PolarHBondContact N-O 3.01Å; I205-I207 HydrophobicContact CG2-CG1 4.45Å; I205-W234 HydrophobicContact CD1-CH2 4.01Å; I205-W234 HydrophobicContact CG2-CH2 4.08Å; I205-M238 HydrophobicContact CD1-CE 4.42Å; I205-M238 HydrophobicContact CD1-SD 3.56Å; I205-M238 VanDerWaalsContact CD1-SD 3.56Å
206	V	98.5	Very high	85.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.9	169.7	-174	0	0	0	0	110	V94 Y95 I129 T131 V148 I204	V94-V206 CarbonylContact C-O 3.57Å; V94-V206 VanDerWaalsContact CA-O 3.26Å; V94-V206 WeakPolarHBondContact CA-O 3.42Å; V94-V206 WeakPolarHBondContact CG1-O 3.46Å; Y95-V206 HydrophobicContact CD1-CB 3.95Å; Y95-V206 HydrophobicContact CD1-CG1 4.25Å; Y95-V206 HydrophobicContact CD2-CB 4.03Å; Y95-V206 HydrophobicContact CD2-CG2 4.17Å; Y95-V206 HydrophobicContact CE1-CB 3.54Å; Y95-V206 HydrophobicContact CE1-CG1 3.49Å; Y95-V206 VanDerWaalsContact CE1-CG1 3.49Å; Y95-V206 HydrophobicContact CE1-CG2 4.22Å; Y95-V206 HydrophobicContact CE2-CB 3.6Å; Y95-V206 HydrophobicContact CE2-CG1 4.29Å; Y95-V206 HydrophobicContact CE2-CG2 3.44Å; Y95-V206 VanDerWaalsContact CE2-CG2 3.44Å; Y95-V206 HydrophobicContact CG-CB 4.19Å; Y95-V206 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V206 PolarHBondContact N-O 3.13Å; Y95-V206 PolarHBondContact O-N 2.92Å; I129-V206 HydrophobicContact CB-CG1 4.37Å; I129-V206 HydrophobicContact CB-CG2 4.27Å; I129-V206 HydrophobicContact CD1-CG2 4.3Å; I129-V206 CarbonylContact O-C 3.51Å; I129-V206 WeakPolarHBondContact O-CA 3.39Å; T131-V206 HydrophobicContact CG2-CG1 3.87Å; V148-V206 HydrophobicContact CG2-CG2 3.84Å; I204-V206 HydrophobicContact CG1-CG2 4.41Å
207	I	98.6	Very high	87.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	105.3	169.2	-58	179.5	0	0	0	107.1	I92 V94 L108 I128 I129 V130 T131 I205 L209 I231 W234	I92-I207 HydrophobicContact CG2-CG2 3.65Å; V94-I207 HydrophobicContact CG1-CG1 4.41Å; V94-I207 HydrophobicContact CG2-CG1 4.27Å; L108-I207 HydrophobicContact CD2-CD1 4.4Å; I128-I207 HydrophobicContact CG2-CD1 3.68Å; I128-I207 HydrophobicContact CG2-CG1 3.93Å; I129-I207 PolarHBondContact O-N 3.2Å; V130-I207 HydrophobicContact CG2-CB 4.41Å; V130-I207 HydrophobicContact CG2-CD1 4.32Å; T131-I207 PolarHBondContact N-O 2.63Å; T131-I207 VanDerWaalsContact N-O 3.08Å; T131-I207 PolarHBondContact OG1-O 3.37Å; I205-I207 HydrophobicContact CG2-CG1 4.45Å; I207-L209 PolarHBondContact O-N 2.96Å; I207-I231 HydrophobicContact CD1-CD1 4.45Å; I207-I231 HydrophobicContact CD1-CG1 4.41Å; I207-I231 HydrophobicContact CD1-CG2 3.63Å; I207-I231 HydrophobicContact CG2-CD1 4.02Å; I207-W234 HydrophobicContact CD1-CE3 4.17Å; I207-W234 HydrophobicContact CD1-CZ3 3.9Å; I207-W234 HydrophobicContact CG1-CZ3 4.46Å
208	D	97.8	Very high	88.9	Confident	29 Å²	29	39.2 Å²	39.2	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	60.6	-175.5	-169.7	8.6	0	0	0	111.8	Q93 T131 Q135 G210 S211	Q93-D208 PolarHBondContact O-N 2.8Å; T131-D208 WeakPolarHBondContact OG1-CA 3.47Å; T131-D208 PolarHBondContact OG1-OD1 3.04Å; T131-D208 VanDerWaalsContact OG1-OD1 3.09Å; Q135-D208 WeakPolarHBondContact CG-OD1 3.48Å; D208-G210 VanDerWaalsContact C-N 3.27Å; D208-G210 PolarHBondContact O-N 2.83Å; D208-S211 PolarHBondContact O-N 2.94Å; D208-S211 PolarHBondContact O-OG 2.85Å; D208-S211 PolarHBondContact OD1-N 3.45Å; D208-S211 VanDerWaalsContact OD1-N 3.17Å; D208-S211 WeakPolarHBondContact OD2-CB 3.5Å
209	L	98.3	Very high	90.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.7	-37.5	175.2	163.3	68.7	0	0	0	111.1	P89 I92 V130 T131 I207 S211 K212 L213 L222 T227 V260	P89-L209 HydrophobicContact CB-CD1 4.22Å; P89-L209 HydrophobicContact CG-CD1 3.65Å; I92-L209 HydrophobicContact CD1-CD1 4.28Å; V130-L209 HydrophobicContact CG1-CB 4.16Å; V130-L209 HydrophobicContact CG1-CD2 3.87Å; T131-L209 VanDerWaalsContact O-CB 3.23Å; T131-L209 WeakPolarHBondContact O-CB 3.36Å; T131-L209 PolarHBondContact OG1-N 3.32Å; I207-L209 PolarHBondContact O-N 2.96Å; L209-S211 PolarHBondContact O-N 3.02Å; L209-K212 WeakPolarHBondContact O-CA 3.29Å; L209-K212 WeakPolarHBondContact O-CB 3.11Å; L209-K212 PolarHBondContact O-N 2.98Å; L209-L213 HydrophobicContact CD1-CD2 4.4Å; L209-L213 HydrophobicContact CG-CD1 4.26Å; L209-L213 HydrophobicContact CG-CG 4.49Å; L209-L222 HydrophobicContact CD2-CD2 4.44Å; L209-T227 HydrophobicContact CD1-CG2 4.13Å; L209-T227 HydrophobicContact CD2-CG2 4.47Å; L209-V260 HydrophobicContact CD2-CB 4.23Å; L209-V260 HydrophobicContact CD2-CG1 4.14Å; L209-V260 HydrophobicContact CD2-CG2 3.89Å
210	G	96.9	Very high	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-53	-34.9	177.1	0	0	0	0	0	114	T131 L133 P134 D208 K212 L213	T131-G210 PolarHBondContact O-N 2.95Å; T131-G210 VanDerWaalsContact O-N 3.14Å; T131-G210 WeakPolarHBondContact OG1-CA 3.48Å; T131-G210 PolarHBondContact OG1-N 3.3Å; L133-G210 WeakPolarHBondContact O-CA 3.31Å; P134-G210 WeakPolarHBondContact CA-O 3.48Å; D208-G210 VanDerWaalsContact C-N 3.27Å; D208-G210 PolarHBondContact O-N 2.83Å; G210-K212 PolarHBondContact O-N 2.88Å; G210-K212 VanDerWaalsContact O-N 3.14Å; G210-L213 PolarHBondContact O-N 3.4Å
211	S	95.4	Very high	93.1	Very high	43 Å²	43	26.1 Å²	26.1	30%	0.301	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-58.5	-23.7	173.1	71.5	0	0	0	0	114.3	D208 L209	D208-S211 PolarHBondContact O-N 2.94Å; D208-S211 PolarHBondContact O-OG 2.85Å; D208-S211 PolarHBondContact OD1-N 3.45Å; D208-S211 VanDerWaalsContact OD1-N 3.17Å; D208-S211 WeakPolarHBondContact OD2-CB 3.5Å; L209-S211 PolarHBondContact O-N 3.02Å
212	K	96.2	Very high	93.6	Very high	55 Å²	55	25.6 Å²	25.6	24%	0.239	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-94.1	-5.2	178.7	-57.4	-60.5	-177.4	171.9	0	113.8	Y87 P89 S90 G91 I92 L209 G210 N214	Y87-K212 PolarHBondContact OH-O 3.31Å; P89-K212 HydrophobicContact CB-CB 3.87Å; P89-K212 HydrophobicContact CB-CG 4.14Å; P89-K212 HydrophobicContact CG-CB 4.38Å; S90-K212 VanDerWaalsContact O-CE 3.31Å; S90-K212 WeakPolarHBondContact O-CE 3.45Å; S90-K212 PolarHBondContact O-NZ 3.44Å; G91-K212 WeakPolarHBondContact O-CE 3.48Å; G91-K212 PolarHBondContact O-NZ 2.94Å; I92-K212 HydrophobicContact CG1-CG 4.32Å; L209-K212 WeakPolarHBondContact O-CA 3.29Å; L209-K212 WeakPolarHBondContact O-CB 3.11Å; L209-K212 PolarHBondContact O-N 2.98Å; G210-K212 PolarHBondContact O-N 2.88Å; G210-K212 VanDerWaalsContact O-N 3.14Å; K212-N214 VanDerWaalsContact C-N 3.34Å
213	L	94.4	Very high	93.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.			trans	-99.6	28.8	-179.4	-54.6	-178.3	0	0	0	111.9	Y87 G132 P134 L209 G210 T215 Y219 L222 V256	Y87-L213 HydrophobicContact CD1-CD2 4.48Å; Y87-L213 HydrophobicContact CE1-CD2 4.01Å; G132-L213 WeakPolarHBondContact O-CD1 3.45Å; P134-L213 HydrophobicContact CG-CB 4.43Å; P134-L213 WeakPolarHBondContact CG-O 3.31Å; L209-L213 HydrophobicContact CD1-CD2 4.4Å; L209-L213 HydrophobicContact CG-CD1 4.26Å; L209-L213 HydrophobicContact CG-CG 4.49Å; G210-L213 PolarHBondContact O-N 3.4Å; L213-T215 PolarHBondContact O-N 3.27Å; L213-Y219 HydrophobicContact CD1-CD2 4.3Å; L213-L222 HydrophobicContact CD1-CD2 4.41Å; L213-L222 HydrophobicContact CD2-CD1 4.06Å; L213-L222 HydrophobicContact CD2-CD2 4.19Å; L213-V256 HydrophobicContact CD1-CG1 3.7Å
214	N	88.4	Confident	94	Very high	88 Å²	88	25 Å²	25	47%	0.471	13%	0.125	S	C	.	.			trans	-64.3	-3.5	-169.6	66	-19.9	0	0	0	116.5	K212 R218	K212-N214 VanDerWaalsContact C-N 3.34Å; N214-R218 WeakPolarHBondContact OD1-CD 3.3Å; N214-R218 PolarHBondContact OD1-NH1 3.11Å
215	T	86.7	Confident	94	Very high	64 Å²	64	27 Å²	27	39%	0.393	14%	0.135	S	C	.	.	S	Bend	trans	-128.4	152.1	169.7	67.5	0	0	0	0	109.4	L213 E217 R218 Y219	L213-T215 PolarHBondContact O-N 3.27Å; T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact O-N 3.03Å; T215-R218 PolarHBondContact O-N 3.31Å; T215-R218 WeakPolarHBondContact OG1-CG 3.39Å; T215-R218 PolarHBondContact OG1-N 3.25Å; T215-Y219 PolarHBondContact O-N 2.84Å
216	Y	85.7	Confident	93.9	Very high	18 Å²	18	33.1 Å²	33.1	7%	0.071	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-31.9	177.5	-176.2	-97.4	0	0	0	112.4	L50 F53 L70 V73 R218 Y219 A220	L50-Y216 HydrophobicContact CD1-CD1 3.43Å; L50-Y216 VanDerWaalsContact CD1-CD1 3.43Å; L50-Y216 HydrophobicContact CD1-CE1 3.46Å; L50-Y216 VanDerWaalsContact CD1-CE1 3.46Å; L50-Y216 HydrophobicContact CG-CD1 4Å; L50-Y216 HydrophobicContact CG-CE1 4.5Å; F53-Y216 HydrophobicContact CB-CD1 3.76Å; F53-Y216 HydrophobicContact CB-CD2 4.34Å; F53-Y216 HydrophobicContact CB-CE1 4.36Å; F53-Y216 HydrophobicContact CB-CG 3.75Å; F53-Y216 HydrophobicContact CG-CD1 4.37Å; F53-Y216 WeakPolarHBondContact O-CB 3.42Å; L70-Y216 HydrophobicContact CD2-CE2 4.12Å; V73-Y216 HydrophobicContact CG1-CE1 4.06Å; V73-Y216 WeakPolarHBondContact CG1-OH 3.47Å; Y216-R218 PolarHBondContact O-N 3.08Å; Y216-Y219 HydrophobicContact CD2-CD1 4Å; Y216-Y219 AromaticContact CE2-CD1 3.94Å; Y216-Y219 HydrophobicContact CE2-CD1 3.94Å; Y216-Y219 HydrophobicContact CE2-CE1 4.18Å; Y216-Y219 PolarHBondContact O-N 2.68Å; Y216-A220 HydrophobicContact CD1-CB 4.32Å; Y216-A220 HydrophobicContact CE1-CB 4.08Å; Y216-A220 WeakPolarHBondContact O-CB 3.06Å; Y216-A220 PolarHBondContact O-N 3.4Å
217	E	86.9	Confident	93.9	Very high	83 Å²	83	33.1 Å²	33.1	39%	0.388	16%	0.161	S	C	.	.	H	α-helix	trans	-56.9	-49.7	171.3	-173.6	-172.3	-166.2	0	0	111.6	L50 T215 Y219 A220 M221	L50-E217 HydrophobicContact CD2-CB 4.11Å; L50-E217 HydrophobicContact CD2-CG 4.21Å; T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact O-N 3.03Å; E217-Y219 VanDerWaalsContact C-N 3.31Å; E217-Y219 PolarHBondContact O-N 2.92Å; E217-A220 PolarHBondContact O-N 3.37Å; E217-M221 HydrophobicContact CG-CG 4.16Å; E217-M221 VanDerWaalsContact O-CB 3.29Å; E217-M221 WeakPolarHBondContact O-CB 3.43Å; E217-M221 VanDerWaalsContact O-CG 3.29Å; E217-M221 WeakPolarHBondContact O-CG 3.43Å; E217-M221 PolarHBondContact O-N 3.16Å
218	R	92.1	Very high	93.9	Very high	95 Å²	95	33.1 Å²	33.1	36%	0.358	16%	0.161	S	C	.	.	H	α-helix	trans	-62.6	-38.3	177.4	-76.9	176.2	173.9	-171	-3.8	112.5	Y87 N214 T215 Y216 L222	Y87-R218 HydrophobicContact CD1-CB 3.76Å; Y87-R218 HydrophobicContact CD1-CG 3.98Å; Y87-R218 VanDerWaalsContact CD1-O 3.28Å; Y87-R218 WeakPolarHBondContact CD1-O 3.47Å; Y87-R218 HydrophobicContact CD2-CG 4.11Å; Y87-R218 HydrophobicContact CE1-CB 3.62Å; Y87-R218 HydrophobicContact CE1-CG 3.78Å; Y87-R218 HydrophobicContact CE2-CG 3.96Å; Y87-R218 HydrophobicContact CG-CB 4.32Å; Y87-R218 HydrophobicContact CG-CG 4.12Å; N214-R218 WeakPolarHBondContact OD1-CD 3.3Å; N214-R218 PolarHBondContact OD1-NH1 3.11Å; T215-R218 PolarHBondContact O-N 3.31Å; T215-R218 WeakPolarHBondContact OG1-CG 3.39Å; T215-R218 PolarHBondContact OG1-N 3.25Å; Y216-R218 PolarHBondContact O-N 3.08Å; R218-L222 PolarHBondContact O-N 3.31Å
219	Y	92.5	Very high	93.9	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-48.3	174.3	169.2	-89.6	0	0	0	111.7	L133 L213 T215 Y216 E217 N255 V256 S285	L133-Y219 HydrophobicContact CD2-CD2 4.37Å; L133-Y219 HydrophobicContact CD2-CE2 3.82Å; L213-Y219 HydrophobicContact CD1-CD2 4.3Å; T215-Y219 PolarHBondContact O-N 2.84Å; Y216-Y219 HydrophobicContact CD2-CD1 4Å; Y216-Y219 AromaticContact CE2-CD1 3.94Å; Y216-Y219 HydrophobicContact CE2-CD1 3.94Å; Y216-Y219 HydrophobicContact CE2-CE1 4.18Å; Y216-Y219 PolarHBondContact O-N 2.68Å; E217-Y219 VanDerWaalsContact C-N 3.31Å; E217-Y219 PolarHBondContact O-N 2.92Å; Y219-N255 WeakPolarHBondContact CE2-OD1 3.39Å; Y219-N255 PolarHBondContact OH-OD1 3.26Å; Y219-V256 HydrophobicContact CD2-CB 4.46Å; Y219-V256 HydrophobicContact CD2-CG1 4.03Å; Y219-V256 HydrophobicContact CE2-CB 3.81Å; Y219-V256 HydrophobicContact CE2-CG1 3.78Å; Y219-S285 WeakPolarHBondContact OH-CB 3.39Å; Y219-S285 PolarHBondContact OH-OG 3.32Å
220	A	89.9	Confident	93.9	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	18%	0.179	C	C	.	.	H	α-helix	trans	-74.9	-32.9	-173.8	0	0	0	0	0	113.3	Y216 E217 V288 A289	Y216-A220 HydrophobicContact CD1-CB 4.32Å; Y216-A220 HydrophobicContact CE1-CB 4.08Å; Y216-A220 WeakPolarHBondContact O-CB 3.06Å; Y216-A220 PolarHBondContact O-N 3.4Å; E217-A220 PolarHBondContact O-N 3.37Å; A220-V288 HydrophobicContact CB-CB 4.1Å; A220-V288 HydrophobicContact CB-CG1 4.11Å; A220-V288 HydrophobicContact CB-CG2 4.23Å; A220-A289 VanDerWaalsContact O-CB 3.3Å; A220-A289 WeakPolarHBondContact O-CB 3.34Å; A220-A289 PolarHBondContact O-N 3.23Å
221	M	92.2	Very high	94	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.02	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	11.3	-178.5	-53.9	-62.7	131.7	0	0	113.3	L9 V83 P85 N86 Y87 E217 D223 V288 A289	L9-M221 HydrophobicContact CD1-CE 3.8Å; L9-M221 HydrophobicContact CD1-SD 4.08Å; L9-M221 HydrophobicContact CD2-CE 3.99Å; V83-M221 HydrophobicContact CG1-CE 3.57Å; V83-M221 HydrophobicContact CG1-SD 3.65Å; P85-M221 WeakPolarHBondContact CA-O 3.48Å; N86-M221 PolarHBondContact N-O 3.42Å; N86-M221 WeakPolarHBondContact OD1-CB 3.16Å; Y87-M221 PolarHBondContact N-O 3.44Å; E217-M221 HydrophobicContact CG-CG 4.16Å; E217-M221 VanDerWaalsContact O-CB 3.29Å; E217-M221 WeakPolarHBondContact O-CB 3.43Å; E217-M221 VanDerWaalsContact O-CG 3.29Å; E217-M221 WeakPolarHBondContact O-CG 3.43Å; E217-M221 PolarHBondContact O-N 3.16Å; M221-D223 PolarHBondContact O-N 3.25Å; M221-V288 HydrophobicContact CE-CG1 4.27Å; M221-A289 HydrophobicContact SD-CB 3.98Å
222	L	95.5	Very high	94.1	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-57.6	123.4	177.5	-179	65.2	0	0	0	110.5	Y87 P89 L209 L213 R218 I224 T227 V256 V260	Y87-L222 HydrophobicContact CD1-CD1 4.09Å; P89-L222 HydrophobicContact CG-CD1 3.68Å; L209-L222 HydrophobicContact CD2-CD2 4.44Å; L213-L222 HydrophobicContact CD1-CD2 4.41Å; L213-L222 HydrophobicContact CD2-CD1 4.06Å; L213-L222 HydrophobicContact CD2-CD2 4.19Å; R218-L222 PolarHBondContact O-N 3.31Å; L222-I224 PolarHBondContact O-N 2.82Å; L222-I224 VanDerWaalsContact O-N 3.08Å; L222-T227 HydrophobicContact CD1-CG2 4.48Å; L222-V256 HydrophobicContact CD2-CG1 4Å; L222-V256 HydrophobicContact CD2-CG2 4.01Å; L222-V260 HydrophobicContact CD2-CG2 3.99Å
223	D	96.6	Very high	94.2	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.032	18%	0.176	C	C	.	.			trans	-78.4	92.4	170.2	-170.3	-33.3	0	0	0	108.8	P85 Y87 V88 M221 E225 K226 T227	P85-D223 HydrophobicContact CB-CB 3.9Å; P85-D223 HydrophobicContact CG-CB 4.39Å; Y87-D223 PolarHBondContact O-N 3.44Å; V88-D223 HydrophobicContact CG2-CB 3.8Å; M221-D223 PolarHBondContact O-N 3.25Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.4Å; D223-E225 PolarHBondContact OD1-N 3.26Å; D223-K226 HydrophobicContact CB-CB 4.34Å; D223-K226 WeakPolarHBondContact OD1-CB 3.37Å; D223-K226 WeakPolarHBondContact OD1-CG 3.41Å; D223-K226 PolarHBondContact OD1-N 2.95Å; D223-K226 WeakPolarHBondContact OD2-CD 3.39Å; D223-K226 VanDerWaalsContact OD2-CE 3.32Å; D223-K226 WeakPolarHBondContact OD2-CE 3.29Å; D223-K226 WeakPolarHBondContact OD2-CG 3.34Å; D223-K226 IonicContact OD2-NZ 2.63Å; D223-K226 PolarHBondContact OD2-NZ 3.08Å; D223-T227 WeakPolarHBondContact O-CB 3.34Å; D223-T227 PolarHBondContact O-N 3.09Å; D223-T227 PolarHBondContact O-OG1 2.99Å
224	I	97.2	Very high	94.4	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.036	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-46.9	-177.4	-72	164.8	0	0	0	110.7	L222 T227 G228 V256 H259 A263 I287	L222-I224 PolarHBondContact O-N 2.82Å; L222-I224 VanDerWaalsContact O-N 3.08Å; I224-T227 PolarHBondContact O-N 3Å; I224-G228 PolarHBondContact O-N 3.48Å; I224-V256 HydrophobicContact CD1-CG2 4.33Å; I224-V256 HydrophobicContact CG1-CG2 4.42Å; I224-H259 HydrophobicContact CD1-CB 3.84Å; I224-H259 HydrophobicContact CG1-CB 4.24Å; I224-H259 HydrophobicContact CG2-CB 3.69Å; I224-A263 HydrophobicContact CG2-CB 4.25Å; I224-I287 HydrophobicContact CD1-CB 4.38Å; I224-I287 HydrophobicContact CD1-CD1 3.72Å; I224-I287 HydrophobicContact CD1-CG1 3.75Å; I224-I287 HydrophobicContact CD1-CG2 3.76Å
225	E	96.1	Very high	94.8	Very high	47 Å²	47	33.5 Å²	33.5	22%	0.22	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-48.5	-175.1	-59.9	-49.4	132	0	0	111.9	D223 T227 G228 A229 T294 T296	D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.4Å; D223-E225 PolarHBondContact OD1-N 3.26Å; E225-T227 VanDerWaalsContact C-N 3.32Å; E225-T227 PolarHBondContact O-N 2.86Å; E225-G228 PolarHBondContact O-N 3.42Å; E225-A229 VanDerWaalsContact O-CB 3.28Å; E225-A229 WeakPolarHBondContact O-CB 3.19Å; E225-A229 PolarHBondContact O-N 3.38Å; E225-T294 HydrophobicContact CG-CG2 3.83Å; E225-T296 WeakPolarHBondContact OE1-CA 3.23Å; E225-T296 WeakPolarHBondContact OE1-CB 3.13Å; E225-T296 PolarHBondContact OE1-OG1 3.44Å
226	K	96.8	Very high	95.4	Very high	128 Å²	128	31.3 Å²	31.3	56%	0.557	14%	0.142	S	C	*	.	H	α-helix	trans	-67.1	-35.8	178.4	-68.7	-171.5	-166.3	118.2	0	112.1	V88 D223 K230	V88-K226 HydrophobicContact CG1-CB 4.4Å; V88-K226 HydrophobicContact CG2-CB 3.81Å; V88-K226 HydrophobicContact CG2-CD 3.91Å; V88-K226 HydrophobicContact CG2-CG 4.49Å; D223-K226 HydrophobicContact CB-CB 4.34Å; D223-K226 WeakPolarHBondContact OD1-CB 3.37Å; D223-K226 WeakPolarHBondContact OD1-CG 3.41Å; D223-K226 PolarHBondContact OD1-N 2.95Å; D223-K226 WeakPolarHBondContact OD2-CD 3.39Å; D223-K226 VanDerWaalsContact OD2-CE 3.32Å; D223-K226 WeakPolarHBondContact OD2-CE 3.29Å; D223-K226 WeakPolarHBondContact OD2-CG 3.34Å; D223-K226 IonicContact OD2-NZ 2.63Å; D223-K226 PolarHBondContact OD2-NZ 3.08Å; K226-K230 PolarHBondContact O-N 3.35Å; K226-K230 VanDerWaalsContact O-N 3.12Å
227	T	97.9	Very high	95.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-45.3	176.9	-56	0	0	0	0	110.9	P89 I92 L209 L222 D223 I224 E225 K230 I231 V260	P89-T227 VanDerWaalsContact CD-OG1 3.31Å; P89-T227 WeakPolarHBondContact CD-OG1 3.47Å; P89-T227 HydrophobicContact CG-CG2 4.43Å; I92-T227 HydrophobicContact CD1-CG2 4.5Å; L209-T227 HydrophobicContact CD1-CG2 4.13Å; L209-T227 HydrophobicContact CD2-CG2 4.47Å; L222-T227 HydrophobicContact CD1-CG2 4.48Å; D223-T227 WeakPolarHBondContact O-CB 3.34Å; D223-T227 PolarHBondContact O-N 3.09Å; D223-T227 PolarHBondContact O-OG1 2.99Å; I224-T227 PolarHBondContact O-N 3Å; E225-T227 VanDerWaalsContact C-N 3.32Å; E225-T227 PolarHBondContact O-N 2.86Å; T227-K230 WeakPolarHBondContact O-CB 3.19Å; T227-K230 PolarHBondContact O-N 3.32Å; T227-I231 HydrophobicContact CG2-CD1 4.46Å; T227-I231 PolarHBondContact O-N 3.24Å; T227-I231 VanDerWaalsContact O-N 3.13Å; T227-V260 HydrophobicContact CG2-CG1 3.91Å; T227-V260 HydrophobicContact CG2-CG2 4.29Å
228	G	98.2	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-47.8	173.9	0	0	0	0	0	111.3	I224 E225 K230 I231 G232 A264	I224-G228 PolarHBondContact O-N 3.48Å; E225-G228 PolarHBondContact O-N 3.42Å; G228-K230 VanDerWaalsContact C-N 3.27Å; G228-K230 PolarHBondContact O-N 2.85Å; G228-I231 CarbonylContact O-C 3.19Å; G228-I231 PolarHBondContact O-N 3.16Å; G228-G232 PolarHBondContact O-N 3.05Å; G228-A264 VanDerWaalsContact O-CA 3.31Å; G228-A264 WeakPolarHBondContact O-CA 3.26Å; G228-A264 WeakPolarHBondContact O-CB 3.41Å
