A0A061IPE8_CRIGR Loading...

Leucine-rich repeat-containing protein 17

Involved in bone homeostasis. Acts as a negative regulator of RANKL-induced osteoclast precursor differentiation from bone marrow precursors.

AlphaFold DB , UniProt , Accession A0A061IPE8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Lrrc17, Length 441 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	37.8	Very low	236 Å²	236	167.7 Å²	167.7	100%	1.163	87%	0.872	S	S	*	*				0	123.5	0	-78.7	-170.4	-113.2	0	0	109
2	R	38	Very low	37.5	Very low	233 Å²	233	171.1 Å²	171.1	88%	0.879	88%	0.876	S	S	*	*			trans	53.5	75.4	156.8	-59.7	-174.4	177.5	-177.4	-0.4	119.5
3	I	35.7	Very low	36.9	Very low	167 Å²	167	168.5 Å²	168.5	86%	0.856	88%	0.879	S	S	*	*	S	Bend	trans	-157.4	68	134.9	-49.9	-175.6	0	0	0	108.9
4	V	36.5	Very low	36.4	Very low	131 Å²	131	173.9 Å²	173.9	79%	0.794	88%	0.883	S	S	*	*			trans	-158.7	85	160.7	-172.5	0	0	0	0	107.2
5	T	45.1	Very low	36	Very low	134 Å²	134	169.1 Å²	169.1	82%	0.822	88%	0.879	S	S	*	*			trans	-154.4	14.7	174.5	6.3	0	0	0	0	114.6
6	I	40.9	Very low	35.6	Very low	161 Å²	161	165.3 Å²	165.3	83%	0.826	88%	0.88	S	S	*	*	S	Bend	trans	-141.6	81.6	174.2	-53.7	177.1	0	0	0	106.6
7	L	35.2	Very low	35.3	Very low	168 Å²	168	165.6 Å²	165.6	88%	0.88	88%	0.875	S	S	*	*	S	Bend	trans	178	29.8	160.7	-97.1	165.7	0	0	0	113.2
8	I	38.7	Very low	34.8	Very low	157 Å²	157	164 Å²	164	81%	0.805	87%	0.867	S	S	*	*			trans	-135.4	58.2	173.2	-48.7	179.4	0	0	0	110.4
9	L	35.6	Very low	34.5	Very low	176 Å²	176	165.6 Å²	165.6	92%	0.921	87%	0.869	S	S	*	*	S	Bend	trans	-140.4	31	170.3	-98.2	166.9	0	0	0	112.3
10	L	38.1	Very low	34.2	Very low	169 Å²	169	167 Å²	167	89%	0.885	87%	0.867	S	S	*	*	S	Bend	trans	-127.4	12.6	177.4	-92.4	167.6	0	0	0	115.1
11	C	36.8	Very low	33.8	Very low	113 Å²	113	164 Å²	164	76%	0.764	87%	0.866	S	S	*	*	S	Bend	trans	-139	44.4	-176.9	-83.2	0	0	0	0	115
12	F	33.3	Very low	33.5	Very low	208 Å²	208	158.4 Å²	158.4	91%	0.912	85%	0.851	S	S	*	*			trans	-151.9	89.4	161.4	-83.8	-73.2	0	0	0	111.7
13	C	30.2	Very low	33.4	Very low	137 Å²	137	152.8 Å²	152.8	93%	0.926	84%	0.844	S	S	*	*			trans	-157.9	75	152.8	-94.3	0	0	0	0	108.5
14	R	30.2	Very low	33.1	Very low	245 Å²	245	148.7 Å²	148.7	93%	0.925	84%	0.843	S	S	*	*			trans	-128.5	133.1	153.5	-88.4	-155.5	173.5	-165.9	0.5	108.8
15	A	30.1	Very low	32.7	Very low	101 Å²	101	148.7 Å²	148.7	84%	0.835	84%	0.844	S	S	*	*			trans	64.9	107.2	162.2	0	0	0	0	0	117.7
16	A	29.8	Very low	32	Very low	108 Å²	108	150.6 Å²	150.6	89%	0.893	85%	0.848	S	S	*	*			trans	-141.5	111.7	137.5	0	0	0	0	0	108.3
17	E	30	Very low	31.3	Very low	171 Å²	171	153.7 Å²	153.7	80%	0.799	85%	0.849	S	S	*	*			trans	-77.3	155.7	175	-70	-179.3	142.9	0	0	112
18	L	27	Very low	31.1	Very low	137 Å²	137	151.1 Å²	151.1	72%	0.717	85%	0.845	S	S	*	*			trans	26.2	116.7	147.9	-77.7	94.7	0	0	0	119.8
19	H	29.5	Very low	30.6	Very low	195 Å²	195	151.5 Å²	151.5	90%	0.903	84%	0.844	S	S	*	*			trans	-117	111.7	140.3	-91.4	-75.1	0	0	0	110.9
20	K	27.6	Very low	30.3	Very low	193 Å²	193	149.8 Å²	149.8	84%	0.839	84%	0.841	S	S	*	*			trans	-65.7	135.1	159.5	-88.1	173.3	171.8	172	0	109.3
21	A	26.1	Very low	30	Very low	103 Å²	103	148.5 Å²	148.5	85%	0.851	83%	0.834	S	S	*	*			trans	-131.1	126	154.1	0	0	0	0	0	108.8
22	S	30	Very low	30.2	Very low	119 Å²	119	148.6 Å²	148.6	83%	0.832	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-77.1	166.9	-179	-141.2	0	0	0	0	111.5
23	P	35.1	Very low	30.1	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-90.9	140.5	-157.2	35.1	-31.7	0	0	0	113.9
24	G	28.7	Very low	30.1	Very low	81 Å²	81	149.8 Å²	149.8	84%	0.835	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-80.4	121.2	165.1	0	0	0	0	0	111
25	T	28.5	Very low	30.1	Very low	131 Å²	131	144 Å²	144	80%	0.804	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73.9	130.8	176.6	-1.2	0	0	0	0	110
26	L	29.8	Very low	30	Very low	175 Å²	175	151.3 Å²	151.3	92%	0.916	84%	0.835	S	S	*	*			trans	-147.3	110.3	151.3	-108.7	147	0	0	0	109.4
27	R	27.6	Very low	30	Very low	225 Å²	225	151.4 Å²	151.4	85%	0.849	84%	0.836	S	S	*	*			trans	-66.9	137.7	171.2	-79.3	170.7	161.9	169.6	-6.4	109.6
28	S	30	Very low	29.9	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	83%	0.834	S	S	*	*			trans	-146.5	106.2	141.4	134.7	0	0	0	0	107.5
29	Q	29	Very low	30	Very low	166 Å²	166	144.4 Å²	144.4	78%	0.776	84%	0.843	S	S	*	*			trans	-72.4	129.9	168.7	-78.9	170	-54.9	0	0	109.4
30	V	29.8	Very low	30.1	Very low	140 Å²	140	140.6 Å²	140.6	85%	0.848	84%	0.838	S	S	*	*			trans	-135.5	122.3	142.4	-178.7	0	0	0	0	106.7
31	N	31.9	Very low	30.7	Very low	141 Å²	141	143 Å²	143	75%	0.754	84%	0.842	S	S	*	*			trans	-100.8	174.1	-176	-118.1	-0.6	0	0	0	110.2
32	P	40.9	Very low	31.1	Very low	115 Å²	115	147.8 Å²	147.8	75%	0.747	84%	0.843	S	S	*	*				-111.1	165.5	-128	40.9	-33.1	0	0	0	113.9
33	S	29.6	Very low	31.3	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	84%	0.837	S	S	*	*			trans	-126.2	124.1	158.5	52.5	0	0	0	0	111
34	R	30.2	Very low	31.4	Very low	248 Å²	248	146.6 Å²	146.6	94%	0.936	84%	0.839	S	S	*	*			trans	-77.1	138.3	172.5	-82.8	170.4	158.1	169.3	-5.5	109.7
35	S	30.2	Very low	31.8	Very low	124 Å²	124	148.5 Å²	148.5	87%	0.867	84%	0.835	S	S	*	*			trans	-146.7	122.7	145.7	47.5	0	0	0	0	110
36	R	29.3	Very low	32.1	Very low	253 Å²	253	150.3 Å²	150.3	96%	0.955	83%	0.831	S	S	*	*			trans	-78.1	146.2	175.1	-82.3	173.7	163.5	172	-5.9	111
37	A	28.8	Very low	32.4	Very low	111 Å²	111	153 Å²	153	92%	0.917	83%	0.83	S	S	*	*			trans	140.2	139.8	150	0	0	0	0	0	107.1
38	G	29.3	Very low	32.8	Very low	74 Å²	74	149.3 Å²	149.3	76%	0.763	82%	0.817	S	S	*	*			cis	-171.9	155.7	6.5	0	0	0	0	0	105.7
39	G	28.9	Very low	33.2	Very low	87 Å²	87	148 Å²	148	90%	0.897	81%	0.812	S	S	*	*			trans	-66	146.4	-168.2	0	0	0	0	0	115.1
40	S	31.4	Very low	34	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	82%	0.815	S	S	*	*			trans	-151.2	111.8	143	-163.3	0	0	0	0	108.8	K42	S40-K42 PolarHBondContact O-N 3.4Å
41	R	40.1	Very low	35.3	Very low	244 Å²	244	141.9 Å²	141.9	92%	0.921	80%	0.799	S	S	*	*			trans	-67.4	119.1	170	-78.7	175	167.4	170.1	-4.3	107.9
42	K	33.8	Very low	36.8	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	80%	0.795	S	S	*	*			trans	-164.5	132.7	149.5	-106	161	-169	-172.8	0	112.5	S40	S40-K42 PolarHBondContact O-N 3.4Å
43	A	34.7	Very low	38.7	Very low	84 Å²	84	140.8 Å²	140.8	69%	0.694	79%	0.792	S	S	*	*			trans	67.1	124.4	170.9	0	0	0	0	0	118.4	V45	A43-V45 PolarHBondContact O-N 2.73Å
44	P	36.7	Very low	41.6	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	76%	0.76	S	S	*	*			trans	-69.8	103.9	162.8	30.7	-27.1	0	0	0	106.4	K46	P44-K46 VanDerWaalsContact C-N 3.32Å; P44-K46 PolarHBondContact O-N 2.69Å
