G4LWL1_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession G4LWL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 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	40.8	Very low	68.7	Low	238 Å²	238	139.3 Å²	139.3	100%	1.172	72%	0.724	S	S	*	*				0	77.4	0	-62.1	169.1	86.9	0	0	107.8
2	S	51.7	Low	70.8	Confident	99 Å²	99	135.8 Å²	135.8	69%	0.692	71%	0.707	S	S	*	*			trans	-153.5	7.4	-169.2	-45.2	0	0	0	0	114.4
3	T	54	Low	72.5	Confident	121 Å²	121	131 Å²	131	74%	0.742	69%	0.687	S	S	*	*	S	Bend	trans	-73.2	-29.4	-174.8	36.8	0	0	0	0	113.1	N5 A6	T3-N5 PolarHBondContact O-N 2.79Å; T3-A6 PolarHBondContact O-N 3.24Å
4	E	53.8	Low	74.1	Confident	166 Å²	166	131.8 Å²	131.8	78%	0.776	69%	0.691	S	S	*	*	H	α-helix	trans	-67.2	-33.8	-179.5	-65.3	-179.9	141.9	0	0	113.2	A6 S7	E4-A6 VanDerWaalsContact C-N 3.25Å; E4-A6 PolarHBondContact O-N 2.85Å; E4-S7 PolarHBondContact O-N 2.83Å
5	N	62.1	Low	75.5	Confident	128 Å²	128	132.9 Å²	132.9	68%	0.684	68%	0.684	S	S	*	*	H	α-helix	trans	-67.3	-24.8	180	-79.7	29.5	0	0	0	113.4	T3 N9	T3-N5 PolarHBondContact O-N 2.79Å; N5-N9 PolarHBondContact O-N 3.28Å
6	A	68.4	Low	76.8	Confident	58 Å²	58	129.8 Å²	129.8	48%	0.479	67%	0.665	S	S	.	*	H	α-helix	trans	-66.4	-45.9	178.9	0	0	0	0	0	110.9	T3 E4 K8 N9	T3-A6 PolarHBondContact O-N 3.24Å; E4-A6 VanDerWaalsContact C-N 3.25Å; E4-A6 PolarHBondContact O-N 2.85Å; A6-K8 PolarHBondContact O-N 2.97Å; A6-N9 PolarHBondContact O-N 2.9Å
7	S	74.7	Confident	77.9	Confident	87 Å²	87	128.1 Å²	128.1	61%	0.608	66%	0.657	S	S	*	*	H	α-helix	trans	-58.9	-46.1	179	-52.1	0	0	0	0	111.8	E4 N9 W10 E11	E4-S7 PolarHBondContact O-N 2.83Å; S7-N9 VanDerWaalsContact C-N 3.29Å; S7-N9 PolarHBondContact O-N 2.87Å; S7-W10 CarbonylContact O-C 3.56Å; S7-W10 PolarHBondContact O-N 3.22Å; S7-W10 VanDerWaalsContact O-N 3.13Å; S7-E11 PolarHBondContact O-N 3.28Å; S7-E11 VanDerWaalsContact O-N 3.09Å
8	K	81.1	Confident	78.8	Confident	161 Å²	161	129.2 Å²	129.2	70%	0.7	66%	0.659	S	S	*	*	H	α-helix	trans	-64.6	-27.9	-178.4	-170.1	170.6	-176.6	173.9	0	114	A6 W10	A6-K8 PolarHBondContact O-N 2.97Å; K8-W10 VanDerWaalsContact C-N 3.29Å; K8-W10 PolarHBondContact O-N 3.41Å
9	N	85.9	Confident	79.7	Confident	122 Å²	122	129.5 Å²	129.5	65%	0.652	65%	0.651	S	S	*	*	H	α-helix	trans	-78.8	-12.4	178.3	-158.7	107.9	0	0	0	113	N5 A6 S7	N5-N9 PolarHBondContact O-N 3.28Å; A6-N9 PolarHBondContact O-N 2.9Å; S7-N9 VanDerWaalsContact C-N 3.29Å; S7-N9 PolarHBondContact O-N 2.87Å
10	W	90.7	Very high	80.5	Confident	208 Å²	208	131.8 Å²	131.8	79%	0.788	66%	0.657	S	S	*	*	S	Bend	trans	-122.9	12.7	179.2	-55.3	110.3	0	0	0	112.5	S7 K8 L12	S7-W10 CarbonylContact O-C 3.56Å; S7-W10 PolarHBondContact O-N 3.22Å; S7-W10 VanDerWaalsContact O-N 3.13Å; K8-W10 VanDerWaalsContact C-N 3.29Å; K8-W10 PolarHBondContact O-N 3.41Å; W10-L12 PolarHBondContact O-N 3.46Å
11	E	93.1	Very high	81.2	Confident	144 Å²	144	130.4 Å²	130.4	67%	0.673	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-73.4	118.2	174.6	-174	174	-173.8	0	0	109.4	S7	S7-E11 PolarHBondContact O-N 3.28Å; S7-E11 VanDerWaalsContact O-N 3.09Å
12	L	93.5	Very high	83.8	Confident	98 Å²	98	126.3 Å²	126.3	51%	0.513	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-77.5	130.7	-178.6	-60.9	179.1	0	0	0	110.5	W10 E16 L17	W10-L12 PolarHBondContact O-N 3.46Å; L12-E16 HydrophobicContact CB-CB 4.19Å; L12-E16 HydrophobicContact CD2-CB 4.22Å; L12-L17 HydrophobicContact CB-CD2 3.99Å; L12-L17 HydrophobicContact CB-CG 3.97Å; L12-L17 HydrophobicContact CD1-CD2 3.91Å
13	T	92.9	Very high	85.9	Confident	73 Å²	73	129.1 Å²	129.1	45%	0.448	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-64.7	160.1	170.8	61.2	0	0	0	0	111.7	Y15 E16 L17	T13-Y15 PolarHBondContact O-N 2.64Å; T13-Y15 VanDerWaalsContact O-N 3.1Å; T13-E16 WeakPolarHBondContact CB-OE2 3.4Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.02Å; T13-E16 PolarHBondContact N-OE2 3.02Å; T13-E16 PolarHBondContact O-N 2.64Å; T13-E16 WeakPolarHBondContact OG1-CG 3.41Å; T13-E16 PolarHBondContact OG1-N 2.81Å; T13-E16 PolarHBondContact OG1-OE2 3.07Å; T13-L17 PolarHBondContact O-N 3Å
14	L	94.7	Very high	87.7	Confident	142 Å²	142	127.9 Å²	127.9	74%	0.743	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-28.4	174.1	-65.9	178.2	0	0	0	113.1	L17 H18	L14-L17 HydrophobicContact CD2-CD1 4.41Å; L14-H18 PolarHBondContact O-ND1 3.26Å
15	Y	95.4	Very high	89.6	Confident	148 Å²	148	126.1 Å²	126.1	58%	0.58	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-48.5	171.6	165.3	-110.1	0	0	0	111.8	T13 L17 H18 R19	T13-Y15 PolarHBondContact O-N 2.64Å; T13-Y15 VanDerWaalsContact O-N 3.1Å; Y15-L17 VanDerWaalsContact C-N 3.3Å; Y15-L17 PolarHBondContact O-N 3.21Å; Y15-H18 CarbonylContact O-C 3.42Å; Y15-H18 PolarHBondContact O-N 2.88Å; Y15-R19 HydrophobicContact CE1-CB 4.43Å; Y15-R19 HydrophobicContact CE2-CB 4.21Å; Y15-R19 PolarHBondContact O-N 3.27Å
16	E	95.6	Very high	91	Very high	83 Å²	83	126.1 Å²	126.1	39%	0.388	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-65.9	-31.2	-177.3	-72	161.8	129.1	0	0	113.4	L12 T13 H18 R19	L12-E16 HydrophobicContact CB-CB 4.19Å; L12-E16 HydrophobicContact CD2-CB 4.22Å; T13-E16 WeakPolarHBondContact CB-OE2 3.4Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.02Å; T13-E16 PolarHBondContact N-OE2 3.02Å; T13-E16 PolarHBondContact O-N 2.64Å; T13-E16 WeakPolarHBondContact OG1-CG 3.41Å; T13-E16 PolarHBondContact OG1-N 2.81Å; T13-E16 PolarHBondContact OG1-OE2 3.07Å; E16-H18 PolarHBondContact O-N 2.93Å; E16-R19 WeakPolarHBondContact O-CG 3.4Å
17	L	95.2	Very high	92.1	Very high	102 Å²	102	129.1 Å²	129.1	53%	0.534	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-61.4	-23.8	172.4	-72.2	168.7	0	0	0	113.5	L12 T13 L14 Y15	L12-L17 HydrophobicContact CB-CD2 3.99Å; L12-L17 HydrophobicContact CB-CG 3.97Å; L12-L17 HydrophobicContact CD1-CD2 3.91Å; T13-L17 PolarHBondContact O-N 3Å; L14-L17 HydrophobicContact CD2-CD1 4.41Å; Y15-L17 VanDerWaalsContact C-N 3.3Å; Y15-L17 PolarHBondContact O-N 3.21Å
18	H	94.8	Very high	92.7	Very high	148 Å²	148	128 Å²	128	69%	0.685	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-123.3	6.5	-174.8	-55.4	96.5	0	0	0	113.6	L14 Y15 E16 K20	L14-H18 PolarHBondContact O-ND1 3.26Å; Y15-H18 CarbonylContact O-C 3.42Å; Y15-H18 PolarHBondContact O-N 2.88Å; E16-H18 PolarHBondContact O-N 2.93Å; H18-K20 PolarHBondContact O-N 3.41Å
19	R	95.7	Very high	93.1	Very high	134 Å²	134	124.3 Å²	124.3	51%	0.506	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-67.1	131	-174.7	71.6	-174.8	-67.7	-93.7	-2	111	Y15 E16	Y15-R19 HydrophobicContact CE1-CB 4.43Å; Y15-R19 HydrophobicContact CE2-CB 4.21Å; Y15-R19 PolarHBondContact O-N 3.27Å; E16-R19 WeakPolarHBondContact O-CG 3.4Å
20	K	95.4	Very high	93.2	Very high	176 Å²	176	124.5 Å²	124.5	77%	0.765	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-77.7	153.6	170.8	-65.3	-177.2	179.8	-179.8	0	110.3	H18	H18-K20 PolarHBondContact O-N 3.41Å
21	P	96.7	Very high	92.9	Very high	103 Å²	103	120.7 Å²	120.7	67%	0.669	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-51.7	149.6	166.5	-25.4	35.6	0	0	0	111.5
22	Q	95.1	Very high	92.4	Very high	152 Å²	152	118.6 Å²	118.6	71%	0.71	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-92.8	119.6	169.2	-67.1	-66.2	-45.8	0	0	107.1
23	E	94.4	Very high	91.6	Very high	157 Å²	157	117.2 Å²	117.2	73%	0.734	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-66.7	137.5	-178	-62.1	-55.6	146.5	0	0	110.7
24	P	92.8	Very high	90.9	Very high	95 Å²	95	116.4 Å²	116.4	62%	0.617	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-70.5	144.8	178.2	29.8	-34.3	0	0	0	111	T26	P24-T26 HydrophobicContact CG-CG2 4.41Å; P24-T26 PolarHBondContact O-N 3.36Å
25	I	92.4	Very high	89.7	Confident	130 Å²	130	112.6 Å²	112.6	67%	0.667	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-72.4	117.9	173.9	-58.9	173.1	0	0	0	108.6	D27	I25-D27 WeakPolarHBondContact CG2-OD1 2.94Å
26	T	92.7	Very high	88.6	Confident	128 Å²	128	111.9 Å²	111.9	79%	0.785	61%	0.611	S	S	*	*			trans	-121	2.2	-175.2	54.2	0	0	0	0	114.2	P24 G28	P24-T26 HydrophobicContact CG-CG2 4.41Å; P24-T26 PolarHBondContact O-N 3.36Å; T26-G28 VanDerWaalsContact C-N 3.28Å; T26-G28 PolarHBondContact O-N 2.92Å
27	D	90.8	Very high	88	Confident	120 Å²	120	111.5 Å²	111.5	64%	0.642	62%	0.617	S	S	*	*	S	Bend	trans	-80.5	1.3	-174.6	61.3	7.5	0	0	0	114.9	I25 T29	I25-D27 WeakPolarHBondContact CG2-OD1 2.94Å; D27-T29 WeakPolarHBondContact OD1-CB 3.18Å; D27-T29 PolarHBondContact OD1-N 3.13Å; D27-T29 PolarHBondContact OD1-OG1 3.05Å; D27-T29 PolarHBondContact OD2-OG1 3.39Å
28	G	87.9	Confident	87.5	Confident	63 Å²	63	109.1 Å²	109.1	65%	0.649	61%	0.605	S	S	*	*			trans	80.3	13.3	-176.7	0	0	0	0	0	114.7	T26 V30	T26-G28 VanDerWaalsContact C-N 3.28Å; T26-G28 PolarHBondContact O-N 2.92Å; G28-V30 PolarHBondContact O-N 2.92Å; G28-V30 VanDerWaalsContact O-N 3.14Å
29	T	89.8	Confident	87	Confident	84 Å²	84	105.6 Å²	105.6	52%	0.515	59%	0.588	S	S	.	*			trans	-49.3	117.9	175.8	-70.4	0	0	0	0	112.1	D27	D27-T29 WeakPolarHBondContact OD1-CB 3.18Å; D27-T29 PolarHBondContact OD1-N 3.13Å; D27-T29 PolarHBondContact OD1-OG1 3.05Å; D27-T29 PolarHBondContact OD2-OG1 3.39Å
30	V	87.2	Confident	86.6	Confident	126 Å²	126	103.9 Å²	103.9	76%	0.764	60%	0.596	S	S	*	*			trans	-84.3	119.6	177.7	-179.5	0	0	0	0	109.7	G28	G28-V30 PolarHBondContact O-N 2.92Å; G28-V30 VanDerWaalsContact O-N 3.14Å
31	I	84.5	Confident	86.4	Confident	129 Å²	129	100.2 Å²	100.2	66%	0.662	58%	0.581	S	S	*	*			trans	-96.8	108.7	178.8	-53.4	177.2	0	0	0	109.4	V33	I31-V33 HydrophobicContact CG2-CG2 3.8Å; I31-V33 PolarHBondContact O-N 3.1Å
32	A	82.7	Confident	86.2	Confident	99 Å²	99	95.7 Å²	95.7	82%	0.818	55%	0.552	S	S	*	*			trans	-75.7	99.8	172.3	0	0	0	0	0	110.5
33	V	77.2	Confident	86.1	Confident	69 Å²	69	90.4 Å²	90.4	42%	0.418	53%	0.528	S	S	.	.			trans	-95.9	123.1	177.9	-176.7	0	0	0	0	110	I31 L38	I31-V33 HydrophobicContact CG2-CG2 3.8Å; I31-V33 PolarHBondContact O-N 3.1Å; V33-L38 HydrophobicContact CG1-CD1 3.7Å; V33-L38 HydrophobicContact CG1-CG 3.83Å
34	S	77.5	Confident	86.2	Confident	57 Å²	57	83 Å²	83	40%	0.399	49%	0.493	S	S	.	.			trans	-71.6	137	171.8	99.5	0	0	0	0	109.8	R36 S37	S34-R36 PolarHBondContact O-N 3.05Å; S34-S37 WeakPolarHBondContact O-CB 3.17Å; S34-S37 PolarHBondContact O-N 3Å; S34-S37 PolarHBondContact OG-N 2.97Å; S34-S37 PolarHBondContact OG-OG 3.25Å
35	P	70.3	Confident	86.4	Confident	61 Å²	61	81.6 Å²	81.6	40%	0.396	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.8	-179.6	-28	35.7	0	0	0	114.6	Y107 Y113	P35-Y107 VanDerWaalsContact CA-OH 3.26Å; P35-Y107 WeakPolarHBondContact CA-OH 3.21Å; P35-Y107 HydrophobicContact CB-CE1 4.19Å; P35-Y107 PolarHBondContact O-OH 2.88Å; P35-Y113 HydrophobicContact CB-CE2 4.21Å
36	R	72.9	Confident	86.5	Confident	134 Å²	134	78.5 Å²	78.5	51%	0.506	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.5	174.3	-67.8	-175.8	175	-150.5	-0.8	113.1	S34 L38 K39 N400	S34-R36 PolarHBondContact O-N 3.05Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 3.42Å; R36-K39 WeakPolarHBondContact O-CB 3.37Å; R36-K39 PolarHBondContact O-N 3.14Å; R36-N400 PolarHBondContact NE-OD1 2.92Å; R36-N400 PolarHBondContact NH2-OD1 3Å
37	S	81.9	Confident	86.6	Confident	75 Å²	75	75 Å²	75	52%	0.524	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-25.5	-173.8	-63.5	0	0	0	0	114.1	S34	S34-S37 WeakPolarHBondContact O-CB 3.17Å; S34-S37 PolarHBondContact O-N 3Å; S34-S37 PolarHBondContact OG-N 2.97Å; S34-S37 PolarHBondContact OG-OG 3.25Å
38	L	84.9	Confident	86.7	Confident	51 Å²	51	75 Å²	75	27%	0.267	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	16.9	178	-59.9	-177.6	0	0	0	112.4	V33 R36 E41 L42 I106	V33-L38 HydrophobicContact CG1-CD1 3.7Å; V33-L38 HydrophobicContact CG1-CG 3.83Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 3.42Å; L38-E41 WeakPolarHBondContact CA-OE2 3.08Å; L38-E41 PolarHBondContact O-N 3.34Å; L38-L42 HydrophobicContact CB-CD1 3.76Å; L38-L42 HydrophobicContact CB-CG 4.12Å; L38-L42 HydrophobicContact CD1-CD1 4.14Å; L38-L42 WeakPolarHBondContact O-CB 3.38Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.42Å; L38-L42 VanDerWaalsContact O-N 3.14Å; L38-I106 HydrophobicContact CD1-CD1 3.87Å; L38-I106 HydrophobicContact CD1-CG2 4.21Å
39	K	83.6	Confident	86.8	Confident	75 Å²	75	74 Å²	74	33%	0.326	43%	0.427	S	S	.	.	H	α-helix	trans	-69	-40.3	-170.7	-176.4	162.4	-176.9	162.6	0	111.7	R36 E41 M43	R36-K39 WeakPolarHBondContact O-CB 3.37Å; R36-K39 PolarHBondContact O-N 3.14Å; K39-E41 VanDerWaalsContact C-N 3.32Å; K39-E41 PolarHBondContact O-N 3.19Å; K39-M43 HydrophobicContact CD-SD 3.92Å; K39-M43 WeakPolarHBondContact CE-SD 3.37Å; K39-M43 HydrophobicContact CG-CG 4.21Å; K39-M43 HydrophobicContact CG-SD 3.28Å; K39-M43 WeakPolarHBondContact CG-SD 3.37Å; K39-M43 WeakPolarHBondContact O-CB 3.49Å; K39-M43 WeakPolarHBondContact O-CG 3.28Å; K39-M43 PolarHBondContact O-N 3.08Å
40	S	87.2	Confident	86.9	Confident	97 Å²	97	70.2 Å²	70.2	68%	0.678	40%	0.404	S	S	*	.	H	α-helix	trans	-69.9	-27.5	178	24	0	0	0	0	113.3
41	E	92.5	Very high	87.3	Confident	99 Å²	99	64.4 Å²	64.4	46%	0.463	37%	0.368	S	S	.	.	H	α-helix	trans	-90.3	-31.9	-171.1	-61.5	63	-134.6	0	0	112	L38 K39 F99	L38-E41 WeakPolarHBondContact CA-OE2 3.08Å; L38-E41 PolarHBondContact O-N 3.34Å; K39-E41 VanDerWaalsContact C-N 3.32Å; K39-E41 PolarHBondContact O-N 3.19Å; E41-F99 WeakPolarHBondContact O-CZ 3.26Å
42	L	92.8	Very high	87.7	Confident	9 Å²	9	62.5 Å²	62.5	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-103.8	-6.9	-175.4	-55.7	-179.6	0	0	0	113.9	L38 I50 L51 F99 I103 I106 Y107	L38-L42 HydrophobicContact CB-CD1 3.76Å; L38-L42 HydrophobicContact CB-CG 4.12Å; L38-L42 HydrophobicContact CD1-CD1 4.14Å; L38-L42 WeakPolarHBondContact O-CB 3.38Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.42Å; L38-L42 VanDerWaalsContact O-N 3.14Å; L42-I50 WeakPolarHBondContact O-CA 3.29Å; L42-L51 WeakPolarHBondContact O-CG 3.41Å; L42-L51 PolarHBondContact O-N 3.39Å; L42-F99 HydrophobicContact CD2-CE1 3.78Å; L42-F99 HydrophobicContact CD2-CZ 3.63Å; L42-I103 HydrophobicContact CD2-CG1 4.01Å; L42-I106 HydrophobicContact CD1-CD1 4.04Å; L42-I106 HydrophobicContact CD1-CG2 4.39Å; L42-Y107 HydrophobicContact CD1-CD2 4.42Å; L42-Y107 HydrophobicContact CD1-CE2 3.83Å
43	M	92.9	Very high	88.4	Confident	41 Å²	41	61 Å²	61	20%	0.202	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-82.2	147.9	175.7	-87	174.7	37.9	0	0	113.4	K39 L48 D49	K39-M43 HydrophobicContact CD-SD 3.92Å; K39-M43 WeakPolarHBondContact CE-SD 3.37Å; K39-M43 HydrophobicContact CG-CG 4.21Å; K39-M43 HydrophobicContact CG-SD 3.28Å; K39-M43 WeakPolarHBondContact CG-SD 3.37Å; K39-M43 WeakPolarHBondContact O-CB 3.49Å; K39-M43 WeakPolarHBondContact O-CG 3.28Å; K39-M43 PolarHBondContact O-N 3.08Å; M43-L48 HydrophobicContact CE-CB 4.17Å; M43-L48 HydrophobicContact CE-CD2 4.32Å; M43-L48 WeakPolarHBondContact CE-O 3.48Å; M43-D49 CarbonylContact C-O 3.57Å; M43-D49 WeakPolarHBondContact CA-O 3.41Å
44	C	96.6	Very high	89.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.			trans	-80.7	126.2	165.4	-176.2	0	0	0	0	111	I46 C47 L48 D49 L51 C65	C44-I46 PolarHBondContact O-N 3.22Å; C44-C47 VanDerWaalsContact CB-SG 3.6Å; C44-L48 WeakPolarHBondContact O-CA 3.16Å; C44-L48 PolarHBondContact O-N 3.01Å; C44-D49 PolarHBondContact N-O 3.35Å; C44-L51 HydrophobicContact CB-CD2 3.71Å; C44-L51 HydrophobicContact CB-CG 4.29Å; C44-C65 WeakPolarHBondContact CB-SG 3.09Å; C44-C65 PolarHBondContact SG-N 3.08Å; C44-C65 VanDerWaalsContact SG-N 3.38Å
45	P	95.7	Very high	90.3	Very high	67 Å²	67	55.3 Å²	55.3	44%	0.435	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-7	176.5	-24.1	34.6	0	0	0	115.8	R63 F64	P45-R63 VanDerWaalsContact CD-O 3.32Å; P45-R63 WeakPolarHBondContact CD-O 3.49Å; P45-F64 HydrophobicContact CB-CE1 4.21Å; P45-F64 HydrophobicContact CG-CD1 4.41Å; P45-F64 HydrophobicContact CG-CE1 4.06Å
46	I	95.9	Very high	91.6	Very high	64 Å²	64	53 Å²	53	33%	0.328	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-52.5	-177.2	-58.1	166.5	0	0	0	111.3	C44 F64 C68 I69 A72 P81	C44-I46 PolarHBondContact O-N 3.22Å; I46-F64 HydrophobicContact CD1-CB 4.25Å; I46-F64 HydrophobicContact CD1-CD1 3.49Å; I46-F64 VanDerWaalsContact CD1-CD1 3.49Å; I46-F64 HydrophobicContact CD1-CE1 4.14Å; I46-F64 HydrophobicContact CD1-CG 4.07Å; I46-F64 HydrophobicContact CG1-CD1 3.79Å; I46-F64 HydrophobicContact CG1-CE1 4.2Å; I46-C68 HydrophobicContact CB-CB 3.86Å; I46-C68 HydrophobicContact CD1-CB 3.75Å; I46-C68 HydrophobicContact CG1-CB 4.41Å; I46-C68 HydrophobicContact CG2-CB 3.85Å; I46-I69 HydrophobicContact CD1-CB 4.5Å; I46-I69 HydrophobicContact CD1-CD1 4.45Å; I46-A72 HydrophobicContact CD1-CB 4.27Å; I46-P81 HydrophobicContact CD1-CG 4.08Å; I46-P81 HydrophobicContact CG1-CB 4.3Å; I46-P81 HydrophobicContact CG1-CG 4.35Å
47	C	94.7	Very high	92.8	Very high	55 Å²	55	46.6 Å²	46.6	37%	0.372	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-3.9	-179.3	64.7	0	0	0	0	114.1	C44 D49 C65	C44-C47 VanDerWaalsContact CB-SG 3.6Å; C47-D49 PolarHBondContact O-N 3.17Å; C47-D49 VanDerWaalsContact O-N 3.09Å; C47-C65 VanDerWaalsContact SG-SG 3.67Å
48	L	92.2	Very high	93.5	Very high	121 Å²	121	46.6 Å²	46.6	63%	0.634	25%	0.25	S	C	*	.	S	Bend	trans	58.7	18.2	178.9	-50.4	-179.6	0	0	0	115.4	M43 C44	M43-L48 HydrophobicContact CE-CB 4.17Å; M43-L48 HydrophobicContact CE-CD2 4.32Å; M43-L48 WeakPolarHBondContact CE-O 3.48Å; C44-L48 WeakPolarHBondContact O-CA 3.16Å; C44-L48 PolarHBondContact O-N 3.01Å
49	D	90.7	Very high	93.9	Very high	40 Å²	40	50 Å²	50	21%	0.214	26%	0.264	C	S	.	.	S	Bend	trans	-113.7	165.7	178.7	176.8	26.4	0	0	0	109.9	M43 C44 C47 L51 K52 R110	M43-D49 CarbonylContact C-O 3.57Å; M43-D49 WeakPolarHBondContact CA-O 3.41Å; C44-D49 PolarHBondContact N-O 3.35Å; C47-D49 PolarHBondContact O-N 3.17Å; C47-D49 VanDerWaalsContact O-N 3.09Å; D49-L51 PolarHBondContact O-N 2.85Å; D49-K52 IonicContact OD2-NZ 3.02Å; D49-K52 PolarHBondContact OD2-NZ 2.82Å; D49-R110 IonicContact OD1-NH2 3.94Å; D49-R110 PolarHBondContact OD1-NH2 3.16Å; D49-R110 VanDerWaalsContact OD1-NH2 3.07Å; D49-R110 IonicContact OD2-CZ 2.64Å; D49-R110 IonicContact OD2-NH2 2.81Å; D49-R110 PolarHBondContact OD2-NH2 2.85Å
50	I	91.1	Very high	94.6	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-54.2	135.6	175.1	-65.5	-179.6	0	0	0	109.7	L42 K52 I103 Y107 R110 Y113	L42-I50 WeakPolarHBondContact O-CA 3.29Å; I50-K52 PolarHBondContact O-N 3.17Å; I50-I103 HydrophobicContact CG2-CD1 4.47Å; I50-I103 HydrophobicContact CG2-CG2 3.6Å; I50-Y107 HydrophobicContact CD1-CD2 3.74Å; I50-Y107 HydrophobicContact CD1-CE2 3.83Å; I50-Y107 HydrophobicContact CD1-CG 4.17Å; I50-R110 PolarHBondContact O-NH1 3.08Å; I50-R110 PolarHBondContact O-NH2 3.36Å; I50-Y113 HydrophobicContact CD1-CD1 3.41Å; I50-Y113 VanDerWaalsContact CD1-CD1 3.41Å; I50-Y113 HydrophobicContact CD1-CD2 3.92Å; I50-Y113 HydrophobicContact CD1-CE1 3.39Å; I50-Y113 HydrophobicContact CD1-CE2 3.9Å; I50-Y113 HydrophobicContact CD1-CG 3.69Å; I50-Y113 HydrophobicContact CG1-CD1 4.12Å; I50-Y113 HydrophobicContact CG1-CE1 3.66Å
51	L	94.9	Very high	95	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.254	C	S	.	.			trans	-50.8	132.4	-179.7	-73.1	156.7	0	0	0	112.5	L42 C44 D49 T54 R63 F64 F99 I103 R110	L42-L51 WeakPolarHBondContact O-CG 3.41Å; L42-L51 PolarHBondContact O-N 3.39Å; C44-L51 HydrophobicContact CB-CD2 3.71Å; C44-L51 HydrophobicContact CB-CG 4.29Å; D49-L51 PolarHBondContact O-N 2.85Å; L51-T54 HydrophobicContact CD1-CG2 4.46Å; L51-R63 HydrophobicContact CD1-CB 3.83Å; L51-R63 HydrophobicContact CD2-CB 4.24Å; L51-F64 VanDerWaalsContact CD2-CA 3.41Å; L51-F99 HydrophobicContact CD1-CD1 4.16Å; L51-F99 HydrophobicContact CD1-CE1 3.6Å; L51-I103 HydrophobicContact CB-CD1 3.76Å; L51-R110 PolarHBondContact O-NH1 3.46Å
52	K	94	Very high	95.3	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.387	25%	0.245	S	C	.	.	S	Bend	trans	-117.7	111.8	177.8	-74.7	173.6	160.3	115.2	0	108.4	D49 I50 C65 S66 R110 E114	D49-K52 IonicContact OD2-NZ 3.02Å; D49-K52 PolarHBondContact OD2-NZ 2.82Å; I50-K52 PolarHBondContact O-N 3.17Å; K52-C65 HydrophobicContact CB-CB 4.22Å; K52-C65 PolarHBondContact N-SG 3.42Å; K52-C65 WeakPolarHBondContact O-CA 3.38Å; K52-C65 WeakPolarHBondContact O-CB 3.24Å; K52-S66 PolarHBondContact O-N 3.01Å; K52-S66 VanDerWaalsContact O-N 3.14Å; K52-R110 VanDerWaalsContact CE-NE 3.28Å; K52-R110 VanDerWaalsContact CG-CZ 3.46Å; K52-R110 VanDerWaalsContact NZ-NH2 3.1Å; K52-E114 IonicContact NZ-OE1 3.8Å; K52-E114 PolarHBondContact NZ-OE1 2.85Å