229	A	97.8	Very high	96.6	Very high	23 Å²	23	26 Å²	26	19%	0.19	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-36.7	177.8	0	0	0	0	0	113	E225 K233 E267	E225-A229 VanDerWaalsContact O-CB 3.28Å; E225-A229 WeakPolarHBondContact O-CB 3.19Å; E225-A229 PolarHBondContact O-N 3.38Å; A229-K233 WeakPolarHBondContact O-CB 3.36Å; A229-K233 VanDerWaalsContact O-CG 3.26Å; A229-K233 WeakPolarHBondContact O-CG 3.33Å; A229-K233 PolarHBondContact O-N 3.13Å; A229-E267 HydrophobicContact CB-CB 4.38Å; A229-E267 HydrophobicContact CB-CG 4.09Å
230	K	98.2	Very high	96.7	Very high	75 Å²	75	30 Å²	30	33%	0.326	15%	0.145	S	C	.	.	H	α-helix	trans	-65.1	-42.4	174.7	-178.2	176.7	177.7	175.7	0	112.1	P89 K226 T227 G228 W234	P89-K230 PolarHBondContact O-NZ 3.24Å; K226-K230 PolarHBondContact O-N 3.35Å; K226-K230 VanDerWaalsContact O-N 3.12Å; T227-K230 WeakPolarHBondContact O-CB 3.19Å; T227-K230 PolarHBondContact O-N 3.32Å; G228-K230 VanDerWaalsContact C-N 3.27Å; G228-K230 PolarHBondContact O-N 2.85Å; K230-W234 PolarHBondContact O-N 3.17Å
231	I	98.5	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-42.6	177.4	-69.7	169.5	0	0	0	110.6	V130 I207 T227 G228 K233 W234 I235 V260 A264	V130-I231 HydrophobicContact CG1-CD1 4.44Å; I207-I231 HydrophobicContact CD1-CD1 4.45Å; I207-I231 HydrophobicContact CD1-CG1 4.41Å; I207-I231 HydrophobicContact CD1-CG2 3.63Å; I207-I231 HydrophobicContact CG2-CD1 4.02Å; T227-I231 HydrophobicContact CG2-CD1 4.46Å; T227-I231 PolarHBondContact O-N 3.24Å; T227-I231 VanDerWaalsContact O-N 3.13Å; G228-I231 CarbonylContact O-C 3.19Å; G228-I231 PolarHBondContact O-N 3.16Å; I231-K233 PolarHBondContact O-N 3.38Å; I231-W234 CarbonylContact O-C 3.52Å; I231-W234 WeakPolarHBondContact O-CA 3.27Å; I231-W234 WeakPolarHBondContact O-CB 3.37Å; I231-W234 PolarHBondContact O-N 2.88Å; I231-W234 VanDerWaalsContact O-N 3.08Å; I231-I235 HydrophobicContact CG2-CD1 3.93Å; I231-I235 HydrophobicContact CG2-CG1 4.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.3Å; I231-I235 PolarHBondContact O-N 3.07Å; I231-V260 HydrophobicContact CD1-CG1 3.62Å; I231-A264 HydrophobicContact CB-CB 4.08Å; I231-A264 HydrophobicContact CG2-CB 3.86Å
232	G	98.3	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-47.2	176.8	0	0	0	0	0	112.2	G228 W234 I235 V236 A264	G228-G232 PolarHBondContact O-N 3.05Å; G232-W234 VanDerWaalsContact C-N 3.28Å; G232-W234 PolarHBondContact O-N 2.89Å; G232-I235 PolarHBondContact O-N 2.92Å; G232-I235 VanDerWaalsContact O-N 3.15Å; G232-V236 WeakPolarHBondContact O-CG2 3.29Å; G232-V236 PolarHBondContact O-N 2.67Å; G232-A264 WeakPolarHBondContact CA-O 3.24Å
233	K	98.2	Very high	97	Very high	114 Å²	114	41.3 Å²	41.3	50%	0.496	20%	0.202	S	C	.	.	H	α-helix	trans	-57.5	-40.5	172.7	-74.7	172	-172.7	-178.5	0	112.8	A229 I231 V236 Q237 E267 L271	A229-K233 WeakPolarHBondContact O-CB 3.36Å; A229-K233 VanDerWaalsContact O-CG 3.26Å; A229-K233 WeakPolarHBondContact O-CG 3.33Å; A229-K233 PolarHBondContact O-N 3.13Å; I231-K233 PolarHBondContact O-N 3.38Å; K233-V236 PolarHBondContact O-N 3.47Å; K233-Q237 PolarHBondContact O-N 2.86Å; K233-E267 WeakPolarHBondContact CE-OE1 3.25Å; K233-E267 HydrophobicContact CG-CG 4.33Å; K233-L271 HydrophobicContact CG-CD1 3.68Å
234	W	98.1	Very high	96.8	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.038	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-39.7	176.6	176	80.8	0	0	0	112.1	V94 L108 M111 I112 I205 I207 K230 I231 G232 Q237 M238	V94-W234 HydrophobicContact CG1-CH2 4.48Å; L108-W234 HydrophobicContact CB-CG 4.42Å; L108-W234 HydrophobicContact CD2-CB 4.33Å; L108-W234 HydrophobicContact CD2-CD2 3.42Å; L108-W234 VanDerWaalsContact CD2-CD2 3.42Å; L108-W234 HydrophobicContact CD2-CE3 3.79Å; L108-W234 HydrophobicContact CD2-CG 3.65Å; L108-W234 HydrophobicContact CD2-CZ2 4.27Å; L108-W234 HydrophobicContact CD2-CZ3 4.36Å; L108-W234 VanDerWaalsContact O-CD1 3.31Å; L108-W234 PolarHBondContact O-NE1 3.34Å; M111-W234 HydrophobicContact CB-CZ2 4.1Å; M111-W234 HydrophobicContact CG-CZ2 4.07Å; I112-W234 HydrophobicContact CG1-CZ2 4.43Å; I205-W234 HydrophobicContact CD1-CH2 4.01Å; I205-W234 HydrophobicContact CG2-CH2 4.08Å; I207-W234 HydrophobicContact CD1-CE3 4.17Å; I207-W234 HydrophobicContact CD1-CZ3 3.9Å; I207-W234 HydrophobicContact CG1-CZ3 4.46Å; K230-W234 PolarHBondContact O-N 3.17Å; I231-W234 CarbonylContact O-C 3.52Å; I231-W234 WeakPolarHBondContact O-CA 3.27Å; I231-W234 WeakPolarHBondContact O-CB 3.37Å; I231-W234 PolarHBondContact O-N 2.88Å; I231-W234 VanDerWaalsContact O-N 3.08Å; G232-W234 VanDerWaalsContact C-N 3.28Å; G232-W234 PolarHBondContact O-N 2.89Å; W234-Q237 PolarHBondContact O-N 2.85Å; W234-M238 HydrophobicContact CH2-SD 3.68Å; W234-M238 HydrophobicContact CZ2-SD 4.16Å; W234-M238 HydrophobicContact CZ3-SD 4.12Å; W234-M238 WeakPolarHBondContact O-CB 3.26Å; W234-M238 PolarHBondContact O-N 3.24Å
235	I	98.1	Very high	96.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-44.8	174.1	-65.7	170.2	0	0	0	110.3	I128 I231 G232 Q237 M238 V239 I249 L251 F268 L276	I128-I235 HydrophobicContact CD1-CD1 4.17Å; I128-I235 HydrophobicContact CD1-CG1 4.07Å; I231-I235 HydrophobicContact CG2-CD1 3.93Å; I231-I235 HydrophobicContact CG2-CG1 4.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.3Å; I231-I235 PolarHBondContact O-N 3.07Å; G232-I235 PolarHBondContact O-N 2.92Å; G232-I235 VanDerWaalsContact O-N 3.15Å; I235-Q237 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 3.14Å; I235-M238 PolarHBondContact O-N 2.97Å; I235-V239 HydrophobicContact CG2-CG2 4.4Å; I235-V239 WeakPolarHBondContact O-CG2 3.49Å; I235-V239 PolarHBondContact O-N 3.22Å; I235-I249 HydrophobicContact CG2-CD1 3.66Å; I235-L251 HydrophobicContact CD1-CD1 4.39Å; I235-L251 HydrophobicContact CD1-CD2 4.34Å; I235-F268 HydrophobicContact CB-CD2 4.29Å; I235-F268 HydrophobicContact CG2-CD2 3.67Å; I235-F268 HydrophobicContact CG2-CE2 3.87Å; I235-L276 HydrophobicContact CG2-CD2 4.38Å
236	V	97.8	Very high	96	Very high	18 Å²	18	44.5 Å²	44.5	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-46.9	175.3	173.6	0	0	0	0	111.2	G232 K233 M238 V239 N240 F268 L271 T272	G232-V236 WeakPolarHBondContact O-CG2 3.29Å; G232-V236 PolarHBondContact O-N 2.67Å; K233-V236 PolarHBondContact O-N 3.47Å; V236-M238 PolarHBondContact O-N 3.43Å; V236-V239 PolarHBondContact O-N 3.08Å; V236-N240 WeakPolarHBondContact O-CB 3.17Å; V236-N240 VanDerWaalsContact O-CG 3.25Å; V236-N240 PolarHBondContact O-N 2.85Å; V236-N240 PolarHBondContact O-ND2 3.03Å; V236-F268 HydrophobicContact CG2-CB 4.41Å; V236-F268 HydrophobicContact CG2-CD2 3.48Å; V236-F268 VanDerWaalsContact CG2-CD2 3.48Å; V236-F268 HydrophobicContact CG2-CE2 4.06Å; V236-F268 HydrophobicContact CG2-CG 4.19Å; V236-L271 HydrophobicContact CG2-CB 4.01Å; V236-L271 HydrophobicContact CG2-CD1 4.01Å; V236-T272 HydrophobicContact CB-CG2 4.48Å; V236-T272 HydrophobicContact CG1-CG2 4.06Å; V236-T272 HydrophobicContact CG2-CG2 3.71Å
237	Q	97.5	Very high	95.6	Very high	82 Å²	82	43 Å²	43	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-45	177.3	-172.2	-173.1	-11.6	0	0	111.5	I112 K233 W234 I235 N240 E241	I112-Q237 HydrophobicContact CD1-CB 3.83Å; I112-Q237 HydrophobicContact CD1-CG 3.6Å; K233-Q237 PolarHBondContact O-N 2.86Å; W234-Q237 PolarHBondContact O-N 2.85Å; I235-Q237 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 3.14Å; Q237-N240 PolarHBondContact O-N 2.81Å; Q237-E241 HydrophobicContact CG-CG 4.33Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.45Å; Q237-E241 PolarHBondContact NE2-OE1 3.1Å; Q237-E241 VanDerWaalsContact O-CB 3.28Å; Q237-E241 WeakPolarHBondContact O-CB 2.89Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 2.78Å
238	M	96.7	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-48.1	178.9	-178.3	-175	73.8	0	0	111.1	I112 L115 I128 I205 W234 I235 V236 E241 L242 M244 I249	I112-M238 HydrophobicContact CD1-CB 3.99Å; I112-M238 HydrophobicContact CG1-CB 3.99Å; I112-M238 HydrophobicContact CG1-CG 4.34Å; L115-M238 HydrophobicContact CD1-CG 4.08Å; L115-M238 HydrophobicContact CD1-SD 3.76Å; I128-M238 HydrophobicContact CD1-CE 3.91Å; I205-M238 HydrophobicContact CD1-CE 4.42Å; I205-M238 HydrophobicContact CD1-SD 3.56Å; I205-M238 VanDerWaalsContact CD1-SD 3.56Å; W234-M238 HydrophobicContact CH2-SD 3.68Å; W234-M238 HydrophobicContact CZ2-SD 4.16Å; W234-M238 HydrophobicContact CZ3-SD 4.12Å; W234-M238 WeakPolarHBondContact O-CB 3.26Å; W234-M238 PolarHBondContact O-N 3.24Å; I235-M238 PolarHBondContact O-N 2.97Å; V236-M238 PolarHBondContact O-N 3.43Å; M238-E241 PolarHBondContact O-N 2.96Å; M238-L242 HydrophobicContact CG-CD1 3.59Å; M238-L242 HydrophobicContact CG-CG 4.49Å; M238-L242 VanDerWaalsContact O-CB 3.27Å; M238-L242 WeakPolarHBondContact O-CB 3.31Å; M238-L242 VanDerWaalsContact O-CG 3.3Å; M238-L242 WeakPolarHBondContact O-CG 3.28Å; M238-L242 PolarHBondContact O-N 3.19Å; M238-M244 HydrophobicContact CE-CE 4.14Å; M238-M244 HydrophobicContact CE-SD 4.13Å; M238-M244 HydrophobicContact CG-SD 4.39Å; M238-I249 HydrophobicContact CE-CD1 4.33Å
239	V	96	Very high	95.3	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-49.5	179.1	171	0	0	0	0	111.2	I235 V236 E241 L242 D243 M244 F246 I249 F268	I235-V239 HydrophobicContact CG2-CG2 4.4Å; I235-V239 WeakPolarHBondContact O-CG2 3.49Å; I235-V239 PolarHBondContact O-N 3.22Å; V236-V239 PolarHBondContact O-N 3.08Å; V239-E241 PolarHBondContact O-N 3.36Å; V239-L242 PolarHBondContact O-N 3.09Å; V239-D243 WeakPolarHBondContact O-CA 3.31Å; V239-D243 PolarHBondContact O-N 3.5Å; V239-M244 HydrophobicContact CB-CB 4.45Å; V239-M244 HydrophobicContact CG1-CB 4.06Å; V239-M244 WeakPolarHBondContact CG1-O 3.32Å; V239-M244 HydrophobicContact CG2-CB 4.34Å; V239-M244 PolarHBondContact O-N 3.08Å; V239-M244 VanDerWaalsContact O-N 3.09Å; V239-F246 HydrophobicContact CB-CD1 4.33Å; V239-F246 HydrophobicContact CB-CE1 4.27Å; V239-F246 HydrophobicContact CG1-CD1 3.43Å; V239-F246 VanDerWaalsContact CG1-CD1 3.43Å; V239-F246 HydrophobicContact CG1-CE1 3.37Å; V239-I249 HydrophobicContact CG2-CD1 3.52Å; V239-F268 HydrophobicContact CG2-CE2 4.25Å
240	N	95.5	Very high	95.3	Very high	103 Å²	103	42.9 Å²	42.9	55%	0.551	22%	0.217	S	C	*	.	H	α-helix	trans	-64.9	-38.5	-178	-68.3	-18.2	0	0	0	112.5	V236 Q237	V236-N240 WeakPolarHBondContact O-CB 3.17Å; V236-N240 VanDerWaalsContact O-CG 3.25Å; V236-N240 PolarHBondContact O-N 2.85Å; V236-N240 PolarHBondContact O-ND2 3.03Å; Q237-N240 PolarHBondContact O-N 2.81Å
241	E	95.7	Very high	95.3	Very high	66 Å²	66	39.3 Å²	39.3	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-80.5	-17.6	-177.3	-76.9	-164.4	-135	0	0	114.3	I112 Q113 K116 Q237 M238 V239	I112-E241 HydrophobicContact CG2-CB 3.87Å; I112-E241 HydrophobicContact CG2-CG 4.46Å; Q113-E241 PolarHBondContact NE2-OE2 3.45Å; K116-E241 WeakPolarHBondContact CE-O 3.44Å; K116-E241 WeakPolarHBondContact CE-OE2 3.35Å; K116-E241 IonicContact NZ-OE2 2.68Å; K116-E241 PolarHBondContact NZ-OE2 3.28Å; Q237-E241 HydrophobicContact CG-CG 4.33Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.45Å; Q237-E241 PolarHBondContact NE2-OE1 3.1Å; Q237-E241 VanDerWaalsContact O-CB 3.28Å; Q237-E241 WeakPolarHBondContact O-CB 2.89Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 2.78Å; M238-E241 PolarHBondContact O-N 2.96Å; V239-E241 PolarHBondContact O-N 3.36Å
242	L	94.5	Very high	95.4	Very high	33 Å²	33	39.3 Å²	39.3	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-109.6	2.5	178.5	-60.4	175.9	0	0	0	112.9	L115 K116 F121 M238 V239 M244	L115-L242 HydrophobicContact CB-CD1 3.8Å; L115-L242 HydrophobicContact CB-CD2 4.33Å; L115-L242 HydrophobicContact CD1-CD1 4Å; K116-L242 HydrophobicContact CB-CD2 4.31Å; K116-L242 HydrophobicContact CG-CD2 3.45Å; K116-L242 VanDerWaalsContact CG-CD2 3.45Å; F121-L242 HydrophobicContact CD1-CD1 3.73Å; F121-L242 HydrophobicContact CE1-CD1 3.78Å; M238-L242 HydrophobicContact CG-CD1 3.59Å; M238-L242 HydrophobicContact CG-CG 4.49Å; M238-L242 VanDerWaalsContact O-CB 3.27Å; M238-L242 WeakPolarHBondContact O-CB 3.31Å; M238-L242 VanDerWaalsContact O-CG 3.3Å; M238-L242 WeakPolarHBondContact O-CG 3.28Å; M238-L242 PolarHBondContact O-N 3.19Å; V239-L242 PolarHBondContact O-N 3.09Å; L242-M244 VanDerWaalsContact C-N 3.27Å; L242-M244 HydrophobicContact CB-CG 3.87Å; L242-M244 HydrophobicContact CB-SD 4.09Å; L242-M244 HydrophobicContact CD1-SD 4.07Å; L242-M244 PolarHBondContact O-N 3.46Å
243	D	93.3	Very high	95.4	Very high	152 Å²	152	39.3 Å²	39.3	81%	0.813	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	41.5	-178.1	-159	32.3	0	0	0	113.4	V239	V239-D243 WeakPolarHBondContact O-CA 3.31Å; V239-D243 PolarHBondContact O-N 3.5Å
244	M	92.7	Very high	95.4	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.049	18%	0.178	C	C	.	.			trans	-83.4	142.9	-178	-65.7	171.2	51.2	0	0	111.8	F121 V126 M238 V239 L242 I249	F121-M244 HydrophobicContact CE1-SD 4.09Å; V126-M244 HydrophobicContact CB-CE 3.77Å; V126-M244 HydrophobicContact CG1-CE 4.27Å; V126-M244 HydrophobicContact CG2-CE 3.3Å; V126-M244 HydrophobicContact CG2-SD 4.39Å; M238-M244 HydrophobicContact CE-CE 4.14Å; M238-M244 HydrophobicContact CE-SD 4.13Å; M238-M244 HydrophobicContact CG-SD 4.39Å; V239-M244 HydrophobicContact CB-CB 4.45Å; V239-M244 HydrophobicContact CG1-CB 4.06Å; V239-M244 WeakPolarHBondContact CG1-O 3.32Å; V239-M244 HydrophobicContact CG2-CB 4.34Å; V239-M244 PolarHBondContact O-N 3.08Å; V239-M244 VanDerWaalsContact O-N 3.09Å; L242-M244 VanDerWaalsContact C-N 3.27Å; L242-M244 HydrophobicContact CB-CG 3.87Å; L242-M244 HydrophobicContact CB-SD 4.09Å; L242-M244 HydrophobicContact CD1-SD 4.07Å; L242-M244 PolarHBondContact O-N 3.46Å; M244-I249 HydrophobicContact CE-CD1 4.33Å; M244-I249 HydrophobicContact CE-CG1 4.17Å
245	P	90.3	Very high	95.4	Very high	64 Å²	64	33.5 Å²	33.5	42%	0.416	18%	0.176	S	C	.	.			trans	-68.9	135.2	168.7	-16.7	29.8	0	0	0	111.4	D247 T248	P245-D247 WeakPolarHBondContact CB-OD1 3.3Å; P245-D247 PolarHBondContact O-N 3.4Å; P245-T248 HydrophobicContact CB-CG2 3.89Å; P245-T248 HydrophobicContact CG-CG2 4.04Å; P245-T248 PolarHBondContact O-N 3.31Å; P245-T248 PolarHBondContact O-OG1 3.38Å
246	F	86.7	Confident	95.4	Very high	54 Å²	54	33.8 Å²	33.8	24%	0.237	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61	-30.9	-176.1	-58.5	-47.5	0	0	0	113.9	V239 T248 F268 T272 H274	V239-F246 HydrophobicContact CB-CD1 4.33Å; V239-F246 HydrophobicContact CB-CE1 4.27Å; V239-F246 HydrophobicContact CG1-CD1 3.43Å; V239-F246 VanDerWaalsContact CG1-CD1 3.43Å; V239-F246 HydrophobicContact CG1-CE1 3.37Å; F246-T248 PolarHBondContact O-N 3.49Å; F246-F268 HydrophobicContact CB-CE1 4.34Å; F246-F268 HydrophobicContact CB-CZ 4Å; F246-F268 HydrophobicContact CD1-CE1 4.37Å; F246-F268 HydrophobicContact CD1-CE2 4.19Å; F246-F268 AromaticContact CD1-CZ 3.45Å; F246-F268 HydrophobicContact CD1-CZ 3.45Å; F246-F268 VanDerWaalsContact CD1-CZ 3.45Å; F246-F268 HydrophobicContact CE1-CZ 4.16Å; F246-F268 HydrophobicContact CG-CE1 4.48Å; F246-F268 AromaticContact CG-CZ 3.95Å; F246-F268 HydrophobicContact CG-CZ 3.95Å; F246-T272 HydrophobicContact CE1-CG2 4.33Å; F246-T272 HydrophobicContact CZ-CG2 4.49Å; F246-H274 HydrophobicContact CB-CB 4.21Å; F246-H274 HydrophobicContact CD2-CB 3.74Å; F246-H274 AromaticContact CD2-CD2 3.35Å; F246-H274 WeakPolarHBondContact CD2-CD2 3.46Å; F246-H274 AromaticContact CD2-CG 3.44Å; F246-H274 VanDerWaalsContact CD2-CG 3.44Å; F246-H274 AromaticContact CD2-NE2 3.92Å; F246-H274 HydrophobicContact CE2-CB 4.4Å; F246-H274 AromaticContact CE2-CD2 3.22Å; F246-H274 WeakPolarHBondContact CE2-CD2 3.48Å; F246-H274 AromaticContact CE2-CG 3.84Å; F246-H274 AromaticContact CE2-NE2 3.66Å; F246-H274 HydrophobicContact CG-CB 4.14Å
247	D	87.9	Confident	95.4	Very high	96 Å²	96	32.9 Å²	32.9	51%	0.513	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-79.7	5.2	-177.8	63.4	-23.3	0	0	0	113.6	P245 R277	P245-D247 WeakPolarHBondContact CB-OD1 3.3Å; P245-D247 PolarHBondContact O-N 3.4Å; D247-R277 VanDerWaalsContact O-CB 3.26Å; D247-R277 WeakPolarHBondContact O-CB 3.41Å; D247-R277 WeakPolarHBondContact O-CD 3.39Å
248	T	93	Very high	95.5	Very high	22 Å²	22	29 Å²	29	14%	0.135	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-92.6	-10.2	178	59.8	0	0	0	0	114.1	E125 V126 P245 F246	E125-T248 WeakPolarHBondContact CA-O 3.47Å; V126-T248 PolarHBondContact N-O 2.82Å; P245-T248 HydrophobicContact CB-CG2 3.89Å; P245-T248 HydrophobicContact CG-CG2 4.04Å; P245-T248 PolarHBondContact O-N 3.31Å; P245-T248 PolarHBondContact O-OG1 3.38Å; F246-T248 PolarHBondContact O-N 3.49Å
249	I	97	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.4	-170.3	-61.9	178.8	0	0	0	111.9	V126 I128 I235 M238 V239 M244 L276 R278	V126-I249 WeakPolarHBondContact O-CA 3.23Å; I128-I249 HydrophobicContact CD1-CG2 3.93Å; I128-I249 HydrophobicContact CG1-CG2 4.4Å; I235-I249 HydrophobicContact CG2-CD1 3.66Å; M238-I249 HydrophobicContact CE-CD1 4.33Å; V239-I249 HydrophobicContact CG2-CD1 3.52Å; M244-I249 HydrophobicContact CE-CD1 4.33Å; M244-I249 HydrophobicContact CE-CG1 4.17Å; I249-L276 HydrophobicContact CB-CD2 4.02Å; I249-L276 HydrophobicContact CD1-CD2 4.07Å; I249-L276 HydrophobicContact CG2-CD1 4.34Å; I249-L276 HydrophobicContact CG2-CD2 4.09Å; I249-R278 PolarHBondContact O-N 2.94Å
250	H	98	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.5	164.8	-172.8	179.8	0	0	0	109.7	V126 T127 I128 Y151 T280 F353	V126-H250 PolarHBondContact O-N 3.45Å; T127-H250 CarbonylContact C-O 3.5Å; T127-H250 WeakPolarHBondContact CA-O 3.39Å; I128-H250 PolarHBondContact N-O 3.37Å; Y151-H250 PolarHBondContact OH-ND1 3.44Å; H250-T280 PolarHBondContact NE2-OG1 2.95Å; H250-F353 AromaticContact CE1-CZ 3.86Å
251	L	98.6	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125	177.3	-172	62.5	0	0	0	110.4	I128 V130 I235 A261 A264 L276 R278 V279 T280	I128-L251 HydrophobicContact CB-CD1 3.67Å; I128-L251 HydrophobicContact CG2-CD1 3.65Å; I128-L251 CarbonylContact O-C 3.57Å; I128-L251 WeakPolarHBondContact O-CA 3.49Å; V130-L251 HydrophobicContact CG2-CD1 3.84Å; I235-L251 HydrophobicContact CD1-CD1 4.39Å; I235-L251 HydrophobicContact CD1-CD2 4.34Å; L251-A261 HydrophobicContact CD2-CB 3.77Å; L251-A261 VanDerWaalsContact CD2-O 3.27Å; L251-A261 WeakPolarHBondContact CD2-O 3.18Å; L251-A261 HydrophobicContact CG-CB 3.77Å; L251-A264 HydrophobicContact CD2-CB 4.18Å; L251-L276 HydrophobicContact CB-CD1 4.26Å; L251-L276 HydrophobicContact CD2-CD1 3.99Å; L251-R278 PolarHBondContact N-O 2.96Å; L251-V279 HydrophobicContact CB-CG2 4.13Å; L251-V279 HydrophobicContact CD2-CG2 4.43Å; L251-V279 CarbonylContact O-C 3.57Å; L251-V279 WeakPolarHBondContact O-CA 3.14Å; L251-T280 PolarHBondContact O-N 3.28Å
252	I	98.9	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.2	-177.9	-57.7	176.8	0	0	0	108.3	T127 I128 I129 V130 Y151 T280 L282 F353	T127-I252 HydrophobicContact CG2-CD1 3.7Å; T127-I252 HydrophobicContact CG2-CG1 4.37Å; I128-I252 PolarHBondContact O-N 3.14Å; I129-I252 CarbonylContact C-O 3.59Å; I129-I252 WeakPolarHBondContact CA-O 3.45Å; I129-I252 HydrophobicContact CG1-CB 4.36Å; V130-I252 PolarHBondContact N-O 3.36Å; Y151-I252 HydrophobicContact CE2-CD1 3.85Å; Y151-I252 VanDerWaalsContact OH-CD1 3.31Å; Y151-I252 WeakPolarHBondContact OH-CD1 3.22Å; I252-T280 WeakPolarHBondContact CA-O 3.42Å; I252-L282 HydrophobicContact CG2-CD1 3.38Å; I252-L282 HydrophobicContact CG2-CG 3.87Å; I252-F353 HydrophobicContact CD1-CE1 3.84Å; I252-F353 HydrophobicContact CD1-CZ 4.36Å