45	V	36.6	Very low	44.6	Very low	122 Å²	122	128.6 Å²	128.6	74%	0.739	74%	0.737	S	S	*	*			trans	-56.7	107.1	158.7	177.3	0	0	0	0	104.8	A43 R47	A43-V45 PolarHBondContact O-N 2.73Å; V45-R47 PolarHBondContact O-N 2.83Å
46	K	36.1	Very low	47.6	Very low	168 Å²	168	126 Å²	126	73%	0.73	72%	0.716	S	S	*	*			trans	-57.6	91.5	168.2	-80.1	-179.2	177.8	177	0	106.1	P44 Y48	P44-K46 VanDerWaalsContact C-N 3.32Å; P44-K46 PolarHBondContact O-N 2.69Å; K46-Y48 HydrophobicContact CB-CD2 4.27Å; K46-Y48 HydrophobicContact CB-CE2 4.15Å; K46-Y48 HydrophobicContact CD-CE2 4.48Å; K46-Y48 PolarHBondContact O-N 3Å
47	R	35.3	Very low	50.8	Low	233 Å²	233	118.5 Å²	118.5	88%	0.879	69%	0.689	S	S	*	*			trans	-65.9	88.2	165.6	-73.1	-175.5	177	-175.1	-1.2	105.2	V45 A49	V45-R47 PolarHBondContact O-N 2.83Å; R47-A49 VanDerWaalsContact C-N 3.32Å; R47-A49 PolarHBondContact O-N 2.72Å
48	Y	37.3	Very low	53.9	Low	147 Å²	147	117.9 Å²	117.9	58%	0.576	67%	0.673	S	S	*	*			trans	-55.8	107.5	157.9	-79.8	-92.1	0	0	0	104.8	K46 Y74	K46-Y48 HydrophobicContact CB-CD2 4.27Å; K46-Y48 HydrophobicContact CB-CE2 4.15Å; K46-Y48 HydrophobicContact CD-CE2 4.48Å; K46-Y48 PolarHBondContact O-N 3Å; Y48-Y74 HydrophobicContact CE1-CE1 4.06Å
49	A	37	Very low	56.8	Low	85 Å²	85	121 Å²	121	70%	0.702	66%	0.663	S	S	*	*			trans	-49.7	130.9	163.8	0	0	0	0	0	106.5	R47 G51	R47-A49 VanDerWaalsContact C-N 3.32Å; R47-A49 PolarHBondContact O-N 2.72Å; A49-G51 PolarHBondContact O-N 2.98Å
50	P	46.5	Very low	59.8	Low	130 Å²	130	122.8 Å²	122.8	84%	0.844	65%	0.651	S	S	*	*			trans	-69.9	92.4	179.4	27.9	-29.3	0	0	0	106.5
51	G	56.6	Low	62.6	Low	48 Å²	48	126.1 Å²	126.1	50%	0.495	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-51.4	145.2	155.8	0	0	0	0	0	107.3	A49	A49-G51 PolarHBondContact O-N 2.98Å
52	L	64.1	Low	65.1	Low	129 Å²	129	116.7 Å²	116.7	68%	0.675	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-47.4	138.5	-179.3	-72.6	105.1	0	0	0	109.8	R70	L52-R70 PolarHBondContact O-NH1 3.33Å
53	P	80.8	Confident	68.1	Low	105 Å²	105	109.3 Å²	109.3	68%	0.682	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-66.6	136.6	179.9	28.5	-34.4	0	0	0	110.4	R70	P53-R70 PolarHBondContact O-NH1 2.98Å
54	C	89.6	Confident	71.1	Confident	30 Å²	30	107.2 Å²	107.2	20%	0.203	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-56.2	145.1	178.4	-58.1	0	0	0	0	112.1	L65 D66 C67	C54-L65 HydrophobicContact CB-CD1 3.62Å; C54-L65 HydrophobicContact CB-CG 4.42Å; C54-D66 WeakPolarHBondContact CA-O 3.34Å; C54-D66 WeakPolarHBondContact CB-O 3.43Å; C54-C67 HydrophobicContact CB-CB 3.99Å; C54-C67 WeakPolarHBondContact CB-SG 3.19Å; C54-C67 WeakPolarHBondContact SG-CB 3.15Å; C54-C67 CovalentContact SG-SG 2.02Å; C54-C67 PolarHBondContact SG-SG 2.75Å
55	D	93	Very high	74	Confident	85 Å²	85	101.3 Å²	101.3	46%	0.455	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.3	-178.1	-62.9	-59.5	0	0	0	110.1	D66 R70	D55-D66 PolarHBondContact N-O 3.2Å; D55-D66 PolarHBondContact O-N 2.02Å; D55-R70 IonicContact OD2-CZ 3.25Å; D55-R70 IonicContact OD2-NH2 2.69Å; D55-R70 PolarHBondContact OD2-NH2 2.64Å
56	V	95	Very high	76.8	Confident	70 Å²	70	97.1 Å²	97.1	42%	0.424	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.5	176.2	179.2	0	0	0	0	108.2	K63 Y64 L65 P80	V56-K63 HydrophobicContact CG1-CG 4.28Å; V56-Y64 WeakPolarHBondContact CA-O 2.9Å; V56-L65 HydrophobicContact CG2-CD1 3.54Å; V56-P80 HydrophobicContact CG1-CG 4.48Å; V56-P80 HydrophobicContact CG2-CG 4.31Å
57	Y	94.8	Very high	79.6	Confident	95 Å²	95	89.1 Å²	89.1	37%	0.373	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	166.4	179.7	62.2	-92.5	0	0	0	111.5	Y64 D66	Y57-Y64 HydrophobicContact CD2-CD2 4.26Å; Y57-Y64 HydrophobicContact CD2-CG 4.31Å; Y57-Y64 HydrophobicContact CE2-CD1 4.3Å; Y57-Y64 AromaticContact CE2-CD2 3.84Å; Y57-Y64 HydrophobicContact CE2-CD2 3.84Å; Y57-Y64 AromaticContact CE2-CG 3.64Å; Y57-Y64 HydrophobicContact CE2-CG 3.64Å; Y57-Y64 AromaticContact CZ-CG 3.9Å; Y57-Y64 PolarHBondContact N-O 2.87Å; Y57-Y64 VanDerWaalsContact N-O 3.12Å; Y57-Y64 PolarHBondContact O-N 3.26Å; Y57-D66 HydrophobicContact CE1-CB 3.86Å
58	T	95.4	Very high	82.4	Confident	97 Å²	97	80.4 Å²	80.4	60%	0.595	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	130	175.6	-55.7	0	0	0	0	108.9	E62	T58-E62 CarbonylContact C-O 3.59Å; T58-E62 VanDerWaalsContact CA-O 3.3Å; T58-E62 WeakPolarHBondContact CA-O 3.26Å
59	Y	89	Confident	85.1	Confident	139 Å²	139	79.3 Å²	79.3	55%	0.545	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.5	175.5	179.3	-103.8	0	0	0	108.7	H61 E62 Y64	Y59-H61 PolarHBondContact O-N 2.73Å; Y59-E62 PolarHBondContact N-O 2.89Å; Y59-E62 WeakPolarHBondContact O-CA 3.29Å; Y59-E62 WeakPolarHBondContact O-CB 3.3Å; Y59-E62 PolarHBondContact O-N 2.84Å; Y59-Y64 HydrophobicContact CD1-CE2 4.48Å
60	L	91.8	Very high	87.7	Confident	125 Å²	125	77.3 Å²	77.3	65%	0.654	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	42	-176	-63.8	175.1	0	0	0	114	E62	L60-E62 PolarHBondContact O-N 3.12Å
61	H	90.1	Very high	89.8	Confident	185 Å²	185	79.3 Å²	79.3	86%	0.856	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	13.5	-176.5	-48.9	82.5	0	0	0	115	Y59	Y59-H61 PolarHBondContact O-N 2.73Å
62	E	94.2	Very high	91.4	Very high	46 Å²	46	78.4 Å²	78.4	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.7	175.4	-57.2	-162.4	126.6	0	0	110.9	T58 Y59 L60 Y64 L84 H85 K108	T58-E62 CarbonylContact C-O 3.59Å; T58-E62 VanDerWaalsContact CA-O 3.3Å; T58-E62 WeakPolarHBondContact CA-O 3.26Å; Y59-E62 PolarHBondContact N-O 2.89Å; Y59-E62 WeakPolarHBondContact O-CA 3.29Å; Y59-E62 WeakPolarHBondContact O-CB 3.3Å; Y59-E62 PolarHBondContact O-N 2.84Å; L60-E62 PolarHBondContact O-N 3.12Å; E62-Y64 HydrophobicContact CB-CE2 3.9Å; E62-Y64 VanDerWaalsContact O-CD2 3.22Å; E62-Y64 WeakPolarHBondContact O-CD2 3.45Å; E62-Y64 WeakPolarHBondContact O-CE2 3.02Å; E62-L84 HydrophobicContact CB-CB 4.4Å; E62-L84 HydrophobicContact CB-CD1 3.76Å; E62-L84 HydrophobicContact CG-CD1 3.71Å; E62-H85 IonicContact OE1-NE2 2.67Å; E62-H85 IonicContact OE2-CD2 2.75Å; E62-H85 IonicContact OE2-CE1 2.74Å; E62-H85 IonicContact OE2-NE2 2.73Å; E62-H85 PolarHBondContact OE2-NE2 2.75Å; E62-K108 IonicContact OE1-NZ 3.88Å; E62-K108 PolarHBondContact OE1-NZ 3.4Å