53	V	96.2	Very high	95.5	Very high	67 Å²	67	50.4 Å²	50.4	41%	0.406	26%	0.258	S	S	.	.	S	Bend	trans	54.6	76.4	-177.6	-172.8	0	0	0	0	110.9	M55 S66 R95 D100	V53-M55 PolarHBondContact O-N 3.38Å; V53-S66 VanDerWaalsContact O-CB 3.27Å; V53-S66 WeakPolarHBondContact O-CB 3.06Å; V53-S66 PolarHBondContact O-N 3.01Å; V53-R95 VanDerWaalsContact CG1-NH1 3.29Å; V53-D100 WeakPolarHBondContact CA-OD2 3.39Å
54	T	97.4	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	125.3	-165	-59.3	0	0	0	0	111.8	L51 R63 R95 D96 F99 D100	L51-T54 HydrophobicContact CD1-CG2 4.46Å; T54-R63 HydrophobicContact CG2-CB 3.94Å; T54-R63 HydrophobicContact CG2-CG 3.95Å; T54-R95 CarbonylContact O-C 3.45Å; T54-R95 WeakPolarHBondContact O-CA 3.43Å; T54-D96 HydrophobicContact CG2-CB 3.99Å; T54-D96 PolarHBondContact O-N 2.83Å; T54-F99 HydrophobicContact CG2-CB 4.39Å; T54-F99 HydrophobicContact CG2-CD1 4.1Å; T54-D100 WeakPolarHBondContact CB-OD1 3.28Å; T54-D100 VanDerWaalsContact N-CG 3.31Å; T54-D100 PolarHBondContact N-OD1 2.9Å; T54-D100 PolarHBondContact N-OD2 3.17Å; T54-D100 PolarHBondContact OG1-OD1 3.34Å
55	M	97.8	Very high	95.9	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.039	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.7	172	-73.2	-71.2	-80.7	0	0	109.6	V53 F64 I69 K90 L93 R94 R95	V53-M55 PolarHBondContact O-N 3.38Å; M55-F64 PolarHBondContact N-O 2.81Å; M55-F64 PolarHBondContact O-N 3.36Å; M55-I69 HydrophobicContact CB-CG2 3.76Å; M55-I69 HydrophobicContact CG-CG2 4.25Å; M55-K90 HydrophobicContact CE-CG 4.46Å; M55-L93 HydrophobicContact CE-CB 3.57Å; M55-L93 HydrophobicContact CE-CD1 3.75Å; M55-L93 HydrophobicContact CE-CG 4.32Å; M55-R94 CarbonylContact C-O 3.56Å; M55-R94 WeakPolarHBondContact CA-O 3.31Å; M55-R95 HydrophobicContact SD-CB 4.23Å; M55-R95 HydrophobicContact SD-CG 3.43Å; M55-R95 WeakPolarHBondContact SD-CG 3.32Å
56	T	98	Very high	95.9	Very high	12 Å²	12	46.2 Å²	46.2	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.9	-174.7	-56.4	0	0	0	0	110.4	L61 H62 R63 L93 R94 D96	T56-L61 HydrophobicContact CG2-CB 4.34Å; T56-L61 HydrophobicContact CG2-CD2 4.15Å; T56-H62 WeakPolarHBondContact CA-O 3.49Å; T56-R63 HydrophobicContact CG2-CG 4.41Å; T56-L93 CarbonylContact O-C 3.6Å; T56-L93 WeakPolarHBondContact O-CA 3.37Å; T56-R94 PolarHBondContact N-O 3.34Å; T56-R94 PolarHBondContact O-N 3Å; T56-D96 WeakPolarHBondContact OG1-CB 3.35Å; T56-D96 PolarHBondContact OG1-OD2 2.89Å
57	T	97.5	Very high	96	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.7	176.1	56.1	0	0	0	0	111.3	E59 C60 L61 H62 F64 L87 L93	T57-E59 VanDerWaalsContact C-N 3.32Å; T57-E59 PolarHBondContact O-N 2.81Å; T57-C60 PolarHBondContact OG1-SG 3.48Å; T57-L61 WeakPolarHBondContact O-CA 3.46Å; T57-L61 PolarHBondContact O-N 2.77Å; T57-L61 PolarHBondContact OG1-N 3.48Å; T57-H62 PolarHBondContact N-O 2.83Å; T57-H62 PolarHBondContact OG1-N 2.98Å; T57-H62 PolarHBondContact OG1-O 2.9Å; T57-F64 HydrophobicContact CG2-CD2 4.44Å; T57-F64 HydrophobicContact CG2-CE2 3.89Å; T57-L87 HydrophobicContact CG2-CD1 3.73Å; T57-L87 HydrophobicContact CG2-CD2 3.88Å; T57-L87 HydrophobicContact CG2-CG 4.45Å; T57-L93 HydrophobicContact CG2-CD2 3.66Å
58	K	96.2	Very high	96.2	Very high	75 Å²	75	49 Å²	49	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.8	-178	-70.2	174.4	179.2	174.6	0	113.6	R91 S92 L93 R94	K58-R91 WeakPolarHBondContact CE-O 3.17Å; K58-R91 PolarHBondContact NZ-O 3.38Å; K58-S92 WeakPolarHBondContact CG-O 3.35Å; K58-S92 PolarHBondContact N-O 3.38Å; K58-L93 WeakPolarHBondContact CE-O 3.43Å; K58-R94 HydrophobicContact CD-CG 4.4Å; K58-R94 VanDerWaalsContact CE-CG 3.49Å; K58-R94 HydrophobicContact CG-CG 4.01Å
59	E	95	Very high	96.4	Very high	121 Å²	121	43.3 Å²	43.3	57%	0.565	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.9	-169.6	-58.3	-57	135.9	0	0	114.9	T57 K85	T57-E59 VanDerWaalsContact C-N 3.32Å; T57-E59 PolarHBondContact O-N 2.81Å; E59-K85 HydrophobicContact CB-CD 3.47Å; E59-K85 VanDerWaalsContact CB-CD 3.47Å; E59-K85 HydrophobicContact CB-CG 4.49Å; E59-K85 HydrophobicContact CG-CD 4.43Å; E59-K85 PolarHBondContact O-NZ 3.24Å
60	C	97	Very high	96.7	Very high	30 Å²	30	44 Å²	44	20%	0.203	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.7	2.4	-175.9	47.8	0	0	0	0	114.6	T57 H62	T57-C60 PolarHBondContact OG1-SG 3.48Å; C60-H62 PolarHBondContact O-N 2.74Å
61	L	96.8	Very high	96.9	Very high	115 Å²	115	47.3 Å²	47.3	60%	0.602	24%	0.237	S	C	*	.			trans	55.1	20.3	173.6	-53.6	179.6	0	0	0	115.6	T56 T57	T56-L61 HydrophobicContact CG2-CB 4.34Å; T56-L61 HydrophobicContact CG2-CD2 4.15Å; T57-L61 WeakPolarHBondContact O-CA 3.46Å; T57-L61 PolarHBondContact O-N 2.77Å; T57-L61 PolarHBondContact OG1-N 3.48Å
62	H	97.8	Very high	97	Very high	57 Å²	57	48.6 Å²	48.6	26%	0.264	25%	0.249	S	C	.	.			trans	-73.7	138.5	172.3	-67.5	120.9	0	0	0	110.6	T56 T57 C60 F64 C83	T56-H62 WeakPolarHBondContact CA-O 3.49Å; T57-H62 PolarHBondContact N-O 2.83Å; T57-H62 PolarHBondContact OG1-N 2.98Å; T57-H62 PolarHBondContact OG1-O 2.9Å; C60-H62 PolarHBondContact O-N 2.74Å; H62-F64 HydrophobicContact CB-CE2 3.73Å; H62-F64 HydrophobicContact CB-CZ 3.84Å; H62-C83 VanDerWaalsContact CE1-CB 3.5Å; H62-C83 WeakPolarHBondContact CE1-CB 3.28Å; H62-C83 VanDerWaalsContact CE1-SG 3.51Å
63	R	97.9	Very high	97	Very high	87 Å²	87	45.2 Å²	45.2	33%	0.328	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.9	-172.9	-66.6	-175.7	174.5	87.8	1.5	111.6	P45 L51 T54 T56 D96 F99	P45-R63 VanDerWaalsContact CD-O 3.32Å; P45-R63 WeakPolarHBondContact CD-O 3.49Å; L51-R63 HydrophobicContact CD1-CB 3.83Å; L51-R63 HydrophobicContact CD2-CB 4.24Å; T54-R63 HydrophobicContact CG2-CB 3.94Å; T54-R63 HydrophobicContact CG2-CG 3.95Å; T56-R63 HydrophobicContact CG2-CG 4.41Å; R63-D96 IonicContact CZ-OD2 3.84Å; R63-D96 IonicContact NE-OD2 3.45Å; R63-D96 PolarHBondContact NE-OD2 3.25Å; R63-D96 IonicContact NH2-OD2 2.66Å; R63-D96 PolarHBondContact NH2-OD2 3.1Å; R63-F99 VanDerWaalsContact NE-CD2 3.3Å
64	F	98.2	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.5	179.8	-53.6	-79.8	0	0	0	110.7	P45 I46 L51 M55 T57 H62 I69 P81 T82	P45-F64 HydrophobicContact CB-CE1 4.21Å; P45-F64 HydrophobicContact CG-CD1 4.41Å; P45-F64 HydrophobicContact CG-CE1 4.06Å; I46-F64 HydrophobicContact CD1-CB 4.25Å; I46-F64 HydrophobicContact CD1-CD1 3.49Å; I46-F64 VanDerWaalsContact CD1-CD1 3.49Å; I46-F64 HydrophobicContact CD1-CE1 4.14Å; I46-F64 HydrophobicContact CD1-CG 4.07Å; I46-F64 HydrophobicContact CG1-CD1 3.79Å; I46-F64 HydrophobicContact CG1-CE1 4.2Å; L51-F64 VanDerWaalsContact CD2-CA 3.41Å; M55-F64 PolarHBondContact N-O 2.81Å; M55-F64 PolarHBondContact O-N 3.36Å; T57-F64 HydrophobicContact CG2-CD2 4.44Å; T57-F64 HydrophobicContact CG2-CE2 3.89Å; H62-F64 HydrophobicContact CB-CE2 3.73Å; H62-F64 HydrophobicContact CB-CZ 3.84Å; F64-I69 HydrophobicContact CB-CB 3.7Å; F64-I69 HydrophobicContact CB-CG1 4.4Å; F64-I69 HydrophobicContact CB-CG2 4.18Å; F64-I69 HydrophobicContact CD2-CB 4.27Å; F64-I69 HydrophobicContact CD2-CD1 3.84Å; F64-I69 HydrophobicContact CD2-CG1 4.02Å; F64-I69 HydrophobicContact CE2-CD1 4.11Å; F64-I69 HydrophobicContact CG-CB 4.1Å; F64-I69 HydrophobicContact CG-CD1 4.12Å; F64-I69 HydrophobicContact CG-CG1 4.31Å; F64-P81 HydrophobicContact CE1-CB 3.95Å; F64-P81 HydrophobicContact CE1-CG 4.12Å; F64-P81 HydrophobicContact CZ-CB 4.24Å; F64-P81 HydrophobicContact CZ-CG 4.25Å; F64-T82 WeakPolarHBondContact CE1-OG1 3.35Å; F64-T82 VanDerWaalsContact CZ-OG1 3.29Å; F64-T82 WeakPolarHBondContact CZ-OG1 3.28Å
65	C	98	Very high	96.8	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	144.5	167	-53.8	0	0	0	0	109.7	C44 C47 K52 E67 C68 I69	C44-C65 WeakPolarHBondContact CB-SG 3.09Å; C44-C65 PolarHBondContact SG-N 3.08Å; C44-C65 VanDerWaalsContact SG-N 3.38Å; C47-C65 VanDerWaalsContact SG-SG 3.67Å; K52-C65 HydrophobicContact CB-CB 4.22Å; K52-C65 PolarHBondContact N-SG 3.42Å; K52-C65 WeakPolarHBondContact O-CA 3.38Å; K52-C65 WeakPolarHBondContact O-CB 3.24Å; C65-E67 VanDerWaalsContact C-N 3.31Å; C65-E67 PolarHBondContact O-N 2.92Å; C65-C68 HydrophobicContact CB-CB 4.01Å; C65-C68 PolarHBondContact O-N 3.12Å; C65-I69 WeakPolarHBondContact O-CG2 3.29Å; C65-I69 PolarHBondContact O-N 3.17Å; C65-I69 VanDerWaalsContact O-N 3.09Å
66	S	97.5	Very high	96.3	Very high	16 Å²	16	59.4 Å²	59.4	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-54.2	-46.6	-178.3	171.7	0	0	0	0	112.6	K52 V53 I70	K52-S66 PolarHBondContact O-N 3.01Å; K52-S66 VanDerWaalsContact O-N 3.14Å; V53-S66 VanDerWaalsContact O-CB 3.27Å; V53-S66 WeakPolarHBondContact O-CB 3.06Å; V53-S66 PolarHBondContact O-N 3.01Å; S66-I70 WeakPolarHBondContact O-CB 3.34Å; S66-I70 VanDerWaalsContact O-CD1 3.29Å; S66-I70 WeakPolarHBondContact O-CD1 3.46Å; S66-I70 WeakPolarHBondContact O-CG1 3.47Å; S66-I70 PolarHBondContact O-N 2.93Å
67	E	97.4	Very high	96	Very high	153 Å²	153	64.4 Å²	64.4	72%	0.715	33%	0.327	S	S	*	.	H	α-helix	trans	-65.9	-48.2	179	-65.9	173.7	175.9	0	0	111.4	C65 I69 I70 T71	C65-E67 VanDerWaalsContact C-N 3.31Å; C65-E67 PolarHBondContact O-N 2.92Å; E67-I69 PolarHBondContact O-N 2.76Å; E67-I70 PolarHBondContact O-N 2.8Å; E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.9Å; E67-T71 PolarHBondContact O-OG1 3.1Å; E67-T71 VanDerWaalsContact O-OG1 3.1Å
68	C	97.8	Very high	95.9	Very high	26 Å²	26	69 Å²	69	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-47	-177.8	-60.6	0	0	0	0	113	I46 C65 A72	I46-C68 HydrophobicContact CB-CB 3.86Å; I46-C68 HydrophobicContact CD1-CB 3.75Å; I46-C68 HydrophobicContact CG1-CB 4.41Å; I46-C68 HydrophobicContact CG2-CB 3.85Å; C65-C68 HydrophobicContact CB-CB 4.01Å; C65-C68 PolarHBondContact O-N 3.12Å; C68-A72 VanDerWaalsContact O-CB 3.27Å; C68-A72 WeakPolarHBondContact O-CB 3.45Å; C68-A72 PolarHBondContact O-N 3.34Å
69	I	97.4	Very high	95.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-31.6	179.7	-167.8	59.7	0	0	0	112.8	I46 M55 F64 C65 E67 L73 P81 L87 L93	I46-I69 HydrophobicContact CD1-CB 4.5Å; I46-I69 HydrophobicContact CD1-CD1 4.45Å; M55-I69 HydrophobicContact CB-CG2 3.76Å; M55-I69 HydrophobicContact CG-CG2 4.25Å; F64-I69 HydrophobicContact CB-CB 3.7Å; F64-I69 HydrophobicContact CB-CG1 4.4Å; F64-I69 HydrophobicContact CB-CG2 4.18Å; F64-I69 HydrophobicContact CD2-CB 4.27Å; F64-I69 HydrophobicContact CD2-CD1 3.84Å; F64-I69 HydrophobicContact CD2-CG1 4.02Å; F64-I69 HydrophobicContact CE2-CD1 4.11Å; F64-I69 HydrophobicContact CG-CB 4.1Å; F64-I69 HydrophobicContact CG-CD1 4.12Å; F64-I69 HydrophobicContact CG-CG1 4.31Å; C65-I69 WeakPolarHBondContact O-CG2 3.29Å; C65-I69 PolarHBondContact O-N 3.17Å; C65-I69 VanDerWaalsContact O-N 3.09Å; E67-I69 PolarHBondContact O-N 2.76Å; I69-L73 HydrophobicContact CD1-CG 4.36Å; I69-L73 HydrophobicContact CG1-CD1 4.25Å; I69-L73 HydrophobicContact CG1-CG 4.43Å; I69-L73 WeakPolarHBondContact O-CB 3.19Å; I69-L73 VanDerWaalsContact O-CG 3.29Å; I69-L73 WeakPolarHBondContact O-CG 3.24Å; I69-L73 PolarHBondContact O-N 2.8Å; I69-P81 HydrophobicContact CD1-CG 3.94Å; I69-L87 HydrophobicContact CD1-CD1 4.42Å; I69-L93 HydrophobicContact CB-CD1 4.44Å; I69-L93 HydrophobicContact CG1-CD1 3.77Å; I69-L93 HydrophobicContact CG1-CD2 4.17Å; I69-L93 HydrophobicContact CG2-CD1 3.75Å
70	I	96.1	Very high	96	Very high	55 Å²	55	62.4 Å²	62.4	28%	0.282	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-43.8	175.2	-70	169.8	0	0	0	110.1	S66 E67 L73 R74 K90	S66-I70 WeakPolarHBondContact O-CB 3.34Å; S66-I70 VanDerWaalsContact O-CD1 3.29Å; S66-I70 WeakPolarHBondContact O-CD1 3.46Å; S66-I70 WeakPolarHBondContact O-CG1 3.47Å; S66-I70 PolarHBondContact O-N 2.93Å; E67-I70 PolarHBondContact O-N 2.8Å; I70-L73 PolarHBondContact O-N 3.29Å; I70-R74 WeakPolarHBondContact O-CB 3.21Å; I70-R74 PolarHBondContact O-N 3.43Å; I70-K90 HydrophobicContact CD1-CD 4.2Å; I70-K90 HydrophobicContact CG1-CD 4.39Å
71	T	96.1	Very high	96	Very high	75 Å²	75	63.9 Å²	63.9	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-43.7	175.8	-62	0	0	0	0	111.5	E67 L73 R74 N75	E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.9Å; E67-T71 PolarHBondContact O-OG1 3.1Å; E67-T71 VanDerWaalsContact O-OG1 3.1Å; T71-L73 PolarHBondContact O-N 3.4Å; T71-R74 PolarHBondContact O-N 3.22Å; T71-R74 VanDerWaalsContact O-N 3.15Å; T71-N75 WeakPolarHBondContact O-CB 3.36Å; T71-N75 PolarHBondContact O-N 3.21Å
72	A	96	Very high	95.9	Very high	31 Å²	31	61.6 Å²	61.6	26%	0.256	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-45	174.6	0	0	0	0	0	112.1	I46 C68 R74 G76 P81	I46-A72 HydrophobicContact CD1-CB 4.27Å; C68-A72 VanDerWaalsContact O-CB 3.27Å; C68-A72 WeakPolarHBondContact O-CB 3.45Å; C68-A72 PolarHBondContact O-N 3.34Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3Å; A72-G76 WeakPolarHBondContact O-CA 3.42Å; A72-G76 PolarHBondContact O-N 3.48Å; A72-P81 HydrophobicContact CB-CG 4.4Å
73	L	95.8	Very high	95.9	Very high	17 Å²	17	61.6 Å²	61.6	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-70.9	-22.2	176	-71.7	176.7	0	0	0	113.7	I69 I70 T71 K78 L87 L93	I69-L73 HydrophobicContact CD1-CG 4.36Å; I69-L73 HydrophobicContact CG1-CD1 4.25Å; I69-L73 HydrophobicContact CG1-CG 4.43Å; I69-L73 WeakPolarHBondContact O-CB 3.19Å; I69-L73 VanDerWaalsContact O-CG 3.29Å; I69-L73 WeakPolarHBondContact O-CG 3.24Å; I69-L73 PolarHBondContact O-N 2.8Å; I70-L73 PolarHBondContact O-N 3.29Å; T71-L73 PolarHBondContact O-N 3.4Å; L73-K78 WeakPolarHBondContact O-CE 3.27Å; L73-K78 PolarHBondContact O-NZ 2.87Å; L73-L87 HydrophobicContact CD2-CB 3.88Å; L73-L87 HydrophobicContact CD2-CD1 4.27Å; L73-L93 HydrophobicContact CD1-CD1 3.93Å; L73-L93 HydrophobicContact CD1-CG 4.48Å
74	R	94.6	Very high	95.8	Very high	209 Å²	209	66.8 Å²	66.8	79%	0.789	34%	0.343	S	S	*	.	H	α-helix	trans	-77.4	-49.5	173.9	-172	175.5	-176.3	161.6	0.2	110.9	I70 T71 A72	I70-R74 WeakPolarHBondContact O-CB 3.21Å; I70-R74 PolarHBondContact O-N 3.43Å; T71-R74 PolarHBondContact O-N 3.22Å; T71-R74 VanDerWaalsContact O-N 3.15Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 3Å
75	N	93.2	Very high	95.7	Very high	129 Å²	129	71.5 Å²	71.5	69%	0.69	36%	0.364	S	S	*	.	H	α-helix	trans	-92.3	-20	-168.1	-61.5	10.8	0	0	0	113.7	T71	T71-N75 WeakPolarHBondContact O-CB 3.36Å; T71-N75 PolarHBondContact O-N 3.21Å
76	G	89	Confident	95.6	Very high	36 Å²	36	78.9 Å²	78.9	37%	0.371	40%	0.395	S	S	.	.	S	Bend	trans	-123.9	-165.4	-172.3	0	0	0	0	0	115.2	A72 K78	A72-G76 WeakPolarHBondContact O-CA 3.42Å; A72-G76 PolarHBondContact O-N 3.48Å; G76-K78 PolarHBondContact O-NZ 3.34Å
77	N	91.8	Very high	95.5	Very high	116 Å²	116	78.1 Å²	78.1	62%	0.62	39%	0.39	S	S	*	.			trans	-58.5	147.9	177.5	-67.8	-7.5	0	0	0	111.6	E79	N77-E79 HydrophobicContact CB-CG 3.76Å; N77-E79 WeakPolarHBondContact CB-OE1 3.26Å; N77-E79 PolarHBondContact ND2-OE1 2.86Å; N77-E79 PolarHBondContact O-N 3.48Å
78	K	94.9	Very high	95.3	Very high	98 Å²	98	75.7 Å²	75.7	43%	0.426	39%	0.385	S	S	.	.	S	Bend	trans	-83.2	58.3	179.1	-53.8	-54.5	175.5	-119.5	0	110.6	L73 G76 L87	L73-K78 WeakPolarHBondContact O-CE 3.27Å; L73-K78 PolarHBondContact O-NZ 2.87Å; G76-K78 PolarHBondContact O-NZ 3.34Å; K78-L87 CarbonylContact C-O 3.54Å; K78-L87 WeakPolarHBondContact CB-O 3.25Å; K78-L87 CarbonylContact O-C 3.54Å; K78-L87 PolarHBondContact O-N 2.83Å
79	E	96.1	Very high	95.1	Very high	57 Å²	57	76.9 Å²	76.9	27%	0.266	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-141.5	162.9	-174.5	73.2	-171.4	148.7	0	0	112.1	N77 P81 R84 K85	N77-E79 HydrophobicContact CB-CG 3.76Å; N77-E79 WeakPolarHBondContact CB-OE1 3.26Å; N77-E79 PolarHBondContact ND2-OE1 2.86Å; N77-E79 PolarHBondContact O-N 3.48Å; E79-P81 WeakPolarHBondContact O-CD 3.42Å; E79-R84 VanDerWaalsContact OE2-CB 3.28Å; E79-R84 WeakPolarHBondContact OE2-CB 3.49Å; E79-K85 CarbonylContact C-O 3.54Å; E79-K85 WeakPolarHBondContact CA-O 3.47Å
80	C	97.4	Very high	94.9	Very high	0 Å²	0	82.8 Å²	82.8	0%	0	42%	0.42	C	S	.	.			trans	-75.3	122.5	177.1	-178.5	0	0	0	0	110.8	T82 C83 R84 K85 L87	C80-T82 PolarHBondContact O-N 3.04Å; C80-T82 VanDerWaalsContact O-N 3.09Å; C80-C83 PolarHBondContact O-N 3.44Å; C80-R84 WeakPolarHBondContact O-CA 3.33Å; C80-R84 PolarHBondContact O-N 3.32Å; C80-K85 WeakPolarHBondContact CB-O 3.42Å; C80-K85 PolarHBondContact N-O 3.38Å; C80-L87 HydrophobicContact CB-CD1 3.9Å; C80-L87 HydrophobicContact CB-CG 4.14Å
81	P	95.6	Very high	94.9	Very high	61 Å²	61	90.1 Å²	90.1	40%	0.396	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.6	-178.8	-30.3	37.6	0	0	0	114.9	I46 F64 I69 A72 E79	I46-P81 HydrophobicContact CD1-CG 4.08Å; I46-P81 HydrophobicContact CG1-CB 4.3Å; I46-P81 HydrophobicContact CG1-CG 4.35Å; F64-P81 HydrophobicContact CE1-CB 3.95Å; F64-P81 HydrophobicContact CE1-CG 4.12Å; F64-P81 HydrophobicContact CZ-CB 4.24Å; F64-P81 HydrophobicContact CZ-CG 4.25Å; I69-P81 HydrophobicContact CD1-CG 3.94Å; A72-P81 HydrophobicContact CB-CG 4.4Å; E79-P81 WeakPolarHBondContact O-CD 3.42Å
82	T	96.2	Very high	94.9	Very high	67 Å²	67	87.7 Å²	87.7	41%	0.411	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-41.5	-179.6	-45.5	0	0	0	0	114.4	F64 C80	F64-T82 WeakPolarHBondContact CE1-OG1 3.35Å; F64-T82 VanDerWaalsContact CZ-OG1 3.29Å; F64-T82 WeakPolarHBondContact CZ-OG1 3.28Å; C80-T82 PolarHBondContact O-N 3.04Å; C80-T82 VanDerWaalsContact O-N 3.09Å
83	C	97.5	Very high	94.9	Very high	56 Å²	56	86.7 Å²	86.7	38%	0.378	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	9.4	-169	77.4	0	0	0	0	115.2	H62 C80 K85	H62-C83 VanDerWaalsContact CE1-CB 3.5Å; H62-C83 WeakPolarHBondContact CE1-CB 3.28Å; H62-C83 VanDerWaalsContact CE1-SG 3.51Å; C80-C83 PolarHBondContact O-N 3.44Å; C83-K85 PolarHBondContact O-N 2.94Å
84	R	95.7	Very high	95	Very high	196 Å²	196	93.7 Å²	93.7	74%	0.74	45%	0.445	S	S	*	.			trans	56.3	12.9	176.5	-59	-175.8	-171.4	163.2	2.2	116.1	E79 C80	E79-R84 VanDerWaalsContact OE2-CB 3.28Å; E79-R84 WeakPolarHBondContact OE2-CB 3.49Å; C80-R84 WeakPolarHBondContact O-CA 3.33Å; C80-R84 PolarHBondContact O-N 3.32Å
85	K	95.7	Very high	95.1	Very high	100 Å²	100	91.7 Å²	91.7	44%	0.435	44%	0.438	S	S	.	.			trans	-67.7	135	171.7	-169	-179.5	-72.9	-169.1	0	109.5	E59 E79 C80 C83 L87	E59-K85 HydrophobicContact CB-CD 3.47Å; E59-K85 VanDerWaalsContact CB-CD 3.47Å; E59-K85 HydrophobicContact CB-CG 4.49Å; E59-K85 HydrophobicContact CG-CD 4.43Å; E59-K85 PolarHBondContact O-NZ 3.24Å; E79-K85 CarbonylContact C-O 3.54Å; E79-K85 WeakPolarHBondContact CA-O 3.47Å; C80-K85 WeakPolarHBondContact CB-O 3.42Å; C80-K85 PolarHBondContact N-O 3.38Å; C83-K85 PolarHBondContact O-N 2.94Å; K85-L87 PolarHBondContact O-N 3.34Å
86	K	96.4	Very high	95.4	Very high	158 Å²	158	87 Å²	87	69%	0.687	41%	0.413	S	S	*	.	B	Isolated β-bridge	trans	-56.4	130	-174.6	-170.4	174.3	-176.3	174.7	0	112.8
87	L	95.7	Very high	95.7	Very high	0 Å²	0	89.2 Å²	89.2	0%	0	42%	0.421	C	S	.	.			trans	-124.4	96.8	175.5	-65.4	-177.8	0	0	0	109	T57 I69 L73 K78 C80 K85 S89 L93	T57-L87 HydrophobicContact CG2-CD1 3.73Å; T57-L87 HydrophobicContact CG2-CD2 3.88Å; T57-L87 HydrophobicContact CG2-CG 4.45Å; I69-L87 HydrophobicContact CD1-CD1 4.42Å; L73-L87 HydrophobicContact CD2-CB 3.88Å; L73-L87 HydrophobicContact CD2-CD1 4.27Å; K78-L87 CarbonylContact C-O 3.54Å; K78-L87 WeakPolarHBondContact CB-O 3.25Å; K78-L87 CarbonylContact O-C 3.54Å; K78-L87 PolarHBondContact O-N 2.83Å; C80-L87 HydrophobicContact CB-CD1 3.9Å; C80-L87 HydrophobicContact CB-CG 4.14Å; K85-L87 PolarHBondContact O-N 3.34Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.87Å; L87-L93 HydrophobicContact CD1-CD2 4.26Å
88	V	93.2	Very high	96	Very high	102 Å²	102	90 Å²	90	62%	0.618	43%	0.425	S	S	*	.			trans	-60.3	-39.9	-171.9	-179.5	0	0	0	0	112.4	S92	V88-S92 PolarHBondContact N-OG 2.84Å
89	S	93.2	Very high	96.1	Very high	52 Å²	52	86.6 Å²	86.6	36%	0.364	41%	0.41	S	S	.	.	S	Bend	trans	-166.2	-174.2	177.9	67	0	0	0	0	111.1	L87 R91 S92	L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.87Å; S89-R91 PolarHBondContact O-N 3.04Å; S89-R91 WeakPolarHBondContact OG-CB 3.12Å; S89-R91 PolarHBondContact OG-N 2.85Å; S89-S92 WeakPolarHBondContact O-CB 3.4Å; S89-S92 PolarHBondContact O-N 3.41Å
90	K	93.7	Very high	96	Very high	124 Å²	124	85.7 Å²	85.7	54%	0.539	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-50.7	-24.1	168.2	-169.9	174.2	-179.9	176.3	0	113.5	M55 I70 S92 L93	M55-K90 HydrophobicContact CE-CG 4.46Å; I70-K90 HydrophobicContact CD1-CD 4.2Å; I70-K90 HydrophobicContact CG1-CD 4.39Å; K90-S92 PolarHBondContact O-N 2.89Å; K90-L93 WeakPolarHBondContact O-CB 3.22Å; K90-L93 PolarHBondContact O-N 3.24Å; K90-L93 VanDerWaalsContact O-N 3.14Å