253	G	98.9	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.7	177.3	0	0	0	0	0	112	G257 T280 L282	G253-G257 WeakPolarHBondContact CA-O 3.46Å; G253-T280 PolarHBondContact N-O 3.03Å; G253-L282 PolarHBondContact O-N 3.02Å
254	Q	98.7	Very high	96.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.1	175.8	-64.3	177.3	-27.8	0	0	110.6	V130 G132 T144 V256 G257 L282 M347 T350	V130-Q254 PolarHBondContact O-N 3.11Å; G132-Q254 WeakPolarHBondContact CA-O 3.29Å; G132-Q254 PolarHBondContact N-O 3.1Å; T144-Q254 PolarHBondContact OG1-NE2 2.83Å; T144-Q254 PolarHBondContact OG1-OE1 2.78Å; Q254-V256 PolarHBondContact O-N 3.38Å; Q254-G257 VanDerWaalsContact O-CA 3.3Å; Q254-G257 WeakPolarHBondContact O-CA 3.36Å; Q254-G257 PolarHBondContact O-N 3.41Å; Q254-L282 HydrophobicContact CG-CD1 4.07Å; Q254-M347 HydrophobicContact CB-CE 4.33Å; Q254-T350 VanDerWaalsContact NE2-CG2 3.26Å; Q254-T350 PolarHBondContact NE2-OG1 2.89Å
255	N	97.8	Very high	96.7	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-124.7	175.7	-164	-100.8	0	0	0	112.2	L133 Y219 G257 A258 L282 D283 S285	L133-N255 HydrophobicContact CD1-CB 4.13Å; L133-N255 HydrophobicContact CD2-CB 4.25Å; L133-N255 WeakPolarHBondContact CD2-OD1 3.32Å; L133-N255 HydrophobicContact CG-CB 3.83Å; Y219-N255 WeakPolarHBondContact CE2-OD1 3.39Å; Y219-N255 PolarHBondContact OH-OD1 3.26Å; N255-G257 PolarHBondContact O-N 3.4Å; N255-G257 VanDerWaalsContact O-N 3.08Å; N255-A258 WeakPolarHBondContact O-CB 3.32Å; N255-A258 PolarHBondContact O-N 2.88Å; N255-L282 PolarHBondContact N-O 2.76Å; N255-D283 WeakPolarHBondContact CA-O 3.43Å; N255-D283 PolarHBondContact ND2-O 3.5Å; N255-S285 WeakPolarHBondContact OD1-CB 3.34Å
256	V	97.6	Very high	97	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.036	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-23.8	175.7	79.8	0	0	0	0	113.2	G132 L213 Y219 L222 I224 Q254 A258 H259 V260 S285	G132-V256 VanDerWaalsContact O-CG1 3.22Å; G132-V256 WeakPolarHBondContact O-CG1 3.48Å; L213-V256 HydrophobicContact CD1-CG1 3.7Å; Y219-V256 HydrophobicContact CD2-CB 4.46Å; Y219-V256 HydrophobicContact CD2-CG1 4.03Å; Y219-V256 HydrophobicContact CE2-CB 3.81Å; Y219-V256 HydrophobicContact CE2-CG1 3.78Å; L222-V256 HydrophobicContact CD2-CG1 4Å; L222-V256 HydrophobicContact CD2-CG2 4.01Å; I224-V256 HydrophobicContact CD1-CG2 4.33Å; I224-V256 HydrophobicContact CG1-CG2 4.42Å; Q254-V256 PolarHBondContact O-N 3.38Å; V256-A258 PolarHBondContact O-N 3.15Å; V256-H259 PolarHBondContact O-N 3Å; V256-H259 VanDerWaalsContact O-N 3.16Å; V256-V260 PolarHBondContact O-N 3.37Å; V256-S285 VanDerWaalsContact CA-OG 3.32Å; V256-S285 WeakPolarHBondContact CA-OG 3.38Å; V256-S285 WeakPolarHBondContact CB-OG 3.14Å; V256-S285 PolarHBondContact N-OG 3.46Å
257	G	98.4	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-21.6	172.6	0	0	0	0	0	113.3	G253 Q254 N255 V260 A261	G253-G257 WeakPolarHBondContact CA-O 3.46Å; Q254-G257 VanDerWaalsContact O-CA 3.3Å; Q254-G257 WeakPolarHBondContact O-CA 3.36Å; Q254-G257 PolarHBondContact O-N 3.41Å; N255-G257 PolarHBondContact O-N 3.4Å; N255-G257 VanDerWaalsContact O-N 3.08Å; G257-V260 PolarHBondContact O-N 2.8Å; G257-A261 WeakPolarHBondContact O-CB 3.38Å; G257-A261 PolarHBondContact O-N 3.35Å
258	A	98.8	Very high	98.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-43.3	171.3	0	0	0	0	0	111.7	N255 V256 A261 G262 P284 L298	N255-A258 WeakPolarHBondContact O-CB 3.32Å; N255-A258 PolarHBondContact O-N 2.88Å; V256-A258 PolarHBondContact O-N 3.15Å; A258-A261 WeakPolarHBondContact O-CB 3.45Å; A258-A261 PolarHBondContact O-N 2.81Å; A258-G262 PolarHBondContact O-N 2.92Å; A258-P284 HydrophobicContact CB-CB 3.91Å; A258-P284 HydrophobicContact CB-CG 3.93Å; A258-L298 HydrophobicContact CB-CD2 4.22Å
259	H	98.5	Very high	98.3	Very high	5 Å²	5	7.3 Å²	7.3	2%	0.023	4%	0.038	C	C	.	.	H	α-helix	trans	-70.2	-39.2	177.3	-56.3	-40.7	0	0	0	111.9	I224 V256 A261 G262 A263 S285 I287 L298	I224-H259 HydrophobicContact CD1-CB 3.84Å; I224-H259 HydrophobicContact CG1-CB 4.24Å; I224-H259 HydrophobicContact CG2-CB 3.69Å; V256-H259 PolarHBondContact O-N 3Å; V256-H259 VanDerWaalsContact O-N 3.16Å; H259-A261 VanDerWaalsContact C-N 3.27Å; H259-A261 PolarHBondContact O-N 3.38Å; H259-G262 PolarHBondContact O-N 3.42Å; H259-A263 PolarHBondContact O-N 2.98Å; H259-S285 PolarHBondContact NE2-N 3.06Å; H259-S285 PolarHBondContact NE2-O 2.92Å; H259-I287 WeakPolarHBondContact CD2-CG1 3.22Å; H259-I287 WeakPolarHBondContact NE2-CG1 3.43Å; H259-L298 PolarHBondContact ND1-N 3.43Å
260	V	98.6	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63	-37.1	173.9	175.7	0	0	0	0	111.2	V130 L209 L222 T227 I231 V256 G257 A264	V130-V260 HydrophobicContact CG1-CB 4.49Å; V130-V260 HydrophobicContact CG1-CG1 4.26Å; L209-V260 HydrophobicContact CD2-CB 4.23Å; L209-V260 HydrophobicContact CD2-CG1 4.14Å; L209-V260 HydrophobicContact CD2-CG2 3.89Å; L222-V260 HydrophobicContact CD2-CG2 3.99Å; T227-V260 HydrophobicContact CG2-CG1 3.91Å; T227-V260 HydrophobicContact CG2-CG2 4.29Å; I231-V260 HydrophobicContact CD1-CG1 3.62Å; V256-V260 PolarHBondContact O-N 3.37Å; G257-V260 PolarHBondContact O-N 2.8Å; V260-A264 VanDerWaalsContact O-CB 3.27Å; V260-A264 WeakPolarHBondContact O-CB 3.22Å; V260-A264 PolarHBondContact O-N 3.18Å
261	A	98.7	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-45.8	173.8	0	0	0	0	0	111.9	L251 G257 A258 H259 A264 A265 V279	L251-A261 HydrophobicContact CD2-CB 3.77Å; L251-A261 VanDerWaalsContact CD2-O 3.27Å; L251-A261 WeakPolarHBondContact CD2-O 3.18Å; L251-A261 HydrophobicContact CG-CB 3.77Å; G257-A261 WeakPolarHBondContact O-CB 3.38Å; G257-A261 PolarHBondContact O-N 3.35Å; A258-A261 WeakPolarHBondContact O-CB 3.45Å; A258-A261 PolarHBondContact O-N 2.81Å; H259-A261 VanDerWaalsContact C-N 3.27Å; H259-A261 PolarHBondContact O-N 3.38Å; A261-A264 PolarHBondContact O-N 2.89Å; A261-A265 PolarHBondContact O-N 3.48Å; A261-V279 HydrophobicContact CB-CG1 4.14Å
262	G	98.5	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-51.9	173.9	0	0	0	0	0	112.5	A258 H259 A264 A265 Q266 D302	A258-G262 PolarHBondContact O-N 2.92Å; H259-G262 PolarHBondContact O-N 3.42Å; G262-A264 VanDerWaalsContact C-N 3.3Å; G262-A264 PolarHBondContact O-N 3.28Å; G262-A265 PolarHBondContact O-N 3.04Å; G262-A265 VanDerWaalsContact O-N 3.1Å; G262-Q266 PolarHBondContact O-N 2.7Å; G262-D302 WeakPolarHBondContact CA-OD2 3.14Å
263	A	98.2	Very high	98.2	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-35	177.1	0	0	0	0	0	113.1	I224 H259 E267	I224-A263 HydrophobicContact CG2-CB 4.25Å; H259-A263 PolarHBondContact O-N 2.98Å; A263-E267 WeakPolarHBondContact O-CB 3.35Å; A263-E267 PolarHBondContact O-N 3.03Å
264	A	98.6	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-39.4	174	0	0	0	0	0	112.5	G228 I231 G232 L251 V260 A261 G262 E267 F268	G228-A264 VanDerWaalsContact O-CA 3.31Å; G228-A264 WeakPolarHBondContact O-CA 3.26Å; G228-A264 WeakPolarHBondContact O-CB 3.41Å; I231-A264 HydrophobicContact CB-CB 4.08Å; I231-A264 HydrophobicContact CG2-CB 3.86Å; G232-A264 WeakPolarHBondContact CA-O 3.24Å; L251-A264 HydrophobicContact CD2-CB 4.18Å; V260-A264 VanDerWaalsContact O-CB 3.27Å; V260-A264 WeakPolarHBondContact O-CB 3.22Å; V260-A264 PolarHBondContact O-N 3.18Å; A261-A264 PolarHBondContact O-N 2.89Å; G262-A264 VanDerWaalsContact C-N 3.3Å; G262-A264 PolarHBondContact O-N 3.28Å; A264-E267 PolarHBondContact O-N 3.31Å; A264-F268 WeakPolarHBondContact O-CB 3.2Å; A264-F268 PolarHBondContact O-N 3.3Å
265	A	98.5	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-38.3	177	0	0	0	0	0	112.3	A261 G262 F268 T269 L276 V279 D302	A261-A265 PolarHBondContact O-N 3.48Å; G262-A265 PolarHBondContact O-N 3.04Å; G262-A265 VanDerWaalsContact O-N 3.1Å; A265-F268 WeakPolarHBondContact O-CB 3.44Å; A265-F268 PolarHBondContact O-N 3.02Å; A265-T269 PolarHBondContact O-N 2.76Å; A265-T269 PolarHBondContact O-OG1 3.1Å; A265-L276 HydrophobicContact CB-CD1 3.79Å; A265-L276 HydrophobicContact CB-CG 4.32Å; A265-V279 HydrophobicContact CB-CG2 3.76Å; A265-D302 HydrophobicContact CB-CB 4.47Å; A265-D302 WeakPolarHBondContact CB-O 3.2Å
266	Q	97.8	Very high	98	Very high	78 Å²	78	31.3 Å²	31.3	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-63	-46.4	171.5	-70.6	-176.4	37.8	0	0	112	G262 F268 T269 R270 D302	G262-Q266 PolarHBondContact O-N 2.7Å; Q266-F268 VanDerWaalsContact C-N 3.32Å; Q266-F268 PolarHBondContact O-N 2.95Å; Q266-T269 PolarHBondContact O-N 3.04Å; Q266-R270 WeakPolarHBondContact O-CB 3.41Å; Q266-R270 PolarHBondContact O-N 3.18Å; Q266-D302 HydrophobicContact CG-CB 4.37Å; Q266-D302 VanDerWaalsContact CG-OD1 3.31Å; Q266-D302 WeakPolarHBondContact CG-OD1 3.4Å; Q266-D302 PolarHBondContact NE2-OD1 3.21Å
267	E	98.1	Very high	97.9	Very high	23 Å²	23	33.3 Å²	33.3	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-40.7	177.2	177.5	70.8	170.5	0	0	111.5	A229 K233 A263 A264 R270 L271	A229-E267 HydrophobicContact CB-CB 4.38Å; A229-E267 HydrophobicContact CB-CG 4.09Å; K233-E267 WeakPolarHBondContact CE-OE1 3.25Å; K233-E267 HydrophobicContact CG-CG 4.33Å; A263-E267 WeakPolarHBondContact O-CB 3.35Å; A263-E267 PolarHBondContact O-N 3.03Å; A264-E267 PolarHBondContact O-N 3.31Å; E267-R270 VanDerWaalsContact CD-NH2 3.25Å; E267-R270 PolarHBondContact O-N 3.22Å; E267-R270 IonicContact OE1-CZ 3.27Å; E267-R270 IonicContact OE1-NE 2.84Å; E267-R270 IonicContact OE1-NH2 2.73Å; E267-R270 PolarHBondContact OE1-NH2 3.13Å; E267-R270 IonicContact OE2-CZ 3.36Å; E267-R270 IonicContact OE2-NE 2.73Å; E267-R270 PolarHBondContact OE2-NE 2.97Å; E267-R270 IonicContact OE2-NH2 3.16Å; E267-R270 PolarHBondContact OE2-NH2 3.35Å; E267-R270 VanDerWaalsContact OE2-NH2 3.16Å; E267-L271 HydrophobicContact CG-CD1 3.9Å; E267-L271 HydrophobicContact CG-CG 4.45Å; E267-L271 WeakPolarHBondContact O-CB 3.36Å; E267-L271 VanDerWaalsContact O-CG 3.32Å; E267-L271 WeakPolarHBondContact O-CG 3.1Å; E267-L271 PolarHBondContact O-N 3.46Å
268	F	98.3	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-51.6	173.2	178.2	-86.7	0	0	0	110.6	I235 V236 V239 F246 A264 A265 Q266 R270 L271 T272 H274 L276	I235-F268 HydrophobicContact CB-CD2 4.29Å; I235-F268 HydrophobicContact CG2-CD2 3.67Å; I235-F268 HydrophobicContact CG2-CE2 3.87Å; V236-F268 HydrophobicContact CG2-CB 4.41Å; V236-F268 HydrophobicContact CG2-CD2 3.48Å; V236-F268 VanDerWaalsContact CG2-CD2 3.48Å; V236-F268 HydrophobicContact CG2-CE2 4.06Å; V236-F268 HydrophobicContact CG2-CG 4.19Å; V239-F268 HydrophobicContact CG2-CE2 4.25Å; F246-F268 HydrophobicContact CB-CE1 4.34Å; F246-F268 HydrophobicContact CB-CZ 4Å; F246-F268 HydrophobicContact CD1-CE1 4.37Å; F246-F268 HydrophobicContact CD1-CE2 4.19Å; F246-F268 AromaticContact CD1-CZ 3.45Å; F246-F268 HydrophobicContact CD1-CZ 3.45Å; F246-F268 VanDerWaalsContact CD1-CZ 3.45Å; F246-F268 HydrophobicContact CE1-CZ 4.16Å; F246-F268 HydrophobicContact CG-CE1 4.48Å; F246-F268 AromaticContact CG-CZ 3.95Å; F246-F268 HydrophobicContact CG-CZ 3.95Å; A264-F268 WeakPolarHBondContact O-CB 3.2Å; A264-F268 PolarHBondContact O-N 3.3Å; A265-F268 WeakPolarHBondContact O-CB 3.44Å; A265-F268 PolarHBondContact O-N 3.02Å; Q266-F268 VanDerWaalsContact C-N 3.32Å; Q266-F268 PolarHBondContact O-N 2.95Å; F268-R270 VanDerWaalsContact C-N 3.31Å; F268-R270 PolarHBondContact O-N 3.46Å; F268-L271 PolarHBondContact O-N 2.86Å; F268-L271 VanDerWaalsContact O-N 3.08Å; F268-T272 HydrophobicContact CD2-CG2 4.35Å; F268-T272 HydrophobicContact CE1-CG2 4.38Å; F268-T272 HydrophobicContact CE2-CG2 4.13Å; F268-T272 HydrophobicContact CZ-CG2 4.16Å; F268-T272 PolarHBondContact O-N 3.05Å; F268-T272 PolarHBondContact O-OG1 3.34Å; F268-H274 WeakPolarHBondContact CD1-O 3.45Å; F268-H274 HydrophobicContact CE1-CB 4.37Å; F268-H274 VanDerWaalsContact CE1-O 3.23Å; F268-H274 WeakPolarHBondContact CE1-O 3.49Å; F268-L276 HydrophobicContact CD1-CD2 3.54Å; F268-L276 HydrophobicContact CD1-CG 3.87Å; F268-L276 HydrophobicContact CD2-CD2 3.92Å; F268-L276 HydrophobicContact CE1-CD2 3.52Å; F268-L276 HydrophobicContact CE1-CG 4.24Å; F268-L276 HydrophobicContact CE2-CD2 3.89Å; F268-L276 HydrophobicContact CG-CD2 3.74Å; F268-L276 HydrophobicContact CG-CG 4.14Å; F268-L276 HydrophobicContact CZ-CD2 3.67Å
269	T	98	Very high	97.9	Very high	37 Å²	37	33.4 Å²	33.4	23%	0.227	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-42.3	177.4	-54.6	0	0	0	0	112.1	A265 Q266 L271 G273 H274 K275	A265-T269 PolarHBondContact O-N 2.76Å; A265-T269 PolarHBondContact O-OG1 3.1Å; Q266-T269 PolarHBondContact O-N 3.04Å; T269-L271 VanDerWaalsContact C-N 3.27Å; T269-L271 PolarHBondContact O-N 2.74Å; T269-G273 VanDerWaalsContact O-CA 3.29Å; T269-G273 WeakPolarHBondContact O-CA 3.19Å; T269-G273 PolarHBondContact O-N 3.08Å; T269-H274 VanDerWaalsContact CA-O 3.24Å; T269-H274 WeakPolarHBondContact CA-O 3.25Å; T269-H274 PolarHBondContact OG1-O 3.02Å; T269-K275 HydrophobicContact CG2-CG 3.99Å
270	R	97.8	Very high	97.9	Very high	155 Å²	155	33.2 Å²	33.2	59%	0.585	17%	0.17	S	C	*	.	H	α-helix	trans	-62.5	-34	177.9	-166.7	-166.9	64.5	68	0.2	112.5	Q266 E267 F268	Q266-R270 WeakPolarHBondContact O-CB 3.41Å; Q266-R270 PolarHBondContact O-N 3.18Å; E267-R270 VanDerWaalsContact CD-NH2 3.25Å; E267-R270 PolarHBondContact O-N 3.22Å; E267-R270 IonicContact OE1-CZ 3.27Å; E267-R270 IonicContact OE1-NE 2.84Å; E267-R270 IonicContact OE1-NH2 2.73Å; E267-R270 PolarHBondContact OE1-NH2 3.13Å; E267-R270 IonicContact OE2-CZ 3.36Å; E267-R270 IonicContact OE2-NE 2.73Å; E267-R270 PolarHBondContact OE2-NE 2.97Å; E267-R270 IonicContact OE2-NH2 3.16Å; E267-R270 PolarHBondContact OE2-NH2 3.35Å; E267-R270 VanDerWaalsContact OE2-NH2 3.16Å; F268-R270 VanDerWaalsContact C-N 3.31Å; F268-R270 PolarHBondContact O-N 3.46Å
271	L	98.1	Very high	98	Very high	73 Å²	73	33.2 Å²	33.2	38%	0.382	17%	0.17	S	C	.	.	H	α-helix	trans	-88.1	-31	-176.3	-73.2	173.7	0	0	0	113.6	K233 V236 E267 F268 T269	K233-L271 HydrophobicContact CG-CD1 3.68Å; V236-L271 HydrophobicContact CG2-CB 4.01Å; V236-L271 HydrophobicContact CG2-CD1 4.01Å; E267-L271 HydrophobicContact CG-CD1 3.9Å; E267-L271 HydrophobicContact CG-CG 4.45Å; E267-L271 WeakPolarHBondContact O-CB 3.36Å; E267-L271 VanDerWaalsContact O-CG 3.32Å; E267-L271 WeakPolarHBondContact O-CG 3.1Å; E267-L271 PolarHBondContact O-N 3.46Å; F268-L271 PolarHBondContact O-N 2.86Å; F268-L271 VanDerWaalsContact O-N 3.08Å; T269-L271 VanDerWaalsContact C-N 3.27Å; T269-L271 PolarHBondContact O-N 2.74Å
272	T	97.1	Very high	98	Very high	33 Å²	33	33.2 Å²	33.2	20%	0.202	17%	0.17	C	C	.	.	H	α-helix	trans	-109.4	-22.2	-173.7	65.5	0	0	0	0	113.3	V236 F246 F268 H274	V236-T272 HydrophobicContact CB-CG2 4.48Å; V236-T272 HydrophobicContact CG1-CG2 4.06Å; V236-T272 HydrophobicContact CG2-CG2 3.71Å; F246-T272 HydrophobicContact CE1-CG2 4.33Å; F246-T272 HydrophobicContact CZ-CG2 4.49Å; F268-T272 HydrophobicContact CD2-CG2 4.35Å; F268-T272 HydrophobicContact CE1-CG2 4.38Å; F268-T272 HydrophobicContact CE2-CG2 4.13Å; F268-T272 HydrophobicContact CZ-CG2 4.16Å; F268-T272 PolarHBondContact O-N 3.05Å; F268-T272 PolarHBondContact O-OG1 3.34Å; T272-H274 PolarHBondContact O-CD2 2.78Å; T272-H274 VanDerWaalsContact O-CD2 3.22Å; T272-H274 PolarHBondContact O-N 2.85Å; T272-H274 PolarHBondContact OG1-N 3.26Å; T272-H274 PolarHBondContact OG1-O 3.34Å
273	G	96.9	Very high	98	Very high	65 Å²	65	33.2 Å²	33.2	67%	0.67	17%	0.17	S	C	*	.	S	Bend	trans	77.2	0.4	-167.5	0	0	0	0	0	114	T269	T269-G273 VanDerWaalsContact O-CA 3.29Å; T269-G273 WeakPolarHBondContact O-CA 3.19Å; T269-G273 PolarHBondContact O-N 3.08Å
274	H	96.7	Very high	98	Very high	99 Å²	99	33 Å²	33	46%	0.458	17%	0.168	S	C	.	.			trans	-114.4	142.5	-178.9	-62.7	-82.5	0	0	0	111	F246 F268 T269 T272	F246-H274 HydrophobicContact CB-CB 4.21Å; F246-H274 HydrophobicContact CD2-CB 3.74Å; F246-H274 AromaticContact CD2-CD2 3.35Å; F246-H274 WeakPolarHBondContact CD2-CD2 3.46Å; F246-H274 AromaticContact CD2-CG 3.44Å; F246-H274 VanDerWaalsContact CD2-CG 3.44Å; F246-H274 AromaticContact CD2-NE2 3.92Å; F246-H274 HydrophobicContact CE2-CB 4.4Å; F246-H274 AromaticContact CE2-CD2 3.22Å; F246-H274 WeakPolarHBondContact CE2-CD2 3.48Å; F246-H274 AromaticContact CE2-CG 3.84Å; F246-H274 AromaticContact CE2-NE2 3.66Å; F246-H274 HydrophobicContact CG-CB 4.14Å; F268-H274 WeakPolarHBondContact CD1-O 3.45Å; F268-H274 HydrophobicContact CE1-CB 4.37Å; F268-H274 VanDerWaalsContact CE1-O 3.23Å; F268-H274 WeakPolarHBondContact CE1-O 3.49Å; T269-H274 VanDerWaalsContact CA-O 3.24Å; T269-H274 WeakPolarHBondContact CA-O 3.25Å; T269-H274 PolarHBondContact OG1-O 3.02Å; T272-H274 PolarHBondContact O-CD2 2.78Å; T272-H274 VanDerWaalsContact O-CD2 3.22Å; T272-H274 PolarHBondContact O-N 2.85Å; T272-H274 PolarHBondContact OG1-N 3.26Å; T272-H274 PolarHBondContact OG1-O 3.34Å
275	K	97	Very high	97.9	Very high	80 Å²	80	33 Å²	33	35%	0.348	17%	0.169	S	C	.	.			trans	-85.1	151.5	173.6	-72.5	-179.7	163.8	-155.8	0	110.7	T269 G301 A303 E304	T269-K275 HydrophobicContact CG2-CG 3.99Å; K275-G301 VanDerWaalsContact CE-O 3.29Å; K275-G301 WeakPolarHBondContact CE-O 3.49Å; K275-G301 PolarHBondContact NZ-O 3.26Å; K275-A303 PolarHBondContact NZ-O 2.84Å; K275-E304 HydrophobicContact CB-CG 3.69Å; K275-E304 HydrophobicContact CD-CG 4.43Å
276	L	97.3	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.			trans	-69	148.8	164.4	-60.1	-179	0	0	0	109.2	I235 I249 L251 A265 F268 R278 A303 E304	I235-L276 HydrophobicContact CG2-CD2 4.38Å; I249-L276 HydrophobicContact CB-CD2 4.02Å; I249-L276 HydrophobicContact CD1-CD2 4.07Å; I249-L276 HydrophobicContact CG2-CD1 4.34Å; I249-L276 HydrophobicContact CG2-CD2 4.09Å; L251-L276 HydrophobicContact CB-CD1 4.26Å; L251-L276 HydrophobicContact CD2-CD1 3.99Å; A265-L276 HydrophobicContact CB-CD1 3.79Å; A265-L276 HydrophobicContact CB-CG 4.32Å; F268-L276 HydrophobicContact CD1-CD2 3.54Å; F268-L276 HydrophobicContact CD1-CG 3.87Å; F268-L276 HydrophobicContact CD2-CD2 3.92Å; F268-L276 HydrophobicContact CE1-CD2 3.52Å; F268-L276 HydrophobicContact CE1-CG 4.24Å; F268-L276 HydrophobicContact CE2-CD2 3.89Å; F268-L276 HydrophobicContact CG-CD2 3.74Å; F268-L276 HydrophobicContact CG-CG 4.14Å; F268-L276 HydrophobicContact CZ-CD2 3.67Å; L276-R278 PolarHBondContact O-N 3.4Å; L276-A303 VanDerWaalsContact O-CB 3.29Å; L276-A303 WeakPolarHBondContact O-CB 3.35Å; L276-E304 PolarHBondContact O-N 3.27Å
277	R	97	Very high	97.4	Very high	47 Å²	47	31.2 Å²	31.2	18%	0.177	16%	0.16	C	C	.	.	S	Bend	trans	-62	-45.6	-177.8	-175.5	-169.7	58.6	105	3.5	113.3	E125 D247 F305 H394	E125-R277 IonicContact OE2-CZ 3.7Å; E125-R277 IonicContact OE2-NH1 3.88Å; E125-R277 IonicContact OE2-NH2 3.84Å; E125-R277 PolarHBondContact OE2-NH2 3.06Å; D247-R277 VanDerWaalsContact O-CB 3.26Å; D247-R277 WeakPolarHBondContact O-CB 3.41Å; D247-R277 WeakPolarHBondContact O-CD 3.39Å; R277-F305 PolarHBondContact O-N 3.41Å; R277-H394 PolarHBondContact NH1-NE2 2.85Å