63	K	96.5	Very high	92.5	Very high	48 Å²	48	76.2 Å²	76.2	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.3	-174.9	-160.6	-178.8	-172.7	172.6	0	110.7	V56 D82 L83 L84 H85	V56-K63 HydrophobicContact CG1-CG 4.28Å; K63-D82 WeakPolarHBondContact CD-OD1 3.5Å; K63-D82 VanDerWaalsContact CD-OD2 3.29Å; K63-D82 WeakPolarHBondContact CD-OD2 3.38Å; K63-D82 IonicContact NZ-OD1 2.69Å; K63-D82 PolarHBondContact NZ-OD1 2.8Å; K63-D82 IonicContact NZ-OD2 2.73Å; K63-D82 PolarHBondContact NZ-OD2 3.32Å; K63-L83 HydrophobicContact CD-CD2 4.13Å; K63-L83 HydrophobicContact CG-CD2 3.97Å; K63-L84 PolarHBondContact O-N 2.82Å; K63-H85 PolarHBondContact O-N 2.9Å
64	Y	97.6	Very high	92.8	Very high	40 Å²	40	75.7 Å²	75.7	16%	0.157	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.8	-178.3	-68.7	-104	0	0	0	110.3	V56 Y57 Y59 E62 H85	V56-Y64 WeakPolarHBondContact CA-O 2.9Å; Y57-Y64 HydrophobicContact CD2-CD2 4.26Å; Y57-Y64 HydrophobicContact CD2-CG 4.31Å; Y57-Y64 HydrophobicContact CE2-CD1 4.3Å; Y57-Y64 AromaticContact CE2-CD2 3.84Å; Y57-Y64 HydrophobicContact CE2-CD2 3.84Å; Y57-Y64 AromaticContact CE2-CG 3.64Å; Y57-Y64 HydrophobicContact CE2-CG 3.64Å; Y57-Y64 AromaticContact CZ-CG 3.9Å; Y57-Y64 PolarHBondContact N-O 2.87Å; Y57-Y64 VanDerWaalsContact N-O 3.12Å; Y57-Y64 PolarHBondContact O-N 3.26Å; Y59-Y64 HydrophobicContact CD1-CE2 4.48Å; E62-Y64 HydrophobicContact CB-CE2 3.9Å; E62-Y64 VanDerWaalsContact O-CD2 3.22Å; E62-Y64 WeakPolarHBondContact O-CD2 3.45Å; E62-Y64 WeakPolarHBondContact O-CE2 3.02Å; Y64-H85 CarbonylContact C-O 3.45Å; Y64-H85 WeakPolarHBondContact CA-O 3.32Å; Y64-H85 HydrophobicContact CD1-CB 3.29Å; Y64-H85 AromaticContact CD1-CD2 3.98Å; Y64-H85 AromaticContact CD1-CG 3.83Å; Y64-H85 HydrophobicContact CE1-CB 3.4Å; Y64-H85 AromaticContact CE1-CD2 3.42Å; Y64-H85 VanDerWaalsContact CE1-CD2 3.42Å; Y64-H85 WeakPolarHBondContact CE1-CD2 3.34Å; Y64-H85 AromaticContact CE1-CG 3.38Å; Y64-H85 AromaticContact CE2-CD2 3.52Å; Y64-H85 HydrophobicContact CG-CB 3.9Å; Y64-H85 AromaticContact CZ-CD2 3.16Å; Y64-H85 AromaticContact CZ-CG 3.66Å; Y64-H85 AromaticContact CZ-NE2 3.67Å; Y64-H85 PolarHBondContact OH-CD2 3.43Å; Y64-H85 PolarHBondContact OH-NE2 3.06Å
65	L	96.7	Very high	92.6	Very high	1 Å²	1	75 Å²	75	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.1	162.5	176	71.7	0	0	0	107.9	C54 V56 W79 L83 H85 M86 L87	C54-L65 HydrophobicContact CB-CD1 3.62Å; C54-L65 HydrophobicContact CB-CG 4.42Å; V56-L65 HydrophobicContact CG2-CD1 3.54Å; L65-W79 HydrophobicContact CD2-CB 4.11Å; L65-W79 HydrophobicContact CD2-CD2 3.36Å; L65-W79 HydrophobicContact CD2-CE3 3.3Å; L65-W79 HydrophobicContact CD2-CG 3.73Å; L65-W79 HydrophobicContact CD2-CH2 4.34Å; L65-W79 HydrophobicContact CD2-CZ2 4.41Å; L65-W79 HydrophobicContact CD2-CZ3 3.8Å; L65-L83 HydrophobicContact CB-CD1 3.61Å; L65-L83 HydrophobicContact CB-CD2 3.71Å; L65-L83 HydrophobicContact CB-CG 4.29Å; L65-L83 HydrophobicContact CD2-CD1 3.8Å; L65-L83 HydrophobicContact CG-CD1 4.26Å; L65-H85 PolarHBondContact N-O 2.9Å; L65-M86 HydrophobicContact CD2-CE 4.21Å; L65-M86 HydrophobicContact CD2-CG 4.13Å; L65-L87 PolarHBondContact O-N 3.01Å
66	D	96.1	Very high	91.9	Very high	34 Å²	34	73.4 Å²	73.4	18%	0.182	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.1	175.5	-165.8	-17.4	0	0	0	110.8	C54 D55 Y57 Q68 L87	C54-D66 WeakPolarHBondContact CA-O 3.34Å; C54-D66 WeakPolarHBondContact CB-O 3.43Å; D55-D66 PolarHBondContact N-O 3.2Å; D55-D66 PolarHBondContact O-N 2.02Å; Y57-D66 HydrophobicContact CE1-CB 3.86Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.5Å; D66-Q68 VanDerWaalsContact OD1-CG 3.25Å; D66-Q68 WeakPolarHBondContact OD1-CG 3.37Å; D66-Q68 PolarHBondContact OD1-N 2.89Å; D66-Q68 PolarHBondContact OD1-NE2 2.91Å; D66-Q68 PolarHBondContact OD2-NE2 3.43Å; D66-Q68 VanDerWaalsContact OD2-NE2 3.15Å; D66-L87 HydrophobicContact CB-CD1 4.29Å
67	C	95	Very high	90.9	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.356	C	S	.	.			trans	-119.2	28.4	175.3	-62.1	0	0	0	0	111.2	C54 R70 L72 W79 L87 L88 N91	C54-C67 HydrophobicContact CB-CB 3.99Å; C54-C67 WeakPolarHBondContact CB-SG 3.19Å; C54-C67 WeakPolarHBondContact SG-CB 3.15Å; C54-C67 CovalentContact SG-SG 2.02Å; C54-C67 PolarHBondContact SG-SG 2.75Å; C67-R70 WeakPolarHBondContact O-CG 3.3Å; C67-L72 HydrophobicContact CB-CD1 3.61Å; C67-W79 VanDerWaalsContact SG-CZ2 3.58Å; C67-L87 CarbonylContact C-O 3.59Å; C67-L87 WeakPolarHBondContact CA-O 3.21Å; C67-L87 PolarHBondContact N-O 3.24Å; C67-L88 HydrophobicContact CB-CD2 3.64Å; C67-N91 PolarHBondContact O-ND2 3.24Å
68	Q	94.4	Very high	90.3	Very high	49 Å²	49	75.8 Å²	75.8	23%	0.229	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	143.8	-179	-65.7	175.4	93.2	0	0	111.4	D66 R70 L87 A89	D66-Q68 WeakPolarHBondContact OD1-CB 3.5Å; D66-Q68 VanDerWaalsContact OD1-CG 3.25Å; D66-Q68 WeakPolarHBondContact OD1-CG 3.37Å; D66-Q68 PolarHBondContact OD1-N 2.89Å; D66-Q68 PolarHBondContact OD1-NE2 2.91Å; D66-Q68 PolarHBondContact OD2-NE2 3.43Å; D66-Q68 VanDerWaalsContact OD2-NE2 3.15Å; Q68-R70 WeakPolarHBondContact O-CG 3.43Å; Q68-R70 PolarHBondContact O-N 3.07Å; Q68-R70 PolarHBondContact O-NE 3.01Å; Q68-L87 HydrophobicContact CG-CB 3.91Å; Q68-L87 PolarHBondContact N-O 2.71Å; Q68-A89 WeakPolarHBondContact CA-O 3.42Å; Q68-A89 HydrophobicContact CG-CB 4.05Å
69	E	93.3	Very high	90	Very high	125 Å²	125	72.2 Å²	72.2	58%	0.584	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	25.2	173.2	-59.5	177.5	-156.3	0	0	115	A89 R90	E69-A89 PolarHBondContact N-O 2.92Å; E69-R90 WeakPolarHBondContact CA-O 3.49Å; E69-R90 HydrophobicContact CG-CB 3.51Å; E69-R90 HydrophobicContact CG-CG 4.24Å; E69-R90 VanDerWaalsContact OE1-CD 3.25Å; E69-R90 WeakPolarHBondContact OE1-CD 3.21Å; E69-R90 IonicContact OE1-CZ 2.7Å; E69-R90 IonicContact OE1-NE 3.75Å; E69-R90 PolarHBondContact OE1-NE 3.13Å
70	R	90.9	Very high	90.1	Very high	43 Å²	43	67.5 Å²	67.5	16%	0.162	33%	0.333	C	S	.	.	S	Bend	trans	-95.5	7.8	-177.2	-56.6	-52.3	172.7	99	-0.5	114.5	L52 P53 D55 C67 Q68 L72 N91	L52-R70 PolarHBondContact O-NH1 3.33Å; P53-R70 PolarHBondContact O-NH1 2.98Å; D55-R70 IonicContact OD2-CZ 3.25Å; D55-R70 IonicContact OD2-NH2 2.69Å; D55-R70 PolarHBondContact OD2-NH2 2.64Å; C67-R70 WeakPolarHBondContact O-CG 3.3Å; Q68-R70 WeakPolarHBondContact O-CG 3.43Å; Q68-R70 PolarHBondContact O-N 3.07Å; Q68-R70 PolarHBondContact O-NE 3.01Å; R70-L72 HydrophobicContact CB-CD1 4.37Å; R70-L72 HydrophobicContact CB-CD2 4.49Å; R70-L72 HydrophobicContact CB-CG 3.96Å; R70-L72 PolarHBondContact O-N 2.82Å; R70-N91 PolarHBondContact N-OD1 3.19Å
71	K	90.6	Very high	90.2	Very high	171 Å²	171	66.3 Å²	66.3	74%	0.743	32%	0.323	S	S	*	.			trans	56.1	30.2	-177.3	-54.5	177.1	-178.8	176.6	0	112.9	N91 K92	K71-N91 PolarHBondContact N-OD1 3.23Å; K71-K92 HydrophobicContact CB-CG 4.4Å