91	R	95.3	Very high	95.9	Very high	208 Å²	208	88.1 Å²	88.1	79%	0.785	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.4	174	-173.9	177.4	-71.3	-89.3	2	113.2	K58 S89 L93	K58-R91 WeakPolarHBondContact CE-O 3.17Å; K58-R91 PolarHBondContact NZ-O 3.38Å; S89-R91 PolarHBondContact O-N 3.04Å; S89-R91 WeakPolarHBondContact OG-CB 3.12Å; S89-R91 PolarHBondContact OG-N 2.85Å; R91-L93 PolarHBondContact O-N 3.4Å
92	S	95.4	Very high	95.8	Very high	24 Å²	24	89 Å²	89	17%	0.168	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-78	-1.4	174	-58.7	0	0	0	0	113.5	K58 V88 S89 K90	K58-S92 WeakPolarHBondContact CG-O 3.35Å; K58-S92 PolarHBondContact N-O 3.38Å; V88-S92 PolarHBondContact N-OG 2.84Å; S89-S92 WeakPolarHBondContact O-CB 3.4Å; S89-S92 PolarHBondContact O-N 3.41Å; K90-S92 PolarHBondContact O-N 2.89Å
93	L	97.1	Very high	95.6	Very high	10 Å²	10	86.4 Å²	86.4	5%	0.052	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	163.7	179.7	-50.3	176.6	0	0	0	111.5	M55 T56 T57 K58 I69 L73 L87 K90 R91	M55-L93 HydrophobicContact CE-CB 3.57Å; M55-L93 HydrophobicContact CE-CD1 3.75Å; M55-L93 HydrophobicContact CE-CG 4.32Å; T56-L93 CarbonylContact O-C 3.6Å; T56-L93 WeakPolarHBondContact O-CA 3.37Å; T57-L93 HydrophobicContact CG2-CD2 3.66Å; K58-L93 WeakPolarHBondContact CE-O 3.43Å; I69-L93 HydrophobicContact CB-CD1 4.44Å; I69-L93 HydrophobicContact CG1-CD1 3.77Å; I69-L93 HydrophobicContact CG1-CD2 4.17Å; I69-L93 HydrophobicContact CG2-CD1 3.75Å; L73-L93 HydrophobicContact CD1-CD1 3.93Å; L73-L93 HydrophobicContact CD1-CG 4.48Å; L87-L93 HydrophobicContact CD1-CD2 4.26Å; K90-L93 WeakPolarHBondContact O-CB 3.22Å; K90-L93 PolarHBondContact O-N 3.24Å; K90-L93 VanDerWaalsContact O-N 3.14Å; R91-L93 PolarHBondContact O-N 3.4Å
94	R	97.4	Very high	95.3	Very high	164 Å²	164	87.4 Å²	87.4	62%	0.619	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	165.5	-69	-178.7	169.5	131.4	-4.9	108.9	M55 T56 K58	M55-R94 CarbonylContact C-O 3.56Å; M55-R94 WeakPolarHBondContact CA-O 3.31Å; T56-R94 PolarHBondContact N-O 3.34Å; T56-R94 PolarHBondContact O-N 3Å; K58-R94 HydrophobicContact CD-CG 4.4Å; K58-R94 VanDerWaalsContact CE-CG 3.49Å; K58-R94 HydrophobicContact CG-CG 4.01Å
95	R	97.7	Very high	95	Very high	167 Å²	167	86.2 Å²	86.2	63%	0.63	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.9	164.3	-72.8	-179	-178.9	-123.1	4.9	109.4	V53 T54 M55 P97	V53-R95 VanDerWaalsContact CG1-NH1 3.29Å; T54-R95 CarbonylContact O-C 3.45Å; T54-R95 WeakPolarHBondContact O-CA 3.43Å; M55-R95 HydrophobicContact SD-CB 4.23Å; M55-R95 HydrophobicContact SD-CG 3.43Å; M55-R95 WeakPolarHBondContact SD-CG 3.32Å; R95-P97 WeakPolarHBondContact O-CD 3.25Å
96	D	97.6	Very high	94.7	Very high	31 Å²	31	84 Å²	84	17%	0.166	41%	0.412	C	S	.	.			trans	-123.6	72.9	178.5	-166.2	-11.2	0	0	0	110.4	T54 T56 R63 N98 F99 D100	T54-D96 HydrophobicContact CG2-CB 3.99Å; T54-D96 PolarHBondContact O-N 2.83Å; T56-D96 WeakPolarHBondContact OG1-CB 3.35Å; T56-D96 PolarHBondContact OG1-OD2 2.89Å; R63-D96 IonicContact CZ-OD2 3.84Å; R63-D96 IonicContact NE-OD2 3.45Å; R63-D96 PolarHBondContact NE-OD2 3.25Å; R63-D96 IonicContact NH2-OD2 2.66Å; R63-D96 PolarHBondContact NH2-OD2 3.1Å; D96-N98 PolarHBondContact O-N 3.44Å; D96-F99 HydrophobicContact CB-CB 4.13Å; D96-F99 VanDerWaalsContact CG-CB 3.46Å; D96-F99 PolarHBondContact O-N 3.46Å; D96-F99 VanDerWaalsContact O-N 3.13Å; D96-F99 PolarHBondContact OD1-N 2.89Å; D96-D100 PolarHBondContact O-N 3.17Å
97	P	97.2	Very high	94.2	Very high	82 Å²	82	78 Å²	78	53%	0.532	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-21.6	-176.2	28.9	-36.2	0	0	0	112.9	R95 A101	R95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-A101 WeakPolarHBondContact O-CB 3.45Å; P97-A101 PolarHBondContact O-N 2.67Å
98	N	97.2	Very high	93.7	Very high	134 Å²	134	83.6 Å²	83.6	72%	0.717	42%	0.421	S	S	*	.	H	α-helix	trans	-69.2	-38	174.9	-67.2	-9.9	0	0	0	110.8	D96 L102	D96-N98 PolarHBondContact O-N 3.44Å; N98-L102 PolarHBondContact O-N 3.13Å
99	F	96	Very high	93.1	Very high	26 Å²	26	80.1 Å²	80.1	11%	0.114	40%	0.402	C	S	.	.	H	α-helix	trans	-71.9	-39.2	175.4	-155.9	-93.7	0	0	0	112.1	E41 L42 L51 T54 R63 D96 A101 L102 I103	E41-F99 WeakPolarHBondContact O-CZ 3.26Å; L42-F99 HydrophobicContact CD2-CE1 3.78Å; L42-F99 HydrophobicContact CD2-CZ 3.63Å; L51-F99 HydrophobicContact CD1-CD1 4.16Å; L51-F99 HydrophobicContact CD1-CE1 3.6Å; T54-F99 HydrophobicContact CG2-CB 4.39Å; T54-F99 HydrophobicContact CG2-CD1 4.1Å; R63-F99 VanDerWaalsContact NE-CD2 3.3Å; D96-F99 HydrophobicContact CB-CB 4.13Å; D96-F99 VanDerWaalsContact CG-CB 3.46Å; D96-F99 PolarHBondContact O-N 3.46Å; D96-F99 VanDerWaalsContact O-N 3.13Å; D96-F99 PolarHBondContact OD1-N 2.89Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 2.91Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 2.88Å; F99-I103 HydrophobicContact CD1-CD1 3.75Å; F99-I103 HydrophobicContact CD1-CG1 4.3Å; F99-I103 HydrophobicContact CE1-CD1 3.9Å; F99-I103 HydrophobicContact CE1-CG1 4.33Å; F99-I103 WeakPolarHBondContact O-CG1 3.34Å; F99-I103 PolarHBondContact O-N 3.01Å
100	D	95.4	Very high	92.4	Very high	37 Å²	37	80 Å²	80	20%	0.198	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-44.9	171.2	-69.9	-29.8	0	0	0	111.2	V53 T54 D96 L102 I103 S104	V53-D100 WeakPolarHBondContact CA-OD2 3.39Å; T54-D100 WeakPolarHBondContact CB-OD1 3.28Å; T54-D100 VanDerWaalsContact N-CG 3.31Å; T54-D100 PolarHBondContact N-OD1 2.9Å; T54-D100 PolarHBondContact N-OD2 3.17Å; T54-D100 PolarHBondContact OG1-OD1 3.34Å; D96-D100 PolarHBondContact O-N 3.17Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.31Å; D100-I103 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-N 3.27Å; D100-S104 PolarHBondContact O-OG 3.15Å
101	A	95.1	Very high	91.7	Very high	51 Å²	51	80.5 Å²	80.5	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-29.8	176.5	0	0	0	0	0	113.5	P97 F99 K105	P97-A101 WeakPolarHBondContact O-CB 3.45Å; P97-A101 PolarHBondContact O-N 2.67Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 2.91Å; A101-K105 WeakPolarHBondContact O-CG 3.27Å; A101-K105 PolarHBondContact O-N 3.28Å
102	L	92.8	Very high	91	Very high	80 Å²	80	77.2 Å²	77.2	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-68.2	-44.6	171.7	178	62.6	0	0	0	111	N98 F99 D100 S104 K105 I106	N98-L102 PolarHBondContact O-N 3.13Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 2.88Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.31Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.22Å; L102-K105 PolarHBondContact O-N 3.13Å; L102-K105 VanDerWaalsContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 3.87Å; L102-I106 HydrophobicContact CD1-CG1 4.37Å; L102-I106 HydrophobicContact CG-CD1 3.87Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.13Å; L102-I106 VanDerWaalsContact O-N 3.13Å
103	I	92.3	Very high	90.2	Very high	12 Å²	12	77 Å²	77	6%	0.062	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-47	175.5	-69	164.7	0	0	0	110.3	L42 I50 L51 F99 D100 K105 I106 Y107	L42-I103 HydrophobicContact CD2-CG1 4.01Å; I50-I103 HydrophobicContact CG2-CD1 4.47Å; I50-I103 HydrophobicContact CG2-CG2 3.6Å; L51-I103 HydrophobicContact CB-CD1 3.76Å; F99-I103 HydrophobicContact CD1-CD1 3.75Å; F99-I103 HydrophobicContact CD1-CG1 4.3Å; F99-I103 HydrophobicContact CE1-CD1 3.9Å; F99-I103 HydrophobicContact CE1-CG1 4.33Å; F99-I103 WeakPolarHBondContact O-CG1 3.34Å; F99-I103 PolarHBondContact O-N 3.01Å; D100-I103 PolarHBondContact O-N 3.49Å; I103-K105 PolarHBondContact O-N 3.23Å; I103-I106 PolarHBondContact O-N 3.45Å; I103-I106 VanDerWaalsContact O-N 3.15Å; I103-Y107 PolarHBondContact O-N 2.98Å
104	S	91.4	Very high	89.4	Confident	78 Å²	78	79.3 Å²	79.3	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-22.6	177.8	-60.8	0	0	0	0	114.5	D100 L102 P108	D100-S104 PolarHBondContact O-N 3.27Å; D100-S104 PolarHBondContact O-OG 3.15Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.22Å; S104-P108 WeakPolarHBondContact O-CA 3.29Å
105	K	90	Very high	88.8	Confident	170 Å²	170	74.3 Å²	74.3	74%	0.739	39%	0.391	S	S	*	.	H	α-helix	trans	-80.8	-34.2	173.5	-75.2	177.1	178.8	-173.7	0	112.8	A101 L102 I103	A101-K105 WeakPolarHBondContact O-CG 3.27Å; A101-K105 PolarHBondContact O-N 3.28Å; L102-K105 PolarHBondContact O-N 3.13Å; L102-K105 VanDerWaalsContact O-N 3.13Å; I103-K105 PolarHBondContact O-N 3.23Å
106	I	88.1	Confident	88	Confident	54 Å²	54	70.6 Å²	70.6	28%	0.277	38%	0.381	S	S	.	.	H	α-helix	trans	-81.7	-38.5	-179.5	-63.2	166.4	0	0	0	110.8	L38 L42 L102 I103	L38-I106 HydrophobicContact CD1-CD1 3.87Å; L38-I106 HydrophobicContact CD1-CG2 4.21Å; L42-I106 HydrophobicContact CD1-CD1 4.04Å; L42-I106 HydrophobicContact CD1-CG2 4.39Å; L102-I106 HydrophobicContact CD1-CD1 3.87Å; L102-I106 HydrophobicContact CD1-CG1 4.37Å; L102-I106 HydrophobicContact CG-CD1 3.87Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.13Å; L102-I106 VanDerWaalsContact O-N 3.13Å; I103-I106 PolarHBondContact O-N 3.45Å; I103-I106 VanDerWaalsContact O-N 3.15Å
107	Y	86.7	Confident	87.1	Confident	32 Å²	32	71.7 Å²	71.7	13%	0.125	39%	0.385	C	S	.	.			trans	-125.1	84.6	176.6	-60.7	-70.3	0	0	0	109.8	P35 L42 I50 I103 S109 Y113	P35-Y107 VanDerWaalsContact CA-OH 3.26Å; P35-Y107 WeakPolarHBondContact CA-OH 3.21Å; P35-Y107 HydrophobicContact CB-CE1 4.19Å; P35-Y107 PolarHBondContact O-OH 2.88Å; L42-Y107 HydrophobicContact CD1-CD2 4.42Å; L42-Y107 HydrophobicContact CD1-CE2 3.83Å; I50-Y107 HydrophobicContact CD1-CD2 3.74Å; I50-Y107 HydrophobicContact CD1-CE2 3.83Å; I50-Y107 HydrophobicContact CD1-CG 4.17Å; I103-Y107 PolarHBondContact O-N 2.98Å; Y107-S109 VanDerWaalsContact C-N 3.3Å; Y107-S109 PolarHBondContact O-N 3.02Å; Y107-Y113 AromaticContact CD1-CD2 3.94Å; Y107-Y113 HydrophobicContact CD1-CD2 3.94Å; Y107-Y113 AromaticContact CE1-CD2 3.6Å; Y107-Y113 HydrophobicContact CE1-CD2 3.6Å; Y107-Y113 AromaticContact CE1-CE2 3.97Å; Y107-Y113 HydrophobicContact CE1-CE2 3.97Å
108	P	84.1	Confident	86.5	Confident	117 Å²	117	72.7 Å²	72.7	76%	0.76	39%	0.386	S	S	*	.	S	Bend	trans	-61.6	-37.7	178.9	-24.3	35.2	0	0	0	112.9	S104	S104-P108 WeakPolarHBondContact O-CA 3.29Å
109	S	81.2	Confident	86	Confident	30 Å²	30	72.9 Å²	72.9	21%	0.21	38%	0.38	C	S	.	.			trans	-110.5	112.2	176.9	-175.5	0	0	0	0	109.9	Y107 E112	Y107-S109 VanDerWaalsContact C-N 3.3Å; Y107-S109 PolarHBondContact O-N 3.02Å; S109-E112 WeakPolarHBondContact CB-OE1 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.49Å; S109-E112 PolarHBondContact OG-OE1 2.73Å
110	R	78	Confident	85.4	Confident	49 Å²	49	73.5 Å²	73.5	19%	0.185	38%	0.384	C	S	.	.	H	α-helix	trans	-74.6	-38.7	177.8	-174.3	179.9	-171.6	106	11.6	111.5	D49 I50 L51 K52 E112 Y113 E114	D49-R110 IonicContact OD1-NH2 3.94Å; D49-R110 PolarHBondContact OD1-NH2 3.16Å; D49-R110 VanDerWaalsContact OD1-NH2 3.07Å; D49-R110 IonicContact OD2-CZ 2.64Å; D49-R110 IonicContact OD2-NH2 2.81Å; D49-R110 PolarHBondContact OD2-NH2 2.85Å; I50-R110 PolarHBondContact O-NH1 3.08Å; I50-R110 PolarHBondContact O-NH2 3.36Å; L51-R110 PolarHBondContact O-NH1 3.46Å; K52-R110 VanDerWaalsContact CE-NE 3.28Å; K52-R110 VanDerWaalsContact CG-CZ 3.46Å; K52-R110 VanDerWaalsContact NZ-NH2 3.1Å; R110-E112 VanDerWaalsContact C-N 3.3Å; R110-E112 PolarHBondContact O-N 3.04Å; R110-Y113 WeakPolarHBondContact O-CB 3.47Å; R110-Y113 PolarHBondContact O-N 3.24Å; R110-Y113 VanDerWaalsContact O-N 3.08Å; R110-E114 HydrophobicContact CG-CG 4.24Å; R110-E114 IonicContact CZ-OE1 2.92Å; R110-E114 IonicContact NE-OE1 2.6Å; R110-E114 PolarHBondContact NE-OE1 3.35Å; R110-E114 IonicContact NH2-OE1 3.12Å; R110-E114 PolarHBondContact O-N 3Å
111	Q	79.5	Confident	84.8	Confident	135 Å²	135	76.9 Å²	76.9	63%	0.631	40%	0.402	S	S	*	.	H	α-helix	trans	-62.7	-38.6	-176.7	-68.2	77	3.9	0	0	111	A115	Q111-A115 WeakPolarHBondContact O-CB 3.37Å; Q111-A115 PolarHBondContact O-N 3.47Å
112	E	80.3	Confident	84.4	Confident	139 Å²	139	76.9 Å²	76.9	65%	0.65	40%	0.402	S	S	*	.	H	α-helix	trans	-63.6	-40.2	172.7	-76.3	157.6	-126.7	0	0	112.3	S109 R110 H116	S109-E112 WeakPolarHBondContact CB-OE1 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.49Å; S109-E112 PolarHBondContact OG-OE1 2.73Å; R110-E112 VanDerWaalsContact C-N 3.3Å; R110-E112 PolarHBondContact O-N 3.04Å; E112-H116 WeakPolarHBondContact O-CB 3.36Å; E112-H116 PolarHBondContact O-N 3.16Å
113	Y	78.6	Confident	83.9	Confident	20 Å²	20	77.5 Å²	77.5	8%	0.078	40%	0.399	C	S	.	.	H	α-helix	trans	-65.9	-48.5	175.7	178	-86.8	0	0	0	112	P35 I50 Y107 R110 H116 Q117	P35-Y113 HydrophobicContact CB-CE2 4.21Å; I50-Y113 HydrophobicContact CD1-CD1 3.41Å; I50-Y113 VanDerWaalsContact CD1-CD1 3.41Å; I50-Y113 HydrophobicContact CD1-CD2 3.92Å; I50-Y113 HydrophobicContact CD1-CE1 3.39Å; I50-Y113 HydrophobicContact CD1-CE2 3.9Å; I50-Y113 HydrophobicContact CD1-CG 3.69Å; I50-Y113 HydrophobicContact CG1-CD1 4.12Å; I50-Y113 HydrophobicContact CG1-CE1 3.66Å; Y107-Y113 AromaticContact CD1-CD2 3.94Å; Y107-Y113 HydrophobicContact CD1-CD2 3.94Å; Y107-Y113 AromaticContact CE1-CD2 3.6Å; Y107-Y113 HydrophobicContact CE1-CD2 3.6Å; Y107-Y113 AromaticContact CE1-CE2 3.97Å; Y107-Y113 HydrophobicContact CE1-CE2 3.97Å; R110-Y113 WeakPolarHBondContact O-CB 3.47Å; R110-Y113 PolarHBondContact O-N 3.24Å; R110-Y113 VanDerWaalsContact O-N 3.08Å; Y113-H116 PolarHBondContact O-N 2.97Å; Y113-Q117 HydrophobicContact CD1-CG 4.09Å; Y113-Q117 HydrophobicContact CE1-CG 3.56Å; Y113-Q117 HydrophobicContact CE2-CG 4.45Å; Y113-Q117 WeakPolarHBondContact O-CG 3.46Å; Y113-Q117 PolarHBondContact O-N 3.25Å
114	E	81.7	Confident	83.5	Confident	57 Å²	57	81.1 Å²	81.1	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-60.3	-50.3	178.4	-72.6	175.3	165.7	0	0	109.9	K52 R110 H116 Q117 D118	K52-E114 IonicContact NZ-OE1 3.8Å; K52-E114 PolarHBondContact NZ-OE1 2.85Å; R110-E114 HydrophobicContact CG-CG 4.24Å; R110-E114 IonicContact CZ-OE1 2.92Å; R110-E114 IonicContact NE-OE1 2.6Å; R110-E114 PolarHBondContact NE-OE1 3.35Å; R110-E114 IonicContact NH2-OE1 3.12Å; R110-E114 PolarHBondContact O-N 3Å; E114-H116 VanDerWaalsContact C-N 3.3Å; E114-H116 PolarHBondContact O-N 2.77Å; E114-Q117 PolarHBondContact O-N 3.07Å; E114-Q117 VanDerWaalsContact O-N 3.12Å; E114-D118 PolarHBondContact O-N 3.47Å
115	A	83.2	Confident	83.1	Confident	59 Å²	59	82.3 Å²	82.3	49%	0.488	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-34	175.9	0	0	0	0	0	113.6	Q111 K119	Q111-A115 WeakPolarHBondContact O-CB 3.37Å; Q111-A115 PolarHBondContact O-N 3.47Å; A115-K119 WeakPolarHBondContact O-CB 3.21Å; A115-K119 PolarHBondContact O-N 2.87Å
116	H	81.1	Confident	82.7	Confident	89 Å²	89	83.7 Å²	83.7	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-71.5	-39.6	175.1	-173.1	85	0	0	0	112.2	E112 Y113 E114 I120	E112-H116 WeakPolarHBondContact O-CB 3.36Å; E112-H116 PolarHBondContact O-N 3.16Å; Y113-H116 PolarHBondContact O-N 2.97Å; E114-H116 VanDerWaalsContact C-N 3.3Å; E114-H116 PolarHBondContact O-N 2.77Å; H116-I120 WeakPolarHBondContact O-CG1 3.34Å; H116-I120 PolarHBondContact O-N 2.71Å; H116-I120 VanDerWaalsContact O-N 3.17Å
117	Q	79.5	Confident	82.3	Confident	54 Å²	54	85.2 Å²	85.2	25%	0.252	43%	0.425	S	S	.	.	H	α-helix	trans	-62.3	-43.9	171.2	-67.1	-56.5	-95.2	0	0	110.9	Y113 E114 I120 L121	Y113-Q117 HydrophobicContact CD1-CG 4.09Å; Y113-Q117 HydrophobicContact CE1-CG 3.56Å; Y113-Q117 HydrophobicContact CE2-CG 4.45Å; Y113-Q117 WeakPolarHBondContact O-CG 3.46Å; Y113-Q117 PolarHBondContact O-N 3.25Å; E114-Q117 PolarHBondContact O-N 3.07Å; E114-Q117 VanDerWaalsContact O-N 3.12Å; Q117-I120 PolarHBondContact O-N 3.38Å; Q117-L121 WeakPolarHBondContact O-CB 3.41Å; Q117-L121 PolarHBondContact O-N 2.71Å
118	D	85	Confident	82	Confident	104 Å²	104	89.7 Å²	89.7	56%	0.556	45%	0.446	S	S	*	.	H	α-helix	trans	-64.1	-41.1	178.8	-70.9	-22	0	0	0	112.1	E114 I120 L121 A122	E114-D118 PolarHBondContact O-N 3.47Å; D118-I120 VanDerWaalsContact C-N 3.32Å; D118-I120 PolarHBondContact O-N 2.96Å; D118-L121 PolarHBondContact O-N 2.83Å; D118-A122 WeakPolarHBondContact O-CB 3.4Å; D118-A122 PolarHBondContact O-N 2.86Å
119	K	86.1	Confident	81.6	Confident	138 Å²	138	89.4 Å²	89.4	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-59.6	-40.6	173.8	-171.2	-178.5	-178.6	-172.2	0	111.8	A115 R123 E402	A115-K119 WeakPolarHBondContact O-CB 3.21Å; A115-K119 PolarHBondContact O-N 2.87Å; K119-R123 WeakPolarHBondContact O-CB 3.38Å; K119-R123 PolarHBondContact O-N 3.46Å; K119-R123 VanDerWaalsContact O-N 3.13Å; K119-E402 IonicContact NZ-OE1 2.93Å
120	I	83.2	Confident	81.5	Confident	38 Å²	38	91 Å²	91	20%	0.195	45%	0.449	C	S	.	.	H	α-helix	trans	-68	-47.2	175.9	-68.6	168.7	0	0	0	110.7	H116 Q117 D118 A122 R123 L124	H116-I120 WeakPolarHBondContact O-CG1 3.34Å; H116-I120 PolarHBondContact O-N 2.71Å; H116-I120 VanDerWaalsContact O-N 3.17Å; Q117-I120 PolarHBondContact O-N 3.38Å; D118-I120 VanDerWaalsContact C-N 3.32Å; D118-I120 PolarHBondContact O-N 2.96Å; I120-A122 PolarHBondContact O-N 3.38Å; I120-R123 PolarHBondContact O-N 2.93Å; I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 WeakPolarHBondContact O-CG 3.17Å; I120-L124 PolarHBondContact O-N 3.42Å
121	L	83.6	Confident	81.4	Confident	108 Å²	108	90.8 Å²	90.8	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-63.5	-41.6	-179.5	-176.5	60	0	0	0	111.6	Q117 D118 R123 L124 N125	Q117-L121 WeakPolarHBondContact O-CB 3.41Å; Q117-L121 PolarHBondContact O-N 2.71Å; D118-L121 PolarHBondContact O-N 2.83Å; L121-R123 VanDerWaalsContact C-N 3.35Å; L121-R123 PolarHBondContact O-N 2.74Å; L121-L124 PolarHBondContact O-N 2.93Å; L121-N125 WeakPolarHBondContact O-CB 3.07Å; L121-N125 PolarHBondContact O-N 2.7Å
122	A	85.9	Confident	81.4	Confident	51 Å²	51	86.1 Å²	86.1	42%	0.421	44%	0.442	S	S	.	.	H	α-helix	trans	-62.2	-39.3	174.3	0	0	0	0	0	112.1	D118 I120 R126	D118-A122 WeakPolarHBondContact O-CB 3.4Å; D118-A122 PolarHBondContact O-N 2.86Å; I120-A122 PolarHBondContact O-N 3.38Å; A122-R126 WeakPolarHBondContact O-CB 3.41Å; A122-R126 VanDerWaalsContact O-CG 3.28Å; A122-R126 WeakPolarHBondContact O-CG 3.23Å; A122-R126 PolarHBondContact O-N 3.11Å
123	R	83.3	Confident	81.3	Confident	93 Å²	93	84.5 Å²	84.5	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-45.8	174.9	-174.8	176.1	-179.1	167	0.5	111.8	K119 I120 L121 R126 Q127 S404	K119-R123 WeakPolarHBondContact O-CB 3.38Å; K119-R123 PolarHBondContact O-N 3.46Å; K119-R123 VanDerWaalsContact O-N 3.13Å; I120-R123 PolarHBondContact O-N 2.93Å; L121-R123 VanDerWaalsContact C-N 3.35Å; L121-R123 PolarHBondContact O-N 2.74Å; R123-R126 PolarHBondContact O-N 3.03Å; R123-Q127 WeakPolarHBondContact O-CG 3.27Å; R123-Q127 PolarHBondContact O-N 3.4Å; R123-S404 PolarHBondContact NH2-OG 3.39Å
124	L	82.3	Confident	81.3	Confident	89 Å²	89	87.8 Å²	87.8	47%	0.466	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-42.7	177.4	-69.9	171	0	0	0	111.9	I120 L121 Q127 H128	I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 WeakPolarHBondContact O-CG 3.17Å; I120-L124 PolarHBondContact O-N 3.42Å; L121-L124 PolarHBondContact O-N 2.93Å; L124-Q127 PolarHBondContact O-N 2.81Å; L124-H128 PolarHBondContact O-N 2.85Å
125	N	83.5	Confident	81.1	Confident	102 Å²	102	91.6 Å²	91.6	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-41.2	177	-166.8	14.2	0	0	0	111.3	L121 Q127 H128 L129	L121-N125 WeakPolarHBondContact O-CB 3.07Å; L121-N125 PolarHBondContact O-N 2.7Å; N125-Q127 PolarHBondContact O-N 2.93Å; N125-H128 PolarHBondContact O-N 3.02Å; N125-L129 WeakPolarHBondContact O-CB 3.47Å; N125-L129 PolarHBondContact O-N 3.21Å
126	R	82.1	Confident	80.9	Confident	199 Å²	199	91.6 Å²	91.6	75%	0.751	47%	0.468	S	S	*	.	H	α-helix	trans	-56.4	-47.8	172.1	-79.6	178	178.7	-149.6	0	111.9	A122 R123 S130	A122-R126 WeakPolarHBondContact O-CB 3.41Å; A122-R126 VanDerWaalsContact O-CG 3.28Å; A122-R126 WeakPolarHBondContact O-CG 3.23Å; A122-R126 PolarHBondContact O-N 3.11Å; R123-R126 PolarHBondContact O-N 3.03Å; R126-S130 VanDerWaalsContact O-CB 3.29Å; R126-S130 WeakPolarHBondContact O-CB 3.5Å; R126-S130 PolarHBondContact O-N 3.13Å; R126-S130 PolarHBondContact O-OG 3.26Å; R126-S130 VanDerWaalsContact O-OG 3.05Å