278	R	98.1	Very high	96.8	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.011	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.8	-177.9	-174.5	172	178.1	179.1	-5	112.7	I249 L251 L276 T280 F305 D307 G389 I390	I249-R278 PolarHBondContact O-N 2.94Å; L251-R278 PolarHBondContact N-O 2.96Å; L276-R278 PolarHBondContact O-N 3.4Å; R278-T280 PolarHBondContact NE-OG1 3.07Å; R278-F305 CarbonylContact C-O 3.54Å; R278-F305 VanDerWaalsContact CA-O 3.27Å; R278-F305 WeakPolarHBondContact CA-O 3.44Å; R278-F305 HydrophobicContact CG-CD1 3.93Å; R278-D307 IonicContact CZ-OD1 3.93Å; R278-D307 IonicContact CZ-OD2 3.14Å; R278-D307 IonicContact NE-OD1 3.97Å; R278-D307 PolarHBondContact NE-OD1 2.76Å; R278-D307 IonicContact NE-OD2 2.9Å; R278-D307 IonicContact NH2-OD1 3.02Å; R278-D307 PolarHBondContact NH2-OD1 2.76Å; R278-D307 IonicContact NH2-OD2 2.67Å; R278-D307 PolarHBondContact NH2-OD2 2.95Å; R278-G389 PolarHBondContact NH2-O 3.49Å; R278-I390 PolarHBondContact NH1-O 3.36Å
279	V	98.7	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.5	164.2	174.8	0	0	0	0	109.6	L251 A261 A265 L298 A303 F305 V306 D307	L251-V279 HydrophobicContact CB-CG2 4.13Å; L251-V279 HydrophobicContact CD2-CG2 4.43Å; L251-V279 CarbonylContact O-C 3.57Å; L251-V279 WeakPolarHBondContact O-CA 3.14Å; A261-V279 HydrophobicContact CB-CG1 4.14Å; A265-V279 HydrophobicContact CB-CG2 3.76Å; V279-L298 HydrophobicContact CG1-CD1 3.54Å; V279-A303 HydrophobicContact CB-CB 4.07Å; V279-A303 HydrophobicContact CG2-CB 3.61Å; V279-F305 PolarHBondContact N-O 3.34Å; V279-V306 HydrophobicContact CB-CG1 4.47Å; V279-V306 HydrophobicContact CB-CG2 4.4Å; V279-V306 VanDerWaalsContact O-CA 3.27Å; V279-V306 WeakPolarHBondContact O-CA 3.32Å; V279-D307 PolarHBondContact O-N 3.22Å
280	T	98.9	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.2	173.9	-57.4	0	0	0	0	111.3	H250 L251 I252 G253 R278 L282 D307 F353	H250-T280 PolarHBondContact NE2-OG1 2.95Å; L251-T280 PolarHBondContact O-N 3.28Å; I252-T280 WeakPolarHBondContact CA-O 3.42Å; G253-T280 PolarHBondContact N-O 3.03Å; R278-T280 PolarHBondContact NE-OG1 3.07Å; T280-L282 HydrophobicContact CG2-CD2 3.83Å; T280-L282 HydrophobicContact CG2-CG 4.36Å; T280-D307 CarbonylContact C-O 3.53Å; T280-D307 VanDerWaalsContact CA-O 3.26Å; T280-D307 WeakPolarHBondContact CA-O 3.33Å; T280-D307 WeakPolarHBondContact CB-OD1 3.2Å; T280-D307 PolarHBondContact OG1-OD1 3.14Å; T280-F353 HydrophobicContact CG2-CD2 3.99Å; T280-F353 HydrophobicContact CG2-CE2 3.73Å; T280-F353 HydrophobicContact CG2-CZ 4.4Å
281	G	98.8	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.6	173.2	0	0	0	0	0	112.4	D307 A308 I309	G281-D307 PolarHBondContact N-O 3.47Å; G281-A308 CarbonylContact O-C 3.57Å; G281-A308 VanDerWaalsContact O-CA 3.29Å; G281-A308 WeakPolarHBondContact O-CA 3.12Å; G281-I309 PolarHBondContact O-N 3.17Å
282	L	98.9	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	98.9	178.1	-56.5	174.1	0	0	0	110	L147 I252 G253 Q254 N255 T280 I309 A349 F353	L147-L282 HydrophobicContact CD2-CD1 4.18Å; I252-L282 HydrophobicContact CG2-CD1 3.38Å; I252-L282 HydrophobicContact CG2-CG 3.87Å; G253-L282 PolarHBondContact O-N 3.02Å; Q254-L282 HydrophobicContact CG-CD1 4.07Å; N255-L282 PolarHBondContact N-O 2.76Å; T280-L282 HydrophobicContact CG2-CD2 3.83Å; T280-L282 HydrophobicContact CG2-CG 4.36Å; L282-I309 HydrophobicContact CD2-CD1 4.13Å; L282-A349 HydrophobicContact CB-CB 4.02Å; L282-F353 HydrophobicContact CD2-CB 3.65Å; L282-F353 HydrophobicContact CD2-CD2 3.91Å; L282-F353 HydrophobicContact CD2-CG 3.84Å
283	D	98.7	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	50.4	62.1	-172.6	-161.5	57.1	0	0	0	113.4	N255 S285 I309 T311 S312 A346 A349	N255-D283 WeakPolarHBondContact CA-O 3.43Å; N255-D283 PolarHBondContact ND2-O 3.5Å; D283-S285 PolarHBondContact O-N 2.96Å; D283-I309 WeakPolarHBondContact CA-O 3.18Å; D283-I309 PolarHBondContact N-O 3.2Å; D283-T311 PolarHBondContact OD1-N 3.21Å; D283-S312 PolarHBondContact OD1-N 3.2Å; D283-S312 WeakPolarHBondContact OD2-CB 3.22Å; D283-S312 PolarHBondContact OD2-OG 3.08Å; D283-A346 VanDerWaalsContact OD2-CA 3.22Å; D283-A346 WeakPolarHBondContact OD2-CA 3.1Å; D283-A346 WeakPolarHBondContact OD2-CB 3.2Å; D283-A349 HydrophobicContact CB-CB 3.79Å
284	P	98.6	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-49.5	136.4	-179.4	-22.9	32.6	0	0	0	111.4	A258 L298 A308 G317 T318	A258-P284 HydrophobicContact CB-CB 3.91Å; A258-P284 HydrophobicContact CB-CG 3.93Å; P284-L298 HydrophobicContact CG-CD2 4.17Å; P284-A308 HydrophobicContact CG-CB 4.24Å; P284-G317 CarbonylContact O-C 3.3Å; P284-G317 VanDerWaalsContact O-CA 3.25Å; P284-G317 WeakPolarHBondContact O-CA 3.35Å; P284-T318 HydrophobicContact CB-CG2 4.12Å; P284-T318 WeakPolarHBondContact O-CG2 3.2Å; P284-T318 PolarHBondContact O-N 3Å
285	S	97	Very high	90.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-82.9	167.1	-168.8	67.3	0	0	0	0	113.6	Y219 N255 V256 H259 D283 I287 M316 T318	Y219-S285 WeakPolarHBondContact OH-CB 3.39Å; Y219-S285 PolarHBondContact OH-OG 3.32Å; N255-S285 WeakPolarHBondContact OD1-CB 3.34Å; V256-S285 VanDerWaalsContact CA-OG 3.32Å; V256-S285 WeakPolarHBondContact CA-OG 3.38Å; V256-S285 WeakPolarHBondContact CB-OG 3.14Å; V256-S285 PolarHBondContact N-OG 3.46Å; H259-S285 PolarHBondContact NE2-N 3.06Å; H259-S285 PolarHBondContact NE2-O 2.92Å; D283-S285 PolarHBondContact O-N 2.96Å; S285-I287 PolarHBondContact O-N 2.59Å; S285-M316 WeakPolarHBondContact CA-O 3.05Å; S285-T318 WeakPolarHBondContact O-CB 3.47Å
286	K	93.3	Very high	90.2	Very high	25 Å²	25	36.1 Å²	36.1	11%	0.109	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-69.6	125.7	160	-67.8	174.8	-175.4	116.4	0	109.3	Y74 V288 V313 G315 M316 G317	Y74-K286 HydrophobicContact CD1-CD 4.1Å; Y74-K286 HydrophobicContact CD2-CB 3.62Å; Y74-K286 HydrophobicContact CD2-CD 4.18Å; Y74-K286 HydrophobicContact CD2-CG 4.31Å; Y74-K286 HydrophobicContact CE2-CB 3.76Å; Y74-K286 HydrophobicContact CE2-CG 4.37Å; Y74-K286 HydrophobicContact CG-CB 4.22Å; Y74-K286 HydrophobicContact CG-CD 3.91Å; K286-V288 PolarHBondContact O-N 3.06Å; K286-V313 WeakPolarHBondContact CE-O 3.25Å; K286-V313 PolarHBondContact NZ-O 3.15Å; K286-G315 PolarHBondContact NZ-O 3.26Å; K286-M316 PolarHBondContact N-O 3.46Å; K286-G317 WeakPolarHBondContact CE-O 3.49Å; K286-G317 WeakPolarHBondContact CG-O 3.17Å; K286-G317 PolarHBondContact NZ-O 3.24Å; K286-G317 VanDerWaalsContact NZ-O 3.11Å
287	I	91.3	Very high	90	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.072	19%	0.192	C	C	.	.			trans	-84.5	110	176.2	-57.2	173.1	0	0	0	109.2	Y74 I224 H259 S285 A289 K290 T296	Y74-I287 WeakPolarHBondContact CE2-O 3.07Å; I224-I287 HydrophobicContact CD1-CB 4.38Å; I224-I287 HydrophobicContact CD1-CD1 3.72Å; I224-I287 HydrophobicContact CD1-CG1 3.75Å; I224-I287 HydrophobicContact CD1-CG2 3.76Å; H259-I287 WeakPolarHBondContact CD2-CG1 3.22Å; H259-I287 WeakPolarHBondContact NE2-CG1 3.43Å; S285-I287 PolarHBondContact O-N 2.59Å; I287-A289 VanDerWaalsContact CG2-O 3.24Å; I287-A289 WeakPolarHBondContact CG2-O 3.44Å; I287-K290 HydrophobicContact CB-CG 4.37Å; I287-K290 HydrophobicContact CG2-CD 4.35Å; I287-K290 HydrophobicContact CG2-CG 3.61Å; I287-K290 WeakPolarHBondContact O-CE 3.3Å; I287-T296 HydrophobicContact CD1-CG2 4.08Å; I287-T296 HydrophobicContact CG2-CG2 4.31Å
288	V	86.1	Confident	90.1	Very high	12 Å²	12	34.9 Å²	34.9	7%	0.073	19%	0.186	C	C	.	.			trans	-74.1	-57	-177.6	179.5	0	0	0	0	110.9	S77 Q78 A220 M221 K286	S77-V288 VanDerWaalsContact CB-CG1 3.44Å; S77-V288 WeakPolarHBondContact OG-CG1 3.49Å; Q78-V288 PolarHBondContact NE2-O 2.99Å; A220-V288 HydrophobicContact CB-CB 4.1Å; A220-V288 HydrophobicContact CB-CG1 4.11Å; A220-V288 HydrophobicContact CB-CG2 4.23Å; M221-V288 HydrophobicContact CE-CG1 4.27Å; K286-V288 PolarHBondContact O-N 3.06Å
289	A	85.7	Confident	90	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.041	20%	0.201	C	C	.	.			trans	-95.5	128.6	-179.9	0	0	0	0	0	111.4	V83 P85 A220 M221 I287	V83-A289 HydrophobicContact CG1-CB 3.8Å; V83-A289 WeakPolarHBondContact O-CA 3.19Å; P85-A289 HydrophobicContact CB-CB 4.16Å; A220-A289 VanDerWaalsContact O-CB 3.3Å; A220-A289 WeakPolarHBondContact O-CB 3.34Å; A220-A289 PolarHBondContact O-N 3.23Å; M221-A289 HydrophobicContact SD-CB 3.98Å; I287-A289 VanDerWaalsContact CG2-O 3.24Å; I287-A289 WeakPolarHBondContact CG2-O 3.44Å
290	K	83.5	Confident	89.9	Confident	63 Å²	63	46 Å²	46	27%	0.274	24%	0.237	S	C	.	.			trans	-134.4	129.5	179.7	-65.2	-177.2	-179.4	175.7	0	110.2	V83 I287 T296	V83-K290 PolarHBondContact O-N 3.18Å; I287-K290 HydrophobicContact CB-CG 4.37Å; I287-K290 HydrophobicContact CG2-CD 4.35Å; I287-K290 HydrophobicContact CG2-CG 3.61Å; I287-K290 WeakPolarHBondContact O-CE 3.3Å; K290-T296 HydrophobicContact CB-CG2 4.36Å; K290-T296 HydrophobicContact CD-CG2 4.24Å; K290-T296 HydrophobicContact CG-CG2 3.88Å
291	S	80.7	Confident	89.7	Confident	41 Å²	41	47.6 Å²	47.6	29%	0.287	25%	0.254	S	S	.	.			trans	-64.1	135.5	170.6	-61.7	0	0	0	0	109.9	P85 N293 T294	P85-S291 WeakPolarHBondContact CG-OG 3.38Å; S291-N293 PolarHBondContact O-N 2.77Å; S291-T294 WeakPolarHBondContact CB-OG1 3.38Å; S291-T294 PolarHBondContact O-N 3.07Å
292	K	73.8	Confident	89.7	Confident	106 Å²	106	48 Å²	48	46%	0.461	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.8	175.3	-66.5	178.3	-179.5	176.8	0	109.3	H81 N82 T294	H81-K292 WeakPolarHBondContact O-CE 3.37Å; N82-K292 PolarHBondContact OD1-NZ 3.36Å; K292-T294 VanDerWaalsContact C-N 3.26Å; K292-T294 PolarHBondContact O-N 2.95Å
293	N	73.3	Confident	89.6	Confident	177 Å²	177	48 Å²	48	95%	0.947	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	15.7	179.7	-46.4	-43.2	0	0	0	116.1	S291	S291-N293 PolarHBondContact O-N 2.77Å
294	T	75	Confident	89.6	Confident	62 Å²	62	53.5 Å²	53.5	38%	0.38	28%	0.282	S	S	.	.			trans	-107	121.3	173	-52.4	0	0	0	0	109.9	E225 S291 K292 T296	E225-T294 HydrophobicContact CG-CG2 3.83Å; S291-T294 WeakPolarHBondContact CB-OG1 3.38Å; S291-T294 PolarHBondContact O-N 3.07Å; K292-T294 VanDerWaalsContact C-N 3.26Å; K292-T294 PolarHBondContact O-N 2.95Å; T294-T296 PolarHBondContact O-N 3.37Å
295	L	82.3	Confident	89.5	Confident	174 Å²	174	53.7 Å²	53.7	91%	0.911	28%	0.282	S	S	*	.			trans	-72.1	109.6	164.2	-64.1	178.1	0	0	0	106.7
296	T	87.6	Confident	89.6	Confident	29 Å²	29	53.6 Å²	53.6	18%	0.178	28%	0.282	C	S	.	.			trans	-124.9	145.1	-178.4	-171.6	0	0	0	0	110.2	E225 I287 K290 T294	E225-T296 WeakPolarHBondContact OE1-CA 3.23Å; E225-T296 WeakPolarHBondContact OE1-CB 3.13Å; E225-T296 PolarHBondContact OE1-OG1 3.44Å; I287-T296 HydrophobicContact CD1-CG2 4.08Å; I287-T296 HydrophobicContact CG2-CG2 4.31Å; K290-T296 HydrophobicContact CB-CG2 4.36Å; K290-T296 HydrophobicContact CD-CG2 4.24Å; K290-T296 HydrophobicContact CG-CG2 3.88Å; T294-T296 PolarHBondContact O-N 3.37Å
297	G	93.4	Very high	89.9	Confident	11 Å²	11	52.4 Å²	52.4	11%	0.113	28%	0.277	C	S	.	.	S	Bend	trans	127.7	171.4	-177.1	0	0	0	0	0	112.1
298	L	97.8	Very high	90.2	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.047	27%	0.273	C	S	.	.			trans	-75.4	132.6	172.5	178.1	67.1	0	0	0	106.7	A258 H259 V279 P284 V306 S322	A258-L298 HydrophobicContact CB-CD2 4.22Å; H259-L298 PolarHBondContact ND1-N 3.43Å; V279-L298 HydrophobicContact CG1-CD1 3.54Å; P284-L298 HydrophobicContact CG-CD2 4.17Å; L298-V306 HydrophobicContact CD1-CG1 3.78Å; L298-V306 HydrophobicContact CD2-CG1 4.15Å; L298-V306 HydrophobicContact CG-CG1 3.98Å; L298-S322 CarbonylContact C-O 3.55Å
299	A	97.2	Very high	90.8	Very high	40 Å²	40	51.2 Å²	51.2	33%	0.331	27%	0.27	S	S	.	.			trans	-140.4	154.8	-179.7	0	0	0	0	0	111.8	G301 D302 S322	A299-G301 PolarHBondContact O-N 2.91Å; A299-D302 PolarHBondContact N-OD2 2.99Å; A299-D302 WeakPolarHBondContact O-CB 3.29Å; A299-D302 PolarHBondContact O-N 3.47Å; A299-S322 CarbonylContact C-O 3.5Å; A299-S322 WeakPolarHBondContact CA-O 3.49Å; A299-S322 PolarHBondContact N-O 2.91Å
300	R	95.7	Very high	91.4	Very high	197 Å²	197	51 Å²	51	74%	0.743	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	138.1	165.2	66.8	180	-174.9	173.8	2.2	110.7	S322 D324	R300-S322 PolarHBondContact N-O 3.08Å; R300-D324 WeakPolarHBondContact CB-OD1 3.34Å
301	G	95.6	Very high	92.2	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-4.1	-178.4	0	0	0	0	0	116.1	K275 A299 A303	K275-G301 VanDerWaalsContact CE-O 3.29Å; K275-G301 WeakPolarHBondContact CE-O 3.49Å; K275-G301 PolarHBondContact NZ-O 3.26Å; A299-G301 PolarHBondContact O-N 2.91Å; G301-A303 CarbonylContact C-O 3.53Å; G301-A303 PolarHBondContact O-N 2.97Å
302	D	97.4	Very high	93	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	24%	0.242	C	C	.	.	S	Bend	trans	-60.2	-28.7	171.2	-72.7	-11.7	0	0	0	112.4	G262 A265 Q266 A299 V306	G262-D302 WeakPolarHBondContact CA-OD2 3.14Å; A265-D302 HydrophobicContact CB-CB 4.47Å; A265-D302 WeakPolarHBondContact CB-O 3.2Å; Q266-D302 HydrophobicContact CG-CB 4.37Å; Q266-D302 VanDerWaalsContact CG-OD1 3.31Å; Q266-D302 WeakPolarHBondContact CG-OD1 3.4Å; Q266-D302 PolarHBondContact NE2-OD1 3.21Å; A299-D302 PolarHBondContact N-OD2 2.99Å; A299-D302 WeakPolarHBondContact O-CB 3.29Å; A299-D302 PolarHBondContact O-N 3.47Å; D302-V306 HydrophobicContact CB-CG2 4.17Å
303	A	97.7	Very high	94	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.221	C	C	.	.	S	Bend	trans	-132.4	-175.8	174.8	0	0	0	0	0	110.1	K275 L276 V279 G301 F305 V306	K275-A303 PolarHBondContact NZ-O 2.84Å; L276-A303 VanDerWaalsContact O-CB 3.29Å; L276-A303 WeakPolarHBondContact O-CB 3.35Å; V279-A303 HydrophobicContact CB-CB 4.07Å; V279-A303 HydrophobicContact CG2-CB 3.61Å; G301-A303 CarbonylContact C-O 3.53Å; G301-A303 PolarHBondContact O-N 2.97Å; A303-F305 VanDerWaalsContact C-N 3.27Å; A303-V306 HydrophobicContact CB-CG2 4.01Å
304	E	97.6	Very high	95	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.542	20%	0.198	S	C	.	.	S	Bend	trans	-64.8	-36.8	168.8	-63.4	-174.5	156.8	0	0	111.3	K275 L276	K275-E304 HydrophobicContact CB-CG 3.69Å; K275-E304 HydrophobicContact CD-CG 4.43Å; L276-E304 PolarHBondContact O-N 3.27Å
305	F	98.2	Very high	96	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.7	173.5	-179.6	-118.9	0	0	0	110.9	R277 R278 V279 A303 D307 D324 V325 T392 A393 H394	R277-F305 PolarHBondContact O-N 3.41Å; R278-F305 CarbonylContact C-O 3.54Å; R278-F305 VanDerWaalsContact CA-O 3.27Å; R278-F305 WeakPolarHBondContact CA-O 3.44Å; R278-F305 HydrophobicContact CG-CD1 3.93Å; V279-F305 PolarHBondContact N-O 3.34Å; A303-F305 VanDerWaalsContact C-N 3.27Å; F305-D307 HydrophobicContact CE1-CB 3.81Å; F305-D307 HydrophobicContact CZ-CB 3.88Å; F305-D324 HydrophobicContact CD2-CB 4.23Å; F305-D324 HydrophobicContact CE2-CB 4.2Å; F305-V325 HydrophobicContact CE2-CG1 3.99Å; F305-V325 HydrophobicContact CZ-CG1 3.61Å; F305-T392 HydrophobicContact CE1-CG2 3.96Å; F305-T392 HydrophobicContact CZ-CG2 3.65Å; F305-A393 WeakPolarHBondContact CZ-O 3.45Å; F305-H394 HydrophobicContact CB-CB 4.3Å; F305-H394 HydrophobicContact CD1-CB 4.39Å; F305-H394 AromaticContact CD1-CD2 3.79Å; F305-H394 HydrophobicContact CD2-CB 4.42Å; F305-H394 WeakPolarHBondContact CD2-O 3.45Å; F305-H394 HydrophobicContact CG-CB 4.12Å; F305-H394 AromaticContact CG-CD2 3.93Å
306	V	98.7	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.3	177.3	-172.2	0	0	0	0	109.6	V279 L298 D302 A303 G323 D324 V325	V279-V306 HydrophobicContact CB-CG1 4.47Å; V279-V306 HydrophobicContact CB-CG2 4.4Å; V279-V306 VanDerWaalsContact O-CA 3.27Å; V279-V306 WeakPolarHBondContact O-CA 3.32Å; L298-V306 HydrophobicContact CD1-CG1 3.78Å; L298-V306 HydrophobicContact CD2-CG1 4.15Å; L298-V306 HydrophobicContact CG-CG1 3.98Å; D302-V306 HydrophobicContact CB-CG2 4.17Å; A303-V306 HydrophobicContact CB-CG2 4.01Å; V306-G323 CarbonylContact O-C 3.55Å; V306-G323 WeakPolarHBondContact O-CA 3.43Å; V306-D324 PolarHBondContact N-OD2 3.48Å; V306-D324 WeakPolarHBondContact O-CB 3.45Å; V306-D324 PolarHBondContact O-N 2.81Å; V306-V325 PolarHBondContact O-N 2.8Å
307	D	98.7	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.4	175.4	68	-57.9	0	0	0	111.9	R278 V279 T280 G281 F305 V325	R278-D307 IonicContact CZ-OD1 3.93Å; R278-D307 IonicContact CZ-OD2 3.14Å; R278-D307 IonicContact NE-OD1 3.97Å; R278-D307 PolarHBondContact NE-OD1 2.76Å; R278-D307 IonicContact NE-OD2 2.9Å; R278-D307 IonicContact NH2-OD1 3.02Å; R278-D307 PolarHBondContact NH2-OD1 2.76Å; R278-D307 IonicContact NH2-OD2 2.67Å; R278-D307 PolarHBondContact NH2-OD2 2.95Å; V279-D307 PolarHBondContact O-N 3.22Å; T280-D307 CarbonylContact C-O 3.53Å; T280-D307 VanDerWaalsContact CA-O 3.26Å; T280-D307 WeakPolarHBondContact CA-O 3.33Å; T280-D307 WeakPolarHBondContact CB-OD1 3.2Å; T280-D307 PolarHBondContact OG1-OD1 3.14Å; G281-D307 PolarHBondContact N-O 3.47Å; F305-D307 HydrophobicContact CE1-CB 3.81Å; F305-D307 HydrophobicContact CZ-CB 3.88Å; D307-V325 WeakPolarHBondContact CA-O 3.39Å; D307-V325 HydrophobicContact CB-CG1 3.63Å
308	A	98.7	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.7	179.9	0	0	0	0	0	112.6	G281 P284 H310 V325 D326 F327	G281-A308 CarbonylContact O-C 3.57Å; G281-A308 VanDerWaalsContact O-CA 3.29Å; G281-A308 WeakPolarHBondContact O-CA 3.12Å; P284-A308 HydrophobicContact CG-CB 4.24Å; A308-H310 WeakPolarHBondContact CB-NE2 3.49Å; A308-V325 PolarHBondContact N-O 2.57Å; A308-D326 WeakPolarHBondContact CB-OD1 3.42Å; A308-F327 PolarHBondContact O-N 2.92Å
309	I	98.8	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.8	175.8	-59.2	177.4	0	0	0	108.7	G281 L282 D283 T311 F327 P329 A349 F353 M388	G281-I309 PolarHBondContact O-N 3.17Å; L282-I309 HydrophobicContact CD2-CD1 4.13Å; D283-I309 WeakPolarHBondContact CA-O 3.18Å; D283-I309 PolarHBondContact N-O 3.2Å; I309-T311 HydrophobicContact CG2-CG2 4.03Å; I309-F327 HydrophobicContact CG1-CB 4.45Å; I309-F327 HydrophobicContact CG1-CD2 4.48Å; I309-P329 HydrophobicContact CG2-CG 4.05Å; I309-A349 HydrophobicContact CB-CB 4.05Å; I309-A349 HydrophobicContact CG2-CB 3.81Å; I309-F353 HydrophobicContact CD1-CB 4.29Å; I309-F353 HydrophobicContact CD1-CD2 3.88Å; I309-M388 HydrophobicContact CB-SD 4.36Å; I309-M388 HydrophobicContact CD1-CE 4.21Å; I309-M388 HydrophobicContact CD1-CG 3.67Å; I309-M388 HydrophobicContact CD1-SD 3.85Å; I309-M388 HydrophobicContact CG1-CG 3.82Å; I309-M388 HydrophobicContact CG1-SD 3.86Å; I309-M388 HydrophobicContact CG2-CE 4.36Å; I309-M388 HydrophobicContact CG2-SD 3.67Å
310	H	98.6	Very high	96.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.154	C	C	.	.			trans	-103.2	106.7	-176	-65.3	-102.5	0	0	0	111.1	A308 V313 T318 I320 D326 F327 Y328 P329	A308-H310 WeakPolarHBondContact CB-NE2 3.49Å; H310-V313 HydrophobicContact CB-CG2 3.77Å; H310-T318 PolarHBondContact ND1-O 2.95Å; H310-I320 PolarHBondContact CE1-O 3.09Å; H310-D326 IonicContact CD2-OD1 3.62Å; H310-D326 IonicContact CE1-OD1 3.58Å; H310-D326 IonicContact NE2-OD1 2.72Å; H310-D326 PolarHBondContact NE2-OD1 2.8Å; H310-F327 PolarHBondContact N-O 2.97Å; H310-Y328 HydrophobicContact CB-CD1 3.6Å; H310-Y328 HydrophobicContact CB-CE1 3.72Å; H310-Y328 HydrophobicContact CB-CG 4.44Å; H310-Y328 AromaticContact CG-CE1 3.68Å; H310-P329 WeakPolarHBondContact O-CD 3.44Å