72	L	89.9	Confident	90.3	Very high	29 Å²	29	60.6 Å²	60.6	15%	0.152	30%	0.299	C	S	.	.			trans	-66.4	137.8	-179.6	-65.8	173.9	0	0	0	110.9	C67 R70 W79 L88 N91 K92 I93	C67-L72 HydrophobicContact CB-CD1 3.61Å; R70-L72 HydrophobicContact CB-CD1 4.37Å; R70-L72 HydrophobicContact CB-CD2 4.49Å; R70-L72 HydrophobicContact CB-CG 3.96Å; R70-L72 PolarHBondContact O-N 2.82Å; L72-W79 HydrophobicContact CD1-CH2 4.09Å; L72-W79 HydrophobicContact CD1-CZ2 4.17Å; L72-L88 HydrophobicContact CD1-CD2 4.46Å; L72-N91 HydrophobicContact CB-CB 4.13Å; L72-N91 PolarHBondContact N-OD1 3.04Å; L72-K92 CarbonylContact O-C 3.45Å; L72-K92 WeakPolarHBondContact O-CA 3.22Å; L72-K92 WeakPolarHBondContact O-CB 3.49Å; L72-K92 PolarHBondContact O-N 2.7Å; L72-I93 PolarHBondContact O-N 3.4Å; L72-I93 VanDerWaalsContact O-N 3.14Å
73	V	89.1	Confident	90.4	Very high	83 Å²	83	58.4 Å²	58.4	50%	0.503	29%	0.289	S	S	.	.	S	Bend	trans	-106.1	-17.5	174.7	-174.5	0	0	0	0	111.3	K92	V73-K92 HydrophobicContact CG2-CB 4.1Å
74	Y	85.3	Confident	90.5	Very high	95 Å²	95	56.8 Å²	56.8	37%	0.373	28%	0.282	S	S	.	.	S	Bend	trans	-152.7	159.8	-178.8	66.5	-78	0	0	0	110.8	Y48 L76	Y48-Y74 HydrophobicContact CE1-CE1 4.06Å; Y74-L76 HydrophobicContact CD2-CD2 4.38Å; Y74-L76 HydrophobicContact CE2-CD2 3.47Å; Y74-L76 VanDerWaalsContact CE2-CD2 3.47Å; Y74-L76 HydrophobicContact CE2-CG 4.32Å
75	V	85.3	Confident	90.5	Very high	16 Å²	16	55.9 Å²	55.9	10%	0.097	28%	0.28	C	S	.	.			trans	-80.2	133.9	174.5	174.6	0	0	0	0	109.3	W79 L88 M100 F101 F104	V75-W79 HydrophobicContact CB-CH2 4.41Å; V75-W79 HydrophobicContact CB-CZ3 4.02Å; V75-W79 HydrophobicContact CG1-CE3 3.67Å; V75-W79 HydrophobicContact CG1-CH2 4.19Å; V75-W79 HydrophobicContact CG1-CZ3 3.37Å; V75-W79 HydrophobicContact CG2-CZ3 4.25Å; V75-L88 HydrophobicContact CG2-CD1 3.94Å; V75-M100 HydrophobicContact CB-CG 3.91Å; V75-M100 HydrophobicContact CB-SD 4.27Å; V75-M100 HydrophobicContact CG2-CG 3.81Å; V75-M100 HydrophobicContact CG2-SD 3.72Å; V75-F101 HydrophobicContact CG2-CD1 4.36Å; V75-F101 HydrophobicContact CG2-CE1 3.57Å; V75-F101 HydrophobicContact CG2-CZ 3.89Å; V75-F104 HydrophobicContact CG1-CE2 3.97Å; V75-F104 HydrophobicContact CG1-CZ 4.42Å
76	L	79.5	Confident	90.5	Very high	51 Å²	51	55.8 Å²	55.8	27%	0.267	28%	0.279	S	S	.	.			trans	-87.8	141.6	-179.3	-66.2	162.9	0	0	0	111.7	Y74 N78 W79	Y74-L76 HydrophobicContact CD2-CD2 4.38Å; Y74-L76 HydrophobicContact CE2-CD2 3.47Å; Y74-L76 VanDerWaalsContact CE2-CD2 3.47Å; Y74-L76 HydrophobicContact CE2-CG 4.32Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 VanDerWaalsContact CB-OD1 3.3Å; L76-N78 WeakPolarHBondContact CB-OD1 3.4Å; L76-N78 PolarHBondContact O-N 3.07Å; L76-W79 HydrophobicContact CB-CD2 4.3Å; L76-W79 HydrophobicContact CB-CZ2 4.03Å; L76-W79 HydrophobicContact CD1-CZ2 4.12Å; L76-W79 HydrophobicContact CG-CZ2 4.22Å
77	P	73.9	Confident	90.6	Very high	88 Å²	88	55.6 Å²	55.6	57%	0.571	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.9	-174.8	31	-36.4	0	0	0	114.7	R103	P77-R103 PolarHBondContact O-NH1 2.73Å
78	N	81.1	Confident	90.7	Very high	126 Å²	126	55.6 Å²	55.6	67%	0.674	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	3.6	-174.2	66.5	-24.7	0	0	0	113.9	L76	L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 VanDerWaalsContact CB-OD1 3.3Å; L76-N78 WeakPolarHBondContact CB-OD1 3.4Å; L76-N78 PolarHBondContact O-N 3.07Å
79	W	90.4	Very high	90.8	Very high	22 Å²	22	53.3 Å²	53.3	8%	0.083	27%	0.267	C	S	.	.	S	Bend	trans	-71.2	153.1	177.7	-63.4	-21.4	0	0	0	112.2	L65 C67 L72 V75 L76 L83 M86 L88 F104	L65-W79 HydrophobicContact CD2-CB 4.11Å; L65-W79 HydrophobicContact CD2-CD2 3.36Å; L65-W79 HydrophobicContact CD2-CE3 3.3Å; L65-W79 HydrophobicContact CD2-CG 3.73Å; L65-W79 HydrophobicContact CD2-CH2 4.34Å; L65-W79 HydrophobicContact CD2-CZ2 4.41Å; L65-W79 HydrophobicContact CD2-CZ3 3.8Å; C67-W79 VanDerWaalsContact SG-CZ2 3.58Å; L72-W79 HydrophobicContact CD1-CH2 4.09Å; L72-W79 HydrophobicContact CD1-CZ2 4.17Å; V75-W79 HydrophobicContact CB-CH2 4.41Å; V75-W79 HydrophobicContact CB-CZ3 4.02Å; V75-W79 HydrophobicContact CG1-CE3 3.67Å; V75-W79 HydrophobicContact CG1-CH2 4.19Å; V75-W79 HydrophobicContact CG1-CZ3 3.37Å; V75-W79 HydrophobicContact CG2-CZ3 4.25Å; L76-W79 HydrophobicContact CB-CD2 4.3Å; L76-W79 HydrophobicContact CB-CZ2 4.03Å; L76-W79 HydrophobicContact CD1-CZ2 4.12Å; L76-W79 HydrophobicContact CG-CZ2 4.22Å; W79-L83 HydrophobicContact CB-CD1 4.46Å; W79-M86 HydrophobicContact CE3-CE 4.02Å; W79-M86 HydrophobicContact CE3-SD 4.18Å; W79-M86 HydrophobicContact CZ3-CE 4.35Å; W79-M86 HydrophobicContact CZ3-SD 3.88Å; W79-L88 HydrophobicContact CH2-CD2 3.83Å; W79-L88 HydrophobicContact CZ3-CD1 4.46Å; W79-L88 HydrophobicContact CZ3-CD2 3.97Å; W79-F104 HydrophobicContact CB-CE1 3.9Å; W79-F104 HydrophobicContact CB-CZ 3.99Å; W79-F104 HydrophobicContact CE3-CZ 4.12Å
80	P	91.7	Very high	91	Very high	41 Å²	41	53 Å²	53	27%	0.266	26%	0.261	S	S	.	.			trans	-58.6	140.4	179	-21.1	31.7	0	0	0	112.1	V56 D82 L83 F104	V56-P80 HydrophobicContact CG1-CG 4.48Å; V56-P80 HydrophobicContact CG2-CG 4.31Å; P80-D82 VanDerWaalsContact CB-OD1 3.26Å; P80-D82 WeakPolarHBondContact CB-OD1 3.25Å; P80-L83 HydrophobicContact CB-CD2 4.44Å; P80-L83 HydrophobicContact CB-CG 4.2Å; P80-L83 WeakPolarHBondContact O-CD1 3.42Å; P80-L83 WeakPolarHBondContact O-CG 3.38Å; P80-F104 WeakPolarHBondContact O-CD1 3.43Å; P80-F104 WeakPolarHBondContact O-CE1 3.38Å
81	Q	91.9	Very high	91.2	Very high	99 Å²	99	51 Å²	51	46%	0.463	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.4	-177	-67.3	174	39.4	0	0	113.5	L83 R103	Q81-L83 PolarHBondContact O-N 2.92Å; Q81-R103 HydrophobicContact CG-CB 4.32Å
82	D	94.2	Very high	91.4	Very high	65 Å²	65	47.5 Å²	47.5	35%	0.348	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	12.8	179.4	64.5	-32.9	0	0	0	113.3	K63 P80	K63-D82 WeakPolarHBondContact CD-OD1 3.5Å; K63-D82 VanDerWaalsContact CD-OD2 3.29Å; K63-D82 WeakPolarHBondContact CD-OD2 3.38Å; K63-D82 IonicContact NZ-OD1 2.69Å; K63-D82 PolarHBondContact NZ-OD1 2.8Å; K63-D82 IonicContact NZ-OD2 2.73Å; K63-D82 PolarHBondContact NZ-OD2 3.32Å; P80-D82 VanDerWaalsContact CB-OD1 3.26Å; P80-D82 WeakPolarHBondContact CB-OD1 3.25Å