127	Q	80.2	Confident	80.8	Confident	87 Å²	87	91.7 Å²	91.7	41%	0.407	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-41.9	178.8	-72.1	174.9	-47.1	0	0	112.7	R123 L124 N125 S130 A131	R123-Q127 WeakPolarHBondContact O-CG 3.27Å; R123-Q127 PolarHBondContact O-N 3.4Å; L124-Q127 PolarHBondContact O-N 2.81Å; N125-Q127 PolarHBondContact O-N 2.93Å; Q127-S130 PolarHBondContact O-OG 3.25Å; Q127-S130 VanDerWaalsContact O-OG 3.1Å; Q127-A131 VanDerWaalsContact O-CB 3.24Å; Q127-A131 WeakPolarHBondContact O-CB 3.2Å; Q127-A131 PolarHBondContact O-N 3.02Å
128	H	79.2	Confident	80.7	Confident	126 Å²	126	95.5 Å²	95.5	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-71.1	-41.9	179.1	-169.8	-92.1	0	0	0	112.1	L124 N125 A132	L124-H128 PolarHBondContact O-N 2.85Å; N125-H128 PolarHBondContact O-N 3.02Å; H128-A132 VanDerWaalsContact O-CB 3.27Å; H128-A132 WeakPolarHBondContact O-CB 3.39Å; H128-A132 PolarHBondContact O-N 2.96Å
129	L	77.1	Confident	80.2	Confident	110 Å²	110	97 Å²	97	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-68	-41.4	177.6	-175.9	61.9	0	0	0	111.6	N125 A132 L133	N125-L129 WeakPolarHBondContact O-CB 3.47Å; N125-L129 PolarHBondContact O-N 3.21Å; L129-A132 PolarHBondContact O-N 3.47Å; L129-L133 VanDerWaalsContact O-CB 3.26Å; L129-L133 WeakPolarHBondContact O-CB 3.15Å; L129-L133 PolarHBondContact O-N 3.17Å
130	S	79.1	Confident	79.4	Confident	64 Å²	64	96.7 Å²	96.7	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-63.3	-47.8	174.5	66.8	0	0	0	0	110.8	R126 Q127 A132 L133 T134	R126-S130 VanDerWaalsContact O-CB 3.29Å; R126-S130 WeakPolarHBondContact O-CB 3.5Å; R126-S130 PolarHBondContact O-N 3.13Å; R126-S130 PolarHBondContact O-OG 3.26Å; R126-S130 VanDerWaalsContact O-OG 3.05Å; Q127-S130 PolarHBondContact O-OG 3.25Å; Q127-S130 VanDerWaalsContact O-OG 3.1Å; S130-A132 VanDerWaalsContact C-N 3.3Å; S130-A132 PolarHBondContact O-N 2.85Å; S130-L133 PolarHBondContact O-N 2.78Å; S130-T134 WeakPolarHBondContact O-CB 3.19Å; S130-T134 PolarHBondContact O-N 2.88Å; S130-T134 PolarHBondContact O-OG1 2.94Å
131	A	75.5	Confident	78.8	Confident	44 Å²	44	101 Å²	101	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-31	178	0	0	0	0	0	113.2	Q127 R135	Q127-A131 VanDerWaalsContact O-CB 3.24Å; Q127-A131 WeakPolarHBondContact O-CB 3.2Å; Q127-A131 PolarHBondContact O-N 3.02Å; A131-R135 WeakPolarHBondContact O-CG 3.45Å; A131-R135 PolarHBondContact O-N 3.03Å; A131-R135 PolarHBondContact O-NE 3.4Å
132	A	78.6	Confident	77.8	Confident	38 Å²	38	98.4 Å²	98.4	31%	0.314	52%	0.515	S	S	.	.	H	α-helix	trans	-72.1	-45.5	172.4	0	0	0	0	0	111.9	H128 L129 S130 R135 S136	H128-A132 VanDerWaalsContact O-CB 3.27Å; H128-A132 WeakPolarHBondContact O-CB 3.39Å; H128-A132 PolarHBondContact O-N 2.96Å; L129-A132 PolarHBondContact O-N 3.47Å; S130-A132 VanDerWaalsContact C-N 3.3Å; S130-A132 PolarHBondContact O-N 2.85Å; A132-R135 PolarHBondContact O-N 2.62Å; A132-S136 PolarHBondContact O-N 2.83Å
133	L	78.8	Confident	76.6	Confident	105 Å²	105	102.5 Å²	102.5	55%	0.55	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-47.6	178.9	-173.9	68.5	0	0	0	111.4	L129 S130 R135 S136 L137	L129-L133 VanDerWaalsContact O-CB 3.26Å; L129-L133 WeakPolarHBondContact O-CB 3.15Å; L129-L133 PolarHBondContact O-N 3.17Å; S130-L133 PolarHBondContact O-N 2.78Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.8Å; L133-S136 WeakPolarHBondContact O-CB 3.09Å; L133-S136 PolarHBondContact O-N 3.33Å; L133-S136 VanDerWaalsContact O-N 3.1Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 PolarHBondContact O-N 3.33Å
134	T	79.6	Confident	75.2	Confident	89 Å²	89	105.1 Å²	105.1	55%	0.546	55%	0.55	S	S	.	*	H	α-helix	trans	-56.4	-45.8	176.7	-59.5	0	0	0	0	111.4	S130 S136 L137 E138	S130-T134 WeakPolarHBondContact O-CB 3.19Å; S130-T134 PolarHBondContact O-N 2.88Å; S130-T134 PolarHBondContact O-OG1 2.94Å; T134-S136 VanDerWaalsContact C-N 3.34Å; T134-S136 PolarHBondContact O-N 3.01Å; T134-L137 PolarHBondContact O-N 2.94Å; T134-E138 WeakPolarHBondContact O-CB 3.45Å; T134-E138 PolarHBondContact O-N 3.34Å
135	R	76.1	Confident	73.8	Confident	137 Å²	137	103.9 Å²	103.9	52%	0.517	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-37.5	176	-76.1	179.9	-70.4	171.3	-1.1	112.8	A131 A132 L133 Q139	A131-R135 WeakPolarHBondContact O-CG 3.45Å; A131-R135 PolarHBondContact O-N 3.03Å; A131-R135 PolarHBondContact O-NE 3.4Å; A132-R135 PolarHBondContact O-N 2.62Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.8Å; R135-Q139 WeakPolarHBondContact O-CB 3.33Å; R135-Q139 VanDerWaalsContact O-CG 3.28Å; R135-Q139 WeakPolarHBondContact O-CG 3.18Å; R135-Q139 PolarHBondContact O-N 3.35Å; R135-Q139 VanDerWaalsContact O-N 3.13Å
136	S	79.9	Confident	72.4	Confident	59 Å²	59	106 Å²	106	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-66.9	-38.4	175.5	-170.3	0	0	0	0	112.4	A132 L133 T134 Q140	A132-S136 PolarHBondContact O-N 2.83Å; L133-S136 WeakPolarHBondContact O-CB 3.09Å; L133-S136 PolarHBondContact O-N 3.33Å; L133-S136 VanDerWaalsContact O-N 3.1Å; T134-S136 VanDerWaalsContact C-N 3.34Å; T134-S136 PolarHBondContact O-N 3.01Å; S136-Q140 PolarHBondContact O-N 3.42Å
137	L	78.4	Confident	71	Confident	90 Å²	90	103.9 Å²	103.9	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-73.4	-41.7	-179.4	-132.1	137.8	0	0	0	111.3	L133 T134 Q139 Q140 L141	L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 PolarHBondContact O-N 3.33Å; T134-L137 PolarHBondContact O-N 2.94Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-Q139 PolarHBondContact O-N 2.93Å; L137-Q140 PolarHBondContact O-N 3.14Å; L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 HydrophobicContact CD2-CG 4.47Å; L137-L141 WeakPolarHBondContact O-CG 3.19Å; L137-L141 PolarHBondContact O-N 3.48Å
138	E	77.6	Confident	69	Low	135 Å²	135	106.8 Å²	106.8	63%	0.631	59%	0.593	S	S	*	*	H	α-helix	trans	-61.2	-39.7	173.7	-171.6	176.4	-165.7	0	0	111.9	T134 L141 G142	T134-E138 WeakPolarHBondContact O-CB 3.45Å; T134-E138 PolarHBondContact O-N 3.34Å; E138-L141 PolarHBondContact O-N 3.2Å; E138-G142 PolarHBondContact O-N 3.43Å
139	Q	75	Confident	67.1	Low	134 Å²	134	107.2 Å²	107.2	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-65.2	-41.3	173.8	-75.2	176.7	9.6	0	0	112.9	R135 L137 L143	R135-Q139 WeakPolarHBondContact O-CB 3.33Å; R135-Q139 VanDerWaalsContact O-CG 3.28Å; R135-Q139 WeakPolarHBondContact O-CG 3.18Å; R135-Q139 PolarHBondContact O-N 3.35Å; R135-Q139 VanDerWaalsContact O-N 3.13Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-Q139 PolarHBondContact O-N 2.93Å; Q139-L143 WeakPolarHBondContact O-CD1 3.35Å; Q139-L143 VanDerWaalsContact O-CG 3.25Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 3.14Å
140	Q	69.3	Low	65.5	Low	133 Å²	133	108.4 Å²	108.4	62%	0.621	62%	0.616	S	S	*	*	H	α-helix	trans	-66.6	-40.1	176.3	-78	-176.4	-12.1	0	0	112.7	S136 L137	S136-Q140 PolarHBondContact O-N 3.42Å; L137-Q140 PolarHBondContact O-N 3.14Å
141	L	69.9	Low	63.8	Low	127 Å²	127	112 Å²	112	67%	0.665	64%	0.635	S	S	*	*	H	α-helix	trans	-70	-37.8	177.2	-67.6	172.7	0	0	0	112.1	L137 E138 L143	L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 HydrophobicContact CD2-CG 4.47Å; L137-L141 WeakPolarHBondContact O-CG 3.19Å; L137-L141 PolarHBondContact O-N 3.48Å; E138-L141 PolarHBondContact O-N 3.2Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-L143 PolarHBondContact O-N 3.38Å
142	G	62.9	Low	62	Low	54 Å²	54	117.7 Å²	117.7	56%	0.557	66%	0.66	S	S	*	*	H	α-helix	trans	-69.8	-22.6	179.2	0	0	0	0	0	115.1	E138	E138-G142 PolarHBondContact O-N 3.43Å
143	L	59.7	Low	60.6	Low	137 Å²	137	121 Å²	121	72%	0.717	68%	0.68	S	S	*	*	H	α-helix	trans	-89.8	-21.2	-178.6	-69.6	171.6	0	0	0	113.9	Q139 L141	Q139-L143 WeakPolarHBondContact O-CD1 3.35Å; Q139-L143 VanDerWaalsContact O-CG 3.25Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 3.14Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-L143 PolarHBondContact O-N 3.38Å
144	N	55.1	Low	59	Low	148 Å²	148	120.5 Å²	120.5	79%	0.791	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-3.7	-178.2	-74	4	0	0	0	114.4
145	G	51.5	Low	57.4	Low	63 Å²	63	123.4 Å²	123.4	65%	0.649	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-11.2	-172	0	0	0	0	0	117.6
146	N	55.9	Low	56	Low	147 Å²	147	121.7 Å²	121.7	79%	0.786	71%	0.707	S	S	*	*	S	Bend	trans	-108.4	7.7	-162.1	-88.4	2.1	0	0	0	117
147	N	50.8	Low	54.4	Low	155 Å²	155	123.7 Å²	123.7	83%	0.829	72%	0.721	S	S	*	*	S	Bend	trans	-103.9	23.3	-172.6	-78.6	-10.4	0	0	0	115.5
148	N	39.8	Very low	52.7	Low	148 Å²	148	131.1 Å²	131.1	79%	0.791	74%	0.743	S	S	*	*	S	Bend	trans	-138.4	142.3	175.5	-97.6	-38.8	0	0	0	113.7
149	T	38.1	Very low	51.3	Low	134 Å²	134	130.7 Å²	130.7	82%	0.822	76%	0.755	S	S	*	*			trans	71.8	61.3	159.6	56.8	0	0	0	0	121
150	T	44.4	Very low	49.7	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	77%	0.766	S	S	*	*			trans	-151.8	131.9	139.5	51.9	0	0	0	0	107
151	T	42.2	Very low	48.5	Very low	138 Å²	138	136 Å²	136	85%	0.847	78%	0.775	S	S	*	*			cis	-147.2	137.5	31.1	48.7	0	0	0	0	111.7
152	N	39.3	Very low	47.3	Very low	165 Å²	165	134.5 Å²	134.5	88%	0.882	78%	0.775	S	S	*	*			trans	-113.7	102.2	170.7	-159	16	0	0	0	108.6
153	S	49.1	Very low	46.7	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	78%	0.783	S	S	*	*			trans	-175.6	119.5	163.8	-84.6	0	0	0	0	113.5
154	S	44.7	Very low	46	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	78%	0.783	S	S	*	*			trans	34	107.7	145.6	61.9	0	0	0	0	120.4
155	N	45.6	Very low	45.3	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	78%	0.782	S	S	*	*				171.5	145.8	89.5	-98.1	-25.8	0	0	0	115
156	S	46.4	Very low	44.8	Very low	100 Å²	100	136.7 Å²	136.7	70%	0.699	79%	0.786	S	S	*	*			trans	48.7	106.5	143.1	-59.8	0	0	0	0	122
157	S	46.5	Very low	44.1	Very low	102 Å²	102	140 Å²	140	71%	0.713	79%	0.787	S	S	*	*				80.8	116.6	123.7	67	0	0	0	0	121.9
158	R	43.2	Very low	43.8	Very low	245 Å²	245	137.7 Å²	137.7	93%	0.925	78%	0.775	S	S	*	*			trans	64.1	108.6	136	-63.3	171.9	168.3	174.8	-5.1	118.4
159	S	48	Very low	44.1	Very low	126 Å²	126	138.4 Å²	138.4	88%	0.881	77%	0.774	S	S	*	*				-167	165.4	88.8	-160.4	0	0	0	0	111.8
160	R	41.8	Very low	44.2	Very low	227 Å²	227	137.1 Å²	137.1	86%	0.857	77%	0.766	S	S	*	*			trans	-109.8	142.2	-175.1	-66.7	171.8	172.7	155.2	-5.5	111.9
161	N	44.7	Very low	43.8	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	76%	0.759	S	S	*	*				176.6	126.7	127.9	-88.4	-10.3	0	0	0	107.5
162	S	44.5	Very low	43.6	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	76%	0.759	S	S	*	*				58.6	117.9	66.1	-154.9	0	0	0	0	110.1
163	T	48.6	Very low	43.5	Very low	118 Å²	118	136.5 Å²	136.5	72%	0.724	76%	0.756	S	S	*	*			cis	-159.6	-179	19.9	-10	0	0	0	0	106.4
164	N	45.7	Very low	43.1	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	76%	0.763	S	S	*	*			cis	-150.5	163	18.4	-151.9	18.6	0	0	0	115.8
165	T	40	Very low	42.8	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	77%	0.77	S	S	*	*			trans	-52	159.7	175.7	57.4	0	0	0	0	120.8
166	G	42.4	Very low	42.5	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	77%	0.773	S	S	*	*			trans	153.3	87.3	161.8	0	0	0	0	0	112
167	R	40.6	Very low	42.1	Very low	216 Å²	216	140.8 Å²	140.8	82%	0.815	78%	0.784	S	S	*	*				68.2	120.5	61.7	-145.5	-154.8	166.9	139.7	-0.9	110.9
168	N	43.7	Very low	41.5	Very low	108 Å²	108	139.2 Å²	139.2	58%	0.578	78%	0.784	S	S	*	*			cis	-144.7	154.7	34	-83.5	-65.3	0	0	0	110.2
169	Q	46.2	Very low	41.2	Very low	163 Å²	163	131.6 Å²	131.6	76%	0.762	78%	0.782	S	S	*	*				56.1	133.8	78.1	-91.8	-175.5	57.6	0	0	113.6
170	T	39.7	Very low	40.6	Very low	107 Å²	107	132 Å²	132	66%	0.656	78%	0.779	S	S	*	*			cis	-165.1	141.9	19.2	-85.6	0	0	0	0	113.6
171	V	36.1	Very low	40.7	Very low	116 Å²	116	126.5 Å²	126.5	70%	0.703	78%	0.775	S	S	*	*			trans	17.1	127.4	142.7	-169.8	0	0	0	0	120.8
172	N	38.1	Very low	40.3	Very low	158 Å²	158	128 Å²	128	85%	0.845	78%	0.777	S	S	*	*				-167.8	140.1	117.5	-113	-11.1	0	0	0	115.4
173	N	37	Very low	40.1	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	78%	0.777	S	S	*	*			trans	-82.6	153.4	168.6	-66.4	-30.6	0	0	0	110.4
174	N	42.4	Very low	39.8	Very low	166 Å²	166	131.9 Å²	131.9	89%	0.888	78%	0.784	S	S	*	*			trans	-154	138.4	136.2	-139	3.8	0	0	0	113
175	S	37.6	Very low	39.2	Very low	119 Å²	119	131.6 Å²	131.6	83%	0.832	79%	0.787	S	S	*	*			trans	-87.1	145.4	173.8	-57.5	0	0	0	0	110.7
176	G	39.7	Very low	39.1	Very low	83 Å²	83	133.7 Å²	133.7	86%	0.856	79%	0.793	S	S	*	*			trans	-138.9	114.3	174.1	0	0	0	0	0	110.5
177	N	37.9	Very low	39.1	Very low	174 Å²	174	134.7 Å²	134.7	93%	0.93	80%	0.795	S	S	*	*			trans	-105.8	154.9	-174.4	176.8	37.2	0	0	0	111.3
178	G	33.5	Very low	38.9	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	79%	0.788	S	S	*	*			trans	116.2	125.1	155.1	0	0	0	0	0	116.4
179	G	38	Very low	38.7	Very low	84 Å²	84	130.2 Å²	130.2	87%	0.866	80%	0.801	S	S	*	*			trans	168.3	77.5	174	0	0	0	0	0	113.5
180	T	34.7	Very low	38.5	Very low	134 Å²	134	127.7 Å²	127.7	82%	0.822	80%	0.801	S	S	*	*			trans	-98.6	137.7	-175.9	46.8	0	0	0	0	113.8
181	S	43.2	Very low	38.4	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	81%	0.812	S	S	*	*			trans	-177.2	116	150.1	-72.8	0	0	0	0	106
182	E	37.6	Very low	38.4	Very low	183 Å²	183	135 Å²	135	86%	0.855	82%	0.821	S	S	*	*				54.7	133.1	63.4	-61	-160.6	-178.9	0	0	113.7
183	V	38.7	Very low	38.3	Very low	108 Å²	108	135.9 Å²	135.9	66%	0.655	82%	0.82	S	S	*	*			cis	-158.7	148.3	-9.9	134.7	0	0	0	0	105.6
184	H	42.5	Very low	38.3	Very low	188 Å²	188	135.1 Å²	135.1	87%	0.87	82%	0.82	S	S	*	*			trans	-177	125.3	134	-106.7	-73.9	0	0	0	112.3
185	T	33	Very low	37.9	Very low	129 Å²	129	132.4 Å²	132.4	79%	0.791	81%	0.812	S	S	*	*			trans	-107.2	144	178.2	48.5	0	0	0	0	111.1
186	D	38.4	Very low	37.9	Very low	167 Å²	167	132 Å²	132	89%	0.893	81%	0.809	S	S	*	*			trans	-153.7	161.7	139.5	-149.4	-7.1	0	0	0	112
187	A	42.4	Very low	37.7	Very low	93 Å²	93	134.5 Å²	134.5	77%	0.769	80%	0.803	S	S	*	*			trans	-72	166.3	-168.4	0	0	0	0	0	115.1
188	G	35.9	Very low	37.4	Very low	65 Å²	65	134.8 Å²	134.8	67%	0.67	80%	0.796	S	S	*	*			cis	160.6	-152.1	-2.3	0	0	0	0	0	111.6
189	I	41.1	Very low	37.5	Very low	164 Å²	164	139.6 Å²	139.6	84%	0.841	80%	0.802	S	S	*	*			trans	93.5	99.2	166.8	-51	166.3	0	0	0	117.4
190	S	41.3	Very low	37.2	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	80%	0.796	S	S	*	*			trans	62.3	112.5	146.4	67.9	0	0	0	0	121.8
191	E	36.6	Very low	37.2	Very low	186 Å²	186	142.4 Å²	142.4	87%	0.869	80%	0.8	S	S	*	*			trans	-80.5	151.8	158.6	-56.7	151.4	148.6	0	0	110.7
192	E	37.1	Very low	36.6	Very low	191 Å²	191	140.9 Å²	140.9	89%	0.893	80%	0.802	S	S	*	*			trans	-136.4	115.4	141.7	-89.7	-143.1	142.1	0	0	108.6
193	E	35.9	Very low	36.3	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	80%	0.804	S	S	*	*			trans	-96.9	138.7	163.1	-70.1	-158.2	140.3	0	0	109.8
194	T	37.6	Very low	36	Very low	134 Å²	134	138 Å²	138	82%	0.822	81%	0.812	S	S	*	*			trans	-133.8	107.6	159.7	38.1	0	0	0	0	110.2
195	P	34	Very low	35.7	Very low	109 Å²	109	135 Å²	135	71%	0.708	81%	0.812	S	S	*	*			trans	-100.7	133.6	174.1	35.3	-30	0	0	0	112.1
196	S	37.4	Very low	35.7	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	82%	0.815	S	S	*	*			trans	157.5	155.4	163	43	0	0	0	0	109.5
197	N	34.4	Very low	35.5	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	82%	0.817	S	S	*	*			cis	-167.7	139.4	-30.5	-121.5	-16.2	0	0	0	107.3
198	F	31.9	Very low	35	Very low	180 Å²	180	144.8 Å²	144.8	79%	0.789	82%	0.824	S	S	*	*			trans	65	152.9	164.2	-67.4	-123.5	0	0	0	114.8
199	M	36.8	Very low	35.1	Very low	171 Å²	171	148.6 Å²	148.6	84%	0.842	83%	0.834	S	S	*	*			cis	-152.4	145.7	17.9	-142.2	148.5	64	0	0	110.9
200	S	31.1	Very low	34.6	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	83%	0.833	S	S	*	*			trans	-74.7	144	175.8	-58.9	0	0	0	0	113.1
201	N	33.4	Very low	34.4	Very low	171 Å²	171	146.7 Å²	146.7	91%	0.914	84%	0.836	S	S	*	*				174	141.8	123.2	-88.4	-21.3	0	0	0	112.1
202	G	32.3	Very low	34.3	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	83%	0.833	S	S	*	*			trans	154.4	62.3	173.5	0	0	0	0	0	115.3
203	A	31.1	Very low	34.3	Very low	107 Å²	107	140.3 Å²	140.3	88%	0.884	83%	0.827	S	S	*	*			trans	-96.1	130.7	178.4	0	0	0	0	0	112.4
204	C	32.7	Very low	34.5	Very low	123 Å²	123	140.5 Å²	140.5	83%	0.831	83%	0.828	S	S	*	*			trans	-145.9	91.6	165.1	54.5	0	0	0	0	114
205	S	35.5	Very low	34.3	Very low	126 Å²	126	142.7 Å²	142.7	88%	0.881	83%	0.829	S	S	*	*			trans	31.6	98.6	143.2	-57.4	0	0	0	0	120.9
206	A	32.4	Very low	34.5	Very low	102 Å²	102	144 Å²	144	84%	0.843	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-81.6	131.1	155.9	0	0	0	0	0	111.5
207	R	34.8	Very low	34.6	Very low	247 Å²	247	144.4 Å²	144.4	93%	0.932	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-82.3	131.3	170.2	-77.4	-173	174.4	-153.2	-0.2	110.7
208	R	31.2	Very low	34.5	Very low	245 Å²	245	145.4 Å²	145.4	93%	0.925	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-76.5	143.7	171.2	-65.3	-179.2	179.3	-178.4	-0.7	111
209	V	38.1	Very low	35	Very low	145 Å²	145	144.8 Å²	144.8	88%	0.879	84%	0.842	S	S	*	*			trans	-132.3	127.5	155.2	-152.7	0	0	0	0	108
210	S	31.3	Very low	35	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	84%	0.838	S	S	*	*			trans	-79.3	144.2	-170	-51.2	0	0	0	0	112.6
211	S	37.7	Very low	35.6	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	85%	0.845	S	S	*	*			trans	-139.5	134	158.2	42.9	0	0	0	0	110.5
212	T	34.3	Very low	35.8	Very low	132 Å²	132	142.9 Å²	142.9	81%	0.81	84%	0.841	S	S	*	*			trans	-82	136.2	-167.4	-45.6	0	0	0	0	111.1
213	S	35.9	Very low	36.3	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	85%	0.846	S	S	*	*			trans	-111.7	127.8	175.3	-167.8	0	0	0	0	110.4
214	H	40.4	Very low	36.6	Very low	179 Å²	179	149 Å²	149	83%	0.829	84%	0.843	S	S	*	*			trans	-96.3	131.1	167.7	-84.2	-75.4	0	0	0	109.9
215	Q	32.7	Very low	36.9	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	83%	0.834	S	S	*	*			trans	-74.3	161.6	175.4	-60.8	166.9	-21.7	0	0	111.2
216	V	39	Very low	37.4	Very low	135 Å²	135	148.4 Å²	148.4	82%	0.818	83%	0.833	S	S	*	*				-170.3	100.1	127.1	159.8	0	0	0	0	109.1
217	T	39.9	Very low	37.8	Very low	121 Å²	121	149.9 Å²	149.9	74%	0.742	83%	0.827	S	S	*	*			trans	37	124.6	140.5	64.8	0	0	0	0	122.7
218	N	32.7	Very low	38	Very low	157 Å²	157	143.3 Å²	143.3	84%	0.84	81%	0.814	S	S	*	*			trans	-75.9	158.2	154.1	-59.5	-30.1	0	0	0	111.1
219	N	41.3	Very low	38.2	Very low	166 Å²	166	138.6 Å²	138.6	89%	0.888	81%	0.807	S	S	*	*			trans	-141.4	147.5	149.3	-88.4	-26.2	0	0	0	109
220	S	37.9	Very low	38.1	Very low	107 Å²	107	137 Å²	137	75%	0.748	80%	0.802	S	S	*	*			trans	-135	133.8	-176.6	51.5	0	0	0	0	108.5
221	D	43.6	Very low	38.5	Very low	166 Å²	166	139.5 Å²	139.5	89%	0.888	81%	0.805	S	S	*	*			trans	-141	150.5	170.8	-81.6	-54.8	0	0	0	111.3
222	T	37.3	Very low	38.4	Very low	134 Å²	134	136.6 Å²	136.6	82%	0.822	79%	0.794	S	S	*	*			trans	-117.1	147	-169.4	49.4	0	0	0	0	111.5
223	E	42	Very low	38.4	Very low	198 Å²	198	138.9 Å²	138.9	93%	0.925	80%	0.795	S	S	*	*			trans	-155.3	170	149.4	-125.6	-179	144.5	0	0	113.4
224	S	38.3	Very low	38.3	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	79%	0.789	S	S	*	*			trans	-140.1	164.5	-150	53	0	0	0	0	115.6
225	G	38.6	Very low	38.3	Very low	63 Å²	63	136.4 Å²	136.4	65%	0.649	79%	0.789	S	S	*	*			trans	140.7	121.5	167.3	0	0	0	0	0	112.4
226	M	46.1	Very low	38.5	Very low	173 Å²	173	132.1 Å²	132.1	85%	0.852	78%	0.778	S	S	*	*				68.1	125.2	64	-70.5	146.9	178.7	0	0	111.5
227	D	40.4	Very low	38.5	Very low	134 Å²	134	132.2 Å²	132.2	72%	0.717	78%	0.779	S	S	*	*			cis	-156.7	145.9	18.3	-86.2	-42.2	0	0	0	115.8
228	T	38.8	Very low	38.5	Very low	108 Å²	108	131.1 Å²	131.1	66%	0.663	78%	0.777	S	S	*	*			trans	52.2	158.2	131.1	75.7	0	0	0	0	127.3
229	N	36.3	Very low	38.7	Very low	146 Å²	146	130.9 Å²	130.9	78%	0.781	78%	0.775	S	S	*	*			trans	82.7	115.8	166.2	-50.2	-46	0	0	0	116.8
230	S	35.8	Very low	38.3	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	77%	0.768	S	S	*	*			cis	92.9	150.3	25.2	-158	0	0	0	0	115.6
231	I	39.5	Very low	38.3	Very low	170 Å²	170	130 Å²	130	87%	0.872	77%	0.767	S	S	*	*			trans	78	130.2	-169.2	-49.7	165.5	0	0	0	113.5
232	G	35	Very low	37.8	Very low	58 Å²	58	127.3 Å²	127.3	60%	0.598	76%	0.757	S	S	*	*			cis	158.7	131.1	-8.8	0	0	0	0	0	113
233	E	35.2	Very low	37.8	Very low	179 Å²	179	127.9 Å²	127.9	84%	0.836	75%	0.754	S	S	*	*			trans	62.1	170.8	156.2	-43.7	-170.2	160.3	0	0	117.3
234	N	34.5	Very low	37.4	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	75%	0.749	S	S	*	*			cis	-157.6	150.2	-6.1	18.3	51.2	0	0	0	110.1
235	S	39.1	Very low	36.9	Very low	117 Å²	117	130.8 Å²	130.8	82%	0.818	75%	0.747	S	S	*	*			trans	60	158.5	145.5	-58.9	0	0	0	0	122.1