311	T	98.5	Very high	96.8	Very high	4 Å²	4	30 Å²	30	3%	0.025	15%	0.148	C	C	.	.	S	Bend	trans	-112.6	-10.7	-178.2	54.7	0	0	0	0	114.3	D283 I309 P329 G335 V336 A345 R348 A349 Y352	D283-T311 PolarHBondContact OD1-N 3.21Å; I309-T311 HydrophobicContact CG2-CG2 4.03Å; T311-P329 HydrophobicContact CG2-CG 4.1Å; T311-G335 WeakPolarHBondContact O-CA 3.41Å; T311-V336 HydrophobicContact CG2-CG1 3.88Å; T311-V336 PolarHBondContact O-N 3.26Å; T311-A345 VanDerWaalsContact CB-O 3.32Å; T311-A345 WeakPolarHBondContact CB-O 3.49Å; T311-A345 PolarHBondContact OG1-O 3.04Å; T311-R348 HydrophobicContact CG2-CB 4.12Å; T311-A349 HydrophobicContact CG2-CB 3.99Å; T311-A349 PolarHBondContact OG1-N 3.41Å; T311-Y352 HydrophobicContact CG2-CD2 3.87Å; T311-Y352 HydrophobicContact CG2-CE2 3.67Å
312	S	97.9	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.			trans	-142.1	44.1	179.9	82.3	0	0	0	0	113.9	D283 Y314 G315 M316 G317 A333 A334	D283-S312 PolarHBondContact OD1-N 3.2Å; D283-S312 WeakPolarHBondContact OD2-CB 3.22Å; D283-S312 PolarHBondContact OD2-OG 3.08Å; S312-Y314 VanDerWaalsContact C-N 3.26Å; S312-Y314 PolarHBondContact O-N 2.55Å; S312-Y314 VanDerWaalsContact O-N 3.08Å; S312-G315 CarbonylContact O-C 3.44Å; S312-G315 VanDerWaalsContact O-C 3.3Å; S312-G315 VanDerWaalsContact O-CA 3.28Å; S312-G315 WeakPolarHBondContact O-CA 3.42Å; S312-G315 PolarHBondContact O-N 3.47Å; S312-M316 PolarHBondContact O-N 3.42Å; S312-M316 PolarHBondContact OG-N 3.41Å; S312-G317 WeakPolarHBondContact O-CA 3.38Å; S312-G317 PolarHBondContact O-N 2.93Å; S312-G317 PolarHBondContact OG-N 3.2Å; S312-A333 CarbonylContact C-O 3.52Å; S312-A334 WeakPolarHBondContact CA-O 3.44Å; S312-A334 WeakPolarHBondContact CB-O 3.14Å
313	V	95.6	Very high	96.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-43.5	-177.8	174.7	0	0	0	0	114.4	K286 H310 P319 Y328 P332 A333	K286-V313 WeakPolarHBondContact CE-O 3.25Å; K286-V313 PolarHBondContact NZ-O 3.15Å; H310-V313 HydrophobicContact CB-CG2 3.77Å; V313-P319 HydrophobicContact CG1-CB 3.53Å; V313-P319 HydrophobicContact CG1-CG 4.48Å; V313-Y328 HydrophobicContact CG2-CD1 4.11Å; V313-Y328 HydrophobicContact CG2-CE1 4.17Å; V313-P332 HydrophobicContact CB-CB 4.21Å; V313-P332 HydrophobicContact CG1-CB 4.14Å; V313-P332 HydrophobicContact CG2-CB 4.19Å; V313-A333 PolarHBondContact N-O 2.9Å; V313-A333 VanDerWaalsContact N-O 3.09Å
314	Y	94.4	Very high	96.8	Very high	120 Å²	120	30.3 Å²	30.3	47%	0.471	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-6	177	-54.4	-46.9	0	0	0	113.6	S312 P332 A333	S312-Y314 VanDerWaalsContact C-N 3.26Å; S312-Y314 PolarHBondContact O-N 2.55Å; S312-Y314 VanDerWaalsContact O-N 3.08Å; Y314-P332 HydrophobicContact CE2-CB 4.37Å; Y314-A333 PolarHBondContact N-O 2.97Å
315	G	95.3	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-119.6	170.9	0	0	0	0	0	112.3	K286 S312	K286-G315 PolarHBondContact NZ-O 3.26Å; S312-G315 CarbonylContact O-C 3.44Å; S312-G315 VanDerWaalsContact O-C 3.3Å; S312-G315 VanDerWaalsContact O-CA 3.28Å; S312-G315 WeakPolarHBondContact O-CA 3.42Å; S312-G315 PolarHBondContact O-N 3.47Å
316	M	95.3	Very high	96.8	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.049	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-28.1	-177.8	-66.4	-178.3	77.2	0	0	113.5	I55 L70 L133 S285 K286 S312 V342 V343 A346	I55-M316 HydrophobicContact CD1-CE 4.13Å; L70-M316 HydrophobicContact CD1-CB 4.46Å; L70-M316 HydrophobicContact CD1-CG 3.47Å; L70-M316 VanDerWaalsContact CD1-CG 3.47Å; L133-M316 HydrophobicContact CD1-CE 4.28Å; L133-M316 HydrophobicContact CD2-CE 3.47Å; L133-M316 VanDerWaalsContact CD2-CE 3.47Å; S285-M316 WeakPolarHBondContact CA-O 3.05Å; K286-M316 PolarHBondContact N-O 3.46Å; S312-M316 PolarHBondContact O-N 3.42Å; S312-M316 PolarHBondContact OG-N 3.41Å; M316-V342 HydrophobicContact CG-CB 4.04Å; M316-V342 HydrophobicContact CG-CG2 4.17Å; M316-V342 HydrophobicContact SD-CB 4.44Å; M316-V342 HydrophobicContact SD-CG2 4.24Å; M316-V343 HydrophobicContact SD-CB 4.46Å; M316-V343 HydrophobicContact SD-CG2 3.96Å; M316-A346 HydrophobicContact CB-CB 4.06Å; M316-A346 HydrophobicContact SD-CB 4.03Å
317	G	97.2	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-75.2	167.1	-179.7	0	0	0	0	0	113.2	P284 K286 S312	P284-G317 CarbonylContact O-C 3.3Å; P284-G317 VanDerWaalsContact O-CA 3.25Å; P284-G317 WeakPolarHBondContact O-CA 3.35Å; K286-G317 WeakPolarHBondContact CE-O 3.49Å; K286-G317 WeakPolarHBondContact CG-O 3.17Å; K286-G317 PolarHBondContact NZ-O 3.24Å; K286-G317 VanDerWaalsContact NZ-O 3.11Å; S312-G317 WeakPolarHBondContact O-CA 3.38Å; S312-G317 PolarHBondContact O-N 2.93Å; S312-G317 PolarHBondContact OG-N 3.2Å
318	T	95.6	Very high	96.7	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.037	12%	0.12	C	C	.	.			trans	-99.4	146.5	178.9	-170.6	0	0	0	0	112.6	P284 S285 H310 I320	P284-T318 HydrophobicContact CB-CG2 4.12Å; P284-T318 WeakPolarHBondContact O-CG2 3.2Å; P284-T318 PolarHBondContact O-N 3Å; S285-T318 WeakPolarHBondContact O-CB 3.47Å; H310-T318 PolarHBondContact ND1-O 2.95Å; T318-I320 VanDerWaalsContact C-N 3.26Å; T318-I320 HydrophobicContact CG2-CB 4.29Å; T318-I320 WeakPolarHBondContact OG1-CB 3.45Å; T318-I320 WeakPolarHBondContact OG1-CG1 3.49Å; T318-I320 PolarHBondContact OG1-N 2.96Å
319	P	92.3	Very high	96.7	Very high	72 Å²	72	25.5 Å²	25.5	47%	0.468	12%	0.12	S	C	.	.	S	Bend	trans	-79.1	-7	166.6	32.4	-35.6	0	0	0	113.5	V313 R321	V313-P319 HydrophobicContact CG1-CB 3.53Å; V313-P319 HydrophobicContact CG1-CG 4.48Å; P319-R321 PolarHBondContact O-N 2.71Å
320	I	94.3	Very high	96.6	Very high	94 Å²	94	27 Å²	27	48%	0.482	13%	0.129	S	C	.	.	S	Bend	trans	-77.1	124.4	-177	-58.9	173.8	0	0	0	109.2	H310 T318 S322	H310-I320 PolarHBondContact CE1-O 3.09Å; T318-I320 VanDerWaalsContact C-N 3.26Å; T318-I320 HydrophobicContact CG2-CB 4.29Å; T318-I320 WeakPolarHBondContact OG1-CB 3.45Å; T318-I320 WeakPolarHBondContact OG1-CG1 3.49Å; T318-I320 PolarHBondContact OG1-N 2.96Å; I320-S322 PolarHBondContact O-N 3.32Å; I320-S322 PolarHBondContact O-OG 3.36Å
321	R	95.6	Very high	96.5	Very high	159 Å²	159	27.3 Å²	27.3	60%	0.6	13%	0.132	S	C	*	.			trans	-53.8	126.8	169.4	-68	179.9	-175.9	151.7	1.6	110.2	P319 D326 D399	P319-R321 PolarHBondContact O-N 2.71Å; R321-D326 WeakPolarHBondContact CA-OD2 3.46Å; R321-D326 WeakPolarHBondContact CB-OD2 3.28Å; R321-D399 WeakPolarHBondContact CD-OD1 3.38Å; R321-D399 IonicContact CZ-OD1 3.83Å; R321-D399 IonicContact CZ-OD2 3.11Å; R321-D399 VanDerWaalsContact NE-CG 3.35Å; R321-D399 IonicContact NE-OD1 2.84Å; R321-D399 PolarHBondContact NE-OD1 2.78Å; R321-D399 IonicContact NE-OD2 3.91Å; R321-D399 PolarHBondContact NE-OD2 3.33Å; R321-D399 IonicContact NH2-OD2 2.98Å; R321-D399 PolarHBondContact NH2-OD2 2.97Å
322	S	96.1	Very high	96.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	15%	0.148	C	C	.	.			trans	-119.5	-18.8	-169	-60.5	0	0	0	0	113.2	L298 A299 R300 I320 D326	L298-S322 CarbonylContact C-O 3.55Å; A299-S322 CarbonylContact C-O 3.5Å; A299-S322 WeakPolarHBondContact CA-O 3.49Å; A299-S322 PolarHBondContact N-O 2.91Å; R300-S322 PolarHBondContact N-O 3.08Å; I320-S322 PolarHBondContact O-N 3.32Å; I320-S322 PolarHBondContact O-OG 3.36Å; S322-D326 PolarHBondContact N-OD1 3.3Å; S322-D326 PolarHBondContact N-OD2 3.05Å
323	G	96.8	Very high	96.2	Very high	8 Å²	8	31.4 Å²	31.4	8%	0.082	16%	0.161	C	C	.	.	S	Bend	trans	-115.7	-179.4	-176.3	0	0	0	0	0	114.7	V306 D326	V306-G323 CarbonylContact O-C 3.55Å; V306-G323 WeakPolarHBondContact O-CA 3.43Å; G323-D326 PolarHBondContact N-OD1 3.29Å; G323-D326 PolarHBondContact N-OD2 3.15Å
324	D	97.9	Very high	96.3	Very high	39 Å²	39	31.8 Å²	31.8	21%	0.209	16%	0.164	C	C	.	.	S	Bend	trans	-62.9	-40.9	155.8	-58.9	-59.1	0	0	0	108.9	R300 F305 V306 E397 G398	R300-D324 WeakPolarHBondContact CB-OD1 3.34Å; F305-D324 HydrophobicContact CD2-CB 4.23Å; F305-D324 HydrophobicContact CE2-CB 4.2Å; V306-D324 PolarHBondContact N-OD2 3.48Å; V306-D324 WeakPolarHBondContact O-CB 3.45Å; V306-D324 PolarHBondContact O-N 2.81Å; D324-E397 CarbonylContact O-C 3.44Å; D324-E397 WeakPolarHBondContact O-CA 3.22Å; D324-G398 PolarHBondContact O-N 2.96Å
325	V	97.7	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137	169.8	63.4	0	0	0	0	112.6	F305 V306 D307 A308 F327 T392 L396 G398 Y400	F305-V325 HydrophobicContact CE2-CG1 3.99Å; F305-V325 HydrophobicContact CZ-CG1 3.61Å; V306-V325 PolarHBondContact O-N 2.8Å; D307-V325 WeakPolarHBondContact CA-O 3.39Å; D307-V325 HydrophobicContact CB-CG1 3.63Å; A308-V325 PolarHBondContact N-O 2.57Å; V325-F327 HydrophobicContact CB-CE2 4.47Å; V325-F327 HydrophobicContact CG1-CE2 3.77Å; V325-F327 HydrophobicContact CG1-CZ 4.29Å; V325-F327 HydrophobicContact CG2-CD2 4.3Å; V325-F327 HydrophobicContact CG2-CE1 4.34Å; V325-F327 HydrophobicContact CG2-CE2 3.83Å; V325-F327 HydrophobicContact CG2-CZ 3.84Å; V325-T392 HydrophobicContact CG1-CG2 4.06Å; V325-L396 HydrophobicContact CB-CB 4.4Å; V325-L396 HydrophobicContact CB-CD2 4.31Å; V325-L396 HydrophobicContact CB-CG 4.26Å; V325-L396 HydrophobicContact CG1-CB 4.44Å; V325-L396 HydrophobicContact CG1-CD2 4.32Å; V325-L396 HydrophobicContact CG2-CD2 3.75Å; V325-L396 HydrophobicContact CG2-CG 3.97Å; V325-G398 WeakPolarHBondContact CA-O 3.34Å; V325-G398 WeakPolarHBondContact CG2-O 3.31Å; V325-Y400 HydrophobicContact CG2-CD2 3.57Å; V325-Y400 HydrophobicContact CG2-CE2 4.12Å; V325-Y400 HydrophobicContact CG2-CG 4.29Å
326	D	98.2	Very high	96.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.8	175.5	-64.9	-85.4	0	0	0	110.5	A308 H310 R321 S322 G323 Y328 G398 D399 Y400	A308-D326 WeakPolarHBondContact CB-OD1 3.42Å; H310-D326 IonicContact CD2-OD1 3.62Å; H310-D326 IonicContact CE1-OD1 3.58Å; H310-D326 IonicContact NE2-OD1 2.72Å; H310-D326 PolarHBondContact NE2-OD1 2.8Å; R321-D326 WeakPolarHBondContact CA-OD2 3.46Å; R321-D326 WeakPolarHBondContact CB-OD2 3.28Å; S322-D326 PolarHBondContact N-OD1 3.3Å; S322-D326 PolarHBondContact N-OD2 3.05Å; G323-D326 PolarHBondContact N-OD1 3.29Å; G323-D326 PolarHBondContact N-OD2 3.15Å; D326-Y328 HydrophobicContact CB-CE2 3.62Å; D326-G398 PolarHBondContact N-O 2.87Å; D326-D399 WeakPolarHBondContact O-CA 3.41Å; D326-Y400 PolarHBondContact O-N 2.92Å
327	F	98.3	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.9	177.6	-64.1	-84.9	0	0	0	111.5	A308 I309 H310 V325 P329 A367 M388 T392 L396 Y400 L402	A308-F327 PolarHBondContact O-N 2.92Å; I309-F327 HydrophobicContact CG1-CB 4.45Å; I309-F327 HydrophobicContact CG1-CD2 4.48Å; H310-F327 PolarHBondContact N-O 2.97Å; V325-F327 HydrophobicContact CB-CE2 4.47Å; V325-F327 HydrophobicContact CG1-CE2 3.77Å; V325-F327 HydrophobicContact CG1-CZ 4.29Å; V325-F327 HydrophobicContact CG2-CD2 4.3Å; V325-F327 HydrophobicContact CG2-CE1 4.34Å; V325-F327 HydrophobicContact CG2-CE2 3.83Å; V325-F327 HydrophobicContact CG2-CZ 3.84Å; F327-P329 VanDerWaalsContact O-CD 3.3Å; F327-P329 WeakPolarHBondContact O-CD 3.49Å; F327-A367 HydrophobicContact CD1-CB 3.89Å; F327-A367 HydrophobicContact CE1-CB 3.9Å; F327-M388 HydrophobicContact CB-CB 4.4Å; F327-M388 HydrophobicContact CB-CG 3.76Å; F327-M388 HydrophobicContact CB-SD 3.64Å; F327-M388 HydrophobicContact CD1-CB 3.59Å; F327-M388 HydrophobicContact CD1-CG 3.86Å; F327-M388 HydrophobicContact CD2-CB 4.23Å; F327-M388 HydrophobicContact CD2-CG 3.76Å; F327-M388 HydrophobicContact CE1-CB 3.8Å; F327-M388 HydrophobicContact CE1-CG 4.39Å; F327-M388 HydrophobicContact CE2-CB 4.39Å; F327-M388 HydrophobicContact CE2-CG 4.28Å; F327-M388 HydrophobicContact CG-CB 3.82Å; F327-M388 HydrophobicContact CG-CG 3.52Å; F327-M388 HydrophobicContact CG-SD 4.09Å; F327-M388 HydrophobicContact CZ-CB 4.2Å; F327-T392 HydrophobicContact CE2-CG2 3.87Å; F327-T392 HydrophobicContact CZ-CG2 3.79Å; F327-L396 HydrophobicContact CE1-CD2 4.31Å; F327-L396 HydrophobicContact CZ-CD2 3.72Å; F327-Y400 CarbonylContact C-O 3.58Å; F327-Y400 WeakPolarHBondContact CA-O 3.37Å; F327-Y400 VanDerWaalsContact CD1-CB 3.41Å; F327-Y400 HydrophobicContact CD1-CG 4.24Å; F327-Y400 HydrophobicContact CE1-CD1 4.25Å; F327-Y400 AromaticContact CE1-CG 3.96Å; F327-Y400 HydrophobicContact CE1-CG 3.96Å; F327-L402 HydrophobicContact CB-CD2 4.37Å
328	Y	98	Very high	96.5	Very high	15 Å²	15	30.9 Å²	30.9	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	82.1	178.6	-57.7	-91.6	0	0	0	110.7	H310 V313 D326 N330 G331 P332 D399 Y400	H310-Y328 HydrophobicContact CB-CD1 3.6Å; H310-Y328 HydrophobicContact CB-CE1 3.72Å; H310-Y328 HydrophobicContact CB-CG 4.44Å; H310-Y328 AromaticContact CG-CE1 3.68Å; V313-Y328 HydrophobicContact CG2-CD1 4.11Å; V313-Y328 HydrophobicContact CG2-CE1 4.17Å; D326-Y328 HydrophobicContact CB-CE2 3.62Å; Y328-N330 PolarHBondContact O-N 3.16Å; Y328-G331 PolarHBondContact O-N 3.32Å; Y328-P332 HydrophobicContact CD1-CG 3.97Å; Y328-P332 HydrophobicContact CE1-CG 4.48Å; Y328-P332 HydrophobicContact CG-CG 4.47Å; Y328-D399 HydrophobicContact CD2-CB 4.46Å; Y328-D399 HydrophobicContact CE2-CB 4.06Å; Y328-Y400 PolarHBondContact N-O 3.3Å
329	P	97.9	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	121.9	172.2	-25.9	33.1	0	0	0	112.1	I309 H310 T311 F327 G331 V336 Y352 M388 L402 V404	I309-P329 HydrophobicContact CG2-CG 4.05Å; H310-P329 WeakPolarHBondContact O-CD 3.44Å; T311-P329 HydrophobicContact CG2-CG 4.1Å; F327-P329 VanDerWaalsContact O-CD 3.3Å; F327-P329 WeakPolarHBondContact O-CD 3.49Å; P329-G331 PolarHBondContact O-N 3.47Å; P329-G331 VanDerWaalsContact O-N 3.15Å; P329-V336 HydrophobicContact CB-CG1 4.07Å; P329-V336 WeakPolarHBondContact O-CG1 3.35Å; P329-Y352 HydrophobicContact CB-CD2 4.38Å; P329-Y352 HydrophobicContact CB-CE2 3.93Å; P329-Y352 HydrophobicContact CG-CD2 4.06Å; P329-Y352 HydrophobicContact CG-CE2 4.09Å; P329-M388 HydrophobicContact CG-CE 4.16Å; P329-M388 HydrophobicContact CG-SD 3.71Å; P329-L402 HydrophobicContact CB-CD2 4.16Å; P329-L402 HydrophobicContact CB-CG 4.34Å; P329-L402 HydrophobicContact CG-CD2 3.87Å; P329-L402 HydrophobicContact CG-CG 4.4Å; P329-V404 HydrophobicContact CB-CG1 3.96Å
330	N	97.1	Very high	96.8	Very high	33 Å²	33	31.5 Å²	31.5	18%	0.176	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	20.1	-175.2	-71.7	73.1	0	0	0	114.7	Y328 P337 L373 L402 V404	Y328-N330 PolarHBondContact O-N 3.16Å; N330-P337 HydrophobicContact CB-CG 4.17Å; N330-P337 WeakPolarHBondContact ND2-CG 3.31Å; N330-L373 WeakPolarHBondContact O-CD2 3.48Å; N330-L402 WeakPolarHBondContact CA-O 3.16Å; N330-L402 PolarHBondContact N-O 3.38Å; N330-V404 WeakPolarHBondContact OD1-CG2 3.5Å; N330-V404 PolarHBondContact OD1-N 3Å
331	G	95.7	Very high	97	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	17%	0.172	C	C	.	.	S	Bend	trans	74.7	170.3	-179.8	0	0	0	0	0	114.3	Y328 P329 A333	Y328-G331 PolarHBondContact O-N 3.32Å; P329-G331 PolarHBondContact O-N 3.47Å; P329-G331 VanDerWaalsContact O-N 3.15Å; G331-A333 PolarHBondContact O-N 3.45Å
332	P	95.3	Very high	97	Very high	57 Å²	57	20.1 Å²	20.1	37%	0.37	14%	0.144	S	C	.	.	S	Bend	trans	-60.9	122.7	178.6	-23.3	34.2	0	0	0	112.4	V313 Y314 Y328	V313-P332 HydrophobicContact CB-CB 4.21Å; V313-P332 HydrophobicContact CG1-CB 4.14Å; V313-P332 HydrophobicContact CG2-CB 4.19Å; Y314-P332 HydrophobicContact CE2-CB 4.37Å; Y328-P332 HydrophobicContact CD1-CG 3.97Å; Y328-P332 HydrophobicContact CE1-CG 4.48Å; Y328-P332 HydrophobicContact CG-CG 4.47Å
333	A	95.7	Very high	97	Very high	33 Å²	33	20 Å²	20	27%	0.273	14%	0.143	S	C	.	.	S	Bend	trans	-153.7	173.4	-179	0	0	0	0	0	111.4	S312 V313 Y314 G331	S312-A333 CarbonylContact C-O 3.52Å; V313-A333 PolarHBondContact N-O 2.9Å; V313-A333 VanDerWaalsContact N-O 3.09Å; Y314-A333 PolarHBondContact N-O 2.97Å; G331-A333 PolarHBondContact O-N 3.45Å
334	A	96.8	Very high	97	Very high	10 Å²	10	21.1 Å²	21.1	8%	0.083	15%	0.146	C	C	.	.	S	Bend	trans	-64.2	-33.1	168.7	0	0	0	0	0	111.7	L63 E64 A67 S312	L63-A334 HydrophobicContact CD1-CB 4.49Å; L63-A334 HydrophobicContact CD2-CB 4.47Å; L63-A334 HydrophobicContact CG-CB 4.2Å; E64-A334 WeakPolarHBondContact OE2-CB 3.48Å; A67-A334 HydrophobicContact CB-CB 3.78Å; S312-A334 WeakPolarHBondContact CA-O 3.44Å; S312-A334 WeakPolarHBondContact CB-O 3.14Å
335	G	97.4	Very high	97.1	Very high	16 Å²	16	19.2 Å²	19.2	17%	0.165	14%	0.136	C	C	.	.	S	Bend	trans	-164	158.2	173.4	0	0	0	0	0	113.1	T311	T311-G335 WeakPolarHBondContact O-CA 3.41Å
336	V	97.4	Very high	97.1	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.042	14%	0.136	C	C	.	.			trans	-74.1	161.5	174.8	-68.2	0	0	0	0	112.6	T311 P329 G338 A339 R348 Y352	T311-V336 HydrophobicContact CG2-CG1 3.88Å; T311-V336 PolarHBondContact O-N 3.26Å; P329-V336 HydrophobicContact CB-CG1 4.07Å; P329-V336 WeakPolarHBondContact O-CG1 3.35Å; V336-G338 PolarHBondContact O-N 3.01Å; V336-A339 HydrophobicContact CG2-CB 4.47Å; V336-A339 WeakPolarHBondContact O-CB 3.32Å; V336-A339 PolarHBondContact O-N 3.21Å; V336-A339 VanDerWaalsContact O-N 3.13Å; V336-R348 HydrophobicContact CG2-CB 3.52Å; V336-R348 HydrophobicContact CG2-CG 3.45Å; V336-R348 VanDerWaalsContact CG2-CG 3.45Å; V336-Y352 WeakPolarHBondContact CB-OH 3.24Å; V336-Y352 HydrophobicContact CG1-CE2 4.26Å; V336-Y352 HydrophobicContact CG2-CE2 4.24Å; V336-Y352 WeakPolarHBondContact CG2-OH 3.48Å
337	P	97.3	Very high	97.1	Very high	46 Å²	46	19.2 Å²	19.2	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	135	178.4	-28.4	35	0	0	0	113.4	N330 A339 P406	N330-P337 HydrophobicContact CB-CG 4.17Å; N330-P337 WeakPolarHBondContact ND2-CG 3.31Å; P337-A339 VanDerWaalsContact C-N 3.29Å; P337-A339 PolarHBondContact O-N 3.14Å; P337-P406 HydrophobicContact CB-CB 4.11Å; P337-P406 WeakPolarHBondContact O-CA 3.42Å
338	G	96.2	Very high	97.1	Very high	43 Å²	43	19.6 Å²	19.6	44%	0.443	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	0.2	178.8	0	0	0	0	0	115.2	V336 R348	V336-G338 PolarHBondContact O-N 3.01Å; G338-R348 PolarHBondContact O-NH2 3.35Å
339	A	97.3	Very high	97.1	Very high	14 Å²	14	18.9 Å²	18.9	12%	0.116	14%	0.135	C	C	.	.			trans	-79.5	128.3	166.9	0	0	0	0	0	110.4	V336 P337 E344 A345	V336-A339 HydrophobicContact CG2-CB 4.47Å; V336-A339 WeakPolarHBondContact O-CB 3.32Å; V336-A339 PolarHBondContact O-N 3.21Å; V336-A339 VanDerWaalsContact O-N 3.13Å; P337-A339 VanDerWaalsContact C-N 3.29Å; P337-A339 PolarHBondContact O-N 3.14Å; A339-E344 HydrophobicContact CB-CG 4.35Å; A339-A345 HydrophobicContact CB-CB 3.81Å
340	S	96.4	Very high	97.1	Very high	77 Å²	77	18.9 Å²	18.9	54%	0.538	14%	0.135	S	C	.	.			trans	-94.9	-23.3	-177.5	56.8	0	0	0	0	113.9	L63 E344	L63-S340 PolarHBondContact N-O 3.21Å; S340-E344 PolarHBondContact N-OE2 3.43Å; S340-E344 PolarHBondContact OG-OE2 2.96Å