83	L	95.9	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.			trans	-64.2	136.8	175.8	-66	170.5	0	0	0	111.1	K63 L65 W79 P80 Q81 M86 F104 R106 L107	K63-L83 HydrophobicContact CD-CD2 4.13Å; K63-L83 HydrophobicContact CG-CD2 3.97Å; L65-L83 HydrophobicContact CB-CD1 3.61Å; L65-L83 HydrophobicContact CB-CD2 3.71Å; L65-L83 HydrophobicContact CB-CG 4.29Å; L65-L83 HydrophobicContact CD2-CD1 3.8Å; L65-L83 HydrophobicContact CG-CD1 4.26Å; W79-L83 HydrophobicContact CB-CD1 4.46Å; P80-L83 HydrophobicContact CB-CD2 4.44Å; P80-L83 HydrophobicContact CB-CG 4.2Å; P80-L83 WeakPolarHBondContact O-CD1 3.42Å; P80-L83 WeakPolarHBondContact O-CG 3.38Å; Q81-L83 PolarHBondContact O-N 2.92Å; L83-M86 HydrophobicContact CD1-CE 3.99Å; L83-F104 HydrophobicContact CD1-CD1 4.18Å; L83-F104 HydrophobicContact CD1-CE1 4.14Å; L83-R106 CarbonylContact O-C 3.57Å; L83-L107 HydrophobicContact CB-CD1 4.3Å
84	L	97.4	Very high	92	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.073	23%	0.233	C	C	.	.	S	Bend	trans	-102	-27.8	170.7	-63.2	-176.2	0	0	0	111.5	E62 K63 R106 K108 S109	E62-L84 HydrophobicContact CB-CB 4.4Å; E62-L84 HydrophobicContact CB-CD1 3.76Å; E62-L84 HydrophobicContact CG-CD1 3.71Å; K63-L84 PolarHBondContact O-N 2.82Å; L84-R106 HydrophobicContact CD2-CB 3.93Å; L84-R106 WeakPolarHBondContact CD2-O 3.49Å; L84-K108 HydrophobicContact CB-CD 4.5Å; L84-K108 HydrophobicContact CD1-CD 4.49Å; L84-K108 HydrophobicContact CD2-CD 4.43Å; L84-K108 HydrophobicContact CD2-CG 4.31Å; L84-K108 WeakPolarHBondContact O-CA 3.31Å; L84-K108 PolarHBondContact O-N 2.83Å; L84-S109 PolarHBondContact O-N 3.11Å
85	H	97.9	Very high	92.3	Very high	21 Å²	21	47 Å²	47	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.1	-177.6	-57.2	-79.2	0	0	0	111	E62 K63 Y64 L65 S109	E62-H85 IonicContact OE1-NE2 2.67Å; E62-H85 IonicContact OE2-CD2 2.75Å; E62-H85 IonicContact OE2-CE1 2.74Å; E62-H85 IonicContact OE2-NE2 2.73Å; E62-H85 PolarHBondContact OE2-NE2 2.75Å; K63-H85 PolarHBondContact O-N 2.9Å; Y64-H85 CarbonylContact C-O 3.45Å; Y64-H85 WeakPolarHBondContact CA-O 3.32Å; Y64-H85 HydrophobicContact CD1-CB 3.29Å; Y64-H85 AromaticContact CD1-CD2 3.98Å; Y64-H85 AromaticContact CD1-CG 3.83Å; Y64-H85 HydrophobicContact CE1-CB 3.4Å; Y64-H85 AromaticContact CE1-CD2 3.42Å; Y64-H85 VanDerWaalsContact CE1-CD2 3.42Å; Y64-H85 WeakPolarHBondContact CE1-CD2 3.34Å; Y64-H85 AromaticContact CE1-CG 3.38Å; Y64-H85 AromaticContact CE2-CD2 3.52Å; Y64-H85 HydrophobicContact CG-CB 3.9Å; Y64-H85 AromaticContact CZ-CD2 3.16Å; Y64-H85 AromaticContact CZ-CG 3.66Å; Y64-H85 AromaticContact CZ-NE2 3.67Å; Y64-H85 PolarHBondContact OH-CD2 3.43Å; Y64-H85 PolarHBondContact OH-NE2 3.06Å; L65-H85 PolarHBondContact N-O 2.9Å; H85-S109 WeakPolarHBondContact CA-O 3.36Å; H85-S109 WeakPolarHBondContact ND1-CB 3.5Å
86	M	97.5	Very high	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.1	-179.2	-170.2	179.4	-68	0	0	109.9	L65 W79 L83 L88 F101 F104 L107 S109 L110 D111	L65-M86 HydrophobicContact CD2-CE 4.21Å; L65-M86 HydrophobicContact CD2-CG 4.13Å; W79-M86 HydrophobicContact CE3-CE 4.02Å; W79-M86 HydrophobicContact CE3-SD 4.18Å; W79-M86 HydrophobicContact CZ3-CE 4.35Å; W79-M86 HydrophobicContact CZ3-SD 3.88Å; L83-M86 HydrophobicContact CD1-CE 3.99Å; M86-L88 HydrophobicContact CG-CD1 4.13Å; M86-L88 HydrophobicContact CG-CD2 3.88Å; M86-L88 HydrophobicContact CG-CG 3.8Å; M86-L88 HydrophobicContact SD-CD1 3.76Å; M86-L88 HydrophobicContact SD-CD2 4.26Å; M86-L88 HydrophobicContact SD-CG 4.11Å; M86-F101 HydrophobicContact SD-CD1 4.21Å; M86-F101 HydrophobicContact SD-CE1 4.07Å; M86-F104 HydrophobicContact CE-CD1 3.85Å; M86-F104 HydrophobicContact CE-CD2 3.7Å; M86-F104 HydrophobicContact CE-CE1 3.89Å; M86-F104 HydrophobicContact CE-CE2 3.75Å; M86-F104 HydrophobicContact CE-CG 3.76Å; M86-F104 HydrophobicContact CE-CZ 3.84Å; M86-L107 HydrophobicContact CB-CD1 3.77Å; M86-L107 HydrophobicContact CB-CD2 4.23Å; M86-S109 PolarHBondContact N-O 2.82Å; M86-L110 HydrophobicContact CB-CD1 4.03Å; M86-L110 HydrophobicContact CG-CD1 4.24Å; M86-L110 HydrophobicContact SD-CD1 4.11Å; M86-D111 PolarHBondContact O-N 3.33Å
87	L	97.7	Very high	93.2	Very high	29 Å²	29	49.7 Å²	49.7	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98.3	-177.8	-48.4	177	0	0	0	109.6	L65 D66 C67 Q68 D111	L65-L87 PolarHBondContact O-N 3.01Å; D66-L87 HydrophobicContact CB-CD1 4.29Å; C67-L87 CarbonylContact C-O 3.59Å; C67-L87 WeakPolarHBondContact CA-O 3.21Å; C67-L87 PolarHBondContact N-O 3.24Å; Q68-L87 HydrophobicContact CG-CB 3.91Å; Q68-L87 PolarHBondContact N-O 2.71Å; L87-D111 HydrophobicContact CD2-CB 4.12Å
88	L	96.9	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.227	C	C	.	.			trans	-112.4	18.6	-179.9	-53.6	-177.7	0	0	0	112.4	C67 L72 V75 W79 M86 N91 I93 F101 L110 D111 L112 N115	C67-L88 HydrophobicContact CB-CD2 3.64Å; L72-L88 HydrophobicContact CD1-CD2 4.46Å; V75-L88 HydrophobicContact CG2-CD1 3.94Å; W79-L88 HydrophobicContact CH2-CD2 3.83Å; W79-L88 HydrophobicContact CZ3-CD1 4.46Å; W79-L88 HydrophobicContact CZ3-CD2 3.97Å; M86-L88 HydrophobicContact CG-CD1 4.13Å; M86-L88 HydrophobicContact CG-CD2 3.88Å; M86-L88 HydrophobicContact CG-CG 3.8Å; M86-L88 HydrophobicContact SD-CD1 3.76Å; M86-L88 HydrophobicContact SD-CD2 4.26Å; M86-L88 HydrophobicContact SD-CG 4.11Å; L88-N91 PolarHBondContact O-ND2 3.37Å; L88-I93 HydrophobicContact CB-CD1 4.4Å; L88-I93 HydrophobicContact CD1-CD1 4.21Å; L88-F101 HydrophobicContact CD1-CE1 4.11Å; L88-L110 HydrophobicContact CD1-CD1 4.32Å; L88-D111 CarbonylContact C-O 3.14Å; L88-D111 VanDerWaalsContact CA-O 3.26Å; L88-D111 WeakPolarHBondContact CA-O 3.21Å; L88-D111 VanDerWaalsContact CB-O 3.31Å; L88-D111 WeakPolarHBondContact CB-O 3.45Å; L88-D111 PolarHBondContact N-O 3.1Å; L88-L112 HydrophobicContact CB-CD2 4.05Å; L88-L112 HydrophobicContact CD1-CD2 3.89Å; L88-N115 PolarHBondContact O-ND2 3.15Å
89	A	97.4	Very high	94.1	Very high	1 Å²	1	46 Å²	46	1%	0.008	21%	0.214	C	C	.	.			trans	-60.2	154.9	179.6	0	0	0	0	0	112.7	Q68 E69 N91 D111 Q113	Q68-A89 WeakPolarHBondContact CA-O 3.42Å; Q68-A89 HydrophobicContact CG-CB 4.05Å; E69-A89 PolarHBondContact N-O 2.92Å; A89-N91 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 3.13Å; A89-N91 PolarHBondContact O-ND2 3.11Å; A89-D111 PolarHBondContact N-O 2.89Å; A89-Q113 VanDerWaalsContact CA-O 3.23Å; A89-Q113 WeakPolarHBondContact CA-O 3.47Å; A89-Q113 HydrophobicContact CB-CG 3.67Å
90	R	96.9	Very high	94	Very high	118 Å²	118	46.9 Å²	46.9	45%	0.445	22%	0.219	S	C	.	.	S	Bend	trans	58.4	40.4	175.1	-62.9	-167.6	-111.5	-94.2	1.4	114.1	E69 Q113 Q114	E69-R90 WeakPolarHBondContact CA-O 3.49Å; E69-R90 HydrophobicContact CG-CB 3.51Å; E69-R90 HydrophobicContact CG-CG 4.24Å; E69-R90 VanDerWaalsContact OE1-CD 3.25Å; E69-R90 WeakPolarHBondContact OE1-CD 3.21Å; E69-R90 IonicContact OE1-CZ 2.7Å; E69-R90 IonicContact OE1-NE 3.75Å; E69-R90 PolarHBondContact OE1-NE 3.13Å; R90-Q113 PolarHBondContact N-O 2.98Å; R90-Q113 VanDerWaalsContact N-O 3.11Å; R90-Q114 WeakPolarHBondContact CA-O 3.47Å; R90-Q114 HydrophobicContact CG-CB 3.91Å; R90-Q114 PolarHBondContact N-O 2.76Å