236	S	37.1	Very low	36.7	Very low	90 Å²	90	139.7 Å²	139.7	63%	0.629	76%	0.761	S	S	*	*			cis	-179.2	152.4	-26.1	59.5	0	0	0	0	109.9
237	V	38.5	Very low	36.1	Very low	137 Å²	137	137.4 Å²	137.4	83%	0.83	75%	0.753	S	S	*	*			trans	59.5	151.8	164.5	-49.9	0	0	0	0	117
238	S	41	Very low	35.8	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	76%	0.755	S	S	*	*			cis	-159.8	174.4	1.9	4.3	0	0	0	0	107.5
239	D	35.8	Very low	35.7	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	76%	0.757	S	S	*	*			cis	-156.9	-166.1	1	-135.7	-69.3	0	0	0	112.6
240	L	33	Very low	35.7	Very low	140 Å²	140	136.4 Å²	136.4	73%	0.733	76%	0.756	S	S	*	*			trans	-119.3	-164.2	171.4	-85.5	157	0	0	0	109.8	V242	L240-V242 HydrophobicContact CD2-CG2 4.1Å
241	P	38.1	Very low	35.8	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	76%	0.759	S	S	*	*			cis	-130.1	158.8	-1	21.5	5.4	0	0	0	116.3
242	V	34.5	Very low	35.6	Very low	111 Å²	111	131.7 Å²	131.7	67%	0.673	75%	0.749	S	S	*	*				75.7	143.6	77.9	-159.9	0	0	0	0	117.1	L240	L240-V242 HydrophobicContact CD2-CG2 4.1Å
243	L	35.5	Very low	35.7	Very low	145 Å²	145	134.8 Å²	134.8	76%	0.759	76%	0.761	S	S	*	*			trans	88.1	144.9	168.7	-45.8	177.8	0	0	0	116.6
244	H	35.4	Very low	35.8	Very low	177 Å²	177	131.1 Å²	131.1	82%	0.819	76%	0.756	S	S	*	*			cis	-153.6	172.9	2.2	-136.3	-143.2	0	0	0	114.4
245	Y	27	Very low	35.9	Very low	200 Å²	200	133.1 Å²	133.1	78%	0.784	76%	0.763	S	S	*	*			trans	-95.2	141.6	-173.8	-136.4	-95.5	0	0	0	113
246	R	33.7	Very low	35.8	Very low	250 Å²	250	137.6 Å²	137.6	94%	0.943	77%	0.768	S	S	*	*			trans	-171.9	158	136.4	-113.6	174.1	175.5	167.7	-1.2	115.5
247	N	33.9	Very low	35.5	Very low	126 Å²	126	139 Å²	139	67%	0.674	77%	0.773	S	S	*	*			trans	-93.3	162.7	-168.6	-67	-22.6	0	0	0	114.7
248	N	33.8	Very low	35.4	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	77%	0.77	S	S	*	*				112.9	137.3	127.4	-101.6	11.3	0	0	0	121.3
249	T	37.9	Very low	35.3	Very low	114 Å²	114	139.9 Å²	139.9	70%	0.699	78%	0.775	S	S	*	*			trans	77.8	104	146.5	45.6	0	0	0	0	121.8
250	S	36.7	Very low	35.3	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	77%	0.774	S	S	*	*				83.5	134.7	122.9	60.8	0	0	0	0	122.2
251	A	36.7	Very low	35.3	Very low	101 Å²	101	134.5 Å²	134.5	84%	0.835	78%	0.78	S	S	*	*			trans	65.8	155.3	160.4	0	0	0	0	0	117.2
252	A	36.1	Very low	35.1	Very low	81 Å²	81	132.2 Å²	132.2	67%	0.669	78%	0.777	S	S	*	*			cis	-168.9	151.6	-29.6	0	0	0	0	0	106.6
253	S	36.1	Very low	35.2	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	79%	0.786	S	S	*	*			trans	64.4	160.6	172.3	-53	0	0	0	0	114.3
254	S	36.8	Very low	35.2	Very low	102 Å²	102	131.2 Å²	131.2	71%	0.713	79%	0.786	S	S	*	*			cis	-151.3	148.4	-10	38.8	0	0	0	0	109
255	M	37.9	Very low	35.1	Very low	165 Å²	165	130.6 Å²	130.6	81%	0.813	79%	0.789	S	S	*	*			trans	18.7	128.4	141.8	-50	-177.9	-176.6	0	0	118.9
256	F	36.3	Very low	35.4	Very low	211 Å²	211	125.3 Å²	125.3	93%	0.925	78%	0.782	S	S	*	*				-159.8	150.2	111.6	-105	-69.7	0	0	0	112.2
257	T	30.8	Very low	35.4	Very low	120 Å²	120	120.5 Å²	120.5	74%	0.736	78%	0.775	S	S	*	*			trans	-119.3	134.5	-166.8	-31.2	0	0	0	0	109.7
258	T	37.1	Very low	35.4	Very low	124 Å²	124	122.9 Å²	122.9	76%	0.761	78%	0.781	S	S	*	*			trans	-176	116.5	150.4	20.8	0	0	0	0	109.4
259	T	37.4	Very low	35.6	Very low	129 Å²	129	120.1 Å²	120.1	79%	0.791	77%	0.771	S	S	*	*				60.4	143.8	98.6	64.2	0	0	0	0	116.1
260	A	36.6	Very low	35.3	Very low	95 Å²	95	122 Å²	122	79%	0.785	77%	0.771	S	S	*	*			cis	-172.9	159.9	-15.2	0	0	0	0	0	109
261	G	33.7	Very low	35.2	Very low	83 Å²	83	123.3 Å²	123.3	86%	0.856	78%	0.775	S	S	*	*			trans	76.1	153.1	170	0	0	0	0	0	115.5
262	G	34.2	Very low	35.1	Very low	66 Å²	66	126 Å²	126	68%	0.68	77%	0.771	S	S	*	*			cis	179.6	157.4	-6	0	0	0	0	0	110.8
263	V	36.1	Very low	34.9	Very low	143 Å²	143	133.6 Å²	133.6	87%	0.867	78%	0.784	S	S	*	*			trans	20	106.6	159.3	-83.1	0	0	0	0	117.9
264	A	34.9	Very low	34.8	Very low	93 Å²	93	134.6 Å²	134.6	77%	0.769	78%	0.779	S	S	*	*				75.4	115.6	80.8	0	0	0	0	0	114.2
265	D	33.5	Very low	34.5	Very low	163 Å²	163	135.9 Å²	135.9	87%	0.872	79%	0.787	S	S	*	*			trans	-150.2	161.6	135.9	-144.6	-18.2	0	0	0	111.3
266	S	33.6	Very low	34.3	Very low	90 Å²	90	133 Å²	133	63%	0.629	78%	0.783	S	S	*	*			trans	-126.3	150.4	-177.5	-56.5	0	0	0	0	110.8
267	N	34	Very low	34.3	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	78%	0.776	S	S	*	*			trans	131	141.9	139.5	-66.1	-52.8	0	0	0	116.6
268	H	34.1	Very low	34.3	Very low	175 Å²	175	132.8 Å²	132.8	81%	0.81	78%	0.784	S	S	*	*			trans	89.4	154.3	145	-113.2	34	0	0	0	119.6
269	P	36.8	Very low	34.2	Very low	86 Å²	86	135.8 Å²	135.8	56%	0.558	78%	0.781	S	S	*	*				-142.1	-176.1	-84.3	44.2	-28.5	0	0	0	117
270	H	31.8	Very low	34	Very low	152 Å²	152	137.3 Å²	137.3	70%	0.704	79%	0.785	S	S	*	*			trans	62	117.2	146	-91.3	-77.1	0	0	0	121.8
271	T	34.5	Very low	33.8	Very low	139 Å²	139	138.5 Å²	138.5	85%	0.853	78%	0.777	S	S	*	*			trans	-178.5	87.7	132.1	24	0	0	0	0	107.7
272	Q	34.5	Very low	34	Very low	157 Å²	157	142.6 Å²	142.6	73%	0.734	78%	0.777	S	S	*	*				39.9	108.4	102.4	-82.4	-170.9	-11.9	0	0	116.6
273	Y	33.1	Very low	33.9	Very low	240 Å²	240	145.5 Å²	145.5	94%	0.941	78%	0.777	S	S	*	*			trans	-145.2	136.1	138.9	-107.2	-82.7	0	0	0	109
274	N	32.4	Very low	33.9	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	77%	0.766	S	S	*	*			trans	-92.7	150.1	-174	-85.9	-18.9	0	0	0	112.6
275	C	31.4	Very low	34	Very low	130 Å²	130	146.7 Å²	146.7	88%	0.878	77%	0.765	S	S	*	*			trans	-143.4	126.3	133.6	63.6	0	0	0	0	109.7
276	S	33.9	Very low	34.1	Very low	104 Å²	104	146 Å²	146	73%	0.727	76%	0.762	S	S	*	*			trans	-93.3	131	-176	-69.2	0	0	0	0	112.2
277	M	36.7	Very low	33.9	Very low	160 Å²	160	149.1 Å²	149.1	79%	0.788	77%	0.772	S	S	*	*			trans	23.7	129.2	134.3	-59.1	-161.6	-177.9	0	0	121	R279	M277-R279 HydrophobicContact SD-CB 4.44Å; M277-R279 HydrophobicContact SD-CG 4.14Å
278	D	30.6	Very low	34.2	Very low	167 Å²	167	147.5 Å²	147.5	89%	0.893	77%	0.772	S	S	*	*			trans	-104.1	128.2	132.3	-100.6	-50.6	0	0	0	110
279	R	34.8	Very low	34.4	Very low	186 Å²	186	144.7 Å²	144.7	70%	0.702	77%	0.772	S	S	*	*			trans	-148.7	96.1	-178.3	-104.7	-90.5	-171.1	166.6	1.8	108.8	M277 I281	M277-R279 HydrophobicContact SD-CB 4.44Å; M277-R279 HydrophobicContact SD-CG 4.14Å; R279-I281 PolarHBondContact O-N 3.45Å
280	N	33.3	Very low	34.2	Very low	162 Å²	162	146 Å²	146	87%	0.866	78%	0.783	S	S	*	*			trans	-81.8	109.9	167.1	-88.2	-41.1	0	0	0	110.3
281	I	31.5	Very low	34.5	Very low	120 Å²	120	146.7 Å²	146.7	62%	0.615	79%	0.79	S	S	*	*			trans	-113.2	126.5	162.5	-67.6	172.2	0	0	0	105.6	R279	R279-I281 PolarHBondContact O-N 3.45Å
282	I	39.3	Very low	34.4	Very low	169 Å²	169	146.7 Å²	146.7	87%	0.867	78%	0.784	S	S	*	*			trans	-106.5	120.4	161.6	-64	-179	0	0	0	107.4
283	N	31.5	Very low	34.5	Very low	127 Å²	127	147.6 Å²	147.6	68%	0.679	79%	0.788	S	S	*	*			trans	-102	-173.7	175.9	-167.4	19.3	0	0	0	109
284	N	36.5	Very low	34.4	Very low	119 Å²	119	142.3 Å²	142.3	64%	0.636	78%	0.776	S	S	*	*			trans	81.7	141.6	165	-60.1	-1.4	0	0	0	115.7
285	N	36.8	Very low	34.3	Very low	141 Å²	141	142.8 Å²	142.8	75%	0.754	78%	0.779	S	S	*	*			cis	-150.7	149.7	2	-111.2	-16.3	0	0	0	112.5
286	N	34.3	Very low	34.5	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	77%	0.773	S	S	*	*			trans	-79.6	132.4	160.2	-69.1	-45	0	0	0	109.6
287	N	31	Very low	34.4	Very low	156 Å²	156	144.5 Å²	144.5	83%	0.834	78%	0.78	S	S	*	*			trans	173	121.7	142	-95.6	-21.9	0	0	0	111.3
288	S	39.8	Very low	34.3	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	78%	0.781	S	S	*	*			trans	-173	96	139.1	-83.6	0	0	0	0	111.7
289	S	38.3	Very low	34.4	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	78%	0.783	S	S	*	*			trans	53.9	110.5	130.6	-48.5	0	0	0	0	120.6
290	S	32.7	Very low	34.4	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	79%	0.786	S	S	*	*			trans	-48.6	144.8	152.6	52.6	0	0	0	0	114.5
291	I	37.4	Very low	34.6	Very low	168 Å²	168	135.9 Å²	135.9	86%	0.862	78%	0.783	S	S	*	*			trans	-154.9	143	138.3	-97.2	143.8	0	0	0	108.1
292	L	33.3	Very low	35	Very low	138 Å²	138	138.7 Å²	138.7	72%	0.723	80%	0.796	S	S	*	*			trans	-75.2	156.6	-177	-54.7	111.2	0	0	0	111.9
293	H	35.3	Very low	34.9	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.815	80%	0.799	S	S	*	*				-177.9	147.6	109.3	-94	87.9	0	0	0	113.9
294	N	31.8	Very low	35.1	Very low	129 Å²	129	138 Å²	138	69%	0.69	80%	0.801	S	S	*	*			trans	-63.5	160	-168.1	-56.1	-37.7	0	0	0	118.1
295	N	31	Very low	35.7	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	81%	0.807	S	S	*	*			trans	64.5	141.9	145.7	-74.8	-7.5	0	0	0	117.9
296	S	34.9	Very low	36.4	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	80%	0.803	S	S	*	*			cis	-149.8	166.3	14.5	-37	0	0	0	0	111.5	S298	S296-S298 PolarHBondContact O-N 2.82Å
297	N	30.9	Very low	38	Very low	161 Å²	161	135.4 Å²	135.4	86%	0.861	81%	0.806	S	S	*	*			trans	-34.5	128.7	168.2	-68.4	-24	0	0	0	115.7
298	S	35.8	Very low	39.8	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	79%	0.787	S	S	*	*			trans	-159.5	128.5	138.5	-82.9	0	0	0	0	110.2	S296 S300	S296-S298 PolarHBondContact O-N 2.82Å; S298-S300 PolarHBondContact O-N 2.86Å
299	T	31.3	Very low	41.6	Very low	151 Å²	151	131.1 Å²	131.1	93%	0.926	77%	0.774	S	S	*	*			trans	-69.8	117.9	-175.9	47.2	0	0	0	0	112
300	S	35.4	Very low	43.7	Very low	110 Å²	110	131 Å²	131	77%	0.769	76%	0.761	S	S	*	*			trans	-132.4	105.4	165.2	37	0	0	0	0	109.3	S298 M302	S298-S300 PolarHBondContact O-N 2.86Å; S300-M302 PolarHBondContact O-N 3.43Å
301	S	38.3	Very low	46.2	Very low	115 Å²	115	126.2 Å²	126.2	80%	0.804	73%	0.726	S	S	*	*			trans	-63.4	130.5	179.8	47.3	0	0	0	0	111	L303	S301-L303 PolarHBondContact O-N 3.15Å
302	M	38.7	Very low	48.6	Very low	180 Å²	180	122 Å²	122	89%	0.887	70%	0.702	S	S	*	*			trans	-63.6	133	175.7	-52.5	-151.1	95.3	0	0	110.3	S300 S304	S300-M302 PolarHBondContact O-N 3.43Å; M302-S304 PolarHBondContact O-N 2.9Å
303	L	37.5	Very low	51.2	Low	179 Å²	179	115.4 Å²	115.4	94%	0.937	67%	0.668	S	S	*	*			trans	-69.1	112.5	176.4	-76.2	153.3	0	0	0	109.7	S301	S301-L303 PolarHBondContact O-N 3.15Å
304	S	35.9	Very low	53.8	Low	102 Å²	102	109.5 Å²	109.5	71%	0.713	64%	0.642	S	S	*	*			trans	-61.7	152.5	168.9	-59.9	0	0	0	0	111.1	M302 S306	M302-S304 PolarHBondContact O-N 2.9Å; S304-S306 PolarHBondContact O-N 3.45Å
305	P	48.5	Very low	56.6	Low	117 Å²	117	103.3 Å²	103.3	76%	0.76	61%	0.609	S	S	*	*			trans	-58.9	134	172.2	-19	31.3	0	0	0	110.5	V307	P305-V307 PolarHBondContact O-N 3.32Å
306	S	52.2	Low	59.4	Low	98 Å²	98	98 Å²	98	69%	0.685	58%	0.579	S	S	*	*			trans	-62	104.6	177.7	-59.2	0	0	0	0	110.9	S304 F308	S304-S306 PolarHBondContact O-N 3.45Å; S306-F308 WeakPolarHBondContact O-CD2 3.45Å; S306-F308 PolarHBondContact O-N 2.94Å; S306-F308 VanDerWaalsContact O-N 3.17Å
307	V	67.8	Low	61.7	Low	140 Å²	140	94 Å²	94	85%	0.848	55%	0.55	S	S	*	*			trans	-76.7	99.4	172.6	-178.8	0	0	0	0	107.9	P305	P305-V307 PolarHBondContact O-N 3.32Å
308	F	68.5	Low	64.3	Low	100 Å²	100	87.1 Å²	87.1	44%	0.439	51%	0.513	S	S	.	.			trans	-69.5	140.2	170.4	-64.3	-81.1	0	0	0	109.7	S306 P378 I380	S306-F308 WeakPolarHBondContact O-CD2 3.45Å; S306-F308 PolarHBondContact O-N 2.94Å; S306-F308 VanDerWaalsContact O-N 3.17Å; F308-P378 HydrophobicContact CB-CB 4.34Å; F308-I380 HydrophobicContact CD1-CB 4.46Å; F308-I380 HydrophobicContact CD1-CG2 4.39Å; F308-I380 HydrophobicContact CE1-CD1 4Å; F308-I380 HydrophobicContact CG-CG2 4.29Å; F308-I380 HydrophobicContact CZ-CD1 4.09Å
309	P	78.7	Confident	66.2	Low	81 Å²	81	84.3 Å²	84.3	53%	0.526	49%	0.492	S	S	.	.			trans	-61.9	147.1	173.7	24.5	-30.4	0	0	0	110.6	P378 T379	P309-P378 WeakPolarHBondContact O-CA 3.41Å; P309-T379 HydrophobicContact CB-CG2 4.27Å; P309-T379 HydrophobicContact CG-CG2 3.81Å; P309-T379 PolarHBondContact O-N 2.92Å
310	E	82	Confident	67.9	Low	113 Å²	113	85.5 Å²	85.5	53%	0.528	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.1	176.2	-64.7	-176	135.9	0	0	109.9	K376 A377	E310-K376 HydrophobicContact CB-CD 4.13Å; E310-K376 HydrophobicContact CB-CG 4.12Å; E310-K376 WeakPolarHBondContact OE2-CD 3.4Å; E310-K376 VanDerWaalsContact OE2-CE 3.23Å; E310-K376 WeakPolarHBondContact OE2-CE 3.47Å; E310-K376 IonicContact OE2-NZ 2.74Å; E310-K376 PolarHBondContact OE2-NZ 3.38Å; E310-A377 CarbonylContact C-O 3.48Å; E310-A377 WeakPolarHBondContact CA-O 3.43Å
311	I	84.8	Confident	69.1	Low	12 Å²	12	80.8 Å²	80.8	6%	0.062	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.3	179.4	-170.6	175.6	0	0	0	110	V313 A377 T379 I431 N443 L445	I311-V313 HydrophobicContact CG2-CG2 4.35Å; I311-A377 PolarHBondContact N-O 3.07Å; I311-A377 PolarHBondContact O-N 3.39Å; I311-T379 HydrophobicContact CG2-CG2 4.3Å; I311-I431 HydrophobicContact CD1-CG2 4.2Å; I311-I431 HydrophobicContact CG2-CG2 3.51Å; I311-N443 WeakPolarHBondContact CG1-O 3.44Å; I311-L445 HydrophobicContact CD1-CB 4.37Å
312	E	87.1	Confident	69.6	Low	79 Å²	79	78.7 Å²	78.7	37%	0.369	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.8	178.2	-59.1	-176.9	164.1	0	0	109.5	Y374 N443 Y444 L445	E312-Y374 HydrophobicContact CB-CE2 4.03Å; E312-Y374 HydrophobicContact CG-CE2 4.45Å; E312-Y374 VanDerWaalsContact CG-OH 3.32Å; E312-Y374 WeakPolarHBondContact CG-OH 3.47Å; E312-Y374 PolarHBondContact OE1-OH 3.14Å; E312-Y374 PolarHBondContact OE2-OH 2.84Å; E312-N443 PolarHBondContact N-O 3.3Å; E312-N443 VanDerWaalsContact N-O 3.17Å; E312-Y444 CarbonylContact O-C 3.27Å; E312-Y444 WeakPolarHBondContact O-CA 3.44Å; E312-L445 PolarHBondContact O-N 3.37Å
313	V	89.6	Confident	69.8	Low	0 Å²	0	73.2 Å²	73.2	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.5	-176.8	-175.4	0	0	0	0	109.6	I311 L315 L375 A377 I431 L445 L447	I311-V313 HydrophobicContact CG2-CG2 4.35Å; V313-L315 HydrophobicContact CG1-CD2 3.7Å; V313-L315 HydrophobicContact CG1-CG 4.28Å; V313-L375 HydrophobicContact CB-CD1 3.79Å; V313-L375 HydrophobicContact CB-CG 4.02Å; V313-L375 HydrophobicContact CG2-CD1 4.09Å; V313-L375 PolarHBondContact N-O 3.22Å; V313-L375 PolarHBondContact O-N 3.09Å; V313-A377 HydrophobicContact CG2-CB 4.35Å; V313-I431 HydrophobicContact CG2-CD1 3.95Å; V313-L445 WeakPolarHBondContact CA-O 3.34Å; V313-L447 HydrophobicContact CG1-CD1 4.15Å; V313-L447 HydrophobicContact CG1-CG 4.48Å
314	L	89.9	Confident	70	Confident	51 Å²	51	69.8 Å²	69.8	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	103.2	178.7	-166.9	61.6	0	0	0	109.7	K316 I372 Y374 L445 D446 L447	L314-K316 VanDerWaalsContact CD2-CE 3.47Å; L314-K316 HydrophobicContact CG-CG 4.35Å; L314-I372 HydrophobicContact CD1-CG2 3.36Å; L314-I372 HydrophobicContact CD2-CG2 4.45Å; L314-I372 HydrophobicContact CG-CG2 3.83Å; L314-Y374 HydrophobicContact CD1-CD2 4.34Å; L314-L445 PolarHBondContact N-O 3.5Å; L314-D446 WeakPolarHBondContact CB-OD1 3.47Å; L314-D446 WeakPolarHBondContact CD2-OD1 3.41Å; L314-L447 PolarHBondContact O-N 3.36Å
315	L	90.1	Very high	70.1	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.6	177.9	-54.4	-178.3	0	0	0	109.5	V313 I372 K373 L375 Y389 L390 L412 L447 Y449	V313-L315 HydrophobicContact CG1-CD2 3.7Å; V313-L315 HydrophobicContact CG1-CG 4.28Å; L315-I372 CarbonylContact O-C 3.6Å; L315-I372 WeakPolarHBondContact O-CA 3.42Å; L315-K373 HydrophobicContact CB-CB 4.27Å; L315-K373 PolarHBondContact N-O 3.01Å; L315-K373 PolarHBondContact O-N 2.95Å; L315-L375 HydrophobicContact CD1-CD2 3.7Å; L315-L375 HydrophobicContact CG-CD2 4.16Å; L315-Y389 HydrophobicContact CD1-CD1 4.33Å; L315-Y389 HydrophobicContact CD1-CE1 4.34Å; L315-L390 HydrophobicContact CD1-CD1 4.19Å; L315-L390 HydrophobicContact CD1-CD2 3.78Å; L315-L390 HydrophobicContact CD1-CG 3.93Å; L315-L412 HydrophobicContact CD2-CD2 4.09Å; L315-L447 CarbonylContact C-O 3.52Å; L315-L447 WeakPolarHBondContact CA-O 3.15Å; L315-L447 HydrophobicContact CD2-CB 3.89Å; L315-L447 HydrophobicContact CD2-CD1 4.22Å; L315-Y449 HydrophobicContact CB-CD1 4.01Å; L315-Y449 HydrophobicContact CB-CE1 4.39Å
316	K	88.6	Confident	69.4	Low	44 Å²	44	70.3 Å²	70.3	19%	0.191	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	149.2	178.8	-60.1	174.9	-171.3	174.8	0	110.3	L314 I372 D446 L447 Y448 Y449	L314-K316 VanDerWaalsContact CD2-CE 3.47Å; L314-K316 HydrophobicContact CG-CG 4.35Å; K316-I372 HydrophobicContact CG-CG1 4.34Å; K316-I372 HydrophobicContact CG-CG2 4.2Å; K316-D446 WeakPolarHBondContact CE-OD1 3.33Å; K316-D446 IonicContact NZ-OD1 3.87Å; K316-D446 PolarHBondContact NZ-OD1 3.09Å; K316-D446 VanDerWaalsContact NZ-OD1 3.12Å; K316-D446 IonicContact NZ-OD2 2.71Å; K316-D446 PolarHBondContact NZ-OD2 2.89Å; K316-L447 PolarHBondContact N-O 3.36Å; K316-Y448 HydrophobicContact CB-CD1 3.83Å; K316-Y448 HydrophobicContact CB-CE1 3.9Å; K316-Y448 HydrophobicContact CD-CE1 3.82Å; K316-Y448 HydrophobicContact CG-CE1 4.48Å; K316-Y448 CarbonylContact O-C 3.57Å; K316-Y448 VanDerWaalsContact O-CA 3.23Å; K316-Y448 WeakPolarHBondContact O-CA 3.49Å; K316-Y449 WeakPolarHBondContact O-CD1 3.33Å; K316-Y449 PolarHBondContact O-N 3.07Å
317	P	84.7	Confident	68.5	Low	25 Å²	25	69 Å²	69	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.6	169	29.7	-35.7	0	0	0	110.1
318	H	84.2	Confident	66.8	Low	16 Å²	16	67.5 Å²	67.5	7%	0.074	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.5	142.3	173.1	-176.4	-99.6	0	0	0	110.6	R320 Y321 S322 Y413 Y422 Y449 A450	H318-R320 VanDerWaalsContact C-N 3.3Å; H318-R320 PolarHBondContact ND1-N 3.48Å; H318-R320 PolarHBondContact O-N 2.6Å; H318-Y321 WeakPolarHBondContact O-CA 3.36Å; H318-Y321 WeakPolarHBondContact O-CB 3.4Å; H318-Y321 PolarHBondContact O-N 3.35Å; H318-S322 PolarHBondContact O-N 2.9Å; H318-Y413 AromaticContact CD2-CD2 3.95Å; H318-Y422 AromaticContact CD2-CD1 3.68Å; H318-Y422 AromaticContact CD2-CG 3.62Å; H318-Y422 AromaticContact NE2-CD1 3.86Å; H318-Y422 AromaticContact NE2-CD2 3.43Å; H318-Y422 WeakPolarHBondContact NE2-CD2 3.16Å; H318-Y422 AromaticContact NE2-CG 3.28Å; H318-Y422 VanDerWaalsContact NE2-CG 3.28Å; H318-Y449 WeakPolarHBondContact CB-O 3.25Å; H318-Y449 PolarHBondContact N-O 2.65Å; H318-A450 HydrophobicContact CB-CB 4.14Å
319	P	76.9	Confident	65.1	Low	58 Å²	58	70.5 Å²	70.5	38%	0.377	38%	0.383	S	S	.	.	H	α-helix	trans	-57.2	-38	-173.1	-27.7	34.8	0	0	0	114.5	Y321 S322 S323 Y422	P319-Y321 PolarHBondContact O-N 2.92Å; P319-S322 WeakPolarHBondContact O-CB 3.43Å; P319-S322 PolarHBondContact O-N 3.12Å; P319-S323 PolarHBondContact O-N 3.29Å; P319-S323 PolarHBondContact O-OG 3.33Å; P319-Y422 HydrophobicContact CG-CE1 4.48Å; P319-Y422 HydrophobicContact CG-CE2 3.75Å; P319-Y422 WeakPolarHBondContact CG-OH 3.28Å
320	R	66.9	Low	62.9	Low	176 Å²	176	71 Å²	71	66%	0.664	39%	0.388	S	S	*	.	H	α-helix	trans	-61.5	-25.4	175.2	-66.3	-173.5	175.3	-175.7	-3.2	113.3	H318 S323	H318-R320 VanDerWaalsContact C-N 3.3Å; H318-R320 PolarHBondContact ND1-N 3.48Å; H318-R320 PolarHBondContact O-N 2.6Å; R320-S323 WeakPolarHBondContact CA-OG 3.19Å; R320-S323 PolarHBondContact O-OG 3.39Å; R320-S323 VanDerWaalsContact O-OG 3.08Å
321	Y	59.5	Low	60.6	Low	10 Å²	10	74.8 Å²	74.8	4%	0.039	41%	0.408	C	S	.	.	H	α-helix	trans	-78.5	-28.3	175.6	-157.1	-89.4	0	0	0	112	H318 P319 N369 A450 R451 I454	H318-Y321 WeakPolarHBondContact O-CA 3.36Å; H318-Y321 WeakPolarHBondContact O-CB 3.4Å; H318-Y321 PolarHBondContact O-N 3.35Å; P319-Y321 PolarHBondContact O-N 2.92Å; Y321-N369 HydrophobicContact CE1-CB 4.01Å; Y321-N369 VanDerWaalsContact CE1-O 3.31Å; Y321-N369 WeakPolarHBondContact CE1-O 3.44Å; Y321-N369 PolarHBondContact OH-ND2 3.29Å; Y321-A450 HydrophobicContact CD2-CB 4.44Å; Y321-R451 HydrophobicContact CE2-CB 3.97Å; Y321-R451 HydrophobicContact CE2-CG 3.59Å; Y321-R451 WeakPolarHBondContact OH-CD 3.3Å; Y321-I454 HydrophobicContact CD2-CD1 3.4Å; Y321-I454 HydrophobicContact CE2-CD1 3.42Å; Y321-I454 VanDerWaalsContact CE2-CD1 3.42Å
322	S	50.3	Low	58	Low	72 Å²	72	78.6 Å²	78.6	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-75.2	-35.4	176.2	-168.3	0	0	0	0	112.6	H318 P319 Q324	H318-S322 PolarHBondContact O-N 2.9Å; P319-S322 WeakPolarHBondContact O-CB 3.43Å; P319-S322 PolarHBondContact O-N 3.12Å; S322-Q324 PolarHBondContact O-N 3.33Å
323	S	42.7	Very low	55.3	Low	64 Å²	64	80.9 Å²	80.9	45%	0.448	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-73.4	-19	-175.9	46.1	0	0	0	0	115.4	P319 R320 Y325	P319-S323 PolarHBondContact O-N 3.29Å; P319-S323 PolarHBondContact O-OG 3.33Å; R320-S323 WeakPolarHBondContact CA-OG 3.19Å; R320-S323 PolarHBondContact O-OG 3.39Å; R320-S323 VanDerWaalsContact O-OG 3.08Å; S323-Y325 VanDerWaalsContact C-N 3.3Å; S323-Y325 PolarHBondContact O-N 2.89Å