341	N	97	Very high	97.2	Very high	13 Å²	13	20 Å²	20	7%	0.07	14%	0.136	C	C	.	.	S	Bend	trans	-146	170.8	-179.9	64.6	57.5	0	0	0	110.5	E59 M61 V343 E344 A345	E59-N341 PolarHBondContact O-ND2 3.38Å; M61-N341 WeakPolarHBondContact O-CB 3.27Å; N341-V343 VanDerWaalsContact C-N 3.35Å; N341-V343 PolarHBondContact O-N 3.49Å; N341-V343 PolarHBondContact OD1-N 2.88Å; N341-V343 VanDerWaalsContact OD1-N 3.09Å; N341-E344 PolarHBondContact O-N 3.44Å; N341-E344 WeakPolarHBondContact OD1-CB 3.47Å; N341-E344 PolarHBondContact OD1-N 3Å; N341-A345 WeakPolarHBondContact O-CB 3.44Å; N341-A345 PolarHBondContact O-N 3.24Å
342	V	96.5	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-30.3	-175	-66.2	0	0	0	0	113.9	L58 L63 A67 L70 M316 A345 A346	L58-V342 HydrophobicContact CB-CG2 3.96Å; L58-V342 HydrophobicContact CD2-CG2 4.23Å; L58-V342 HydrophobicContact CG-CG2 4.5Å; L63-V342 HydrophobicContact CD1-CG1 3.94Å; L63-V342 WeakPolarHBondContact O-CG1 3.42Å; A67-V342 HydrophobicContact CB-CG1 4.02Å; A67-V342 VanDerWaalsContact N-CG1 3.34Å; L70-V342 HydrophobicContact CD1-CB 4.14Å; L70-V342 HydrophobicContact CD1-CG1 4.29Å; L70-V342 HydrophobicContact CD1-CG2 3.81Å; M316-V342 HydrophobicContact CG-CB 4.04Å; M316-V342 HydrophobicContact CG-CG2 4.17Å; M316-V342 HydrophobicContact SD-CB 4.44Å; M316-V342 HydrophobicContact SD-CG2 4.24Å; V342-A345 PolarHBondContact O-N 3.38Å; V342-A346 WeakPolarHBondContact O-CB 3.12Å; V342-A346 PolarHBondContact O-N 3.03Å
343	V	96.6	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73	-42.5	179.1	179.3	0	0	0	0	110.3	I55 L58 E59 T139 V140 M316 N341 A346 M347	I55-V343 HydrophobicContact CG2-CG1 4.41Å; I55-V343 HydrophobicContact CG2-CG2 4.2Å; L58-V343 HydrophobicContact CB-CG2 3.95Å; E59-V343 HydrophobicContact CG-CB 3.73Å; E59-V343 HydrophobicContact CG-CG1 3.92Å; E59-V343 HydrophobicContact CG-CG2 3.74Å; T139-V343 HydrophobicContact CG2-CG1 4.49Å; V140-V343 HydrophobicContact CG2-CG1 3.93Å; M316-V343 HydrophobicContact SD-CB 4.46Å; M316-V343 HydrophobicContact SD-CG2 3.96Å; N341-V343 VanDerWaalsContact C-N 3.35Å; N341-V343 PolarHBondContact O-N 3.49Å; N341-V343 PolarHBondContact OD1-N 2.88Å; N341-V343 VanDerWaalsContact OD1-N 3.09Å; V343-A346 PolarHBondContact O-N 3.31Å; V343-M347 WeakPolarHBondContact O-CB 3.31Å; V343-M347 WeakPolarHBondContact O-CG 3.42Å; V343-M347 PolarHBondContact O-N 2.97Å
344	E	97.2	Very high	97.6	Very high	32 Å²	32	15.5 Å²	15.5	15%	0.15	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-46.4	171.7	-172.6	-178.1	-178.7	0	0	110.3	T139 A339 S340 N341 A346 M347 R348	T139-E344 HydrophobicContact CG2-CB 4.23Å; A339-E344 HydrophobicContact CB-CG 4.35Å; S340-E344 PolarHBondContact N-OE2 3.43Å; S340-E344 PolarHBondContact OG-OE2 2.96Å; N341-E344 PolarHBondContact O-N 3.44Å; N341-E344 WeakPolarHBondContact OD1-CB 3.47Å; N341-E344 PolarHBondContact OD1-N 3Å; E344-A346 VanDerWaalsContact C-N 3.33Å; E344-A346 PolarHBondContact O-N 2.86Å; E344-M347 CarbonylContact O-C 3.53Å; E344-M347 PolarHBondContact O-N 2.77Å; E344-M347 VanDerWaalsContact O-N 3.15Å; E344-R348 VanDerWaalsContact O-CG 3.24Å; E344-R348 WeakPolarHBondContact O-CG 3.16Å; E344-R348 PolarHBondContact O-N 2.78Å; E344-R348 VanDerWaalsContact O-N 3.1Å; E344-R348 IonicContact OE1-CZ 3.65Å; E344-R348 IonicContact OE1-NE 3.81Å; E344-R348 IonicContact OE1-NH2 2.7Å; E344-R348 PolarHBondContact OE1-NH2 3Å
345	A	98.2	Very high	97.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.7	-45.8	177.2	0	0	0	0	0	111.9	L63 T311 A339 N341 V342 M347 R348	L63-A345 HydrophobicContact CD1-CB 3.91Å; T311-A345 VanDerWaalsContact CB-O 3.32Å; T311-A345 WeakPolarHBondContact CB-O 3.49Å; T311-A345 PolarHBondContact OG1-O 3.04Å; A339-A345 HydrophobicContact CB-CB 3.81Å; N341-A345 WeakPolarHBondContact O-CB 3.44Å; N341-A345 PolarHBondContact O-N 3.24Å; V342-A345 PolarHBondContact O-N 3.38Å; A345-M347 VanDerWaalsContact C-N 3.34Å; A345-M347 PolarHBondContact O-N 3.34Å; A345-R348 WeakPolarHBondContact O-CB 3.48Å; A345-R348 PolarHBondContact O-N 3.26Å
346	A	98	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.5	-40.2	176.6	0	0	0	0	0	112.4	L133 D283 M316 V342 V343 E344 R348	L133-A346 HydrophobicContact CD1-CB 4.43Å; D283-A346 VanDerWaalsContact OD2-CA 3.22Å; D283-A346 WeakPolarHBondContact OD2-CA 3.1Å; D283-A346 WeakPolarHBondContact OD2-CB 3.2Å; M316-A346 HydrophobicContact CB-CB 4.06Å; M316-A346 HydrophobicContact SD-CB 4.03Å; V342-A346 WeakPolarHBondContact O-CB 3.12Å; V342-A346 PolarHBondContact O-N 3.03Å; V343-A346 PolarHBondContact O-N 3.31Å; E344-A346 VanDerWaalsContact C-N 3.33Å; E344-A346 PolarHBondContact O-N 2.86Å; A346-R348 PolarHBondContact O-N 3.46Å
347	M	98	Very high	97.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-78.4	-1.7	-178.5	-66.3	-80.6	65.5	0	0	114.9	L133 T139 V140 A143 Q254 V343 E344 A345 T350 R351	L133-M347 HydrophobicContact CD1-CE 4.41Å; L133-M347 HydrophobicContact CD1-CG 4.14Å; L133-M347 HydrophobicContact CD1-SD 4.08Å; T139-M347 HydrophobicContact CG2-CB 4.39Å; V140-M347 HydrophobicContact CB-SD 4.16Å; V140-M347 HydrophobicContact CG1-SD 4.03Å; V140-M347 HydrophobicContact CG2-CG 4.02Å; V140-M347 HydrophobicContact CG2-SD 3.96Å; A143-M347 HydrophobicContact CB-CB 3.89Å; A143-M347 HydrophobicContact CB-CG 4.34Å; A143-M347 HydrophobicContact CB-SD 3.97Å; Q254-M347 HydrophobicContact CB-CE 4.33Å; V343-M347 WeakPolarHBondContact O-CB 3.31Å; V343-M347 WeakPolarHBondContact O-CG 3.42Å; V343-M347 PolarHBondContact O-N 2.97Å; E344-M347 CarbonylContact O-C 3.53Å; E344-M347 PolarHBondContact O-N 2.77Å; E344-M347 VanDerWaalsContact O-N 3.15Å; A345-M347 VanDerWaalsContact C-N 3.34Å; A345-M347 PolarHBondContact O-N 3.34Å; M347-T350 WeakPolarHBondContact CE-OG1 3.45Å; M347-T350 PolarHBondContact O-N 3.04Å; M347-R351 WeakPolarHBondContact O-CG 3.43Å; M347-R351 PolarHBondContact O-N 2.91Å
348	R	98.3	Very high	97.4	Very high	9 Å²	9	15 Å²	15	3%	0.034	9%	0.088	C	C	.	.	H	α-helix	trans	-69.3	-35.7	173.2	-72.3	-82.3	175.1	146.9	2.4	112.4	T311 V336 G338 E344 A345 A346 T350 R351 Y352 P406	T311-R348 HydrophobicContact CG2-CB 4.12Å; V336-R348 HydrophobicContact CG2-CB 3.52Å; V336-R348 HydrophobicContact CG2-CG 3.45Å; V336-R348 VanDerWaalsContact CG2-CG 3.45Å; G338-R348 PolarHBondContact O-NH2 3.35Å; E344-R348 VanDerWaalsContact O-CG 3.24Å; E344-R348 WeakPolarHBondContact O-CG 3.16Å; E344-R348 PolarHBondContact O-N 2.78Å; E344-R348 VanDerWaalsContact O-N 3.1Å; E344-R348 IonicContact OE1-CZ 3.65Å; E344-R348 IonicContact OE1-NE 3.81Å; E344-R348 IonicContact OE1-NH2 2.7Å; E344-R348 PolarHBondContact OE1-NH2 3Å; A345-R348 WeakPolarHBondContact O-CB 3.48Å; A345-R348 PolarHBondContact O-N 3.26Å; A346-R348 PolarHBondContact O-N 3.46Å; R348-T350 VanDerWaalsContact C-N 3.32Å; R348-T350 PolarHBondContact O-N 3.47Å; R348-R351 PolarHBondContact O-N 3.39Å; R348-Y352 HydrophobicContact CB-CD2 4.5Å; R348-Y352 HydrophobicContact CB-CE1 4.36Å; R348-Y352 HydrophobicContact CB-CE2 3.95Å; R348-Y352 WeakPolarHBondContact O-CD2 3.42Å; R348-Y352 PolarHBondContact O-N 3.29Å; R348-P406 PolarHBondContact NH1-O 2.74Å; R348-P406 PolarHBondContact NH2-O 3.21Å
349	A	98.7	Very high	97.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-54.5	-48.9	173.2	0	0	0	0	0	111.6	L282 D283 I309 T311 R351 Y352 F353	L282-A349 HydrophobicContact CB-CB 4.02Å; D283-A349 HydrophobicContact CB-CB 3.79Å; I309-A349 HydrophobicContact CB-CB 4.05Å; I309-A349 HydrophobicContact CG2-CB 3.81Å; T311-A349 HydrophobicContact CG2-CB 3.99Å; T311-A349 PolarHBondContact OG1-N 3.41Å; A349-R351 VanDerWaalsContact C-N 3.33Å; A349-R351 PolarHBondContact O-N 3.07Å; A349-Y352 PolarHBondContact O-N 2.92Å; A349-F353 WeakPolarHBondContact O-CB 3.39Å; A349-F353 PolarHBondContact O-N 2.96Å
350	T	98.8	Very high	96.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59	-41.3	174.5	-63.7	0	0	0	0	112.9	A143 L147 Q254 M347 R348 A354	A143-T350 HydrophobicContact CB-CG2 3.9Å; A143-T350 WeakPolarHBondContact O-CG2 3.4Å; L147-T350 HydrophobicContact CB-CG2 3.98Å; L147-T350 HydrophobicContact CD2-CG2 4.05Å; Q254-T350 VanDerWaalsContact NE2-CG2 3.26Å; Q254-T350 PolarHBondContact NE2-OG1 2.89Å; M347-T350 WeakPolarHBondContact CE-OG1 3.45Å; M347-T350 PolarHBondContact O-N 3.04Å; R348-T350 VanDerWaalsContact C-N 3.32Å; R348-T350 PolarHBondContact O-N 3.47Å; T350-A354 WeakPolarHBondContact O-CB 3.45Å; T350-A354 PolarHBondContact O-N 2.89Å
351	R	98.4	Very high	96.6	Very high	55 Å²	55	11.5 Å²	11.5	21%	0.208	6%	0.059	C	C	.	.	H	α-helix	trans	-72.4	-37	-179.2	-68.1	-179.9	70.5	-169.2	4.1	112.6	A143 M347 R348 A349 E355 F410	A143-R351 HydrophobicContact CB-CG 4.03Å; M347-R351 WeakPolarHBondContact O-CG 3.43Å; M347-R351 PolarHBondContact O-N 2.91Å; R348-R351 PolarHBondContact O-N 3.39Å; A349-R351 VanDerWaalsContact C-N 3.33Å; A349-R351 PolarHBondContact O-N 3.07Å; R351-E355 WeakPolarHBondContact O-CB 3.33Å; R351-E355 PolarHBondContact O-N 3.03Å; R351-F410 HydrophobicContact CB-CE2 3.99Å; R351-F410 VanDerWaalsContact NH2-CZ 3.3Å
352	Y	98.6	Very high	96.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.7	-46.2	174.1	-60.7	-22.5	0	0	0	110.6	T311 P329 V336 R348 A349 A354 E355 S356 F365 M388 V404 F410	T311-Y352 HydrophobicContact CG2-CD2 3.87Å; T311-Y352 HydrophobicContact CG2-CE2 3.67Å; P329-Y352 HydrophobicContact CB-CD2 4.38Å; P329-Y352 HydrophobicContact CB-CE2 3.93Å; P329-Y352 HydrophobicContact CG-CD2 4.06Å; P329-Y352 HydrophobicContact CG-CE2 4.09Å; V336-Y352 WeakPolarHBondContact CB-OH 3.24Å; V336-Y352 HydrophobicContact CG1-CE2 4.26Å; V336-Y352 HydrophobicContact CG2-CE2 4.24Å; V336-Y352 WeakPolarHBondContact CG2-OH 3.48Å; R348-Y352 HydrophobicContact CB-CD2 4.5Å; R348-Y352 HydrophobicContact CB-CE1 4.36Å; R348-Y352 HydrophobicContact CB-CE2 3.95Å; R348-Y352 WeakPolarHBondContact O-CD2 3.42Å; R348-Y352 PolarHBondContact O-N 3.29Å; A349-Y352 PolarHBondContact O-N 2.92Å; Y352-A354 PolarHBondContact O-N 3.32Å; Y352-E355 PolarHBondContact O-N 3.05Å; Y352-S356 PolarHBondContact O-N 2.53Å; Y352-F365 AromaticContact CD1-CE1 3.93Å; Y352-F365 HydrophobicContact CD1-CE1 3.93Å; Y352-F365 HydrophobicContact CD1-CZ 4.16Å; Y352-F365 AromaticContact CG-CE1 3.95Å; Y352-F365 HydrophobicContact CG-CE1 3.95Å; Y352-F365 HydrophobicContact CG-CZ 4.26Å; Y352-F365 WeakPolarHBondContact O-CE2 3.17Å; Y352-M388 HydrophobicContact CD2-CE 4.14Å; Y352-M388 HydrophobicContact CG-CE 4.27Å; Y352-V404 HydrophobicContact CE1-CB 4.43Å; Y352-V404 HydrophobicContact CE1-CG2 4.33Å; Y352-V404 HydrophobicContact CE2-CG1 4.15Å; Y352-V404 HydrophobicContact CE2-CG2 4.21Å; Y352-V404 WeakPolarHBondContact OH-CG2 3.42Å; Y352-F410 HydrophobicContact CD1-CB 3.51Å; Y352-F410 HydrophobicContact CD1-CD1 4.45Å; Y352-F410 AromaticContact CD1-CD2 3.68Å; Y352-F410 HydrophobicContact CD1-CD2 3.68Å; Y352-F410 AromaticContact CD1-CG 3.63Å; Y352-F410 HydrophobicContact CD1-CG 3.63Å; Y352-F410 HydrophobicContact CE1-CB 3.46Å; Y352-F410 VanDerWaalsContact CE1-CB 3.46Å; Y352-F410 AromaticContact CE1-CD1 3.8Å; Y352-F410 HydrophobicContact CE1-CD1 3.8Å; Y352-F410 AromaticContact CE1-CD2 3.84Å; Y352-F410 HydrophobicContact CE1-CD2 3.84Å; Y352-F410 AromaticContact CE1-CG 3.41Å; Y352-F410 HydrophobicContact CE1-CG 3.41Å; Y352-F410 VanDerWaalsContact CE1-CG 3.41Å
353	F	98.6	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.3	-48.2	175.7	-162.6	-86.1	0	0	0	111.3	L147 Y151 H250 I252 T280 L282 I309 A349 E355 S356 V357 I390	L147-F353 HydrophobicContact CD1-CD1 3.8Å; L147-F353 HydrophobicContact CD1-CE1 4.5Å; Y151-F353 HydrophobicContact CE2-CE1 4.16Å; Y151-F353 WeakPolarHBondContact OH-CE1 3.49Å; H250-F353 AromaticContact CE1-CZ 3.86Å; I252-F353 HydrophobicContact CD1-CE1 3.84Å; I252-F353 HydrophobicContact CD1-CZ 4.36Å; T280-F353 HydrophobicContact CG2-CD2 3.99Å; T280-F353 HydrophobicContact CG2-CE2 3.73Å; T280-F353 HydrophobicContact CG2-CZ 4.4Å; L282-F353 HydrophobicContact CD2-CB 3.65Å; L282-F353 HydrophobicContact CD2-CD2 3.91Å; L282-F353 HydrophobicContact CD2-CG 3.84Å; I309-F353 HydrophobicContact CD1-CB 4.29Å; I309-F353 HydrophobicContact CD1-CD2 3.88Å; A349-F353 WeakPolarHBondContact O-CB 3.39Å; A349-F353 PolarHBondContact O-N 2.96Å; F353-E355 VanDerWaalsContact C-N 3.27Å; F353-E355 PolarHBondContact O-N 3.35Å; F353-S356 PolarHBondContact O-N 3.45Å; F353-S356 PolarHBondContact O-OG 3.28Å; F353-V357 HydrophobicContact CD1-CG2 3.67Å; F353-V357 HydrophobicContact CE1-CG2 3.48Å; F353-V357 VanDerWaalsContact CE1-CG2 3.48Å; F353-V357 HydrophobicContact CZ-CG2 4.39Å; F353-V357 VanDerWaalsContact O-CG2 3.31Å; F353-V357 WeakPolarHBondContact O-CG2 3.23Å; F353-V357 PolarHBondContact O-N 3.18Å; F353-I390 HydrophobicContact CE1-CD1 4.38Å; F353-I390 HydrophobicContact CZ-CD1 4.09Å
354	A	98.3	Very high	96.2	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-56.4	-38.8	175.2	0	0	0	0	0	113.1	L147 A150 T350 Y352 V357	L147-A354 HydrophobicContact CB-CB 4Å; L147-A354 HydrophobicContact CD1-CB 3.96Å; A150-A354 HydrophobicContact CB-CB 4.36Å; A150-A354 WeakPolarHBondContact CB-O 3.47Å; T350-A354 WeakPolarHBondContact O-CB 3.45Å; T350-A354 PolarHBondContact O-N 2.89Å; Y352-A354 PolarHBondContact O-N 3.32Å; A354-V357 PolarHBondContact O-N 2.85Å
355	E	97.6	Very high	96.3	Very high	7 Å²	7	17.8 Å²	17.8	3%	0.033	8%	0.081	C	C	.	.	H	α-helix	trans	-65.1	-41.7	175.6	-177.1	172.9	137.9	0	0	111.6	R351 Y352 F353 V357 R358 N361 F365 F410 G411	R351-E355 WeakPolarHBondContact O-CB 3.33Å; R351-E355 PolarHBondContact O-N 3.03Å; Y352-E355 PolarHBondContact O-N 3.05Å; F353-E355 VanDerWaalsContact C-N 3.27Å; F353-E355 PolarHBondContact O-N 3.35Å; E355-V357 VanDerWaalsContact C-N 3.32Å; E355-V357 PolarHBondContact O-N 3.45Å; E355-R358 PolarHBondContact O-N 2.98Å; E355-N361 WeakPolarHBondContact O-CB 3.45Å; E355-N361 PolarHBondContact O-ND2 3.1Å; E355-F365 HydrophobicContact CB-CE2 3.93Å; E355-F365 HydrophobicContact CB-CZ 3.98Å; E355-F365 HydrophobicContact CG-CE2 4.05Å; E355-F365 HydrophobicContact CG-CZ 4.12Å; E355-F410 VanDerWaalsContact CD-N 3.28Å; E355-F410 PolarHBondContact OE1-N 2.76Å; E355-F410 WeakPolarHBondContact OE2-CB 3.44Å; E355-F410 WeakPolarHBondContact OE2-CD2 3.39Å; E355-F410 PolarHBondContact OE2-N 3.26Å; E355-G411 PolarHBondContact OE1-N 3.4Å
356	S	97	Very high	96.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-31	177.4	77.1	0	0	0	0	113.5	Y352 F353 R358 N361 E362 G389 I390	Y352-S356 PolarHBondContact O-N 2.53Å; F353-S356 PolarHBondContact O-N 3.45Å; F353-S356 PolarHBondContact O-OG 3.28Å; S356-R358 VanDerWaalsContact C-N 3.28Å; S356-R358 PolarHBondContact O-N 3.45Å; S356-N361 CarbonylContact O-C 3.46Å; S356-E362 WeakPolarHBondContact O-CA 3.23Å; S356-G389 WeakPolarHBondContact OG-CA 3.49Å; S356-I390 WeakPolarHBondContact O-CG2 3.32Å; S356-I390 PolarHBondContact OG-N 3.05Å
357	V	95.9	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.8	-29.1	-178.5	168.8	0	0	0	0	112.1	L147 A150 Y151 R154 F353 A354 E355 I390	L147-V357 HydrophobicContact CD1-CG2 4.47Å; A150-V357 HydrophobicContact CB-CB 3.92Å; A150-V357 HydrophobicContact CB-CG1 3.8Å; Y151-V357 HydrophobicContact CD1-CG1 3.98Å; Y151-V357 HydrophobicContact CD2-CG1 3.86Å; Y151-V357 HydrophobicContact CD2-CG2 4.33Å; Y151-V357 HydrophobicContact CE1-CG1 4.15Å; Y151-V357 HydrophobicContact CE2-CG1 4.02Å; Y151-V357 HydrophobicContact CE2-CG2 3.75Å; Y151-V357 HydrophobicContact CG-CG1 3.83Å; R154-V357 HydrophobicContact CB-CG1 4.3Å; R154-V357 PolarHBondContact NH1-O 3.41Å; F353-V357 HydrophobicContact CD1-CG2 3.67Å; F353-V357 HydrophobicContact CE1-CG2 3.48Å; F353-V357 VanDerWaalsContact CE1-CG2 3.48Å; F353-V357 HydrophobicContact CZ-CG2 4.39Å; F353-V357 VanDerWaalsContact O-CG2 3.31Å; F353-V357 WeakPolarHBondContact O-CG2 3.23Å; F353-V357 PolarHBondContact O-N 3.18Å; A354-V357 PolarHBondContact O-N 2.85Å; E355-V357 VanDerWaalsContact C-N 3.32Å; E355-V357 PolarHBondContact O-N 3.45Å; V357-I390 HydrophobicContact CG2-CB 4.09Å; V357-I390 HydrophobicContact CG2-CD1 4.22Å; V357-I390 HydrophobicContact CG2-CG1 4.24Å
358	R	93.4	Very high	95.9	Very high	60 Å²	60	19.5 Å²	19.5	23%	0.226	9%	0.092	C	C	.	.	S	Bend	trans	-61.8	134.6	-178	-71.2	176.1	172.6	-173.1	-12.3	110.7	A150 E355 S356 G360 N361	A150-R358 HydrophobicContact CB-CG 3.87Å; E355-R358 PolarHBondContact O-N 2.98Å; S356-R358 VanDerWaalsContact C-N 3.28Å; S356-R358 PolarHBondContact O-N 3.45Å; R358-G360 PolarHBondContact O-N 2.92Å; R358-N361 HydrophobicContact CB-CB 4.26Å; R358-N361 WeakPolarHBondContact O-CB 3.43Å; R358-N361 PolarHBondContact O-N 3.36Å
359	P	89.9	Confident	95.7	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.032	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	128.4	178.7	-31.3	40.9	0	0	0	112.7	R154 L157 V194 A197 T199 E362	R154-P359 HydrophobicContact CB-CG 4.27Å; R154-P359 HydrophobicContact CG-CG 4.5Å; L157-P359 HydrophobicContact CD1-CB 4.1Å; L157-P359 HydrophobicContact CD1-CG 3.69Å; V194-P359 HydrophobicContact CG1-CB 4.22Å; A197-P359 HydrophobicContact CB-CB 3.96Å; T199-P359 HydrophobicContact CG2-CB 4.08Å; T199-P359 HydrophobicContact CG2-CG 3.96Å; P359-E362 WeakPolarHBondContact CA-OE1 3.41Å
360	G	89.1	Confident	95.5	Very high	29 Å²	29	20.6 Å²	20.6	30%	0.299	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-12.6	-174.6	0	0	0	0	0	114.5	R358 E362 P415	R358-G360 PolarHBondContact O-N 2.92Å; G360-E362 WeakPolarHBondContact CA-OE2 3.24Å; G360-E362 PolarHBondContact N-OE1 3.44Å; G360-E362 PolarHBondContact N-OE2 2.8Å; G360-P415 VanDerWaalsContact O-CG 3.24Å; G360-P415 WeakPolarHBondContact O-CG 3.4Å
361	N	93.8	Very high	95.1	Very high	28 Å²	28	26.7 Å²	26.7	15%	0.15	13%	0.133	C	C	.	.			trans	-105.8	8.6	-178.6	-67.6	7.2	0	0	0	113.4	E355 S356 R358 R363 S364 P415	E355-N361 WeakPolarHBondContact O-CB 3.45Å; E355-N361 PolarHBondContact O-ND2 3.1Å; S356-N361 CarbonylContact O-C 3.46Å; R358-N361 HydrophobicContact CB-CB 4.26Å; R358-N361 WeakPolarHBondContact O-CB 3.43Å; R358-N361 PolarHBondContact O-N 3.36Å; N361-R363 PolarHBondContact O-N 2.88Å; N361-S364 VanDerWaalsContact CA-OG 3.3Å; N361-S364 WeakPolarHBondContact CA-OG 3.39Å; N361-S364 WeakPolarHBondContact CB-OG 3.44Å; N361-S364 WeakPolarHBondContact O-CB 3.23Å; N361-S364 PolarHBondContact O-N 3.46Å; N361-S364 PolarHBondContact O-OG 2.97Å; N361-P415 VanDerWaalsContact OD1-CD 3.22Å; N361-P415 WeakPolarHBondContact OD1-CD 3.29Å
362	E	93.8	Very high	94.7	Very high	32 Å²	32	26.2 Å²	26.2	15%	0.15	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.7	-174.7	-70.1	85.8	179.5	0	0	112.5	R154 S356 P359 G360 I390 D391	R154-E362 IonicContact NH1-OE1 3.89Å; S356-E362 WeakPolarHBondContact O-CA 3.23Å; P359-E362 WeakPolarHBondContact CA-OE1 3.41Å; G360-E362 WeakPolarHBondContact CA-OE2 3.24Å; G360-E362 PolarHBondContact N-OE1 3.44Å; G360-E362 PolarHBondContact N-OE2 2.8Å; E362-I390 HydrophobicContact CB-CG2 4.29Å; E362-I390 HydrophobicContact CG-CG2 4Å; E362-D391 HydrophobicContact CB-CB 3.96Å; E362-D391 WeakPolarHBondContact O-CB 3.43Å