91	N	95.1	Very high	94.2	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	21%	0.207	C	C	.	.	S	Bend	trans	-110	-164	176	-81	-64.4	0	0	0	111.4	C67 R70 K71 L72 L88 A89 I93 N115	C67-N91 PolarHBondContact O-ND2 3.24Å; R70-N91 PolarHBondContact N-OD1 3.19Å; K71-N91 PolarHBondContact N-OD1 3.23Å; L72-N91 HydrophobicContact CB-CB 4.13Å; L72-N91 PolarHBondContact N-OD1 3.04Å; L88-N91 PolarHBondContact O-ND2 3.37Å; A89-N91 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 3.13Å; A89-N91 PolarHBondContact O-ND2 3.11Å; N91-I93 HydrophobicContact CB-CG1 4.37Å; N91-N115 VanDerWaalsContact CA-OD1 3.23Å; N91-N115 WeakPolarHBondContact CA-OD1 3.5Å; N91-N115 WeakPolarHBondContact CB-OD1 3.28Å; N91-N115 PolarHBondContact N-OD1 3.18Å; N91-N115 PolarHBondContact O-OD1 2.96Å
92	K	94.9	Very high	94.1	Very high	96 Å²	96	41.8 Å²	41.8	42%	0.417	20%	0.196	S	C	.	.			trans	-123.1	28	-174.8	-62.1	-64.2	179.2	-170.4	0	111.6	K71 L72 V73 N115 E116	K71-K92 HydrophobicContact CB-CG 4.4Å; L72-K92 CarbonylContact O-C 3.45Å; L72-K92 WeakPolarHBondContact O-CA 3.22Å; L72-K92 WeakPolarHBondContact O-CB 3.49Å; L72-K92 PolarHBondContact O-N 2.7Å; V73-K92 HydrophobicContact CG2-CB 4.1Å; K92-N115 PolarHBondContact N-OD1 3.04Å; K92-E116 HydrophobicContact CD-CG 4.44Å; K92-E116 WeakPolarHBondContact CD-OE1 3.45Å; K92-E116 WeakPolarHBondContact CE-OE1 3.02Å; K92-E116 IonicContact NZ-OE1 3.4Å; K92-E116 PolarHBondContact NZ-OE1 3.08Å
93	I	96.1	Very high	93.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.202	C	C	.	.			trans	-72.4	130.1	179.3	-56.6	172.8	0	0	0	108.2	L72 L88 N91 L96 L112 N115 E116 I117	L72-I93 PolarHBondContact O-N 3.4Å; L72-I93 VanDerWaalsContact O-N 3.14Å; L88-I93 HydrophobicContact CB-CD1 4.4Å; L88-I93 HydrophobicContact CD1-CD1 4.21Å; N91-I93 HydrophobicContact CB-CG1 4.37Å; I93-L96 HydrophobicContact CG2-CD2 3.81Å; I93-L112 HydrophobicContact CD1-CD2 3.96Å; I93-N115 HydrophobicContact CB-CB 4.39Å; I93-N115 WeakPolarHBondContact CB-OD1 3.11Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.03Å; I93-N115 PolarHBondContact N-OD1 3.14Å; I93-N115 VanDerWaalsContact N-OD1 3.13Å; I93-E116 CarbonylContact O-C 3.32Å; I93-E116 WeakPolarHBondContact O-CA 3.31Å; I93-E116 PolarHBondContact O-N 2.77Å; I93-I117 HydrophobicContact CB-CG1 4.36Å; I93-I117 HydrophobicContact CG2-CG1 4.18Å; I93-I117 WeakPolarHBondContact O-CG1 3.26Å; I93-I117 PolarHBondContact O-N 3.11Å; I93-I117 VanDerWaalsContact O-N 3.08Å
94	R	94.5	Very high	93.9	Very high	146 Å²	146	45 Å²	45	55%	0.551	20%	0.203	S	C	*	.			trans	-112.2	-34.2	-176.3	-68.9	-179.6	178.3	-177.2	-1.4	114.6	E116 I117 S118	R94-E116 WeakPolarHBondContact CA-O 3.23Å; R94-E116 HydrophobicContact CG-CB 3.81Å; R94-E116 IonicContact CZ-OE2 3.96Å; R94-E116 IonicContact NE-OE2 2.72Å; R94-E116 PolarHBondContact NE-OE2 3.12Å; R94-E116 IonicContact NH2-OE2 3.65Å; R94-E116 PolarHBondContact NH2-OE2 3.44Å; R94-I117 WeakPolarHBondContact O-CA 3.47Å; R94-S118 PolarHBondContact O-N 2.76Å
95	V	93.3	Very high	93.7	Very high	50 Å²	50	50.8 Å²	50.8	30%	0.303	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.9	-176.3	-177.9	0	0	0	0	108.4	K97 K119	V95-K97 HydrophobicContact CG1-CG 4.22Å; V95-K119 WeakPolarHBondContact CA-O 3.05Å; V95-K119 HydrophobicContact CG1-CB 4.34Å; V95-K119 HydrophobicContact CG2-CB 4.4Å
96	L	95.5	Very high	93.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.9	167.7	-55.7	-175	0	0	0	107.9	I93 M100 F101 L112 I117 K119 I120 E121 A124 F125 L136	I93-L96 HydrophobicContact CG2-CD2 3.81Å; L96-M100 HydrophobicContact CD2-SD 4.04Å; L96-F101 HydrophobicContact CD2-CE2 4.27Å; L96-F101 HydrophobicContact CD2-CZ 4.36Å; L96-L112 HydrophobicContact CD1-CD1 3.79Å; L96-L112 HydrophobicContact CD2-CD1 4.24Å; L96-L112 HydrophobicContact CD2-CD2 4.39Å; L96-I117 HydrophobicContact CD1-CD1 4.27Å; L96-I117 HydrophobicContact CD2-CD1 4.05Å; L96-I117 HydrophobicContact CD2-CG1 4.47Å; L96-I117 HydrophobicContact CG-CD1 4.22Å; L96-I117 HydrophobicContact CG-CG2 4.13Å; L96-K119 PolarHBondContact N-O 2.92Å; L96-I120 HydrophobicContact CB-CG1 4.36Å; L96-I120 HydrophobicContact CB-CG2 4.22Å; L96-I120 HydrophobicContact CD1-CD1 4Å; L96-I120 HydrophobicContact CD1-CG1 3.94Å; L96-I120 HydrophobicContact CD1-CG2 4.28Å; L96-I120 HydrophobicContact CG-CG1 4.24Å; L96-E121 PolarHBondContact O-N 3.33Å; L96-A124 HydrophobicContact CB-CB 3.84Å; L96-F125 HydrophobicContact CD1-CE1 3.89Å; L96-F125 HydrophobicContact CD1-CZ 3.63Å; L96-L136 HydrophobicContact CD1-CD2 4.48Å
97	K	88.3	Confident	93.6	Very high	124 Å²	124	56.5 Å²	56.5	54%	0.539	25%	0.249	S	C	.	.			trans	-86.8	155.6	-177.8	-65.5	-171.1	175.5	-170.6	0	111.8	V95 N99 M100 E121 A124	V95-K97 HydrophobicContact CG1-CG 4.22Å; K97-N99 PolarHBondContact O-N 3.3Å; K97-M100 HydrophobicContact CB-CE 4.32Å; K97-M100 HydrophobicContact CG-CE 4.49Å; K97-M100 WeakPolarHBondContact O-CB 3.38Å; K97-M100 PolarHBondContact O-N 2.9Å; K97-M100 VanDerWaalsContact O-N 3.13Å; K97-E121 VanDerWaalsContact CA-OE2 3.22Å; K97-E121 WeakPolarHBondContact CA-OE2 3.25Å; K97-A124 WeakPolarHBondContact O-CA 3.44Å
98	N	87.6	Confident	93.6	Very high	63 Å²	63	58.9 Å²	58.9	34%	0.337	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	135.6	172.8	-75.8	-5	0	0	0	111.7	M100 E121 D123	N98-M100 PolarHBondContact O-N 3.33Å; N98-M100 VanDerWaalsContact O-N 3.13Å; N98-E121 PolarHBondContact N-OE2 2.98Å; N98-E121 WeakPolarHBondContact OD1-CB 3.43Å; N98-D123 HydrophobicContact CB-CB 3.98Å; N98-D123 PolarHBondContact ND2-OD2 3.08Å; N98-D123 WeakPolarHBondContact OD1-CA 3.14Å; N98-D123 WeakPolarHBondContact OD1-CB 3.22Å; N98-D123 PolarHBondContact OD1-N 3.37Å
99	N	85.4	Confident	93.6	Very high	74 Å²	74	59.7 Å²	59.7	40%	0.396	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	13.3	178.2	-55.2	-63.7	0	0	0	115.6	K97 F101 S102 D123 F126	K97-N99 PolarHBondContact O-N 3.3Å; N99-F101 PolarHBondContact O-N 2.95Å; N99-F101 VanDerWaalsContact O-N 3.13Å; N99-S102 WeakPolarHBondContact O-CB 3.29Å; N99-S102 PolarHBondContact O-N 2.9Å; N99-S102 VanDerWaalsContact O-N 3.13Å; N99-S102 PolarHBondContact O-OG 3.24Å; N99-D123 PolarHBondContact N-O 3.18Å; N99-F126 WeakPolarHBondContact OD1-CB 3.23Å; N99-F126 WeakPolarHBondContact OD1-CD1 3.25Å; N99-F126 VanDerWaalsContact OD1-CG 3.29Å; N99-F126 WeakPolarHBondContact OD1-CG 3.21Å