324	Q	41.2	Very low	52.6	Low	108 Å²	108	86.4 Å²	86.4	51%	0.505	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-78.2	-10.3	-176.5	-71.4	-178.9	-7.2	0	0	114.3	S322	S322-Q324 PolarHBondContact O-N 3.33Å
325	Y	37.3	Very low	50.2	Low	133 Å²	133	90.8 Å²	90.8	52%	0.522	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-115.5	6.5	179.4	-68	-89.7	0	0	0	113.9	S323	S323-Y325 VanDerWaalsContact C-N 3.3Å; S323-Y325 PolarHBondContact O-N 2.89Å
326	T	34.1	Very low	47.6	Very low	97 Å²	97	96.4 Å²	96.4	60%	0.595	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-3.8	178.3	52.5	0	0	0	0	114
327	A	32.6	Very low	44.9	Very low	70 Å²	70	100.4 Å²	100.4	58%	0.579	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-86.8	-8.7	-175.1	0	0	0	0	0	115.4
328	S	33.5	Very low	42.6	Very low	109 Å²	109	105 Å²	105	76%	0.762	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-89.9	5.3	-175.3	49.9	0	0	0	0	115.2
329	N	33.2	Very low	40.4	Very low	162 Å²	162	110.2 Å²	110.2	87%	0.866	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-131.8	19.1	-176.2	-115.6	0.9	0	0	0	114.6
330	S	32.5	Very low	38.5	Very low	92 Å²	92	112.5 Å²	112.5	64%	0.643	69%	0.691	S	S	*	*			trans	-136.6	49.6	-177.2	65.4	0	0	0	0	113.8
331	M	32.7	Very low	37.1	Very low	192 Å²	192	110.4 Å²	110.4	95%	0.946	70%	0.698	S	S	*	*			trans	-138.6	58.5	170.7	-82.2	-161.4	156.3	0	0	112.8
332	A	30.7	Very low	36.3	Very low	93 Å²	93	114.9 Å²	114.9	77%	0.769	73%	0.73	S	S	*	*	S	Bend	trans	-157.7	136.8	157.7	0	0	0	0	0	109.8
333	S	31	Very low	36	Very low	127 Å²	127	118.3 Å²	118.3	89%	0.888	75%	0.749	S	S	*	*			trans	97.4	55.9	175.2	-42.1	0	0	0	0	118
334	S	32.4	Very low	35.9	Very low	115 Å²	115	118.2 Å²	118.2	80%	0.804	76%	0.758	S	S	*	*			trans	-153.1	73.8	155.2	51.2	0	0	0	0	112.3
335	T	38.6	Very low	35.9	Very low	144 Å²	144	121.1 Å²	121.1	88%	0.883	77%	0.771	S	S	*	*			trans	-147.1	131	160.9	-19.3	0	0	0	0	111
336	S	35.8	Very low	36.2	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	79%	0.785	S	S	*	*			trans	-82.2	132.2	-169.8	50.5	0	0	0	0	113.5
337	C	32.1	Very low	36.8	Very low	128 Å²	128	127.9 Å²	127.9	87%	0.865	80%	0.796	S	S	*	*			trans	-157.8	138.1	148.3	39.9	0	0	0	0	111.4
338	S	37.4	Very low	37.4	Very low	123 Å²	123	131.1 Å²	131.1	86%	0.86	80%	0.804	S	S	*	*			trans	-86.7	165.2	-174.5	-63	0	0	0	0	112.5
339	P	37	Very low	38.1	Very low	125 Å²	125	133 Å²	133	81%	0.812	81%	0.806	S	S	*	*			trans	-105.8	159.2	-152.9	39.2	-35.6	0	0	0	116
340	S	37.5	Very low	38.4	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	80%	0.804	S	S	*	*			trans	-162	105.1	160.6	43.9	0	0	0	0	115.4
341	T	37.9	Very low	38.9	Very low	133 Å²	133	133.1 Å²	133.1	82%	0.816	81%	0.813	S	S	*	*			trans	55.3	152.1	135.2	48.3	0	0	0	0	124.9
342	S	42.6	Very low	39.3	Very low	103 Å²	103	131.3 Å²	131.3	72%	0.72	81%	0.807	S	S	*	*			trans	82.3	98.2	163.4	75.8	0	0	0	0	116.5
343	T	44.2	Very low	39.7	Very low	145 Å²	145	131.7 Å²	131.7	89%	0.89	80%	0.804	S	S	*	*				79.9	121.6	76.5	55.7	0	0	0	0	116.1
344	G	39	Very low	40.1	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	80%	0.797	S	S	*	*			trans	150.2	109.2	151.7	0	0	0	0	0	117.9
345	H	43	Very low	40.2	Very low	169 Å²	169	133.4 Å²	133.4	78%	0.782	80%	0.802	S	S	*	*			trans	50.6	117.1	146.9	-59.9	-81.6	0	0	0	120.6
346	R	43.7	Very low	40	Very low	218 Å²	218	129.3 Å²	129.3	82%	0.823	79%	0.788	S	S	*	*				54.5	120.7	80.5	-68.2	-173.1	-178.9	178.9	0.4	112.3
347	N	45.7	Very low	39.8	Very low	153 Å²	153	131.7 Å²	131.7	82%	0.818	79%	0.792	S	S	*	*				-167.9	166.1	52.9	-118.9	-1	0	0	0	113.5
348	N	44.9	Very low	40	Very low	138 Å²	138	131.9 Å²	131.9	74%	0.738	79%	0.785	S	S	*	*			trans	-71.2	152.5	169.6	-62.5	-24.8	0	0	0	112.7
349	N	48.1	Very low	39.7	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	78%	0.781	S	S	*	*				172.6	123.6	104.8	-87.4	-29.8	0	0	0	114.5
350	N	40.4	Very low	39.5	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	78%	0.777	S	S	*	*			trans	45.6	106.6	132	-159.1	16.4	0	0	0	120.2
351	A	41.9	Very low	39	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	78%	0.778	S	S	*	*			trans	-143.7	118.6	156.6	0	0	0	0	0	112.2
352	N	42.2	Very low	38.6	Very low	154 Å²	154	132 Å²	132	82%	0.824	77%	0.766	S	S	*	*			trans	-13.3	137.2	162.1	-85	-15.6	0	0	0	120.9
353	S	39.5	Very low	37.9	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	77%	0.771	S	S	*	*				79.7	140.9	125.6	-163.3	0	0	0	0	121.1
354	S	38.2	Very low	37.2	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	77%	0.767	S	S	*	*			trans	85.5	140.7	155.3	-23.1	0	0	0	0	117.3
355	N	34.2	Very low	36.8	Very low	173 Å²	173	140.8 Å²	140.8	93%	0.925	77%	0.771	S	S	*	*			trans	63.7	123.5	175.3	-85.6	-10.5	0	0	0	118.5
356	G	34.4	Very low	36.4	Very low	57 Å²	57	136.8 Å²	136.8	59%	0.588	76%	0.755	S	S	*	*			trans	-167.7	41.2	178.3	0	0	0	0	0	112.8	N358	G356-N358 PolarHBondContact O-N 2.99Å
357	N	32.5	Very low	36.1	Very low	167 Å²	167	133.4 Å²	133.4	89%	0.893	75%	0.749	S	S	*	*			trans	-68.2	66.9	163.2	-89.9	-4.9	0	0	0	109.2	N359	N357-N359 PolarHBondContact O-N 3.26Å
358	N	36.4	Very low	36.1	Very low	133 Å²	133	127.5 Å²	127.5	71%	0.711	72%	0.724	S	S	*	*			trans	-91.3	90.7	-179.7	-79.9	-15.4	0	0	0	109.4	G356 T360	G356-N358 PolarHBondContact O-N 2.99Å; N358-T360 PolarHBondContact O-N 2.83Å
359	N	30.5	Very low	36.4	Very low	148 Å²	148	121.8 Å²	121.8	79%	0.791	69%	0.693	S	S	*	*			trans	-57.3	83.1	162.4	-166.4	9.6	0	0	0	109.4	N357 N361	N357-N359 PolarHBondContact O-N 3.26Å; N359-N361 PolarHBondContact O-N 2.98Å
360	T	32.3	Very low	37	Very low	116 Å²	116	117 Å²	117	71%	0.712	68%	0.679	S	S	*	*			trans	-74.6	76.7	176.5	45.1	0	0	0	0	110.1	N358 S362	N358-T360 PolarHBondContact O-N 2.83Å; T360-S362 VanDerWaalsContact C-N 3.33Å; T360-S362 PolarHBondContact O-N 3.07Å; T360-S362 PolarHBondContact O-OG 2.9Å
361	N	27.7	Very low	38.3	Very low	144 Å²	144	114 Å²	114	77%	0.77	66%	0.663	S	S	*	*			trans	-57.6	93.5	172.3	-161.6	10.8	0	0	0	108.8	N359 N363	N359-N361 PolarHBondContact O-N 2.98Å; N361-N363 PolarHBondContact O-N 3.48Å
362	S	29.9	Very low	40.2	Very low	79 Å²	79	114.2 Å²	114.2	55%	0.552	65%	0.649	S	S	*	*			trans	-84.8	103.4	-170.7	-63	0	0	0	0	109	T360 Y364	T360-S362 VanDerWaalsContact C-N 3.33Å; T360-S362 PolarHBondContact O-N 3.07Å; T360-S362 PolarHBondContact O-OG 2.9Å; S362-Y364 WeakPolarHBondContact O-CD2 3.42Å; S362-Y364 PolarHBondContact O-N 2.93Å
363	N	27.2	Very low	42.2	Very low	155 Å²	155	107.6 Å²	107.6	83%	0.829	61%	0.613	S	S	*	*			trans	-46.7	100.7	176.1	-89.7	-31.1	0	0	0	112.1	N361	N361-N363 PolarHBondContact O-N 3.48Å
364	Y	29.4	Very low	44.5	Very low	206 Å²	206	109.3 Å²	109.3	81%	0.808	61%	0.605	S	S	*	*			trans	-103.1	102.2	165	-87.1	-77.8	0	0	0	109	S362 D366	S362-Y364 WeakPolarHBondContact O-CD2 3.42Å; S362-Y364 PolarHBondContact O-N 2.93Å; Y364-D366 PolarHBondContact O-N 2.82Å
365	N	30.4	Very low	47	Very low	134 Å²	134	105.3 Å²	105.3	72%	0.717	58%	0.575	S	S	*	*			trans	-54.8	133.6	-178.3	-77.6	-34.4	0	0	0	112.4	Q367	N365-Q367 PolarHBondContact O-N 3.09Å
366	D	34.9	Very low	49.6	Very low	86 Å²	86	102.7 Å²	102.7	46%	0.46	56%	0.556	S	S	.	*			trans	-69.9	115.1	177.5	178.5	29.7	0	0	0	111.6	Y364 G368 R401	Y364-D366 PolarHBondContact O-N 2.82Å; D366-G368 PolarHBondContact OD1-N 3.2Å; D366-R401 IonicContact OD1-NH1 3.03Å; D366-R401 PolarHBondContact OD1-NH1 2.94Å
367	Q	38.3	Very low	52.1	Low	147 Å²	147	100.2 Å²	100.2	69%	0.687	53%	0.53	S	S	*	.			trans	-111.7	15	178.3	-67.8	173.3	-17.1	0	0	112.8	N365	N365-Q367 PolarHBondContact O-N 3.09Å
368	G	44.2	Very low	54.8	Low	29 Å²	29	94.7 Å²	94.7	30%	0.299	50%	0.503	S	S	.	.	S	Bend	trans	-82.3	-20.4	-177.2	0	0	0	0	0	115.6	D366	D366-G368 PolarHBondContact OD1-N 3.2Å
369	N	52.7	Low	57.2	Low	17 Å²	17	89 Å²	89	9%	0.091	47%	0.473	C	S	.	.	S	Bend	trans	-105.4	-11.6	-159.2	-95.9	0.6	0	0	0	116	Y321 R398	Y321-N369 HydrophobicContact CE1-CB 4.01Å; Y321-N369 VanDerWaalsContact CE1-O 3.31Å; Y321-N369 WeakPolarHBondContact CE1-O 3.44Å; Y321-N369 PolarHBondContact OH-ND2 3.29Å; N369-R398 PolarHBondContact OD1-NH2 3.38Å
370	G	59	Low	60	Low	49 Å²	49	86.5 Å²	86.5	51%	0.505	46%	0.459	S	S	.	.			trans	-116.4	13.8	-172.7	0	0	0	0	0	116.5
371	L	68.7	Low	62.8	Low	92 Å²	92	82 Å²	82	48%	0.482	43%	0.431	S	S	.	.			trans	-81.3	124.2	-171.7	-67.9	172	0	0	0	112.9	Y449	L371-Y449 PolarHBondContact O-OH 3.43Å
372	I	82.5	Confident	65.9	Low	105 Å²	105	76.4 Å²	76.4	54%	0.538	40%	0.402	S	S	.	.			trans	-60.5	136	166.8	-58.7	174.2	0	0	0	109.1	L314 L315 K316	L314-I372 HydrophobicContact CD1-CG2 3.36Å; L314-I372 HydrophobicContact CD2-CG2 4.45Å; L314-I372 HydrophobicContact CG-CG2 3.83Å; L315-I372 CarbonylContact O-C 3.6Å; L315-I372 WeakPolarHBondContact O-CA 3.42Å; K316-I372 HydrophobicContact CG-CG1 4.34Å; K316-I372 HydrophobicContact CG-CG2 4.2Å
373	K	83.9	Confident	68.9	Low	16 Å²	16	72.8 Å²	72.8	7%	0.07	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.7	-179.8	-56.9	173.5	-171.5	172	0	110.5	L315 L390 I394	L315-K373 HydrophobicContact CB-CB 4.27Å; L315-K373 PolarHBondContact N-O 3.01Å; L315-K373 PolarHBondContact O-N 2.95Å; K373-L390 HydrophobicContact CD-CD2 3.87Å; K373-I394 VanDerWaalsContact NZ-CD1 3.28Å
374	Y	87.7	Confident	71.9	Confident	137 Å²	137	67.3 Å²	67.3	54%	0.537	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.4	171.1	179.8	-95.5	0	0	0	109.9	E312 L314	E312-Y374 HydrophobicContact CB-CE2 4.03Å; E312-Y374 HydrophobicContact CG-CE2 4.45Å; E312-Y374 VanDerWaalsContact CG-OH 3.32Å; E312-Y374 WeakPolarHBondContact CG-OH 3.47Å; E312-Y374 PolarHBondContact OE1-OH 3.14Å; E312-Y374 PolarHBondContact OE2-OH 2.84Å; L314-Y374 HydrophobicContact CD1-CD2 4.34Å
375	L	89.8	Confident	74.9	Confident	21 Å²	21	61.8 Å²	61.8	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.7	173.6	67	90.7	0	0	0	110.8	V313 L315 A377 L386 Y389	V313-L375 HydrophobicContact CB-CD1 3.79Å; V313-L375 HydrophobicContact CB-CG 4.02Å; V313-L375 HydrophobicContact CG2-CD1 4.09Å; V313-L375 PolarHBondContact N-O 3.22Å; V313-L375 PolarHBondContact O-N 3.09Å; L315-L375 HydrophobicContact CD1-CD2 3.7Å; L315-L375 HydrophobicContact CG-CD2 4.16Å; L375-A377 HydrophobicContact CD1-CB 3.68Å; L375-L386 HydrophobicContact CD1-CD2 4.18Å; L375-L386 HydrophobicContact CD2-CD2 4.22Å; L375-Y389 HydrophobicContact CD2-CD1 3.93Å; L375-Y389 HydrophobicContact CD2-CE1 3.5Å
376	K	89.1	Confident	77.8	Confident	119 Å²	119	55.6 Å²	55.6	52%	0.517	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	170.5	-154.7	-174.6	-169.2	-159.4	0	108.2	E310	E310-K376 HydrophobicContact CB-CD 4.13Å; E310-K376 HydrophobicContact CB-CG 4.12Å; E310-K376 WeakPolarHBondContact OE2-CD 3.4Å; E310-K376 VanDerWaalsContact OE2-CE 3.23Å; E310-K376 WeakPolarHBondContact OE2-CE 3.47Å; E310-K376 IonicContact OE2-NZ 2.74Å; E310-K376 PolarHBondContact OE2-NZ 3.38Å
377	A	87	Confident	80.4	Confident	5 Å²	5	52.2 Å²	52.2	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.2	-175.5	0	0	0	0	0	111.8	E310 I311 V313 L375 I431	E310-A377 CarbonylContact C-O 3.48Å; E310-A377 WeakPolarHBondContact CA-O 3.43Å; I311-A377 PolarHBondContact N-O 3.07Å; I311-A377 PolarHBondContact O-N 3.39Å; V313-A377 HydrophobicContact CG2-CB 4.35Å; L375-A377 HydrophobicContact CD1-CB 3.68Å; A377-I431 HydrophobicContact CB-CD1 3.79Å
378	P	89.7	Confident	82.7	Confident	51 Å²	51	51.7 Å²	51.7	33%	0.331	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	143.2	164.7	-23.3	34.8	0	0	0	111.4	F308 P309 I380 T381	F308-P378 HydrophobicContact CB-CB 4.34Å; P309-P378 WeakPolarHBondContact O-CA 3.41Å; P378-I380 HydrophobicContact CB-CG2 3.99Å; P378-I380 PolarHBondContact O-N 2.98Å; P378-I380 VanDerWaalsContact O-N 3.13Å; P378-T381 VanDerWaalsContact O-CB 3.24Å; P378-T381 WeakPolarHBondContact O-CB 3.42Å; P378-T381 PolarHBondContact O-N 3.13Å; P378-T381 PolarHBondContact O-OG1 2.85Å
379	T	86.8	Confident	84.8	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.086	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.8	-178.5	57.4	0	0	0	0	114.4	P309 I311 T381 I431 E432	P309-T379 HydrophobicContact CB-CG2 4.27Å; P309-T379 HydrophobicContact CG-CG2 3.81Å; P309-T379 PolarHBondContact O-N 2.92Å; I311-T379 HydrophobicContact CG2-CG2 4.3Å; T379-T381 PolarHBondContact O-N 3.16Å; T379-I431 PolarHBondContact O-N 3.25Å; T379-E432 PolarHBondContact O-N 2.97Å; T379-E432 VanDerWaalsContact O-N 3.08Å; T379-E432 PolarHBondContact OG1-OE2 3.24Å
380	I	89.3	Confident	86.4	Confident	95 Å²	95	53 Å²	53	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.3	174.9	-165.8	165.6	0	0	0	114.1	F308 P378 T382	F308-I380 HydrophobicContact CD1-CB 4.46Å; F308-I380 HydrophobicContact CD1-CG2 4.39Å; F308-I380 HydrophobicContact CE1-CD1 4Å; F308-I380 HydrophobicContact CG-CG2 4.29Å; F308-I380 HydrophobicContact CZ-CD1 4.09Å; P378-I380 HydrophobicContact CB-CG2 3.99Å; P378-I380 PolarHBondContact O-N 2.98Å; P378-I380 VanDerWaalsContact O-N 3.13Å; I380-T382 PolarHBondContact O-N 3.23Å
381	T	90.6	Very high	87.5	Confident	22 Å²	22	52.1 Å²	52.1	14%	0.135	25%	0.25	C	C	.	.			trans	-64.6	133.6	176.1	-53.4	0	0	0	0	109.8	P378 T379 H385 L386 I431	P378-T381 VanDerWaalsContact O-CB 3.24Å; P378-T381 WeakPolarHBondContact O-CB 3.42Å; P378-T381 PolarHBondContact O-N 3.13Å; P378-T381 PolarHBondContact O-OG1 2.85Å; T379-T381 PolarHBondContact O-N 3.16Å; T381-H385 HydrophobicContact CG2-CB 3.66Å; T381-L386 HydrophobicContact CG2-CD2 4.07Å; T381-L386 HydrophobicContact CG2-CG 4.17Å; T381-I431 HydrophobicContact CG2-CD1 4.14Å; T381-I431 WeakPolarHBondContact O-CG1 3.42Å; T381-I431 PolarHBondContact O-N 3.05Å
382	T	93.4	Very high	87.9	Confident	26 Å²	26	51.9 Å²	51.9	16%	0.16	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-92.5	163.3	178.4	60.6	0	0	0	0	112.2	I380 D384 H385 L386 M429	I380-T382 PolarHBondContact O-N 3.23Å; T382-D384 VanDerWaalsContact C-N 3.27Å; T382-D384 PolarHBondContact O-N 2.91Å; T382-H385 WeakPolarHBondContact O-CB 3.32Å; T382-H385 PolarHBondContact O-N 2.83Å; T382-H385 VanDerWaalsContact O-N 3.09Å; T382-H385 PolarHBondContact OG1-CD2 2.85Å; T382-H385 VanDerWaalsContact OG1-CD2 3.23Å; T382-H385 PolarHBondContact OG1-N 3.04Å; T382-H385 PolarHBondContact OG1-ND1 3.36Å; T382-L386 PolarHBondContact O-N 2.87Å; T382-L386 VanDerWaalsContact O-N 3.14Å; T382-M429 CarbonylContact C-O 3.49Å; T382-M429 VanDerWaalsContact CA-O 3.31Å; T382-M429 WeakPolarHBondContact CA-O 3.38Å
383	V	92.1	Very high	87.6	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-52.3	-46	169.3	171	0	0	0	0	111.3	H385 L386 C387 L412 L425 D426 M429 I434	V383-H385 VanDerWaalsContact C-N 3.32Å; V383-H385 PolarHBondContact O-N 3.1Å; V383-L386 CarbonylContact O-C 3.6Å; V383-L386 WeakPolarHBondContact O-CB 3.34Å; V383-L386 PolarHBondContact O-N 3.38Å; V383-C387 PolarHBondContact O-N 3.23Å; V383-C387 PolarHBondContact O-SG 2.9Å; V383-C387 VanDerWaalsContact O-SG 3.36Å; V383-L412 HydrophobicContact CG1-CB 4.15Å; V383-L412 HydrophobicContact CG1-CD1 4.13Å; V383-L425 HydrophobicContact CG1-CB 4.23Å; V383-L425 HydrophobicContact CG2-CB 3.89Å; V383-L425 HydrophobicContact CG2-CD1 4.43Å; V383-D426 VanDerWaalsContact CB-O 3.26Å; V383-D426 WeakPolarHBondContact CB-O 3.47Å; V383-D426 WeakPolarHBondContact CG2-O 3.34Å; V383-M429 HydrophobicContact CG2-CB 4.28Å; V383-M429 PolarHBondContact N-O 3.2Å; V383-I434 HydrophobicContact CG2-CD1 3.79Å
384	D	91.2	Very high	87	Confident	40 Å²	40	52.3 Å²	52.3	21%	0.214	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-38.1	175.6	162.5	73.2	0	0	0	113.2	T382 L386 C387 R388 S427	T382-D384 VanDerWaalsContact C-N 3.27Å; T382-D384 PolarHBondContact O-N 2.91Å; D384-L386 PolarHBondContact O-N 3.23Å; D384-C387 PolarHBondContact O-N 2.81Å; D384-R388 VanDerWaalsContact CG-CZ 3.5Å; D384-R388 WeakPolarHBondContact O-CG 3.5Å; D384-R388 PolarHBondContact O-N 3Å; D384-R388 IonicContact OD1-CZ 3.38Å; D384-R388 IonicContact OD1-NE 2.74Å; D384-R388 IonicContact OD1-NH2 3.97Å; D384-R388 PolarHBondContact OD1-NH2 2.99Å; D384-R388 IonicContact OD2-CZ 3.07Å; D384-R388 IonicContact OD2-NE 3.5Å; D384-R388 IonicContact OD2-NH1 3.55Å; D384-R388 PolarHBondContact OD2-NH1 3.47Å; D384-R388 IonicContact OD2-NH2 2.83Å; D384-R388 PolarHBondContact OD2-NH2 3.05Å; D384-S427 VanDerWaalsContact CB-O 3.23Å; D384-S427 WeakPolarHBondContact CB-O 3.26Å; D384-S427 PolarHBondContact N-O 3.47Å
385	H	91.2	Very high	85.8	Confident	90 Å²	90	46.7 Å²	46.7	42%	0.417	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-40.8	173.1	-63.8	170.6	0	0	0	112.1	T381 T382 V383 Y389	T381-H385 HydrophobicContact CG2-CB 3.66Å; T382-H385 WeakPolarHBondContact O-CB 3.32Å; T382-H385 PolarHBondContact O-N 2.83Å; T382-H385 VanDerWaalsContact O-N 3.09Å; T382-H385 PolarHBondContact OG1-CD2 2.85Å; T382-H385 VanDerWaalsContact OG1-CD2 3.23Å; T382-H385 PolarHBondContact OG1-N 3.04Å; T382-H385 PolarHBondContact OG1-ND1 3.36Å; V383-H385 VanDerWaalsContact C-N 3.32Å; V383-H385 PolarHBondContact O-N 3.1Å; H385-Y389 WeakPolarHBondContact O-CB 3.26Å; H385-Y389 PolarHBondContact O-N 3.01Å
386	L	91.3	Very high	84.5	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-38.3	176.2	-63.8	177.1	0	0	0	112	L375 T381 T382 V383 D384 Y389 L390 L412 I431 L447	L375-L386 HydrophobicContact CD1-CD2 4.18Å; L375-L386 HydrophobicContact CD2-CD2 4.22Å; T381-L386 HydrophobicContact CG2-CD2 4.07Å; T381-L386 HydrophobicContact CG2-CG 4.17Å; T382-L386 PolarHBondContact O-N 2.87Å; T382-L386 VanDerWaalsContact O-N 3.14Å; V383-L386 CarbonylContact O-C 3.6Å; V383-L386 WeakPolarHBondContact O-CB 3.34Å; V383-L386 PolarHBondContact O-N 3.38Å; D384-L386 PolarHBondContact O-N 3.23Å; L386-Y389 WeakPolarHBondContact O-CB 3.31Å; L386-Y389 PolarHBondContact O-N 3.45Å; L386-L390 WeakPolarHBondContact O-CG 3.23Å; L386-L390 PolarHBondContact O-N 3.37Å; L386-L412 HydrophobicContact CB-CD1 3.52Å; L386-L412 HydrophobicContact CD1-CD1 4.11Å; L386-L412 HydrophobicContact CG-CD1 4.49Å; L386-I431 HydrophobicContact CD1-CD1 4.07Å; L386-I431 HydrophobicContact CD1-CG1 4.15Å; L386-I431 HydrophobicContact CD2-CD1 4.49Å; L386-L447 HydrophobicContact CD1-CD1 3.81Å
387	C	89.6	Confident	83.2	Confident	14 Å²	14	48.1 Å²	48.1	10%	0.095	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-45.8	174	-68.7	0	0	0	0	111.7	V383 D384 Y389 L390 T391 F410	V383-C387 PolarHBondContact O-N 3.23Å; V383-C387 PolarHBondContact O-SG 2.9Å; V383-C387 VanDerWaalsContact O-SG 3.36Å; D384-C387 PolarHBondContact O-N 2.81Å; C387-Y389 VanDerWaalsContact C-N 3.33Å; C387-Y389 PolarHBondContact O-N 3.39Å; C387-L390 WeakPolarHBondContact O-CB 3.45Å; C387-L390 PolarHBondContact O-N 2.91Å; C387-L390 VanDerWaalsContact O-N 3.15Å; C387-T391 PolarHBondContact O-N 3.28Å; C387-T391 PolarHBondContact O-OG1 3.13Å; C387-F410 WeakPolarHBondContact CB-O 3.45Å; C387-F410 PolarHBondContact SG-O 3.05Å
388	R	86.4	Confident	81.9	Confident	137 Å²	137	50.1 Å²	50.1	52%	0.517	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-42.1	172.4	-71.3	-170.6	-163.7	114.4	14	112	D384 L390 T391 V392	D384-R388 VanDerWaalsContact CG-CZ 3.5Å; D384-R388 WeakPolarHBondContact O-CG 3.5Å; D384-R388 PolarHBondContact O-N 3Å; D384-R388 IonicContact OD1-CZ 3.38Å; D384-R388 IonicContact OD1-NE 2.74Å; D384-R388 IonicContact OD1-NH2 3.97Å; D384-R388 PolarHBondContact OD1-NH2 2.99Å; D384-R388 IonicContact OD2-CZ 3.07Å; D384-R388 IonicContact OD2-NE 3.5Å; D384-R388 IonicContact OD2-NH1 3.55Å; D384-R388 PolarHBondContact OD2-NH1 3.47Å; D384-R388 IonicContact OD2-NH2 2.83Å; D384-R388 PolarHBondContact OD2-NH2 3.05Å; R388-L390 VanDerWaalsContact C-N 3.3Å; R388-L390 PolarHBondContact O-N 3.08Å; R388-T391 PolarHBondContact O-N 3.33Å; R388-V392 WeakPolarHBondContact O-CB 3.29Å; R388-V392 VanDerWaalsContact O-CG2 3.3Å; R388-V392 WeakPolarHBondContact O-CG2 3.4Å; R388-V392 PolarHBondContact O-N 2.95Å
389	Y	88.7	Confident	79.8	Confident	74 Å²	74	50.5 Å²	50.5	29%	0.29	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-41.7	174.2	168.7	-88.8	0	0	0	111.6	L315 L375 H385 L386 C387 R393	L315-Y389 HydrophobicContact CD1-CD1 4.33Å; L315-Y389 HydrophobicContact CD1-CE1 4.34Å; L375-Y389 HydrophobicContact CD2-CD1 3.93Å; L375-Y389 HydrophobicContact CD2-CE1 3.5Å; H385-Y389 WeakPolarHBondContact O-CB 3.26Å; H385-Y389 PolarHBondContact O-N 3.01Å; L386-Y389 WeakPolarHBondContact O-CB 3.31Å; L386-Y389 PolarHBondContact O-N 3.45Å; C387-Y389 VanDerWaalsContact C-N 3.33Å; C387-Y389 PolarHBondContact O-N 3.39Å; Y389-R393 WeakPolarHBondContact O-CB 3.34Å; Y389-R393 PolarHBondContact O-N 3.46Å; Y389-R393 WeakPolarHBondContact OH-CD 3.38Å; Y389-R393 PolarHBondContact OH-NE 3.28Å