363	R	94.5	Very high	94.4	Very high	144 Å²	144	28.1 Å²	28.1	54%	0.543	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	18.9	-176.1	-66.8	-175.5	174.7	-178.5	-1.8	114.3	N361 F365 Y387 D391	N361-R363 PolarHBondContact O-N 2.88Å; R363-F365 PolarHBondContact O-N 3.09Å; R363-Y387 HydrophobicContact CB-CD1 3.63Å; R363-Y387 HydrophobicContact CB-CD2 4.48Å; R363-Y387 HydrophobicContact CB-CE1 3.59Å; R363-Y387 HydrophobicContact CB-CE2 4.46Å; R363-Y387 HydrophobicContact CB-CG 4.09Å; R363-Y387 HydrophobicContact CG-CD1 3.96Å; R363-Y387 HydrophobicContact CG-CD2 3.89Å; R363-Y387 HydrophobicContact CG-CE1 3.98Å; R363-Y387 HydrophobicContact CG-CE2 3.93Å; R363-Y387 HydrophobicContact CG-CG 3.9Å; R363-Y387 WeakPolarHBondContact O-CD1 3.11Å; R363-D391 WeakPolarHBondContact CG-OD2 3.24Å; R363-D391 IonicContact CZ-OD2 2.68Å; R363-D391 IonicContact NE-OD2 3.54Å; R363-D391 PolarHBondContact NE-OD2 3.11Å; R363-D391 VanDerWaalsContact NE-OD2 3.11Å; R363-D391 IonicContact NH2-OD2 3.38Å
364	S	95	Very high	94.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.177	C	C	.	.	S	Bend	trans	-68	-19.7	-175.5	-63.3	0	0	0	0	114.5	N361 P366 G411 R412 N413 A414	N361-S364 VanDerWaalsContact CA-OG 3.3Å; N361-S364 WeakPolarHBondContact CA-OG 3.39Å; N361-S364 WeakPolarHBondContact CB-OG 3.44Å; N361-S364 WeakPolarHBondContact O-CB 3.23Å; N361-S364 PolarHBondContact O-N 3.46Å; N361-S364 PolarHBondContact O-OG 2.97Å; S364-P366 VanDerWaalsContact C-CD 3.47Å; S364-P366 WeakPolarHBondContact O-CD 3.28Å; S364-G411 CarbonylContact O-C 3.59Å; S364-G411 VanDerWaalsContact O-C 3.26Å; S364-G411 WeakPolarHBondContact O-CA 3.25Å; S364-R412 PolarHBondContact O-N 3.25Å; S364-N413 PolarHBondContact O-N 3.42Å; S364-N413 VanDerWaalsContact O-N 3.08Å; S364-A414 WeakPolarHBondContact OG-CA 3.38Å
365	F	97.5	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-117.5	72.1	-175	-62.1	-86.9	0	0	0	112.5	Y352 E355 R363 A367 Y387 M388 L402 V404 F410	Y352-F365 AromaticContact CD1-CE1 3.93Å; Y352-F365 HydrophobicContact CD1-CE1 3.93Å; Y352-F365 HydrophobicContact CD1-CZ 4.16Å; Y352-F365 AromaticContact CG-CE1 3.95Å; Y352-F365 HydrophobicContact CG-CE1 3.95Å; Y352-F365 HydrophobicContact CG-CZ 4.26Å; Y352-F365 WeakPolarHBondContact O-CE2 3.17Å; E355-F365 HydrophobicContact CB-CE2 3.93Å; E355-F365 HydrophobicContact CB-CZ 3.98Å; E355-F365 HydrophobicContact CG-CE2 4.05Å; E355-F365 HydrophobicContact CG-CZ 4.12Å; R363-F365 PolarHBondContact O-N 3.09Å; F365-A367 PolarHBondContact O-N 2.72Å; F365-Y387 WeakPolarHBondContact O-CA 3.42Å; F365-M388 HydrophobicContact CB-CB 3.9Å; F365-M388 HydrophobicContact CB-CE 3.94Å; F365-M388 HydrophobicContact CD1-CE 3.58Å; F365-M388 HydrophobicContact CD2-CE 4.38Å; F365-M388 HydrophobicContact CE1-CE 4.17Å; F365-M388 HydrophobicContact CG-CE 3.71Å; F365-M388 PolarHBondContact O-N 3.13Å; F365-L402 HydrophobicContact CB-CD1 3.73Å; F365-L402 HydrophobicContact CD1-CD1 4.14Å; F365-L402 HydrophobicContact CG-CD1 4.42Å; F365-V404 HydrophobicContact CD1-CG1 4.02Å; F365-V404 HydrophobicContact CE1-CG1 4.08Å; F365-F410 HydrophobicContact CE1-CB 3.89Å; F365-F410 HydrophobicContact CZ-CB 3.98Å
366	P	95.5	Very high	93.5	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	130.4	176.6	30.2	-36.8	0	0	0	110.8	S364 A386 Y387 L402	S364-P366 VanDerWaalsContact C-CD 3.47Å; S364-P366 WeakPolarHBondContact O-CD 3.28Å; P366-A386 CarbonylContact C-O 3.48Å; P366-A386 WeakPolarHBondContact CA-O 3.4Å; P366-Y387 HydrophobicContact CB-CD1 4.31Å; P366-Y387 HydrophobicContact CB-CE1 4.19Å; P366-L402 WeakPolarHBondContact O-CB 2.93Å
367	A	96	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.4	178.2	0	0	0	0	0	111	F327 F365 R385 A386 Y400 I401 L402	F327-A367 HydrophobicContact CD1-CB 3.89Å; F327-A367 HydrophobicContact CE1-CB 3.9Å; F365-A367 PolarHBondContact O-N 2.72Å; A367-R385 WeakPolarHBondContact O-CA 3.42Å; A367-A386 PolarHBondContact N-O 3.04Å; A367-A386 PolarHBondContact O-N 3.22Å; A367-Y400 HydrophobicContact CB-CD1 3.92Å; A367-Y400 HydrophobicContact CB-CG 4.47Å; A367-I401 WeakPolarHBondContact CA-O 3.48Å; A367-L402 HydrophobicContact CB-CB 3.89Å; A367-L402 HydrophobicContact CB-CD2 4.28Å; A367-L402 HydrophobicContact CB-CG 4.47Å
368	V	94.8	Very high	93	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.4	174.3	-62	0	0	0	0	109.8	A370 Y376 I401	V368-A370 PolarHBondContact O-N 2.97Å; V368-Y376 HydrophobicContact CG2-CD2 3.28Å; V368-Y376 HydrophobicContact CG2-CE2 3.64Å; V368-Y376 HydrophobicContact CG2-CG 4.35Å; V368-I401 PolarHBondContact N-O 3.25Å; V368-I401 PolarHBondContact O-N 2.9Å
369	P	95.4	Very high	92.7	Very high	26 Å²	26	52.7 Å²	52.7	17%	0.169	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.7	176.4	27.7	-32.3	0	0	0	109.4	G381 F382 G383 D399 Y400	P369-G381 WeakPolarHBondContact O-CA 3.49Å; P369-F382 PolarHBondContact O-N 3.13Å; P369-G383 VanDerWaalsContact CG-N 3.33Å; P369-D399 WeakPolarHBondContact CA-O 3.37Å; P369-Y400 HydrophobicContact CB-CE1 4.22Å; P369-Y400 HydrophobicContact CB-CE2 4.19Å; P369-Y400 HydrophobicContact CG-CE1 4.29Å
370	A	93.5	Very high	92.3	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	28%	0.284	C	S	.	.			trans	-160.8	145.2	-178.8	0	0	0	0	0	110.5	V368 Q375 D399 I401	V368-A370 PolarHBondContact O-N 2.97Å; A370-Q375 HydrophobicContact CB-CB 4.42Å; A370-Q375 HydrophobicContact CB-CG 4.45Å; A370-D399 PolarHBondContact N-O 2.71Å; A370-I401 HydrophobicContact CB-CB 4.22Å; A370-I401 HydrophobicContact CB-CD1 4.02Å; A370-I401 HydrophobicContact CB-CG1 4.23Å; A370-I401 WeakPolarHBondContact O-CD1 3.43Å
371	N	89.9	Confident	91.7	Very high	128 Å²	128	55.9 Å²	55.9	68%	0.684	28%	0.284	S	S	*	.	S	Bend	trans	-83.5	-14.2	178.1	-63.3	-51.7	0	0	0	112.9
372	S	91.2	Very high	90.6	Very high	45 Å²	45	61.9 Å²	61.9	32%	0.315	31%	0.309	S	S	.	.	S	Bend	trans	-156.5	158.1	-179.7	72	0	0	0	0	113	Q374 Q375 Y376 I401	S372-Q374 PolarHBondContact O-N 3.33Å; S372-Q375 PolarHBondContact O-N 2.83Å; S372-Q375 WeakPolarHBondContact OG-CB 3.49Å; S372-Q375 PolarHBondContact OG-N 2.83Å; S372-Q375 VanDerWaalsContact OG-N 3.1Å; S372-Y376 PolarHBondContact O-N 3.47Å; S372-I401 VanDerWaalsContact CA-CD1 3.45Å; S372-I401 WeakPolarHBondContact O-CD1 3.48Å
373	L	92.1	Very high	89.8	Confident	39 Å²	39	62.6 Å²	62.6	20%	0.204	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-31.3	173.8	-176.1	66.7	0	0	0	112	N330 Y376 K377 I401	N330-L373 WeakPolarHBondContact O-CD2 3.48Å; L373-Y376 HydrophobicContact CD1-CD1 4.18Å; L373-K377 HydrophobicContact CG-CD 4.24Å; L373-K377 HydrophobicContact CG-CG 4.44Å; L373-K377 WeakPolarHBondContact O-CB 3.33Å; L373-K377 VanDerWaalsContact O-CG 3.3Å; L373-K377 WeakPolarHBondContact O-CG 2.69Å; L373-K377 PolarHBondContact O-N 3.35Å; L373-I401 HydrophobicContact CD1-CG2 4.01Å
374	Q	93.2	Very high	89.3	Confident	130 Å²	130	63.6 Å²	63.6	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-63.3	-48.9	176	-178.5	173.9	6.9	0	0	110.6	S372 Y376 K377 Q378	S372-Q374 PolarHBondContact O-N 3.33Å; Q374-Y376 PolarHBondContact O-N 3.13Å; Q374-K377 PolarHBondContact O-N 3.36Å; Q374-Q378 WeakPolarHBondContact O-CG 3.38Å; Q374-Q378 PolarHBondContact O-N 3.44Å
375	Q	91.3	Very high	89.1	Confident	19 Å²	19	70.4 Å²	70.4	9%	0.089	36%	0.359	C	S	.	.	H	α-helix	trans	-60.3	-45.3	177.2	-173.3	178.3	35.9	0	0	111.8	A370 S372 K377 Q378 N379 D380	A370-Q375 HydrophobicContact CB-CB 4.42Å; A370-Q375 HydrophobicContact CB-CG 4.45Å; S372-Q375 PolarHBondContact O-N 2.83Å; S372-Q375 WeakPolarHBondContact OG-CB 3.49Å; S372-Q375 PolarHBondContact OG-N 2.83Å; S372-Q375 VanDerWaalsContact OG-N 3.1Å; Q375-K377 VanDerWaalsContact C-N 3.34Å; Q375-K377 PolarHBondContact O-N 3.22Å; Q375-Q378 PolarHBondContact O-N 2.95Å; Q375-N379 PolarHBondContact O-N 2.98Å; Q375-D380 VanDerWaalsContact CD-O 3.32Å; Q375-D380 HydrophobicContact CG-CB 3.87Å; Q375-D380 VanDerWaalsContact CG-O 3.26Å; Q375-D380 WeakPolarHBondContact CG-O 3.35Å; Q375-D380 PolarHBondContact NE2-O 3.11Å; Q375-D380 PolarHBondContact NE2-OD2 3.48Å; Q375-D380 PolarHBondContact O-N 2.9Å; Q375-D380 VanDerWaalsContact O-N 3.16Å
376	Y	91	Very high	88.9	Confident	40 Å²	40	70.9 Å²	70.9	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-53.1	-50.2	173.2	170.4	-82.9	0	0	0	111.6	V368 S372 L373 Q374 Q378 N379 I401 Q403	V368-Y376 HydrophobicContact CG2-CD2 3.28Å; V368-Y376 HydrophobicContact CG2-CE2 3.64Å; V368-Y376 HydrophobicContact CG2-CG 4.35Å; S372-Y376 PolarHBondContact O-N 3.47Å; L373-Y376 HydrophobicContact CD1-CD1 4.18Å; Q374-Y376 PolarHBondContact O-N 3.13Å; Y376-Q378 VanDerWaalsContact C-N 3.27Å; Y376-Q378 PolarHBondContact O-N 3.11Å; Y376-N379 PolarHBondContact O-N 3.24Å; Y376-N379 VanDerWaalsContact O-N 3.13Å; Y376-I401 HydrophobicContact CD2-CB 4.08Å; Y376-I401 HydrophobicContact CD2-CG2 3.88Å; Y376-I401 VanDerWaalsContact CD2-O 3.26Å; Y376-I401 WeakPolarHBondContact CD2-O 3.39Å; Y376-I401 VanDerWaalsContact CE2-O 3.29Å; Y376-I401 WeakPolarHBondContact CE2-O 3.46Å; Y376-I401 HydrophobicContact CG-CB 4.36Å; Y376-I401 HydrophobicContact CG-CG2 3.8Å; Y376-Q403 HydrophobicContact CD1-CG 4.34Å; Y376-Q403 HydrophobicContact CE1-CB 4.45Å; Y376-Q403 HydrophobicContact CE1-CG 3.56Å
377	K	91	Very high	89	Confident	125 Å²	125	73.2 Å²	73.2	54%	0.543	37%	0.371	S	S	.	.	H	α-helix	trans	-68	-26.8	-176.8	-76.2	177.4	177.8	177.6	0	113.1	L373 Q374 Q375	L373-K377 HydrophobicContact CG-CD 4.24Å; L373-K377 HydrophobicContact CG-CG 4.44Å; L373-K377 WeakPolarHBondContact O-CB 3.33Å; L373-K377 VanDerWaalsContact O-CG 3.3Å; L373-K377 WeakPolarHBondContact O-CG 2.69Å; L373-K377 PolarHBondContact O-N 3.35Å; Q374-K377 PolarHBondContact O-N 3.36Å; Q375-K377 VanDerWaalsContact C-N 3.34Å; Q375-K377 PolarHBondContact O-N 3.22Å
378	Q	91.8	Very high	89.1	Confident	121 Å²	121	73.2 Å²	73.2	57%	0.565	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	0.6	177	-70.9	173.1	-19.2	0	0	112.8	Q374 Q375 Y376 D380	Q374-Q378 WeakPolarHBondContact O-CG 3.38Å; Q374-Q378 PolarHBondContact O-N 3.44Å; Q375-Q378 PolarHBondContact O-N 2.95Å; Y376-Q378 VanDerWaalsContact C-N 3.27Å; Y376-Q378 PolarHBondContact O-N 3.11Å; Q378-D380 HydrophobicContact CB-CB 4.41Å; Q378-D380 PolarHBondContact O-N 2.86Å
379	N	86.3	Confident	89.3	Confident	151 Å²	151	71.9 Å²	71.9	81%	0.807	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	30	-173.3	-58.8	-52.7	0	0	0	113.4	Q375 Y376 G381	Q375-N379 PolarHBondContact O-N 2.98Å; Y376-N379 PolarHBondContact O-N 3.24Å; Y376-N379 VanDerWaalsContact O-N 3.13Å; N379-G381 VanDerWaalsContact C-N 3.32Å
380	D	82.6	Confident	89.3	Confident	73 Å²	73	71.3 Å²	71.3	39%	0.39	36%	0.358	S	S	.	.			trans	-98.6	29.3	-179.5	-176.1	51.7	0	0	0	111.4	Q375 Q378 F382	Q375-D380 VanDerWaalsContact CD-O 3.32Å; Q375-D380 HydrophobicContact CG-CB 3.87Å; Q375-D380 VanDerWaalsContact CG-O 3.26Å; Q375-D380 WeakPolarHBondContact CG-O 3.35Å; Q375-D380 PolarHBondContact NE2-O 3.11Å; Q375-D380 PolarHBondContact NE2-OD2 3.48Å; Q375-D380 PolarHBondContact O-N 2.9Å; Q375-D380 VanDerWaalsContact O-N 3.16Å; Q378-D380 HydrophobicContact CB-CB 4.41Å; Q378-D380 PolarHBondContact O-N 2.86Å; D380-F382 WeakPolarHBondContact OD1-CE1 3.41Å; D380-F382 WeakPolarHBondContact OD1-CZ 3.44Å
381	G	75.1	Confident	89.4	Confident	29 Å²	29	74.2 Å²	74.2	30%	0.299	37%	0.372	S	S	.	.			trans	-78.9	137.2	176.5	0	0	0	0	0	111.4	P369 N379 G383	P369-G381 WeakPolarHBondContact O-CA 3.49Å; N379-G381 VanDerWaalsContact C-N 3.32Å; G381-G383 PolarHBondContact O-N 3.35Å
382	F	71.4	Confident	89.7	Confident	154 Å²	154	68.3 Å²	68.3	68%	0.675	34%	0.341	S	S	*	.			trans	-100.1	31.9	-167.1	-60.4	-62.2	0	0	0	115.4	P369 D380	P369-F382 PolarHBondContact O-N 3.13Å; D380-F382 WeakPolarHBondContact OD1-CE1 3.41Å; D380-F382 WeakPolarHBondContact OD1-CZ 3.44Å
383	G	76.8	Confident	89.9	Confident	47 Å²	47	68.2 Å²	68.2	49%	0.485	34%	0.343	S	S	.	.	S	Bend	trans	-173.3	-170.7	-178.1	0	0	0	0	0	116.7	P369 G381 R385	P369-G383 VanDerWaalsContact CG-N 3.33Å; G381-G383 PolarHBondContact O-N 3.35Å; G383-R385 PolarHBondContact O-N 3.23Å
384	K	83.2	Confident	90.1	Very high	165 Å²	165	70.5 Å²	70.5	72%	0.717	35%	0.353	S	S	*	.			trans	-66.6	130.3	-170.8	-169.8	-179	176.1	-173.2	0	110.4	A386 Y400	K384-A386 PolarHBondContact O-N 2.98Å; K384-Y400 WeakPolarHBondContact O-CE1 3.3Å; K384-Y400 PolarHBondContact O-OH 3.28Å
385	R	90.9	Very high	90.1	Very high	144 Å²	144	70.4 Å²	70.4	54%	0.543	36%	0.356	S	S	.	.			trans	-56.9	132.6	168.1	-178.3	-175.3	-62.8	-96.3	-2	109.4	A367 G383	A367-R385 WeakPolarHBondContact O-CA 3.42Å; G383-R385 PolarHBondContact O-N 3.23Å
386	A	95	Very high	90.3	Very high	10 Å²	10	70.2 Å²	70.2	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	177.3	175.2	0	0	0	0	0	110.7	P366 A367 K384 L396 Y400	P366-A386 CarbonylContact C-O 3.48Å; P366-A386 WeakPolarHBondContact CA-O 3.4Å; A367-A386 PolarHBondContact N-O 3.04Å; A367-A386 PolarHBondContact O-N 3.22Å; K384-A386 PolarHBondContact O-N 2.98Å; A386-L396 HydrophobicContact CB-CD1 3.88Å; A386-L396 HydrophobicContact CB-CD2 3.47Å; A386-L396 VanDerWaalsContact CB-CD2 3.47Å; A386-L396 HydrophobicContact CB-CG 4.36Å; A386-Y400 HydrophobicContact CB-CD1 3.98Å; A386-Y400 HydrophobicContact CB-CE1 3.55Å
387	Y	97.1	Very high	90.5	Very high	57 Å²	57	75.5 Å²	75.5	22%	0.224	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.6	175.2	-58.9	-79.2	0	0	0	108.9	R363 F365 P366 T392	R363-Y387 HydrophobicContact CB-CD1 3.63Å; R363-Y387 HydrophobicContact CB-CD2 4.48Å; R363-Y387 HydrophobicContact CB-CE1 3.59Å; R363-Y387 HydrophobicContact CB-CE2 4.46Å; R363-Y387 HydrophobicContact CB-CG 4.09Å; R363-Y387 HydrophobicContact CG-CD1 3.96Å; R363-Y387 HydrophobicContact CG-CD2 3.89Å; R363-Y387 HydrophobicContact CG-CE1 3.98Å; R363-Y387 HydrophobicContact CG-CE2 3.93Å; R363-Y387 HydrophobicContact CG-CG 3.9Å; R363-Y387 WeakPolarHBondContact O-CD1 3.11Å; F365-Y387 WeakPolarHBondContact O-CA 3.42Å; P366-Y387 HydrophobicContact CB-CD1 4.31Å; P366-Y387 HydrophobicContact CB-CE1 4.19Å; Y387-T392 VanDerWaalsContact O-CA 3.31Å; Y387-T392 WeakPolarHBondContact O-CA 3.48Å; Y387-T392 PolarHBondContact O-OG1 3.38Å
388	M	98.2	Very high	90.7	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.372	C	S	.	.			trans	-73.3	134.9	173.4	-180	-171.4	78.5	0	0	109.7	I309 F327 P329 Y352 F365 L402	I309-M388 HydrophobicContact CB-SD 4.36Å; I309-M388 HydrophobicContact CD1-CE 4.21Å; I309-M388 HydrophobicContact CD1-CG 3.67Å; I309-M388 HydrophobicContact CD1-SD 3.85Å; I309-M388 HydrophobicContact CG1-CG 3.82Å; I309-M388 HydrophobicContact CG1-SD 3.86Å; I309-M388 HydrophobicContact CG2-CE 4.36Å; I309-M388 HydrophobicContact CG2-SD 3.67Å; F327-M388 HydrophobicContact CB-CB 4.4Å; F327-M388 HydrophobicContact CB-CG 3.76Å; F327-M388 HydrophobicContact CB-SD 3.64Å; F327-M388 HydrophobicContact CD1-CB 3.59Å; F327-M388 HydrophobicContact CD1-CG 3.86Å; F327-M388 HydrophobicContact CD2-CB 4.23Å; F327-M388 HydrophobicContact CD2-CG 3.76Å; F327-M388 HydrophobicContact CE1-CB 3.8Å; F327-M388 HydrophobicContact CE1-CG 4.39Å; F327-M388 HydrophobicContact CE2-CB 4.39Å; F327-M388 HydrophobicContact CE2-CG 4.28Å; F327-M388 HydrophobicContact CG-CB 3.82Å; F327-M388 HydrophobicContact CG-CG 3.52Å; F327-M388 HydrophobicContact CG-SD 4.09Å; F327-M388 HydrophobicContact CZ-CB 4.2Å; P329-M388 HydrophobicContact CG-CE 4.16Å; P329-M388 HydrophobicContact CG-SD 3.71Å; Y352-M388 HydrophobicContact CD2-CE 4.14Å; Y352-M388 HydrophobicContact CG-CE 4.27Å; F365-M388 HydrophobicContact CB-CB 3.9Å; F365-M388 HydrophobicContact CB-CE 3.94Å; F365-M388 HydrophobicContact CD1-CE 3.58Å; F365-M388 HydrophobicContact CD2-CE 4.38Å; F365-M388 HydrophobicContact CE1-CE 4.17Å; F365-M388 HydrophobicContact CG-CE 3.71Å; F365-M388 PolarHBondContact O-N 3.13Å; M388-L402 HydrophobicContact CB-CD1 4.05Å; M388-L402 HydrophobicContact CE-CD1 3.85Å; M388-L402 HydrophobicContact SD-CD1 3.87Å; M388-L402 HydrophobicContact SD-CD2 4.02Å
389	G	98	Very high	90.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	114.4	-140.4	172.4	0	0	0	0	0	112.9	R278 S356 D391 T392	R278-G389 PolarHBondContact NH2-O 3.49Å; S356-G389 WeakPolarHBondContact OG-CA 3.49Å; G389-D391 VanDerWaalsContact C-N 3.32Å; G389-D391 PolarHBondContact O-N 3.38Å; G389-T392 PolarHBondContact N-OG1 3.5Å; G389-T392 WeakPolarHBondContact O-CB 3.3Å; G389-T392 PolarHBondContact O-N 3.31Å; G389-T392 PolarHBondContact O-OG1 2.99Å
390	I	96.3	Very high	91.4	Very high	15 Å²	15	60.1 Å²	60.1	8%	0.077	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.7	-170.1	-161.1	57	0	0	0	113.6	R278 F353 S356 V357 E362 T392	R278-I390 PolarHBondContact NH1-O 3.36Å; F353-I390 HydrophobicContact CE1-CD1 4.38Å; F353-I390 HydrophobicContact CZ-CD1 4.09Å; S356-I390 WeakPolarHBondContact O-CG2 3.32Å; S356-I390 PolarHBondContact OG-N 3.05Å; V357-I390 HydrophobicContact CG2-CB 4.09Å; V357-I390 HydrophobicContact CG2-CD1 4.22Å; V357-I390 HydrophobicContact CG2-CG1 4.24Å; E362-I390 HydrophobicContact CB-CG2 4.29Å; E362-I390 HydrophobicContact CG-CG2 4Å; I390-T392 VanDerWaalsContact C-N 3.32Å; I390-T392 PolarHBondContact O-N 2.98Å
391	D	94.6	Very high	92	Very high	66 Å²	66	56.8 Å²	56.8	35%	0.353	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.2	-178.4	-155.6	41.4	0	0	0	113.1	E362 R363 G389 A393	E362-D391 HydrophobicContact CB-CB 3.96Å; E362-D391 WeakPolarHBondContact O-CB 3.43Å; R363-D391 WeakPolarHBondContact CG-OD2 3.24Å; R363-D391 IonicContact CZ-OD2 2.68Å; R363-D391 IonicContact NE-OD2 3.54Å; R363-D391 PolarHBondContact NE-OD2 3.11Å; R363-D391 VanDerWaalsContact NE-OD2 3.11Å; R363-D391 IonicContact NH2-OD2 3.38Å; G389-D391 VanDerWaalsContact C-N 3.32Å; G389-D391 PolarHBondContact O-N 3.38Å; D391-A393 PolarHBondContact O-N 3.1Å
392	T	97.1	Very high	93.1	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.025	28%	0.284	C	S	.	.			trans	-61	128.6	171.9	-61.2	0	0	0	0	109.7	F305 V325 F327 Y387 G389 I390 L396	F305-T392 HydrophobicContact CE1-CG2 3.96Å; F305-T392 HydrophobicContact CZ-CG2 3.65Å; V325-T392 HydrophobicContact CG1-CG2 4.06Å; F327-T392 HydrophobicContact CE2-CG2 3.87Å; F327-T392 HydrophobicContact CZ-CG2 3.79Å; Y387-T392 VanDerWaalsContact O-CA 3.31Å; Y387-T392 WeakPolarHBondContact O-CA 3.48Å; Y387-T392 PolarHBondContact O-OG1 3.38Å; G389-T392 PolarHBondContact N-OG1 3.5Å; G389-T392 WeakPolarHBondContact O-CB 3.3Å; G389-T392 PolarHBondContact O-N 3.31Å; G389-T392 PolarHBondContact O-OG1 2.99Å; I390-T392 VanDerWaalsContact C-N 3.32Å; I390-T392 PolarHBondContact O-N 2.98Å; T392-L396 HydrophobicContact CG2-CD2 3.85Å
393	A	95.8	Very high	94.2	Very high	43 Å²	43	50.6 Å²	50.6	36%	0.355	26%	0.264	S	S	.	.			trans	-70.1	136.5	178.2	0	0	0	0	0	110.8	F305 D391 D395 L396	F305-A393 WeakPolarHBondContact CZ-O 3.45Å; D391-A393 PolarHBondContact O-N 3.1Å; A393-D395 VanDerWaalsContact CB-OD1 3.3Å; A393-D395 WeakPolarHBondContact CB-OD1 3.15Å; A393-D395 PolarHBondContact O-N 3.32Å; A393-L396 WeakPolarHBondContact O-CB 3.37Å; A393-L396 PolarHBondContact O-N 3.48Å
394	H	95	Very high	95.2	Very high	88 Å²	88	48.4 Å²	48.4	41%	0.407	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-9.8	-175.7	-66.8	65.3	0	0	0	114.6	R277 F305	R277-H394 PolarHBondContact NH1-NE2 2.85Å; F305-H394 HydrophobicContact CB-CB 4.3Å; F305-H394 HydrophobicContact CD1-CB 4.39Å; F305-H394 AromaticContact CD1-CD2 3.79Å; F305-H394 HydrophobicContact CD2-CB 4.42Å; F305-H394 WeakPolarHBondContact CD2-O 3.45Å; F305-H394 HydrophobicContact CG-CB 4.12Å; F305-H394 AromaticContact CG-CD2 3.93Å