100	M	89.2	Confident	93.7	Very high	40 Å²	40	59.7 Å²	59.7	20%	0.197	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.5	-177.5	176.2	172.8	-81.6	0	0	112.9	V75 L96 K97 N98	V75-M100 HydrophobicContact CB-CG 3.91Å; V75-M100 HydrophobicContact CB-SD 4.27Å; V75-M100 HydrophobicContact CG2-CG 3.81Å; V75-M100 HydrophobicContact CG2-SD 3.72Å; L96-M100 HydrophobicContact CD2-SD 4.04Å; K97-M100 HydrophobicContact CB-CE 4.32Å; K97-M100 HydrophobicContact CG-CE 4.49Å; K97-M100 WeakPolarHBondContact O-CB 3.38Å; K97-M100 PolarHBondContact O-N 2.9Å; K97-M100 VanDerWaalsContact O-N 3.13Å; N98-M100 PolarHBondContact O-N 3.33Å; N98-M100 VanDerWaalsContact O-N 3.13Å
101	F	94.2	Very high	93.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	7.6	-179.1	-55.2	-82.7	0	0	0	114.4	V75 M86 L88 L96 N99 R103 F104 L110 L112 A124 F125 L128	V75-F101 HydrophobicContact CG2-CD1 4.36Å; V75-F101 HydrophobicContact CG2-CE1 3.57Å; V75-F101 HydrophobicContact CG2-CZ 3.89Å; M86-F101 HydrophobicContact SD-CD1 4.21Å; M86-F101 HydrophobicContact SD-CE1 4.07Å; L88-F101 HydrophobicContact CD1-CE1 4.11Å; L96-F101 HydrophobicContact CD2-CE2 4.27Å; L96-F101 HydrophobicContact CD2-CZ 4.36Å; N99-F101 PolarHBondContact O-N 2.95Å; N99-F101 VanDerWaalsContact O-N 3.13Å; F101-R103 PolarHBondContact O-N 3.44Å; F101-F104 HydrophobicContact CB-CD2 4.26Å; F101-F104 HydrophobicContact CD1-CD2 4.39Å; F101-F104 WeakPolarHBondContact O-CD2 3.39Å; F101-F104 PolarHBondContact O-N 2.95Å; F101-L110 HydrophobicContact CD1-CD1 4.39Å; F101-L110 HydrophobicContact CD1-CD2 4.16Å; F101-L110 HydrophobicContact CD2-CD2 4.23Å; F101-L110 HydrophobicContact CE1-CD1 3.85Å; F101-L110 HydrophobicContact CE1-CD2 3.96Å; F101-L110 HydrophobicContact CE2-CD2 4.05Å; F101-L110 HydrophobicContact CG-CD2 4.3Å; F101-L110 HydrophobicContact CZ-CD1 4.31Å; F101-L110 HydrophobicContact CZ-CD2 3.91Å; F101-L112 HydrophobicContact CE2-CD1 4.45Å; F101-L112 HydrophobicContact CZ-CD1 4.11Å; F101-L112 HydrophobicContact CZ-CD2 4.32Å; F101-A124 WeakPolarHBondContact CD2-O 3.22Å; F101-F125 HydrophobicContact CD2-CD1 4.23Å; F101-F125 HydrophobicContact CE2-CD1 4.44Å; F101-F125 HydrophobicContact CE2-CE1 4.32Å; F101-L128 HydrophobicContact CB-CD1 3.78Å; F101-L128 HydrophobicContact CB-CD2 3.81Å; F101-L128 HydrophobicContact CB-CG 3.94Å; F101-L128 HydrophobicContact CD2-CD1 4.43Å; F101-L128 HydrophobicContact CG-CD1 4.21Å
102	S	91.4	Very high	93.9	Very high	34 Å²	34	54.5 Å²	54.5	24%	0.238	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.8	-171.2	58.7	0	0	0	0	115.9	N99 F126	N99-S102 WeakPolarHBondContact O-CB 3.29Å; N99-S102 PolarHBondContact O-N 2.9Å; N99-S102 VanDerWaalsContact O-N 3.13Å; N99-S102 PolarHBondContact O-OG 3.24Å; S102-F126 WeakPolarHBondContact CA-O 3.09Å
103	R	90.1	Very high	94	Very high	126 Å²	126	51.6 Å²	51.6	48%	0.475	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-20.4	177.5	-57.2	-168	75.8	177.4	13.7	113.4	P77 Q81 F101 K105	P77-R103 PolarHBondContact O-NH1 2.73Å; Q81-R103 HydrophobicContact CG-CB 4.32Å; F101-R103 PolarHBondContact O-N 3.44Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 3.36Å
104	F	94.3	Very high	94.1	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	25%	0.247	C	C	.	.			trans	-95.4	55.6	-173.9	-49.7	-72.6	0	0	0	111.2	V75 W79 P80 L83 M86 F101 R106 L107 L128	V75-F104 HydrophobicContact CG1-CE2 3.97Å; V75-F104 HydrophobicContact CG1-CZ 4.42Å; W79-F104 HydrophobicContact CB-CE1 3.9Å; W79-F104 HydrophobicContact CB-CZ 3.99Å; W79-F104 HydrophobicContact CE3-CZ 4.12Å; P80-F104 WeakPolarHBondContact O-CD1 3.43Å; P80-F104 WeakPolarHBondContact O-CE1 3.38Å; L83-F104 HydrophobicContact CD1-CD1 4.18Å; L83-F104 HydrophobicContact CD1-CE1 4.14Å; M86-F104 HydrophobicContact CE-CD1 3.85Å; M86-F104 HydrophobicContact CE-CD2 3.7Å; M86-F104 HydrophobicContact CE-CE1 3.89Å; M86-F104 HydrophobicContact CE-CE2 3.75Å; M86-F104 HydrophobicContact CE-CG 3.76Å; M86-F104 HydrophobicContact CE-CZ 3.84Å; F101-F104 HydrophobicContact CB-CD2 4.26Å; F101-F104 HydrophobicContact CD1-CD2 4.39Å; F101-F104 WeakPolarHBondContact O-CD2 3.39Å; F101-F104 PolarHBondContact O-N 2.95Å; F104-R106 PolarHBondContact O-N 2.95Å; F104-L107 HydrophobicContact CB-CB 4.2Å; F104-L107 WeakPolarHBondContact O-CB 3.25Å; F104-L107 PolarHBondContact O-N 3.06Å; F104-L128 HydrophobicContact CB-CD2 4.49Å; F104-L128 WeakPolarHBondContact O-CD2 3.14Å
105	K	92.9	Very high	94.3	Very high	135 Å²	135	48.2 Å²	48.2	59%	0.587	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.2	-172.8	-59.9	-175.4	179.3	-174.9	0	114.9	R103 N129	R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 3.36Å; K105-N129 PolarHBondContact O-OD1 3.09Å
106	R	95.8	Very high	94.5	Very high	141 Å²	141	48.3 Å²	48.3	53%	0.532	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.8	179.9	-62.3	-176.9	66.3	-164.5	-0.3	113.2	L83 L84 F104 K108	L83-R106 CarbonylContact O-C 3.57Å; L84-R106 HydrophobicContact CD2-CB 3.93Å; L84-R106 WeakPolarHBondContact CD2-O 3.49Å; F104-R106 PolarHBondContact O-N 2.95Å; R106-K108 PolarHBondContact O-N 2.91Å
107	L	97.7	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.22	C	C	.	.			trans	-62.9	125.4	-172.8	-160.2	72.9	0	0	0	110.7	L83 M86 F104 L110 L128 K130 L131	L83-L107 HydrophobicContact CB-CD1 4.3Å; M86-L107 HydrophobicContact CB-CD1 3.77Å; M86-L107 HydrophobicContact CB-CD2 4.23Å; F104-L107 HydrophobicContact CB-CB 4.2Å; F104-L107 WeakPolarHBondContact O-CB 3.25Å; F104-L107 PolarHBondContact O-N 3.06Å; L107-L110 HydrophobicContact CD2-CB 3.95Å; L107-L110 HydrophobicContact CD2-CD1 4.26Å; L107-L110 HydrophobicContact CD2-CD2 4.49Å; L107-L110 HydrophobicContact CD2-CG 4.46Å; L107-L128 HydrophobicContact CB-CD2 4.05Å; L107-L128 HydrophobicContact CD2-CD2 4.12Å; L107-K130 CarbonylContact O-C 3.09Å; L107-L131 HydrophobicContact CB-CD1 4.44Å; L107-L131 HydrophobicContact CD2-CD1 4.08Å; L107-L131 HydrophobicContact CG-CD1 4.12Å; L107-L131 VanDerWaalsContact O-CA 3.28Å; L107-L131 WeakPolarHBondContact O-CA 3.43Å; L107-L131 PolarHBondContact O-N 3.41Å; L107-L131 VanDerWaalsContact O-N 3.11Å
108	K	97.6	Very high	95	Very high	80 Å²	80	45.6 Å²	45.6	35%	0.348	22%	0.217	S	C	.	.			trans	-98.6	-36.8	176	-63.2	-178.2	-177.7	178.8	0	111.8	E62 L84 R106 T132 T133	E62-K108 IonicContact OE1-NZ 3.88Å; E62-K108 PolarHBondContact OE1-NZ 3.4Å; L84-K108 HydrophobicContact CB-CD 4.5Å; L84-K108 HydrophobicContact CD1-CD 4.49Å; L84-K108 HydrophobicContact CD2-CD 4.43Å; L84-K108 HydrophobicContact CD2-CG 4.31Å; L84-K108 WeakPolarHBondContact O-CA 3.31Å; L84-K108 PolarHBondContact O-N 2.83Å; R106-K108 PolarHBondContact O-N 2.91Å; K108-T132 PolarHBondContact O-N 3.37Å; K108-T132 PolarHBondContact O-OG1 2.76Å; K108-T132 VanDerWaalsContact O-OG1 3.11Å; K108-T133 PolarHBondContact O-N 3.12Å; K108-T133 VanDerWaalsContact O-N 3.08Å