390	L	86.1	Confident	78	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-51.8	175.3	-77.4	171.9	0	0	0	112	L315 K373 L386 C387 R388 V392 R393 I394 F410 L412 Y449	L315-L390 HydrophobicContact CD1-CD1 4.19Å; L315-L390 HydrophobicContact CD1-CD2 3.78Å; L315-L390 HydrophobicContact CD1-CG 3.93Å; K373-L390 HydrophobicContact CD-CD2 3.87Å; L386-L390 WeakPolarHBondContact O-CG 3.23Å; L386-L390 PolarHBondContact O-N 3.37Å; C387-L390 WeakPolarHBondContact O-CB 3.45Å; C387-L390 PolarHBondContact O-N 2.91Å; C387-L390 VanDerWaalsContact O-N 3.15Å; R388-L390 VanDerWaalsContact C-N 3.3Å; R388-L390 PolarHBondContact O-N 3.08Å; L390-V392 PolarHBondContact O-N 3.09Å; L390-R393 PolarHBondContact O-N 3.27Å; L390-I394 HydrophobicContact CD2-CD1 4.41Å; L390-I394 VanDerWaalsContact O-CB 3.28Å; L390-I394 WeakPolarHBondContact O-CB 3.27Å; L390-I394 VanDerWaalsContact O-CG1 3.27Å; L390-I394 WeakPolarHBondContact O-CG1 3.32Å; L390-I394 PolarHBondContact O-N 3.46Å; L390-F410 HydrophobicContact CB-CB 4Å; L390-F410 HydrophobicContact CB-CD2 3.91Å; L390-F410 HydrophobicContact CB-CG 3.88Å; L390-F410 HydrophobicContact CD1-CB 4.08Å; L390-F410 HydrophobicContact CD1-CG 4.39Å; L390-L412 HydrophobicContact CD1-CD2 4.04Å; L390-Y449 HydrophobicContact CD1-CD1 4.32Å; L390-Y449 HydrophobicContact CD1-CD2 4.42Å; L390-Y449 HydrophobicContact CD1-CG 3.85Å; L390-Y449 HydrophobicContact CD2-CD1 4.24Å; L390-Y449 HydrophobicContact CD2-CE1 4.48Å; L390-Y449 HydrophobicContact CD2-CG 4.3Å
391	T	82	Confident	76.4	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-52.7	176.6	-64	0	0	0	0	110.8	C387 R388 R393 N395 V408	C387-T391 PolarHBondContact O-N 3.28Å; C387-T391 PolarHBondContact O-OG1 3.13Å; R388-T391 PolarHBondContact O-N 3.33Å; T391-R393 PolarHBondContact O-N 2.71Å; T391-N395 VanDerWaalsContact O-CB 3.23Å; T391-N395 WeakPolarHBondContact O-CB 3.5Å; T391-N395 PolarHBondContact O-N 2.95Å; T391-V408 VanDerWaalsContact CG2-O 3.29Å; T391-V408 WeakPolarHBondContact CG2-O 3.24Å; T391-V408 PolarHBondContact OG1-O 3.01Å
392	V	76.8	Confident	74.1	Confident	87 Å²	87	60.6 Å²	60.6	53%	0.527	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-44.6	-179.2	171.4	0	0	0	0	111.5	R388 L390 L396	R388-V392 WeakPolarHBondContact O-CB 3.29Å; R388-V392 VanDerWaalsContact O-CG2 3.3Å; R388-V392 WeakPolarHBondContact O-CG2 3.4Å; R388-V392 PolarHBondContact O-N 2.95Å; L390-V392 PolarHBondContact O-N 3.09Å; V392-L396 HydrophobicContact CG1-CD1 3.79Å; V392-L396 HydrophobicContact CG1-CG 4.42Å; V392-L396 VanDerWaalsContact O-CB 3.29Å; V392-L396 WeakPolarHBondContact O-CB 3.38Å; V392-L396 WeakPolarHBondContact O-CD1 3.13Å; V392-L396 WeakPolarHBondContact O-CG 3.38Å; V392-L396 PolarHBondContact O-N 3.46Å
393	R	77.6	Confident	71.9	Confident	124 Å²	124	64.5 Å²	64.5	47%	0.468	30%	0.303	S	S	.	.	H	α-helix	trans	-74.1	-33.6	-176.6	-166.2	166	-179	93	-7.7	112.8	Y389 L390 T391 Q397	Y389-R393 WeakPolarHBondContact O-CB 3.34Å; Y389-R393 PolarHBondContact O-N 3.46Å; Y389-R393 WeakPolarHBondContact OH-CD 3.38Å; Y389-R393 PolarHBondContact OH-NE 3.28Å; L390-R393 PolarHBondContact O-N 3.27Å; T391-R393 PolarHBondContact O-N 2.71Å; R393-Q397 VanDerWaalsContact O-CG 3.28Å; R393-Q397 WeakPolarHBondContact O-CG 3.45Å; R393-Q397 PolarHBondContact O-N 2.91Å; R393-Q397 VanDerWaalsContact O-N 3.16Å; R393-Q397 PolarHBondContact O-OE1 2.89Å
394	I	71.5	Confident	69.9	Low	6 Å²	6	66.8 Å²	66.8	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-72.7	-42.1	173.9	-67.9	171.6	0	0	0	110	K373 L390 L396 Q397 R398 F410 Y449	K373-I394 VanDerWaalsContact NZ-CD1 3.28Å; L390-I394 HydrophobicContact CD2-CD1 4.41Å; L390-I394 VanDerWaalsContact O-CB 3.28Å; L390-I394 WeakPolarHBondContact O-CB 3.27Å; L390-I394 VanDerWaalsContact O-CG1 3.27Å; L390-I394 WeakPolarHBondContact O-CG1 3.32Å; L390-I394 PolarHBondContact O-N 3.46Å; I394-L396 PolarHBondContact O-N 3.43Å; I394-Q397 CarbonylContact O-C 3.59Å; I394-Q397 WeakPolarHBondContact O-CA 3.4Å; I394-Q397 WeakPolarHBondContact O-CB 3.42Å; I394-Q397 PolarHBondContact O-N 2.9Å; I394-R398 HydrophobicContact CG2-CG 4.27Å; I394-R398 PolarHBondContact O-N 3.37Å; I394-F410 HydrophobicContact CB-CE2 4.26Å; I394-F410 HydrophobicContact CB-CZ 4.36Å; I394-F410 HydrophobicContact CD1-CD1 4.34Å; I394-F410 HydrophobicContact CD1-CD2 4.32Å; I394-F410 HydrophobicContact CD1-CE1 3.6Å; I394-F410 HydrophobicContact CD1-CE2 3.56Å; I394-F410 HydrophobicContact CD1-CZ 3.17Å; I394-F410 HydrophobicContact CG1-CE2 4.43Å; I394-F410 HydrophobicContact CG1-CZ 4.3Å; I394-F410 HydrophobicContact CG2-CE2 4.46Å; I394-F410 HydrophobicContact CG2-CZ 4.24Å; I394-Y449 HydrophobicContact CD1-CE2 4.47Å
395	N	62.7	Low	68.1	Low	20 Å²	20	67.1 Å²	67.1	11%	0.107	32%	0.321	C	S	.	.	H	α-helix	trans	-65.4	-38.3	174.6	-73.3	-5	0	0	0	111.2	T391 Q397 R398 I399 D405	T391-N395 VanDerWaalsContact O-CB 3.23Å; T391-N395 WeakPolarHBondContact O-CB 3.5Å; T391-N395 PolarHBondContact O-N 2.95Å; N395-Q397 PolarHBondContact O-N 3.15Å; N395-R398 PolarHBondContact O-N 3.42Å; N395-I399 HydrophobicContact CB-CD1 4.42Å; N395-I399 VanDerWaalsContact O-CB 3.24Å; N395-I399 WeakPolarHBondContact O-CB 3.33Å; N395-I399 WeakPolarHBondContact O-CD1 3.37Å; N395-I399 WeakPolarHBondContact O-CG1 3.45Å; N395-I399 PolarHBondContact O-N 2.94Å; N395-D405 PolarHBondContact ND2-O 2.74Å; N395-D405 VanDerWaalsContact ND2-O 3.1Å
396	L	62.5	Low	66.4	Low	92 Å²	92	71.2 Å²	71.2	48%	0.482	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-26.4	170.7	-78.7	166.8	0	0	0	113.9	V392 I394 N400	V392-L396 HydrophobicContact CG1-CD1 3.79Å; V392-L396 HydrophobicContact CG1-CG 4.42Å; V392-L396 VanDerWaalsContact O-CB 3.29Å; V392-L396 WeakPolarHBondContact O-CB 3.38Å; V392-L396 WeakPolarHBondContact O-CD1 3.13Å; V392-L396 WeakPolarHBondContact O-CG 3.38Å; V392-L396 PolarHBondContact O-N 3.46Å; I394-L396 PolarHBondContact O-N 3.43Å; L396-N400 PolarHBondContact O-ND2 3.19Å
397	Q	61.8	Low	65	Low	78 Å²	78	76 Å²	76	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-78.7	-46.8	172.2	-72.4	169.1	-44	0	0	111.1	R393 I394 N395 N400	R393-Q397 VanDerWaalsContact O-CG 3.28Å; R393-Q397 WeakPolarHBondContact O-CG 3.45Å; R393-Q397 PolarHBondContact O-N 2.91Å; R393-Q397 VanDerWaalsContact O-N 3.16Å; R393-Q397 PolarHBondContact O-OE1 2.89Å; I394-Q397 CarbonylContact O-C 3.59Å; I394-Q397 WeakPolarHBondContact O-CA 3.4Å; I394-Q397 WeakPolarHBondContact O-CB 3.42Å; I394-Q397 PolarHBondContact O-N 2.9Å; N395-Q397 PolarHBondContact O-N 3.15Å; Q397-N400 PolarHBondContact O-N 3.44Å; Q397-N400 PolarHBondContact O-ND2 2.74Å
398	R	57.9	Low	64	Low	47 Å²	47	75.5 Å²	75.5	18%	0.177	37%	0.37	C	S	.	.	H	α-helix	trans	-71.2	-31	-179.9	-70.3	-175	-179.3	178.9	3.3	114.7	N369 I394 N395 N400 R401 E402	N369-R398 PolarHBondContact OD1-NH2 3.38Å; I394-R398 HydrophobicContact CG2-CG 4.27Å; I394-R398 PolarHBondContact O-N 3.37Å; N395-R398 PolarHBondContact O-N 3.42Å; R398-N400 PolarHBondContact O-N 3.35Å; R398-R401 CarbonylContact O-C 3.59Å; R398-R401 WeakPolarHBondContact O-CA 3.29Å; R398-R401 PolarHBondContact O-N 3.17Å; R398-E402 PolarHBondContact O-N 3.17Å
399	I	47.4	Very low	63.6	Low	59 Å²	59	75.6 Å²	75.6	30%	0.303	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21	176.4	-76.2	163.1	0	0	0	112.1	N395	N395-I399 HydrophobicContact CB-CD1 4.42Å; N395-I399 VanDerWaalsContact O-CB 3.24Å; N395-I399 WeakPolarHBondContact O-CB 3.33Å; N395-I399 WeakPolarHBondContact O-CD1 3.37Å; N395-I399 WeakPolarHBondContact O-CG1 3.45Å; N395-I399 PolarHBondContact O-N 2.94Å
400	N	48.2	Very low	63.4	Low	51 Å²	51	72.1 Å²	72.1	27%	0.273	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.8	172.5	-54.4	-61.3	0	0	0	114.7	R36 L396 Q397 R398	R36-N400 PolarHBondContact NE-OD1 2.92Å; R36-N400 PolarHBondContact NH2-OD1 3Å; L396-N400 PolarHBondContact O-ND2 3.19Å; Q397-N400 PolarHBondContact O-N 3.44Å; Q397-N400 PolarHBondContact O-ND2 2.74Å; R398-N400 PolarHBondContact O-N 3.35Å
401	R	54.7	Low	63.5	Low	157 Å²	157	73 Å²	73	59%	0.592	36%	0.362	S	S	*	.	S	Bend	trans	-127.6	15.8	-172.8	-80.2	-172.1	164.3	-161.7	-5.3	113.3	D366 R398	D366-R401 IonicContact OD1-NH1 3.03Å; D366-R401 PolarHBondContact OD1-NH1 2.94Å; R398-R401 CarbonylContact O-C 3.59Å; R398-R401 WeakPolarHBondContact O-CA 3.29Å; R398-R401 PolarHBondContact O-N 3.17Å
402	E	43.2	Very low	64	Low	135 Å²	135	71.7 Å²	71.7	63%	0.631	35%	0.353	S	S	*	.	S	Bend	trans	73.1	159.1	-175.8	-45.4	-171.6	139.1	0	0	113.6	K119 R398	K119-E402 IonicContact NZ-OE1 2.93Å; R398-E402 PolarHBondContact O-N 3.17Å
403	V	47.3	Very low	64.6	Low	108 Å²	108	68.8 Å²	68.8	66%	0.655	33%	0.333	S	S	*	.			trans	60	111.3	-171.5	-165.8	0	0	0	0	115.8
404	S	49.4	Very low	65.2	Low	49 Å²	49	62.9 Å²	62.9	34%	0.343	31%	0.311	S	S	.	.			trans	-93.3	98	166.2	46.3	0	0	0	0	108.7	R123 E406	R123-S404 PolarHBondContact NH2-OG 3.39Å; S404-E406 PolarHBondContact O-N 3.01Å
405	D	54	Low	66	Low	48 Å²	48	65.4 Å²	65.4	26%	0.257	32%	0.321	S	S	.	.			trans	-89.7	87.6	174.7	-168.1	4	0	0	0	107.8	N395 S407 V408 R451	N395-D405 PolarHBondContact ND2-O 2.74Å; N395-D405 VanDerWaalsContact ND2-O 3.1Å; D405-S407 PolarHBondContact O-N 3.41Å; D405-V408 HydrophobicContact CB-CG2 3.66Å; D405-V408 WeakPolarHBondContact O-CG2 3.29Å; D405-V408 WeakPolarHBondContact OD2-CG2 3.49Å; D405-R451 IonicContact OD2-NH2 3.99Å; D405-R451 PolarHBondContact OD2-NH2 3.41Å; D405-R451 VanDerWaalsContact OD2-NH2 3.07Å
406	E	56	Low	67	Low	176 Å²	176	67.9 Å²	67.9	82%	0.822	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13	178.5	-77.2	-168.5	132.2	0	0	112.6	S404 V408	S404-E406 PolarHBondContact O-N 3.01Å; E406-V408 VanDerWaalsContact C-N 3.3Å; E406-V408 PolarHBondContact O-N 3.14Å
407	S	62.1	Low	67.8	Low	106 Å²	106	71.1 Å²	71.1	74%	0.741	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-8	179	-52	0	0	0	0	114	D405 R409	D405-S407 PolarHBondContact O-N 3.41Å; S407-R409 PolarHBondContact O-N 3.38Å
408	V	68.2	Low	68.7	Low	2 Å²	2	72.3 Å²	72.3	1%	0.012	36%	0.361	C	S	.	.			trans	-76.8	90.5	-174.5	-165.7	0	0	0	0	112.1	T391 D405 E406 F410 R451	T391-V408 VanDerWaalsContact CG2-O 3.29Å; T391-V408 WeakPolarHBondContact CG2-O 3.24Å; T391-V408 PolarHBondContact OG1-O 3.01Å; D405-V408 HydrophobicContact CB-CG2 3.66Å; D405-V408 WeakPolarHBondContact O-CG2 3.29Å; D405-V408 WeakPolarHBondContact OD2-CG2 3.49Å; E406-V408 VanDerWaalsContact C-N 3.3Å; E406-V408 PolarHBondContact O-N 3.14Å; V408-F410 HydrophobicContact CB-CE2 4.32Å; V408-F410 HydrophobicContact CG1-CD2 4.24Å; V408-F410 HydrophobicContact CG1-CE1 4.47Å; V408-F410 HydrophobicContact CG1-CE2 3.44Å; V408-F410 VanDerWaalsContact CG1-CE2 3.44Å; V408-F410 HydrophobicContact CG1-CZ 3.55Å; V408-R451 HydrophobicContact CG1-CG 3.73Å
409	R	78.2	Confident	69.9	Low	139 Å²	139	73.8 Å²	73.8	53%	0.525	38%	0.375	S	S	.	.			trans	-80.3	140.8	165.6	-168.2	167	-176.4	-162.4	4.1	110.4	S407 R451 D452	S407-R409 PolarHBondContact O-N 3.38Å; R409-R451 WeakPolarHBondContact O-CA 3.34Å; R409-D452 HydrophobicContact CB-CB 3.96Å; R409-D452 WeakPolarHBondContact CD-OD2 3.28Å; R409-D452 HydrophobicContact CG-CB 4.42Å; R409-D452 IonicContact NH1-OD2 3.39Å; R409-D452 PolarHBondContact O-N 3.23Å
410	F	84.6	Confident	71.6	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.009	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.7	171.5	-72.8	-85.9	0	0	0	110.4	C387 L390 I394 V408 Y449 A450 R451	C387-F410 WeakPolarHBondContact CB-O 3.45Å; C387-F410 PolarHBondContact SG-O 3.05Å; L390-F410 HydrophobicContact CB-CB 4Å; L390-F410 HydrophobicContact CB-CD2 3.91Å; L390-F410 HydrophobicContact CB-CG 3.88Å; L390-F410 HydrophobicContact CD1-CB 4.08Å; L390-F410 HydrophobicContact CD1-CG 4.39Å; I394-F410 HydrophobicContact CB-CE2 4.26Å; I394-F410 HydrophobicContact CB-CZ 4.36Å; I394-F410 HydrophobicContact CD1-CD1 4.34Å; I394-F410 HydrophobicContact CD1-CD2 4.32Å; I394-F410 HydrophobicContact CD1-CE1 3.6Å; I394-F410 HydrophobicContact CD1-CE2 3.56Å; I394-F410 HydrophobicContact CD1-CZ 3.17Å; I394-F410 HydrophobicContact CG1-CE2 4.43Å; I394-F410 HydrophobicContact CG1-CZ 4.3Å; I394-F410 HydrophobicContact CG2-CE2 4.46Å; I394-F410 HydrophobicContact CG2-CZ 4.24Å; V408-F410 HydrophobicContact CB-CE2 4.32Å; V408-F410 HydrophobicContact CG1-CD2 4.24Å; V408-F410 HydrophobicContact CG1-CE1 4.47Å; V408-F410 HydrophobicContact CG1-CE2 3.44Å; V408-F410 VanDerWaalsContact CG1-CE2 3.44Å; V408-F410 HydrophobicContact CG1-CZ 3.55Å; F410-Y449 AromaticContact CD1-CD2 3.89Å; F410-Y449 HydrophobicContact CD1-CD2 3.89Å; F410-Y449 HydrophobicContact CE1-CD2 4.07Å; F410-Y449 HydrophobicContact CE1-CE2 4.38Å; F410-A450 WeakPolarHBondContact CA-O 3.38Å; F410-A450 VanDerWaalsContact CD1-O 3.3Å; F410-A450 WeakPolarHBondContact CD1-O 3.42Å; F410-R451 HydrophobicContact CD1-CG 4.37Å; F410-R451 HydrophobicContact CE1-CG 3.65Å; F410-R451 HydrophobicContact CZ-CG 3.9Å
411	I	88.6	Confident	73.4	Confident	19 Å²	19	77.3 Å²	77.3	10%	0.097	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.1	173.1	54.2	176.2	0	0	0	109.4	Y413 L424 Y449 A450 D452 L455	I411-Y413 HydrophobicContact CD1-CE2 3.91Å; I411-Y413 VanDerWaalsContact CD1-OH 3.25Å; I411-Y413 WeakPolarHBondContact CD1-OH 3.45Å; I411-Y413 HydrophobicContact CG1-CE2 3.97Å; I411-L424 HydrophobicContact CB-CD1 4.1Å; I411-L424 HydrophobicContact CD1-CD1 4.35Å; I411-Y449 WeakPolarHBondContact O-CA 3.32Å; I411-A450 HydrophobicContact CG1-CB 4.21Å; I411-A450 PolarHBondContact N-O 3.47Å; I411-A450 PolarHBondContact O-N 3.4Å; I411-A450 VanDerWaalsContact O-N 3.08Å; I411-D452 HydrophobicContact CG2-CB 4.42Å; I411-D452 VanDerWaalsContact CG2-OD1 3.28Å; I411-D452 WeakPolarHBondContact CG2-OD1 3.44Å; I411-L455 HydrophobicContact CD1-CD1 3.46Å; I411-L455 VanDerWaalsContact CD1-CD1 3.46Å; I411-L455 HydrophobicContact CD1-CG 4.2Å
412	L	91	Very high	75	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.5	-176.1	-74.9	167.7	0	0	0	111.2	L315 V383 L386 L390 L425 L447 Y448	L315-L412 HydrophobicContact CD2-CD2 4.09Å; V383-L412 HydrophobicContact CG1-CB 4.15Å; V383-L412 HydrophobicContact CG1-CD1 4.13Å; L386-L412 HydrophobicContact CB-CD1 3.52Å; L386-L412 HydrophobicContact CD1-CD1 4.11Å; L386-L412 HydrophobicContact CG-CD1 4.49Å; L390-L412 HydrophobicContact CD1-CD2 4.04Å; L412-L425 HydrophobicContact CB-CD1 4.19Å; L412-L425 WeakPolarHBondContact O-CB 3.35Å; L412-L425 PolarHBondContact O-N 2.93Å; L412-L447 HydrophobicContact CD2-CB 4.28Å; L412-Y448 CarbonylContact C-O 3.57Å; L412-Y448 WeakPolarHBondContact CA-O 3.34Å
413	Y	90.4	Very high	77	Confident	25 Å²	25	72 Å²	72	10%	0.098	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.6	178	-58.8	-97.1	0	0	0	110	H318 I411 Q423 L424 Y448 A450	H318-Y413 AromaticContact CD2-CD2 3.95Å; I411-Y413 HydrophobicContact CD1-CE2 3.91Å; I411-Y413 VanDerWaalsContact CD1-OH 3.25Å; I411-Y413 WeakPolarHBondContact CD1-OH 3.45Å; I411-Y413 HydrophobicContact CG1-CE2 3.97Å; Y413-Q423 CarbonylContact C-O 3.59Å; Y413-Q423 WeakPolarHBondContact CA-O 3.44Å; Y413-L424 HydrophobicContact CD1-CB 4.2Å; Y413-L424 HydrophobicContact CD1-CD1 4.39Å; Y413-L424 HydrophobicContact CE1-CB 4.08Å; Y413-L424 HydrophobicContact CE1-CD1 4.02Å; Y413-Y448 PolarHBondContact N-O 3.4Å; Y413-Y448 PolarHBondContact O-N 2.97Å; Y413-A450 HydrophobicContact CE2-CB 4.03Å
414	S	90	Very high	79	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.007	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	158.3	156.1	53.2	0	0	0	0	110.1	Y422 Q423 Q438	S414-Y422 CarbonylContact O-C 3.56Å; S414-Y422 WeakPolarHBondContact O-CA 3.45Å; S414-Q423 PolarHBondContact N-O 3.31Å; S414-Q423 PolarHBondContact O-N 2.95Å; S414-Q438 PolarHBondContact OG-NE2 2.66Å; S414-Q438 PolarHBondContact OG-OE1 3.09Å
415	Y	87.4	Confident	81	Confident	59 Å²	59	69.8 Å²	69.8	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.9	172.9	173.4	-106	0	0	0	109	E417 N420 Y422 Y448	Y415-E417 HydrophobicContact CD1-CG 4.15Å; Y415-E417 HydrophobicContact CE1-CB 4.38Å; Y415-E417 HydrophobicContact CE1-CG 3.91Å; Y415-N420 WeakPolarHBondContact CE2-OD1 3.38Å; Y415-N420 PolarHBondContact OH-OD1 3.28Å; Y415-Y422 HydrophobicContact CD2-CD1 4.05Å; Y415-Y422 HydrophobicContact CD2-CD2 4.44Å; Y415-Y422 AromaticContact CD2-CE1 3.59Å; Y415-Y422 HydrophobicContact CD2-CE1 3.59Å; Y415-Y422 HydrophobicContact CD2-CE2 4.02Å; Y415-Y422 HydrophobicContact CD2-CG 4.44Å; Y415-Y422 AromaticContact CD2-CZ 3.55Å; Y415-Y422 HydrophobicContact CE2-CE2 4.36Å; Y415-Y422 HydrophobicContact CG-CE1 4.04Å; Y415-Y448 VanDerWaalsContact CB-CE2 3.42Å; Y415-Y448 HydrophobicContact CG-CE2 4.34Å
416	H	83.8	Confident	82.6	Confident	71 Å²	71	72 Å²	72	33%	0.329	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.7	-178.2	-169.5	-119	0	0	0	109.8	S418 T419 N420 T421	H416-S418 VanDerWaalsContact C-N 3.31Å; H416-S418 PolarHBondContact CE1-OG 3.08Å; H416-S418 PolarHBondContact ND1-OG 2.99Å; H416-S418 PolarHBondContact O-N 2.89Å; H416-T419 PolarHBondContact ND1-OG1 3.02Å; H416-T419 PolarHBondContact O-N 3.45Å; H416-N420 PolarHBondContact O-N 2.89Å; H416-T421 PolarHBondContact N-O 2.74Å
417	E	80	Confident	84	Confident	161 Å²	161	65.4 Å²	65.4	75%	0.752	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.6	-170.1	-56.8	-163.7	141.3	0	0	113.4	Y415 T419	Y415-E417 HydrophobicContact CD1-CG 4.15Å; Y415-E417 HydrophobicContact CE1-CB 4.38Å; Y415-E417 HydrophobicContact CE1-CG 3.91Å; E417-T419 PolarHBondContact O-N 3.2Å
418	S	80.8	Confident	85.2	Confident	102 Å²	102	67.6 Å²	67.6	71%	0.713	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-24.9	-175.1	65.8	0	0	0	0	114.1	H416	H416-S418 VanDerWaalsContact C-N 3.31Å; H416-S418 PolarHBondContact CE1-OG 3.08Å; H416-S418 PolarHBondContact ND1-OG 2.99Å; H416-S418 PolarHBondContact O-N 2.89Å
419	T	83.1	Confident	86.1	Confident	79 Å²	79	69.4 Å²	69.4	49%	0.485	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-10.7	175.5	52.4	0	0	0	0	113	H416 E417 T421	H416-T419 PolarHBondContact ND1-OG1 3.02Å; H416-T419 PolarHBondContact O-N 3.45Å; E417-T419 PolarHBondContact O-N 3.2Å; T419-T421 VanDerWaalsContact C-N 3.25Å; T419-T421 PolarHBondContact O-N 3.26Å; T419-T421 PolarHBondContact OG1-OG1 3.31Å
420	N	83.5	Confident	86.7	Confident	113 Å²	113	64 Å²	64	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	42.5	-173.9	-168.8	10.9	0	0	0	112.1	Y415 H416	Y415-N420 WeakPolarHBondContact CE2-OD1 3.38Å; Y415-N420 PolarHBondContact OH-OD1 3.28Å; H416-N420 PolarHBondContact O-N 2.89Å
421	T	85.6	Confident	86.8	Confident	70 Å²	70	63.9 Å²	63.9	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.9	-177.7	53.7	0	0	0	0	111.7	H416 T419	H416-T421 PolarHBondContact N-O 2.74Å; T419-T421 VanDerWaalsContact C-N 3.25Å; T419-T421 PolarHBondContact O-N 3.26Å; T419-T421 PolarHBondContact OG1-OG1 3.31Å
422	Y	86.8	Confident	86.6	Confident	73 Å²	73	66.6 Å²	66.6	29%	0.286	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.5	168.3	-66.5	-82.2	0	0	0	109.9	H318 P319 S414 Y415 Y448	H318-Y422 AromaticContact CD2-CD1 3.68Å; H318-Y422 AromaticContact CD2-CG 3.62Å; H318-Y422 AromaticContact NE2-CD1 3.86Å; H318-Y422 AromaticContact NE2-CD2 3.43Å; H318-Y422 WeakPolarHBondContact NE2-CD2 3.16Å; H318-Y422 AromaticContact NE2-CG 3.28Å; H318-Y422 VanDerWaalsContact NE2-CG 3.28Å; P319-Y422 HydrophobicContact CG-CE1 4.48Å; P319-Y422 HydrophobicContact CG-CE2 3.75Å; P319-Y422 WeakPolarHBondContact CG-OH 3.28Å; S414-Y422 CarbonylContact O-C 3.56Å; S414-Y422 WeakPolarHBondContact O-CA 3.45Å; Y415-Y422 HydrophobicContact CD2-CD1 4.05Å; Y415-Y422 HydrophobicContact CD2-CD2 4.44Å; Y415-Y422 AromaticContact CD2-CE1 3.59Å; Y415-Y422 HydrophobicContact CD2-CE1 3.59Å; Y415-Y422 HydrophobicContact CD2-CE2 4.02Å; Y415-Y422 HydrophobicContact CD2-CG 4.44Å; Y415-Y422 AromaticContact CD2-CZ 3.55Å; Y415-Y422 HydrophobicContact CE2-CE2 4.36Å; Y415-Y422 HydrophobicContact CG-CE1 4.04Å; Y422-Y448 HydrophobicContact CD1-CD2 4.15Å; Y422-Y448 HydrophobicContact CD1-CG 4.09Å; Y422-Y448 AromaticContact CE1-CD1 3.75Å; Y422-Y448 HydrophobicContact CE1-CD1 3.75Å; Y422-Y448 AromaticContact CE1-CD2 3.74Å; Y422-Y448 HydrophobicContact CE1-CD2 3.74Å; Y422-Y448 HydrophobicContact CE1-CE1 4.02Å; Y422-Y448 HydrophobicContact CE1-CE2 4.04Å; Y422-Y448 AromaticContact CE1-CG 3.61Å; Y422-Y448 HydrophobicContact CE1-CG 3.61Å