395	D	94.4	Very high	95.9	Very high	127 Å²	127	42.6 Å²	42.6	68%	0.679	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	7.2	174.4	66.6	-26.3	0	0	0	112.7	A393	A393-D395 VanDerWaalsContact CB-OD1 3.3Å; A393-D395 WeakPolarHBondContact CB-OD1 3.15Å; A393-D395 PolarHBondContact O-N 3.32Å
396	L	95.3	Very high	96.2	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.084	21%	0.212	C	C	.	.			trans	-79.4	133.6	-176.8	-162.3	68.1	0	0	0	110.9	V325 F327 A386 T392 A393 Y400	V325-L396 HydrophobicContact CB-CB 4.4Å; V325-L396 HydrophobicContact CB-CD2 4.31Å; V325-L396 HydrophobicContact CB-CG 4.26Å; V325-L396 HydrophobicContact CG1-CB 4.44Å; V325-L396 HydrophobicContact CG1-CD2 4.32Å; V325-L396 HydrophobicContact CG2-CD2 3.75Å; V325-L396 HydrophobicContact CG2-CG 3.97Å; F327-L396 HydrophobicContact CE1-CD2 4.31Å; F327-L396 HydrophobicContact CZ-CD2 3.72Å; A386-L396 HydrophobicContact CB-CD1 3.88Å; A386-L396 HydrophobicContact CB-CD2 3.47Å; A386-L396 VanDerWaalsContact CB-CD2 3.47Å; A386-L396 HydrophobicContact CB-CG 4.36Å; T392-L396 HydrophobicContact CG2-CD2 3.85Å; A393-L396 WeakPolarHBondContact O-CB 3.37Å; A393-L396 PolarHBondContact O-N 3.48Å; L396-Y400 HydrophobicContact CD1-CE1 4.17Å; L396-Y400 HydrophobicContact CD1-CE2 3.86Å; L396-Y400 VanDerWaalsContact CD1-CZ 3.46Å; L396-Y400 WeakPolarHBondContact CD1-OH 3.35Å; L396-Y400 HydrophobicContact CD2-CD2 4.44Å; L396-Y400 HydrophobicContact CD2-CE1 4.43Å; L396-Y400 HydrophobicContact CD2-CE2 4.16Å; L396-Y400 HydrophobicContact CG-CE2 3.84Å
397	E	95.4	Very high	96.2	Very high	151 Å²	151	46.4 Å²	46.4	71%	0.706	24%	0.243	S	C	*	.			trans	-133.1	149.5	179.5	-65	-176.7	-173.3	0	0	112.7	D324 Y400	D324-E397 CarbonylContact O-C 3.44Å; D324-E397 WeakPolarHBondContact O-CA 3.22Å; E397-Y400 WeakPolarHBondContact O-CE2 3.46Å
398	G	94.9	Very high	96	Very high	32 Å²	32	46.8 Å²	46.8	33%	0.33	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	95.5	-162.3	169.6	0	0	0	0	0	115.2	D324 V325 D326	D324-G398 PolarHBondContact O-N 2.96Å; V325-G398 WeakPolarHBondContact CA-O 3.34Å; V325-G398 WeakPolarHBondContact CG2-O 3.31Å; D326-G398 PolarHBondContact N-O 2.87Å
399	D	95.4	Very high	95.8	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.15	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.5	-174.8	-62.8	-29.5	0	0	0	111.5	R321 D326 Y328 P369 A370	R321-D399 WeakPolarHBondContact CD-OD1 3.38Å; R321-D399 IonicContact CZ-OD1 3.83Å; R321-D399 IonicContact CZ-OD2 3.11Å; R321-D399 VanDerWaalsContact NE-CG 3.35Å; R321-D399 IonicContact NE-OD1 2.84Å; R321-D399 PolarHBondContact NE-OD1 2.78Å; R321-D399 IonicContact NE-OD2 3.91Å; R321-D399 PolarHBondContact NE-OD2 3.33Å; R321-D399 IonicContact NH2-OD2 2.98Å; R321-D399 PolarHBondContact NH2-OD2 2.97Å; D326-D399 WeakPolarHBondContact O-CA 3.41Å; Y328-D399 HydrophobicContact CD2-CB 4.46Å; Y328-D399 HydrophobicContact CE2-CB 4.06Å; P369-D399 WeakPolarHBondContact CA-O 3.37Å; A370-D399 PolarHBondContact N-O 2.71Å
400	Y	96.9	Very high	95.8	Very high	14 Å²	14	49 Å²	49	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136	-180	-84.6	-104.5	0	0	0	111.5	V325 D326 F327 Y328 A367 P369 K384 A386 L396 E397	V325-Y400 HydrophobicContact CG2-CD2 3.57Å; V325-Y400 HydrophobicContact CG2-CE2 4.12Å; V325-Y400 HydrophobicContact CG2-CG 4.29Å; D326-Y400 PolarHBondContact O-N 2.92Å; F327-Y400 CarbonylContact C-O 3.58Å; F327-Y400 WeakPolarHBondContact CA-O 3.37Å; F327-Y400 VanDerWaalsContact CD1-CB 3.41Å; F327-Y400 HydrophobicContact CD1-CG 4.24Å; F327-Y400 HydrophobicContact CE1-CD1 4.25Å; F327-Y400 AromaticContact CE1-CG 3.96Å; F327-Y400 HydrophobicContact CE1-CG 3.96Å; Y328-Y400 PolarHBondContact N-O 3.3Å; A367-Y400 HydrophobicContact CB-CD1 3.92Å; A367-Y400 HydrophobicContact CB-CG 4.47Å; P369-Y400 HydrophobicContact CB-CE1 4.22Å; P369-Y400 HydrophobicContact CB-CE2 4.19Å; P369-Y400 HydrophobicContact CG-CE1 4.29Å; K384-Y400 WeakPolarHBondContact O-CE1 3.3Å; K384-Y400 PolarHBondContact O-OH 3.28Å; A386-Y400 HydrophobicContact CB-CD1 3.98Å; A386-Y400 HydrophobicContact CB-CE1 3.55Å; L396-Y400 HydrophobicContact CD1-CE1 4.17Å; L396-Y400 HydrophobicContact CD1-CE2 3.86Å; L396-Y400 VanDerWaalsContact CD1-CZ 3.46Å; L396-Y400 WeakPolarHBondContact CD1-OH 3.35Å; L396-Y400 HydrophobicContact CD2-CD2 4.44Å; L396-Y400 HydrophobicContact CD2-CE1 4.43Å; L396-Y400 HydrophobicContact CD2-CE2 4.16Å; L396-Y400 HydrophobicContact CG-CE2 3.84Å; E397-Y400 WeakPolarHBondContact O-CE2 3.46Å
401	I	96.3	Very high	95.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.7	177.8	-59.6	-177	0	0	0	109.5	A367 V368 A370 S372 L373 Y376	A367-I401 WeakPolarHBondContact CA-O 3.48Å; V368-I401 PolarHBondContact N-O 3.25Å; V368-I401 PolarHBondContact O-N 2.9Å; A370-I401 HydrophobicContact CB-CB 4.22Å; A370-I401 HydrophobicContact CB-CD1 4.02Å; A370-I401 HydrophobicContact CB-CG1 4.23Å; A370-I401 WeakPolarHBondContact O-CD1 3.43Å; S372-I401 VanDerWaalsContact CA-CD1 3.45Å; S372-I401 WeakPolarHBondContact O-CD1 3.48Å; L373-I401 HydrophobicContact CD1-CG2 4.01Å; Y376-I401 HydrophobicContact CD2-CB 4.08Å; Y376-I401 HydrophobicContact CD2-CG2 3.88Å; Y376-I401 VanDerWaalsContact CD2-O 3.26Å; Y376-I401 WeakPolarHBondContact CD2-O 3.39Å; Y376-I401 VanDerWaalsContact CE2-O 3.29Å; Y376-I401 WeakPolarHBondContact CE2-O 3.46Å; Y376-I401 HydrophobicContact CG-CB 4.36Å; Y376-I401 HydrophobicContact CG-CG2 3.8Å
402	L	96.5	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169	178.7	64.1	167.9	0	0	0	110.6	F327 P329 N330 F365 P366 A367 M388 V404	F327-L402 HydrophobicContact CB-CD2 4.37Å; P329-L402 HydrophobicContact CB-CD2 4.16Å; P329-L402 HydrophobicContact CB-CG 4.34Å; P329-L402 HydrophobicContact CG-CD2 3.87Å; P329-L402 HydrophobicContact CG-CG 4.4Å; N330-L402 WeakPolarHBondContact CA-O 3.16Å; N330-L402 PolarHBondContact N-O 3.38Å; F365-L402 HydrophobicContact CB-CD1 3.73Å; F365-L402 HydrophobicContact CD1-CD1 4.14Å; F365-L402 HydrophobicContact CG-CD1 4.42Å; P366-L402 WeakPolarHBondContact O-CB 2.93Å; A367-L402 HydrophobicContact CB-CB 3.89Å; A367-L402 HydrophobicContact CB-CD2 4.28Å; A367-L402 HydrophobicContact CB-CG 4.47Å; M388-L402 HydrophobicContact CB-CD1 4.05Å; M388-L402 HydrophobicContact CE-CD1 3.85Å; M388-L402 HydrophobicContact SD-CD1 3.87Å; M388-L402 HydrophobicContact SD-CD2 4.02Å; L402-V404 HydrophobicContact CD1-CG1 4.42Å
403	Q	96	Very high	95.1	Very high	53 Å²	53	55.4 Å²	55.4	25%	0.248	29%	0.292	C	S	.	.			trans	-110.9	145.3	167.6	-74.2	179.3	-41.9	0	0	110.7	Y376 R412	Y376-Q403 HydrophobicContact CD1-CG 4.34Å; Y376-Q403 HydrophobicContact CE1-CB 4.45Å; Y376-Q403 HydrophobicContact CE1-CG 3.56Å; Q403-R412 WeakPolarHBondContact O-CG 3.33Å
404	V	97.4	Very high	94	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	29%	0.285	C	S	.	.			trans	-122.6	167.5	173.1	-56.7	0	0	0	0	111	P329 N330 Y352 F365 L402 F410 R412	P329-V404 HydrophobicContact CB-CG1 3.96Å; N330-V404 WeakPolarHBondContact OD1-CG2 3.5Å; N330-V404 PolarHBondContact OD1-N 3Å; Y352-V404 HydrophobicContact CE1-CB 4.43Å; Y352-V404 HydrophobicContact CE1-CG2 4.33Å; Y352-V404 HydrophobicContact CE2-CG1 4.15Å; Y352-V404 HydrophobicContact CE2-CG2 4.21Å; Y352-V404 WeakPolarHBondContact OH-CG2 3.42Å; F365-V404 HydrophobicContact CD1-CG1 4.02Å; F365-V404 HydrophobicContact CE1-CG1 4.08Å; L402-V404 HydrophobicContact CD1-CG1 4.42Å; V404-F410 CarbonylContact C-O 3.6Å; V404-F410 WeakPolarHBondContact CA-O 3.12Å; V404-F410 WeakPolarHBondContact CB-O 3.36Å; V404-R412 PolarHBondContact O-NH2 2.74Å
405	N	97.3	Very high	92.9	Very high	43 Å²	43	52.3 Å²	52.3	23%	0.23	28%	0.279	C	S	.	.			trans	-86.9	152.8	169.5	-61	-35.4	0	0	0	110.3	K407 P409 F410 G411 R412	N405-K407 VanDerWaalsContact C-N 3.29Å; N405-K407 WeakPolarHBondContact CB-O 3.47Å; N405-K407 PolarHBondContact O-N 3.5Å; N405-P409 WeakPolarHBondContact CB-O 3.49Å; N405-P409 PolarHBondContact ND2-O 2.99Å; N405-F410 PolarHBondContact N-O 3.43Å; N405-F410 WeakPolarHBondContact O-CD1 3.19Å; N405-G411 PolarHBondContact ND2-O 2.96Å; N405-R412 WeakPolarHBondContact OD1-CD 3.32Å; N405-R412 VanDerWaalsContact OD1-CZ 3.32Å; N405-R412 PolarHBondContact OD1-NE 2.89Å; N405-R412 VanDerWaalsContact OD1-NE 3.16Å
406	P	96.6	Very high	90.9	Very high	65 Å²	65	50.9 Å²	50.9	42%	0.422	28%	0.284	S	S	.	.	S	Bend	trans	-71.3	-23.4	177.6	27.5	-34.6	0	0	0	113.8	P337 R348	P337-P406 HydrophobicContact CB-CB 4.11Å; P337-P406 WeakPolarHBondContact O-CA 3.42Å; R348-P406 PolarHBondContact NH1-O 2.74Å; R348-P406 PolarHBondContact NH2-O 3.21Å
407	K	95	Very high	88.8	Confident	169 Å²	169	54.4 Å²	54.4	74%	0.735	30%	0.3	S	S	*	.	S	Bend	trans	-125.2	159.6	179.2	-66.4	-176.5	-178.8	178.3	0	109.9	N405 P409 F410	N405-K407 VanDerWaalsContact C-N 3.29Å; N405-K407 WeakPolarHBondContact CB-O 3.47Å; N405-K407 PolarHBondContact O-N 3.5Å; K407-P409 CarbonylContact O-C 3.27Å; K407-P409 VanDerWaalsContact O-C 3.27Å; K407-F410 VanDerWaalsContact O-CD1 3.31Å; K407-F410 WeakPolarHBondContact O-CD1 3.4Å
408	S	93.3	Very high	86	Confident	65 Å²	65	57 Å²	57	46%	0.455	31%	0.309	S	S	.	.	S	Bend	trans	-67.7	142.4	175.7	-168.9	0	0	0	0	109.7
409	P	95.1	Very high	83.1	Confident	42 Å²	42	64.3 Å²	64.3	27%	0.273	34%	0.335	S	S	.	.	S	Bend	cis	-65.4	130.6	-8.7	28.1	-33.9	0	0	0	111.9	N405 K407 A414	N405-P409 WeakPolarHBondContact CB-O 3.49Å; N405-P409 PolarHBondContact ND2-O 2.99Å; K407-P409 CarbonylContact O-C 3.27Å; K407-P409 VanDerWaalsContact O-C 3.27Å; P409-A414 HydrophobicContact CB-CB 3.48Å; P409-A414 VanDerWaalsContact CB-CB 3.48Å; P409-A414 HydrophobicContact CG-CB 4.07Å
410	F	97	Very high	80.3	Confident	4 Å²	4	68 Å²	68	2%	0.018	36%	0.363	C	S	.	.			trans	-78.7	-34.8	-175.4	-61.2	-58.1	0	0	0	112.5	R351 Y352 E355 F365 V404 N405 K407	R351-F410 HydrophobicContact CB-CE2 3.99Å; R351-F410 VanDerWaalsContact NH2-CZ 3.3Å; Y352-F410 HydrophobicContact CD1-CB 3.51Å; Y352-F410 HydrophobicContact CD1-CD1 4.45Å; Y352-F410 AromaticContact CD1-CD2 3.68Å; Y352-F410 HydrophobicContact CD1-CD2 3.68Å; Y352-F410 AromaticContact CD1-CG 3.63Å; Y352-F410 HydrophobicContact CD1-CG 3.63Å; Y352-F410 HydrophobicContact CE1-CB 3.46Å; Y352-F410 VanDerWaalsContact CE1-CB 3.46Å; Y352-F410 AromaticContact CE1-CD1 3.8Å; Y352-F410 HydrophobicContact CE1-CD1 3.8Å; Y352-F410 AromaticContact CE1-CD2 3.84Å; Y352-F410 HydrophobicContact CE1-CD2 3.84Å; Y352-F410 AromaticContact CE1-CG 3.41Å; Y352-F410 HydrophobicContact CE1-CG 3.41Å; Y352-F410 VanDerWaalsContact CE1-CG 3.41Å; E355-F410 VanDerWaalsContact CD-N 3.28Å; E355-F410 PolarHBondContact OE1-N 2.76Å; E355-F410 WeakPolarHBondContact OE2-CB 3.44Å; E355-F410 WeakPolarHBondContact OE2-CD2 3.39Å; E355-F410 PolarHBondContact OE2-N 3.26Å; F365-F410 HydrophobicContact CE1-CB 3.89Å; F365-F410 HydrophobicContact CZ-CB 3.98Å; V404-F410 CarbonylContact C-O 3.6Å; V404-F410 WeakPolarHBondContact CA-O 3.12Å; V404-F410 WeakPolarHBondContact CB-O 3.36Å; N405-F410 PolarHBondContact N-O 3.43Å; N405-F410 WeakPolarHBondContact O-CD1 3.19Å; K407-F410 VanDerWaalsContact O-CD1 3.31Å; K407-F410 WeakPolarHBondContact O-CD1 3.4Å
411	G	95.1	Very high	77.2	Confident	2 Å²	2	71.8 Å²	71.8	2%	0.021	39%	0.392	C	S	.	.	S	Bend	trans	-66.9	140.2	177.9	0	0	0	0	0	111.4	E355 S364 N405 N413	E355-G411 PolarHBondContact OE1-N 3.4Å; S364-G411 CarbonylContact O-C 3.59Å; S364-G411 VanDerWaalsContact O-C 3.26Å; S364-G411 WeakPolarHBondContact O-CA 3.25Å; N405-G411 PolarHBondContact ND2-O 2.96Å; G411-N413 VanDerWaalsContact C-N 3.25Å; G411-N413 PolarHBondContact O-N 3.17Å
412	R	92	Very high	74.2	Confident	131 Å²	131	82.3 Å²	82.3	49%	0.494	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.9	177.8	-71.2	-73.1	-178.3	157.3	-4.4	113.1	S364 Q403 V404 N405	S364-R412 PolarHBondContact O-N 3.25Å; Q403-R412 WeakPolarHBondContact O-CG 3.33Å; V404-R412 PolarHBondContact O-NH2 2.74Å; N405-R412 WeakPolarHBondContact OD1-CD 3.32Å; N405-R412 VanDerWaalsContact OD1-CZ 3.32Å; N405-R412 PolarHBondContact OD1-NE 2.89Å; N405-R412 VanDerWaalsContact OD1-NE 3.16Å
413	N	87	Confident	71.3	Confident	86 Å²	86	90.3 Å²	90.3	46%	0.46	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	27.4	178.6	-69.1	1.2	0	0	0	111.9	S364 G411	S364-N413 PolarHBondContact O-N 3.42Å; S364-N413 VanDerWaalsContact O-N 3.08Å; G411-N413 VanDerWaalsContact C-N 3.25Å; G411-N413 PolarHBondContact O-N 3.17Å
414	A	72.7	Confident	68.5	Low	24 Å²	24	89.9 Å²	89.9	20%	0.198	48%	0.48	C	S	.	.			trans	-63.8	136.3	171.6	0	0	0	0	0	109.8	S364 P409 A416	S364-A414 WeakPolarHBondContact OG-CA 3.38Å; P409-A414 HydrophobicContact CB-CB 3.48Å; P409-A414 VanDerWaalsContact CB-CB 3.48Å; P409-A414 HydrophobicContact CG-CB 4.07Å; A414-A416 PolarHBondContact O-N 3.41Å
415	P	71.1	Confident	65.6	Low	43 Å²	43	96.3 Å²	96.3	28%	0.279	52%	0.519	S	S	.	.			trans	-51.1	139.9	172.8	-23.6	32.2	0	0	0	110.6	G360 N361 Q417	G360-P415 VanDerWaalsContact O-CG 3.24Å; G360-P415 WeakPolarHBondContact O-CG 3.4Å; N361-P415 VanDerWaalsContact OD1-CD 3.22Å; N361-P415 WeakPolarHBondContact OD1-CD 3.29Å; P415-Q417 PolarHBondContact O-N 3.07Å
416	A	53	Low	62.7	Low	96 Å²	96	102.9 Å²	102.9	79%	0.793	55%	0.547	S	S	*	.			trans	-63.4	110.3	178.6	0	0	0	0	0	109.4	A414 K418	A414-A416 PolarHBondContact O-N 3.41Å; A416-K418 PolarHBondContact O-N 2.81Å
417	Q	50.7	Low	60	Low	90 Å²	90	107.9 Å²	107.9	42%	0.421	57%	0.565	S	S	.	*			trans	-63.1	119.3	167.6	-74.1	164.6	-24.9	0	0	107.6	E188 P415 Q419	E188-Q417 VanDerWaalsContact CD-NE2 3.26Å; E188-Q417 PolarHBondContact OE1-NE2 2.98Å; E188-Q417 WeakPolarHBondContact OE2-CG 3.49Å; E188-Q417 PolarHBondContact OE2-NE2 3.19Å; P415-Q417 PolarHBondContact O-N 3.07Å; Q417-Q419 PolarHBondContact O-N 3.06Å
418	K	37.8	Very low	57.1	Low	205 Å²	205	103.9 Å²	103.9	89%	0.891	56%	0.563	S	S	*	*			trans	-60.9	110.5	167.3	-83.2	-174.9	178.4	178.9	0	107.1	A416 S420	A416-K418 PolarHBondContact O-N 2.81Å; K418-S420 VanDerWaalsContact C-N 3.35Å; K418-S420 PolarHBondContact O-N 3.37Å
419	Q	32.9	Very low	54.4	Low	187 Å²	187	112 Å²	112	87%	0.874	58%	0.584	S	S	*	*			trans	-61.5	104.5	160.2	-77.8	-174	-33.2	0	0	106.5	Q417 S421	Q417-Q419 PolarHBondContact O-N 3.06Å; Q419-S421 PolarHBondContact O-N 3.22Å
420	S	36.5	Very low	51.7	Low	104 Å²	104	116.5 Å²	116.5	73%	0.727	61%	0.606	S	S	*	*			trans	-61.8	99	158.3	47.8	0	0	0	0	106	K418 Y422	K418-S420 VanDerWaalsContact C-N 3.35Å; K418-S420 PolarHBondContact O-N 3.37Å; S420-Y422 PolarHBondContact O-N 2.99Å
421	S	32.4	Very low	48.8	Very low	95 Å²	95	121.7 Å²	121.7	66%	0.664	64%	0.639	S	S	*	*			trans	-54.5	111.3	165.3	35.6	0	0	0	0	106.4	Q419 H423	Q419-S421 PolarHBondContact O-N 3.22Å; S421-H423 PolarHBondContact O-N 3.09Å
422	Y	33.5	Very low	46.1	Very low	223 Å²	223	127.8 Å²	127.8	88%	0.875	67%	0.67	S	S	*	*			trans	-70	70.3	171	-142.6	-88.1	0	0	0	106.9	S420 G424	S420-Y422 PolarHBondContact O-N 2.99Å; Y422-G424 VanDerWaalsContact C-N 3.34Å; Y422-G424 PolarHBondContact O-N 3.22Å; Y422-G424 VanDerWaalsContact O-N 3.09Å
423	H	35.8	Very low	43.3	Very low	169 Å²	169	129.8 Å²	129.8	78%	0.782	69%	0.685	S	S	*	*			trans	-70.7	102.5	161.7	-101.4	-61.8	0	0	0	105.5	S421 V425	S421-H423 PolarHBondContact O-N 3.09Å; H423-V425 PolarHBondContact O-N 2.8Å
424	G	36.7	Very low	41.1	Very low	44 Å²	44	132.8 Å²	132.8	45%	0.454	70%	0.701	S	S	.	*			trans	-45.5	127.4	173.7	0	0	0	0	0	109.3	Y422 H426	Y422-G424 VanDerWaalsContact C-N 3.34Å; Y422-G424 PolarHBondContact O-N 3.22Å; Y422-G424 VanDerWaalsContact O-N 3.09Å; G424-H426 PolarHBondContact O-N 3.09Å
425	V	36.1	Very low	39.4	Very low	136 Å²	136	136.1 Å²	136.1	82%	0.824	72%	0.723	S	S	*	*			trans	-59.5	94	161.5	-179.4	0	0	0	0	105.2	H423 Q427	H423-V425 PolarHBondContact O-N 2.8Å; V425-Q427 VanDerWaalsContact C-N 3.29Å; V425-Q427 PolarHBondContact O-N 2.98Å
426	H	36.9	Very low	38	Very low	180 Å²	180	143.1 Å²	143.1	83%	0.833	75%	0.75	S	S	*	*			trans	-60.5	103.5	158	-86.4	-89.2	0	0	0	105	G424 A428	G424-H426 PolarHBondContact O-N 3.09Å; H426-A428 PolarHBondContact O-N 3.1Å
427	Q	38.8	Very low	37.3	Very low	170 Å²	170	144.3 Å²	144.3	79%	0.794	74%	0.743	S	S	*	*			trans	-56	113.2	160	-86.2	-176.1	-31.5	0	0	106.1	V425 W429	V425-Q427 VanDerWaalsContact C-N 3.29Å; V425-Q427 PolarHBondContact O-N 2.98Å; Q427-W429 PolarHBondContact O-N 3.01Å; Q427-W429 VanDerWaalsContact O-N 3.1Å
428	A	35.3	Very low	36.7	Very low	85 Å²	85	150 Å²	150	70%	0.702	76%	0.761	S	S	*	*			trans	-55.1	118.6	167.3	0	0	0	0	0	106.8	H426 N430	H426-A428 PolarHBondContact O-N 3.1Å; A428-N430 VanDerWaalsContact C-N 3.25Å; A428-N430 PolarHBondContact O-N 2.85Å
429	W	35.2	Very low	37	Very low	235 Å²	235	152.7 Å²	152.7	89%	0.89	78%	0.777	S	S	*	*			trans	-60.5	95.3	165.5	-90.6	67.5	0	0	0	107.2	Q427 T431	Q427-W429 PolarHBondContact O-N 3.01Å; Q427-W429 VanDerWaalsContact O-N 3.1Å; W429-T431 VanDerWaalsContact C-N 3.27Å; W429-T431 PolarHBondContact O-N 2.96Å
430	N	39.4	Very low	37.2	Very low	137 Å²	137	151 Å²	151	73%	0.733	77%	0.772	S	S	*	*			trans	-71.5	91.5	163.5	-96.9	-4.9	0	0	0	107.2	A428 N432	A428-N430 VanDerWaalsContact C-N 3.25Å; A428-N430 PolarHBondContact O-N 2.85Å; N430-N432 PolarHBondContact O-N 3.01Å
431	T	35	Very low	37.2	Very low	114 Å²	114	153.4 Å²	153.4	70%	0.699	78%	0.775	S	S	*	*			trans	-64.8	83.6	153.1	37.7	0	0	0	0	107.9	W429 Q433	W429-T431 VanDerWaalsContact C-N 3.27Å; W429-T431 PolarHBondContact O-N 2.96Å; T431-Q433 VanDerWaalsContact C-N 3.31Å; T431-Q433 PolarHBondContact O-N 3.11Å; T431-Q433 VanDerWaalsContact O-N 3.11Å
432	N	38.9	Very low	37.5	Very low	129 Å²	129	156.7 Å²	156.7	69%	0.69	78%	0.781	S	S	*	*			trans	-73.5	96.2	158.3	-90.5	-0.9	0	0	0	107.2	N430 D434	N430-N432 PolarHBondContact O-N 3.01Å; N432-D434 PolarHBondContact O-N 3.03Å
433	Q	34.2	Very low	37.7	Very low	173 Å²	173	152.8 Å²	152.8	81%	0.808	78%	0.775	S	S	*	*			trans	-61.2	90.2	152.8	-80.1	173.3	-62	0	0	107.9	T431 S435	T431-Q433 VanDerWaalsContact C-N 3.31Å; T431-Q433 PolarHBondContact O-N 3.11Å; T431-Q433 VanDerWaalsContact O-N 3.11Å; Q433-S435 VanDerWaalsContact C-N 3.29Å; Q433-S435 PolarHBondContact O-N 3.38Å
434	D	41	Very low	37.8	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	78%	0.775	S	S	*	*			trans	-88.9	81.3	154	-84.8	-34.2	0	0	0	107.9	N432	N432-D434 PolarHBondContact O-N 3.03Å
435	S	35.5	Very low	37.9	Very low	94 Å²	94	158.9 Å²	158.9	66%	0.657	80%	0.796	S	S	*	*			trans	-76.9	114.7	151.4	53.7	0	0	0	0	108	Q433	Q433-S435 VanDerWaalsContact C-N 3.29Å; Q433-S435 PolarHBondContact O-N 3.38Å
436	K	41.8	Very low	38	Very low	191 Å²	191	160.6 Å²	160.6	83%	0.83	79%	0.794	S	S	*	*			trans	160.6	138.1	156.2	-93.3	162.9	-174	-174.3	0	107.3
437	D	38.4	Very low	38.1	Very low	121 Å²	121	159.1 Å²	159.1	65%	0.647	79%	0.791	S	S	*	*			cis	172.2	135.1	-9	-131.6	-8.1	0	0	0	103.2
438	Y	38.5	Very low	38	Very low	208 Å²	208	158.2 Å²	158.2	82%	0.816	79%	0.791	S	S	*	*			trans	63.6	131.8	168.2	-58.9	-88.6	0	0	0	117
439	Q	43.1	Very low	38.3	Very low	262 Å²	262	164.8 Å²	164.8	100%	1.224	80%	0.799	S	S	*	*			cis	-151.5	0	29.8	-120.2	177.3	-1	0	0	109.6

Retrieved 439 of 439 residues in 209.8 ms (Link to these results)

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