423	Q	87.1	Confident	86.3	Confident	109 Å²	109	70.3 Å²	70.3	51%	0.509	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.7	178.2	-179	177.2	-5.7	0	0	109.5	Y413 S414	Y413-Q423 CarbonylContact C-O 3.59Å; Y413-Q423 WeakPolarHBondContact CA-O 3.44Å; S414-Q423 PolarHBondContact N-O 3.31Å; S414-Q423 PolarHBondContact O-N 2.95Å
424	L	89.5	Confident	86	Confident	99 Å²	99	69.3 Å²	69.3	52%	0.518	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.5	176.1	-177.7	67.4	0	0	0	109.9	I411 Y413	I411-L424 HydrophobicContact CB-CD1 4.1Å; I411-L424 HydrophobicContact CD1-CD1 4.35Å; Y413-L424 HydrophobicContact CD1-CB 4.2Å; Y413-L424 HydrophobicContact CD1-CD1 4.39Å; Y413-L424 HydrophobicContact CE1-CB 4.08Å; Y413-L424 HydrophobicContact CE1-CD1 4.02Å
425	L	89.3	Confident	85.5	Confident	10 Å²	10	70.4 Å²	70.4	5%	0.052	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-94.1	135.4	178.3	-62	170.5	0	0	0	110.5	V383 L412 M429 I434 L447	V383-L425 HydrophobicContact CG1-CB 4.23Å; V383-L425 HydrophobicContact CG2-CB 3.89Å; V383-L425 HydrophobicContact CG2-CD1 4.43Å; L412-L425 HydrophobicContact CB-CD1 4.19Å; L412-L425 WeakPolarHBondContact O-CB 3.35Å; L412-L425 PolarHBondContact O-N 2.93Å; L425-M429 HydrophobicContact CB-CE 4.39Å; L425-M429 HydrophobicContact CD2-CE 3.51Å; L425-I434 HydrophobicContact CD1-CD1 4.01Å; L425-I434 HydrophobicContact CD2-CD1 4.4Å; L425-I434 HydrophobicContact CD2-CG1 4.29Å; L425-L447 HydrophobicContact CD1-CD2 3.69Å
426	D	87.9	Confident	84.9	Confident	95 Å²	95	74.2 Å²	74.2	51%	0.508	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-69.8	142.9	176	-174.5	20.7	0	0	0	111.3	V383 H428 M429	V383-D426 VanDerWaalsContact CB-O 3.26Å; V383-D426 WeakPolarHBondContact CB-O 3.47Å; V383-D426 WeakPolarHBondContact CG2-O 3.34Å; D426-H428 PolarHBondContact O-N 3.09Å; D426-H428 VanDerWaalsContact O-N 3.16Å; D426-H428 IonicContact OD1-CD2 3.26Å; D426-H428 IonicContact OD2-CD2 3.52Å; D426-M429 WeakPolarHBondContact O-CB 3.37Å; D426-M429 PolarHBondContact O-N 2.79Å; D426-M429 VanDerWaalsContact O-N 3.13Å
427	S	86.1	Confident	84.1	Confident	38 Å²	38	76.4 Å²	76.4	27%	0.266	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.9	-177	-67.2	0	0	0	0	113.1	D384	D384-S427 VanDerWaalsContact CB-O 3.23Å; D384-S427 WeakPolarHBondContact CB-O 3.26Å; D384-S427 PolarHBondContact N-O 3.47Å
428	H	86.8	Confident	83.2	Confident	152 Å²	152	71.2 Å²	71.2	70%	0.704	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-16.9	-177.5	-62.5	-66.2	0	0	0	114.2	D426	D426-H428 PolarHBondContact O-N 3.09Å; D426-H428 VanDerWaalsContact O-N 3.16Å; D426-H428 IonicContact OD1-CD2 3.26Å; D426-H428 IonicContact OD2-CD2 3.52Å
429	M	88.1	Confident	82.1	Confident	40 Å²	40	68.8 Å²	68.8	20%	0.197	35%	0.346	C	S	.	.			trans	-68	136.2	-173.3	-159.1	146.3	64.1	0	0	110.9	T382 V383 L425 D426 E433 I434	T382-M429 CarbonylContact C-O 3.49Å; T382-M429 VanDerWaalsContact CA-O 3.31Å; T382-M429 WeakPolarHBondContact CA-O 3.38Å; V383-M429 HydrophobicContact CG2-CB 4.28Å; V383-M429 PolarHBondContact N-O 3.2Å; L425-M429 HydrophobicContact CB-CE 4.39Å; L425-M429 HydrophobicContact CD2-CE 3.51Å; D426-M429 WeakPolarHBondContact O-CB 3.37Å; D426-M429 PolarHBondContact O-N 2.79Å; D426-M429 VanDerWaalsContact O-N 3.13Å; M429-E433 HydrophobicContact CG-CB 3.97Å; M429-E433 HydrophobicContact CG-CG 3.85Å; M429-E433 HydrophobicContact SD-CG 4.22Å; M429-I434 HydrophobicContact CE-CG1 4.02Å; M429-I434 HydrophobicContact CG-CG1 4.02Å
430	S	89.8	Confident	80.7	Confident	24 Å²	24	73.3 Å²	73.3	17%	0.168	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-86	154.9	178.3	65.5	0	0	0	0	111.7	E432 E433 I434	S430-E432 PolarHBondContact O-N 2.81Å; S430-E433 PolarHBondContact N-OE2 2.89Å; S430-E433 WeakPolarHBondContact O-CB 3.5Å; S430-E433 PolarHBondContact O-N 3.1Å; S430-E433 VanDerWaalsContact O-N 3.09Å; S430-E433 WeakPolarHBondContact OG-CB 3.23Å; S430-E433 PolarHBondContact OG-N 2.86Å; S430-I434 WeakPolarHBondContact O-CG1 3.4Å; S430-I434 PolarHBondContact O-N 2.65Å; S430-I434 VanDerWaalsContact O-N 3.08Å
431	I	86.6	Confident	79.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-59	-34.9	173.2	-64	170.3	0	0	0	110.8	I311 V313 A377 T379 T381 L386 E433 I434 S435 L445	I311-I431 HydrophobicContact CD1-CG2 4.2Å; I311-I431 HydrophobicContact CG2-CG2 3.51Å; V313-I431 HydrophobicContact CG2-CD1 3.95Å; A377-I431 HydrophobicContact CB-CD1 3.79Å; T379-I431 PolarHBondContact O-N 3.25Å; T381-I431 HydrophobicContact CG2-CD1 4.14Å; T381-I431 WeakPolarHBondContact O-CG1 3.42Å; T381-I431 PolarHBondContact O-N 3.05Å; L386-I431 HydrophobicContact CD1-CD1 4.07Å; L386-I431 HydrophobicContact CD1-CG1 4.15Å; L386-I431 HydrophobicContact CD2-CD1 4.49Å; I431-E433 VanDerWaalsContact C-N 3.29Å; I431-E433 PolarHBondContact O-N 3.36Å; I431-I434 PolarHBondContact O-N 3.02Å; I431-S435 VanDerWaalsContact O-CB 3.26Å; I431-S435 WeakPolarHBondContact O-CB 3.35Å; I431-S435 PolarHBondContact O-N 3.45Å; I431-L445 HydrophobicContact CG2-CD2 3.81Å
432	E	84.1	Confident	78.2	Confident	76 Å²	76	70.5 Å²	70.5	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-58.9	-39.6	175.1	-153.2	-176.2	108.7	0	0	113.1	T379 S430 R436	T379-E432 PolarHBondContact O-N 2.97Å; T379-E432 VanDerWaalsContact O-N 3.08Å; T379-E432 PolarHBondContact OG1-OE2 3.24Å; S430-E432 PolarHBondContact O-N 2.81Å; E432-R436 WeakPolarHBondContact O-CB 3.32Å; E432-R436 WeakPolarHBondContact O-CG 3.43Å; E432-R436 PolarHBondContact O-N 2.82Å; E432-R436 IonicContact OE1-CZ 2.74Å; E432-R436 IonicContact OE1-NE 3.07Å; E432-R436 PolarHBondContact OE1-NE 3.17Å; E432-R436 IonicContact OE1-NH2 3.99Å; E432-R436 PolarHBondContact OE1-NH2 2.78Å
433	E	84.9	Confident	77.4	Confident	79 Å²	79	73.4 Å²	73.4	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-73.1	-44.9	-179.5	-168.5	164	-150.9	0	0	111	M429 S430 I431 S435 R436 D437	M429-E433 HydrophobicContact CG-CB 3.97Å; M429-E433 HydrophobicContact CG-CG 3.85Å; M429-E433 HydrophobicContact SD-CG 4.22Å; S430-E433 PolarHBondContact N-OE2 2.89Å; S430-E433 WeakPolarHBondContact O-CB 3.5Å; S430-E433 PolarHBondContact O-N 3.1Å; S430-E433 VanDerWaalsContact O-N 3.09Å; S430-E433 WeakPolarHBondContact OG-CB 3.23Å; S430-E433 PolarHBondContact OG-N 2.86Å; I431-E433 VanDerWaalsContact C-N 3.29Å; I431-E433 PolarHBondContact O-N 3.36Å; E433-S435 VanDerWaalsContact C-N 3.29Å; E433-S435 PolarHBondContact O-N 2.81Å; E433-R436 PolarHBondContact O-N 2.9Å; E433-D437 PolarHBondContact O-N 3.42Å
434	I	84.3	Confident	77.1	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-58.7	-42.8	172.1	-56	163.9	0	0	0	110.9	V383 L425 M429 S430 I431 Q438 L445 L447	V383-I434 HydrophobicContact CG2-CD1 3.79Å; L425-I434 HydrophobicContact CD1-CD1 4.01Å; L425-I434 HydrophobicContact CD2-CD1 4.4Å; L425-I434 HydrophobicContact CD2-CG1 4.29Å; M429-I434 HydrophobicContact CE-CG1 4.02Å; M429-I434 HydrophobicContact CG-CG1 4.02Å; S430-I434 WeakPolarHBondContact O-CG1 3.4Å; S430-I434 PolarHBondContact O-N 2.65Å; S430-I434 VanDerWaalsContact O-N 3.08Å; I431-I434 PolarHBondContact O-N 3.02Å; I434-Q438 PolarHBondContact O-N 2.75Å; I434-L445 HydrophobicContact CB-CD2 4.14Å; I434-L445 HydrophobicContact CG2-CD1 3.94Å; I434-L445 HydrophobicContact CG2-CD2 3.83Å; I434-L447 HydrophobicContact CG2-CD2 4.41Å
435	S	79.4	Confident	76.9	Confident	25 Å²	25	69.7 Å²	69.7	18%	0.175	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-38.9	178.1	-174.7	0	0	0	0	112	I431 E433 F439	I431-S435 VanDerWaalsContact O-CB 3.26Å; I431-S435 WeakPolarHBondContact O-CB 3.35Å; I431-S435 PolarHBondContact O-N 3.45Å; E433-S435 VanDerWaalsContact C-N 3.29Å; E433-S435 PolarHBondContact O-N 2.81Å; S435-F439 CarbonylContact O-C 3.6Å; S435-F439 VanDerWaalsContact O-C 3.27Å; S435-F439 WeakPolarHBondContact O-CA 3.35Å; S435-F439 PolarHBondContact O-N 3.13Å; S435-F439 VanDerWaalsContact O-O 3.07Å
436	R	76.1	Confident	76.9	Confident	139 Å²	139	71.1 Å²	71.1	53%	0.525	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-43.9	176.7	-83.8	-171.8	-103.4	127.8	-10.8	112.2	E432 E433	E432-R436 WeakPolarHBondContact O-CB 3.32Å; E432-R436 WeakPolarHBondContact O-CG 3.43Å; E432-R436 PolarHBondContact O-N 2.82Å; E432-R436 IonicContact OE1-CZ 2.74Å; E432-R436 IonicContact OE1-NE 3.07Å; E432-R436 PolarHBondContact OE1-NE 3.17Å; E432-R436 IonicContact OE1-NH2 3.99Å; E432-R436 PolarHBondContact OE1-NH2 2.78Å; E433-R436 PolarHBondContact O-N 2.9Å
437	D	66.4	Low	77	Confident	117 Å²	117	66.6 Å²	66.6	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-76.7	-28.8	-172.7	-72.9	-5.4	0	0	0	113.6	E433	E433-D437 PolarHBondContact O-N 3.42Å
438	Q	60.2	Low	77.3	Confident	52 Å²	52	66.2 Å²	66.2	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-122.3	-23.5	-171.7	-65	-175.9	-11.7	0	0	115.3	S414 I434	S414-Q438 PolarHBondContact OG-NE2 2.66Å; S414-Q438 PolarHBondContact OG-OE1 3.09Å; I434-Q438 PolarHBondContact O-N 2.75Å
439	F	58	Low	77.4	Confident	51 Å²	51	59.2 Å²	59.2	22%	0.224	30%	0.303	C	S	.	.			trans	-134.9	78	-165.5	-64.4	-75.1	0	0	0	112.9	S435 G441 V442 L445	S435-F439 CarbonylContact O-C 3.6Å; S435-F439 VanDerWaalsContact O-C 3.27Å; S435-F439 WeakPolarHBondContact O-CA 3.35Å; S435-F439 PolarHBondContact O-N 3.13Å; S435-F439 VanDerWaalsContact O-O 3.07Å; F439-G441 PolarHBondContact O-N 3.5Å; F439-V442 HydrophobicContact CB-CG2 4Å; F439-V442 HydrophobicContact CD1-CG2 4.42Å; F439-L445 HydrophobicContact CD2-CD1 3.34Å; F439-L445 HydrophobicContact CE2-CD1 3.46Å; F439-L445 VanDerWaalsContact CE2-CD1 3.46Å; F439-L445 HydrophobicContact CG-CD1 4.28Å; F439-L445 HydrophobicContact CZ-CD1 4.47Å
440	H	54.8	Low	77.3	Confident	173 Å²	173	57.6 Å²	57.6	80%	0.801	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	97.3	178.9	-77.7	62.3	0	0	0	112.4
441	G	55.5	Low	76.9	Confident	77 Å²	77	58.1 Å²	58.1	79%	0.794	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	17.3	168.5	0	0	0	0	0	116.1	F439	F439-G441 PolarHBondContact O-N 3.5Å
442	V	61.7	Low	76.5	Confident	47 Å²	47	60.7 Å²	60.7	29%	0.285	31%	0.308	S	S	.	.			trans	-97.9	128.5	179.5	-144.9	0	0	0	0	110.4	F439 Y444	F439-V442 HydrophobicContact CB-CG2 4Å; F439-V442 HydrophobicContact CD1-CG2 4.42Å; V442-Y444 HydrophobicContact CG1-CD1 3.61Å; V442-Y444 HydrophobicContact CG1-CE1 3.26Å; V442-Y444 HydrophobicContact CG1-CE2 4.46Å; V442-Y444 HydrophobicContact CG1-CG 4.33Å; V442-Y444 PolarHBondContact O-N 3.29Å
443	N	68.2	Low	75.6	Confident	134 Å²	134	60.9 Å²	60.9	72%	0.717	31%	0.312	S	S	*	.	S	Bend	trans	-78.8	8	-177.6	-65.4	-33.8	0	0	0	114.3	I311 E312	I311-N443 WeakPolarHBondContact CG1-O 3.44Å; E312-N443 PolarHBondContact N-O 3.3Å; E312-N443 VanDerWaalsContact N-O 3.17Å
444	Y	81.1	Confident	74.3	Confident	129 Å²	129	59.1 Å²	59.1	51%	0.506	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.7	178.6	70.1	-93.5	0	0	0	111.5	E312 V442	E312-Y444 CarbonylContact O-C 3.27Å; E312-Y444 WeakPolarHBondContact O-CA 3.44Å; V442-Y444 HydrophobicContact CG1-CD1 3.61Å; V442-Y444 HydrophobicContact CG1-CE1 3.26Å; V442-Y444 HydrophobicContact CG1-CE2 4.46Å; V442-Y444 HydrophobicContact CG1-CG 4.33Å; V442-Y444 PolarHBondContact O-N 3.29Å
445	L	86.2	Confident	72.6	Confident	1 Å²	1	63 Å²	63	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.6	179.4	-177.1	64.7	0	0	0	111.6	I311 E312 V313 L314 I431 I434 F439 L447	I311-L445 HydrophobicContact CD1-CB 4.37Å; E312-L445 PolarHBondContact O-N 3.37Å; V313-L445 WeakPolarHBondContact CA-O 3.34Å; L314-L445 PolarHBondContact N-O 3.5Å; I431-L445 HydrophobicContact CG2-CD2 3.81Å; I434-L445 HydrophobicContact CB-CD2 4.14Å; I434-L445 HydrophobicContact CG2-CD1 3.94Å; I434-L445 HydrophobicContact CG2-CD2 3.83Å; F439-L445 HydrophobicContact CD2-CD1 3.34Å; F439-L445 HydrophobicContact CE2-CD1 3.46Å; F439-L445 VanDerWaalsContact CE2-CD1 3.46Å; F439-L445 HydrophobicContact CG-CD1 4.28Å; F439-L445 HydrophobicContact CZ-CD1 4.47Å; L445-L447 HydrophobicContact CD1-CD2 4.3Å; L445-L447 HydrophobicContact CD2-CD1 4.08Å; L445-L447 HydrophobicContact CD2-CD2 3.91Å; L445-L447 HydrophobicContact CD2-CG 4.01Å; L445-L447 HydrophobicContact CG-CD2 3.89Å; L445-L447 HydrophobicContact CG-CG 3.97Å
446	D	88	Confident	71	Confident	40 Å²	40	68.7 Å²	68.7	21%	0.214	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.8	174.9	-87.8	-17.6	0	0	0	110.9	L314 K316	L314-D446 WeakPolarHBondContact CB-OD1 3.47Å; L314-D446 WeakPolarHBondContact CD2-OD1 3.41Å; K316-D446 WeakPolarHBondContact CE-OD1 3.33Å; K316-D446 IonicContact NZ-OD1 3.87Å; K316-D446 PolarHBondContact NZ-OD1 3.09Å; K316-D446 VanDerWaalsContact NZ-OD1 3.12Å; K316-D446 IonicContact NZ-OD2 2.71Å; K316-D446 PolarHBondContact NZ-OD2 2.89Å
447	L	91.2	Very high	69.7	Low	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.3	176.8	-59.5	-178.3	0	0	0	111.2	V313 L314 L315 K316 L386 L412 L425 I434 L445	V313-L447 HydrophobicContact CG1-CD1 4.15Å; V313-L447 HydrophobicContact CG1-CG 4.48Å; L314-L447 PolarHBondContact O-N 3.36Å; L315-L447 CarbonylContact C-O 3.52Å; L315-L447 WeakPolarHBondContact CA-O 3.15Å; L315-L447 HydrophobicContact CD2-CB 3.89Å; L315-L447 HydrophobicContact CD2-CD1 4.22Å; K316-L447 PolarHBondContact N-O 3.36Å; L386-L447 HydrophobicContact CD1-CD1 3.81Å; L412-L447 HydrophobicContact CD2-CB 4.28Å; L425-L447 HydrophobicContact CD1-CD2 3.69Å; I434-L447 HydrophobicContact CG2-CD2 4.41Å; L445-L447 HydrophobicContact CD1-CD2 4.3Å; L445-L447 HydrophobicContact CD2-CD1 4.08Å; L445-L447 HydrophobicContact CD2-CD2 3.91Å; L445-L447 HydrophobicContact CD2-CG 4.01Å; L445-L447 HydrophobicContact CG-CD2 3.89Å; L445-L447 HydrophobicContact CG-CG 3.97Å
448	Y	91.2	Very high	68.6	Low	31 Å²	31	70.4 Å²	70.4	12%	0.122	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.8	-177.1	-62.4	-98.1	0	0	0	110.6	K316 L412 Y413 Y415 Y422	K316-Y448 HydrophobicContact CB-CD1 3.83Å; K316-Y448 HydrophobicContact CB-CE1 3.9Å; K316-Y448 HydrophobicContact CD-CE1 3.82Å; K316-Y448 HydrophobicContact CG-CE1 4.48Å; K316-Y448 CarbonylContact O-C 3.57Å; K316-Y448 VanDerWaalsContact O-CA 3.23Å; K316-Y448 WeakPolarHBondContact O-CA 3.49Å; L412-Y448 CarbonylContact C-O 3.57Å; L412-Y448 WeakPolarHBondContact CA-O 3.34Å; Y413-Y448 PolarHBondContact N-O 3.4Å; Y413-Y448 PolarHBondContact O-N 2.97Å; Y415-Y448 VanDerWaalsContact CB-CE2 3.42Å; Y415-Y448 HydrophobicContact CG-CE2 4.34Å; Y422-Y448 HydrophobicContact CD1-CD2 4.15Å; Y422-Y448 HydrophobicContact CD1-CG 4.09Å; Y422-Y448 AromaticContact CE1-CD1 3.75Å; Y422-Y448 HydrophobicContact CE1-CD1 3.75Å; Y422-Y448 AromaticContact CE1-CD2 3.74Å; Y422-Y448 HydrophobicContact CE1-CD2 3.74Å; Y422-Y448 HydrophobicContact CE1-CE1 4.02Å; Y422-Y448 HydrophobicContact CE1-CE2 4.04Å; Y422-Y448 AromaticContact CE1-CG 3.61Å; Y422-Y448 HydrophobicContact CE1-CG 3.61Å
449	Y	90.2	Very high	67.4	Low	4 Å²	4	75.3 Å²	75.3	2%	0.016	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.9	-178.5	70.8	-94.7	0	0	0	113.2	L315 K316 H318 L371 L390 I394 F410 I411	L315-Y449 HydrophobicContact CB-CD1 4.01Å; L315-Y449 HydrophobicContact CB-CE1 4.39Å; K316-Y449 WeakPolarHBondContact O-CD1 3.33Å; K316-Y449 PolarHBondContact O-N 3.07Å; H318-Y449 WeakPolarHBondContact CB-O 3.25Å; H318-Y449 PolarHBondContact N-O 2.65Å; L371-Y449 PolarHBondContact O-OH 3.43Å; L390-Y449 HydrophobicContact CD1-CD1 4.32Å; L390-Y449 HydrophobicContact CD1-CD2 4.42Å; L390-Y449 HydrophobicContact CD1-CG 3.85Å; L390-Y449 HydrophobicContact CD2-CD1 4.24Å; L390-Y449 HydrophobicContact CD2-CE1 4.48Å; L390-Y449 HydrophobicContact CD2-CG 4.3Å; I394-Y449 HydrophobicContact CD1-CE2 4.47Å; F410-Y449 AromaticContact CD1-CD2 3.89Å; F410-Y449 HydrophobicContact CD1-CD2 3.89Å; F410-Y449 HydrophobicContact CE1-CD2 4.07Å; F410-Y449 HydrophobicContact CE1-CE2 4.38Å; I411-Y449 WeakPolarHBondContact O-CA 3.32Å
450	A	85.8	Confident	66.1	Low	7 Å²	7	83 Å²	83	6%	0.058	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.8	169	0	0	0	0	0	110.2	H318 Y321 F410 I411 Y413	H318-A450 HydrophobicContact CB-CB 4.14Å; Y321-A450 HydrophobicContact CD2-CB 4.44Å; F410-A450 WeakPolarHBondContact CA-O 3.38Å; F410-A450 VanDerWaalsContact CD1-O 3.3Å; F410-A450 WeakPolarHBondContact CD1-O 3.42Å; I411-A450 HydrophobicContact CG1-CB 4.21Å; I411-A450 PolarHBondContact N-O 3.47Å; I411-A450 PolarHBondContact O-N 3.4Å; I411-A450 VanDerWaalsContact O-N 3.08Å; Y413-A450 HydrophobicContact CE2-CB 4.03Å
451	R	82	Confident	66.7	Low	34 Å²	34	78.5 Å²	78.5	13%	0.128	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	147	164.6	-65.7	170.3	64.2	141.7	13.2	109.4	Y321 D405 V408 R409 F410 D453 I454	Y321-R451 HydrophobicContact CE2-CB 3.97Å; Y321-R451 HydrophobicContact CE2-CG 3.59Å; Y321-R451 WeakPolarHBondContact OH-CD 3.3Å; D405-R451 IonicContact OD2-NH2 3.99Å; D405-R451 PolarHBondContact OD2-NH2 3.41Å; D405-R451 VanDerWaalsContact OD2-NH2 3.07Å; V408-R451 HydrophobicContact CG1-CG 3.73Å; R409-R451 WeakPolarHBondContact O-CA 3.34Å; F410-R451 HydrophobicContact CD1-CG 4.37Å; F410-R451 HydrophobicContact CE1-CG 3.65Å; F410-R451 HydrophobicContact CZ-CG 3.9Å; R451-D453 VanDerWaalsContact C-N 3.31Å; R451-D453 WeakPolarHBondContact CB-OD1 3.43Å; R451-D453 IonicContact CZ-OD1 3.63Å; R451-D453 IonicContact CZ-OD2 3.33Å; R451-D453 VanDerWaalsContact NE-CG 3.34Å; R451-D453 IonicContact NE-OD1 2.65Å; R451-D453 PolarHBondContact NE-OD1 3.29Å; R451-D453 IonicContact NE-OD2 3.88Å; R451-D453 PolarHBondContact NE-OD2 3.23Å; R451-D453 IonicContact NH2-OD2 2.89Å; R451-D453 PolarHBondContact NH2-OD2 3.44Å; R451-I454 HydrophobicContact CB-CD1 4.36Å
452	D	76.6	Confident	67.3	Low	55 Å²	55	78.5 Å²	78.5	29%	0.294	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-67.2	-32.6	179.5	-143.4	13.6	0	0	0	111.8	R409 I411 I454 L455	R409-D452 HydrophobicContact CB-CB 3.96Å; R409-D452 WeakPolarHBondContact CD-OD2 3.28Å; R409-D452 HydrophobicContact CG-CB 4.42Å; R409-D452 IonicContact NH1-OD2 3.39Å; R409-D452 PolarHBondContact O-N 3.23Å; I411-D452 HydrophobicContact CG2-CB 4.42Å; I411-D452 VanDerWaalsContact CG2-OD1 3.28Å; I411-D452 WeakPolarHBondContact CG2-OD1 3.44Å; D452-I454 PolarHBondContact O-N 3.49Å; D452-L455 PolarHBondContact O-N 3.4Å
453	D	66	Low	67.6	Low	80 Å²	80	80.3 Å²	80.3	43%	0.428	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-68.9	3.6	-177.8	59	7.6	0	0	0	116	R451	R451-D453 VanDerWaalsContact C-N 3.31Å; R451-D453 WeakPolarHBondContact CB-OD1 3.43Å; R451-D453 IonicContact CZ-OD1 3.63Å; R451-D453 IonicContact CZ-OD2 3.33Å; R451-D453 VanDerWaalsContact NE-CG 3.34Å; R451-D453 IonicContact NE-OD1 2.65Å; R451-D453 PolarHBondContact NE-OD1 3.29Å; R451-D453 IonicContact NE-OD2 3.88Å; R451-D453 PolarHBondContact NE-OD2 3.23Å; R451-D453 IonicContact NH2-OD2 2.89Å; R451-D453 PolarHBondContact NH2-OD2 3.44Å
454	I	56.8	Low	67.5	Low	42 Å²	42	77.1 Å²	77.1	22%	0.215	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-97.4	-1.3	175.8	-68.5	165.3	0	0	0	111.6	Y321 R451 D452	Y321-I454 HydrophobicContact CD2-CD1 3.4Å; Y321-I454 HydrophobicContact CE2-CD1 3.42Å; Y321-I454 VanDerWaalsContact CE2-CD1 3.42Å; R451-I454 HydrophobicContact CB-CD1 4.36Å; D452-I454 PolarHBondContact O-N 3.49Å
455	L	49.8	Very low	66.7	Low	86 Å²	86	73.9 Å²	73.9	45%	0.45	40%	0.399	S	S	.	.	S	Bend	trans	-98.8	-10.4	-176	-65.6	-173.8	0	0	0	115.9	I411 D452	I411-L455 HydrophobicContact CD1-CD1 3.46Å; I411-L455 VanDerWaalsContact CD1-CD1 3.46Å; I411-L455 HydrophobicContact CD1-CG 4.2Å; D452-L455 PolarHBondContact O-N 3.4Å
456	D	45.9	Very low	65.4	Low	143 Å²	143	78.7 Å²	78.7	77%	0.765	43%	0.425	S	S	*	.	S	Bend	trans	-84.6	-13.2	-175.5	-70.5	-35.3	0	0	0	114.7	N458	D456-N458 VanDerWaalsContact C-N 3.33Å; D456-N458 PolarHBondContact O-N 3.47Å
457	D	48	Very low	63.8	Low	144 Å²	144	81.5 Å²	81.5	77%	0.77	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	15.5	-173.3	-79.3	-22	0	0	0	115.8
458	N	42.9	Very low	61.7	Low	149 Å²	149	87.8 Å²	87.8	80%	0.797	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	33	-175.3	-77.3	-91.6	0	0	0	115.2	D456	D456-N458 VanDerWaalsContact C-N 3.33Å; D456-N458 PolarHBondContact O-N 3.47Å
459	N	34.6	Very low	59.2	Low	154 Å²	154	92.5 Å²	92.5	82%	0.824	50%	0.504	S	S	*	.			trans	-129.8	68.3	170.6	-165.4	35.4	0	0	0	111.7
460	T	31.6	Very low	56.4	Low	212 Å²	212	100.5 Å²	100.5	100%	1.301	55%	0.548	S	S	*	.			trans	-153.3	0	167	-29.1	0	0	0	0	110.5

Retrieved 460 of 460 residues in 85.4 ms (Link to these results)

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