109	S	98.3	Very high	95.2	Very high	17 Å²	17	48.3 Å²	48.3	12%	0.119	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.3	-179.7	-168.1	0	0	0	0	112.4	L84 H85 M86 T133	L84-S109 PolarHBondContact O-N 3.11Å; H85-S109 WeakPolarHBondContact CA-O 3.36Å; H85-S109 WeakPolarHBondContact ND1-CB 3.5Å; M86-S109 PolarHBondContact N-O 2.82Å; S109-T133 WeakPolarHBondContact CA-O 3.34Å
110	L	98.4	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.3	175.1	179.3	56.1	0	0	0	109.7	M86 L88 F101 L107 L112 F125 L128 L131 T133 L134 L135	M86-L110 HydrophobicContact CB-CD1 4.03Å; M86-L110 HydrophobicContact CG-CD1 4.24Å; M86-L110 HydrophobicContact SD-CD1 4.11Å; L88-L110 HydrophobicContact CD1-CD1 4.32Å; F101-L110 HydrophobicContact CD1-CD1 4.39Å; F101-L110 HydrophobicContact CD1-CD2 4.16Å; F101-L110 HydrophobicContact CD2-CD2 4.23Å; F101-L110 HydrophobicContact CE1-CD1 3.85Å; F101-L110 HydrophobicContact CE1-CD2 3.96Å; F101-L110 HydrophobicContact CE2-CD2 4.05Å; F101-L110 HydrophobicContact CG-CD2 4.3Å; F101-L110 HydrophobicContact CZ-CD1 4.31Å; F101-L110 HydrophobicContact CZ-CD2 3.91Å; L107-L110 HydrophobicContact CD2-CB 3.95Å; L107-L110 HydrophobicContact CD2-CD1 4.26Å; L107-L110 HydrophobicContact CD2-CD2 4.49Å; L107-L110 HydrophobicContact CD2-CG 4.46Å; L110-L112 HydrophobicContact CD1-CD1 4.31Å; L110-L112 HydrophobicContact CD1-CG 4.09Å; L110-L112 HydrophobicContact CD2-CD1 3.77Å; L110-L112 HydrophobicContact CD2-CG 4.43Å; L110-L112 HydrophobicContact CG-CD1 3.85Å; L110-L112 HydrophobicContact CG-CG 3.99Å; L110-F125 HydrophobicContact CD2-CD1 4.28Å; L110-F125 HydrophobicContact CD2-CE1 4.06Å; L110-L128 HydrophobicContact CD2-CD1 4.08Å; L110-L131 HydrophobicContact CB-CD1 3.8Å; L110-L131 HydrophobicContact CB-CD2 4.47Å; L110-T133 PolarHBondContact N-O 2.85Å; L110-L134 HydrophobicContact CB-CD1 4.1Å; L110-L134 HydrophobicContact CD2-CD1 4.05Å; L110-L134 HydrophobicContact CG-CD1 4.06Å; L110-L134 WeakPolarHBondContact O-CA 3.31Å; L110-L135 PolarHBondContact O-N 3.16Å
111	D	98.4	Very high	95.7	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.4	176.2	-172.2	-0.3	0	0	0	110.9	M86 L87 L88 A89 Q113 L135	M86-D111 PolarHBondContact O-N 3.33Å; L87-D111 HydrophobicContact CD2-CB 4.12Å; L88-D111 CarbonylContact C-O 3.14Å; L88-D111 VanDerWaalsContact CA-O 3.26Å; L88-D111 WeakPolarHBondContact CA-O 3.21Å; L88-D111 VanDerWaalsContact CB-O 3.31Å; L88-D111 WeakPolarHBondContact CB-O 3.45Å; L88-D111 PolarHBondContact N-O 3.1Å; A89-D111 PolarHBondContact N-O 2.89Å; D111-Q113 VanDerWaalsContact CG-NE2 3.32Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.45Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.38Å; D111-Q113 PolarHBondContact OD1-N 3.13Å; D111-Q113 PolarHBondContact OD1-NE2 3.23Å; D111-Q113 VanDerWaalsContact OD1-NE2 3.09Å; D111-Q113 PolarHBondContact OD2-NE2 3.42Å; D111-L135 HydrophobicContact CB-CD1 4.1Å
112	L	98.2	Very high	95.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.			trans	-118.5	14.7	178.6	-75.2	165.5	0	0	0	111.8	L88 I93 L96 F101 L110 N115 I117 F125 L134 L135 L136 N139	L88-L112 HydrophobicContact CB-CD2 4.05Å; L88-L112 HydrophobicContact CD1-CD2 3.89Å; I93-L112 HydrophobicContact CD1-CD2 3.96Å; L96-L112 HydrophobicContact CD1-CD1 3.79Å; L96-L112 HydrophobicContact CD2-CD1 4.24Å; L96-L112 HydrophobicContact CD2-CD2 4.39Å; F101-L112 HydrophobicContact CE2-CD1 4.45Å; F101-L112 HydrophobicContact CZ-CD1 4.11Å; F101-L112 HydrophobicContact CZ-CD2 4.32Å; L110-L112 HydrophobicContact CD1-CD1 4.31Å; L110-L112 HydrophobicContact CD1-CG 4.09Å; L110-L112 HydrophobicContact CD2-CD1 3.77Å; L110-L112 HydrophobicContact CD2-CG 4.43Å; L110-L112 HydrophobicContact CG-CD1 3.85Å; L110-L112 HydrophobicContact CG-CG 3.99Å; L112-N115 PolarHBondContact O-ND2 3.13Å; L112-I117 HydrophobicContact CB-CD1 3.96Å; L112-I117 HydrophobicContact CD1-CD1 4.47Å; L112-I117 HydrophobicContact CD2-CD1 4.25Å; L112-I117 HydrophobicContact CG-CD1 4.48Å; L112-F125 HydrophobicContact CD1-CE1 4.3Å; L112-L134 HydrophobicContact CD1-CD1 4.33Å; L112-L135 CarbonylContact C-O 3.21Å; L112-L135 VanDerWaalsContact C-O 3.31Å; L112-L135 WeakPolarHBondContact CA-O 3.11Å; L112-L135 WeakPolarHBondContact CB-O 3.33Å; L112-L135 PolarHBondContact N-O 2.88Å; L112-L136 HydrophobicContact CB-CD2 3.96Å; L112-L136 HydrophobicContact CD1-CD2 4.1Å; L112-N139 PolarHBondContact O-ND2 3.13Å
113	Q	98.1	Very high	94.9	Very high	36 Å²	36	49.8 Å²	49.8	17%	0.168	23%	0.234	C	C	.	.			trans	-65.2	156.9	-176.9	78.3	-172.1	-67.8	0	0	112.3	A89 R90 D111 N115 L135 Q137	A89-Q113 VanDerWaalsContact CA-O 3.23Å; A89-Q113 WeakPolarHBondContact CA-O 3.47Å; A89-Q113 HydrophobicContact CB-CG 3.67Å; R90-Q113 PolarHBondContact N-O 2.98Å; R90-Q113 VanDerWaalsContact N-O 3.11Å; D111-Q113 VanDerWaalsContact CG-NE2 3.32Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.45Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.38Å; D111-Q113 PolarHBondContact OD1-N 3.13Å; D111-Q113 PolarHBondContact OD1-NE2 3.23Å; D111-Q113 VanDerWaalsContact OD1-NE2 3.09Å; D111-Q113 PolarHBondContact OD2-NE2 3.42Å; Q113-N115 VanDerWaalsContact C-N 3.26Å; Q113-N115 PolarHBondContact O-N 2.95Å; Q113-N115 PolarHBondContact O-ND2 2.91Å; Q113-L135 HydrophobicContact CB-CB 4.47Å; Q113-L135 PolarHBondContact N-O 2.99Å; Q113-Q137 VanDerWaalsContact CA-O 3.25Å; Q113-Q137 WeakPolarHBondContact CA-O 3.43Å; Q113-Q137 HydrophobicContact CB-CG 3.9Å; Q113-Q137 WeakPolarHBondContact CB-O 3.27Å
114	Q	98	Very high	94.9	Very high	65 Å²	65	43.8 Å²	43.8	30%	0.304	21%	0.211	S	C	.	.	S	Bend	trans	56.2	40.7	175.6	-59.9	-176.8	-3	0	0	112.9	R90 Q137 H138	R90-Q114 WeakPolarHBondContact CA-O 3.47Å; R90-Q114 HydrophobicContact CG-CB 3.91Å; R90-Q114 PolarHBondContact N-O 2.76Å; Q114-Q137 PolarHBondContact N-O 3.14Å; Q114-Q137 VanDerWaalsContact N-O 3.1Å; Q114-H138 WeakPolarHBondContact CA-O 3.43Å; Q114-H138 HydrophobicContact CB-CB 4.47Å; Q114-H138 HydrophobicContact CG-CB 3.69Å; Q114-H138 PolarHBondContact N-O 3.08Å
115	N	97.9	Very high	95	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.053	21%	0.21	C	C	.	.	S	Bend	trans	-104.9	-165.5	170.2	-86.5	-84.4	0	0	0	109.9	L88 N91 K92 I93 L112 Q113 I117 N139	L88-N115 PolarHBondContact O-ND2 3.15Å; N91-N115 VanDerWaalsContact CA-OD1 3.23Å; N91-N115 WeakPolarHBondContact CA-OD1 3.5Å; N91-N115 WeakPolarHBondContact CB-OD1 3.28Å; N91-N115 PolarHBondContact N-OD1 3.18Å; N91-N115 PolarHBondContact O-OD1 2.96Å; K92-N115 PolarHBondContact N-OD1 3.04Å; I93-N115 HydrophobicContact CB-CB 4.39Å; I93-N115 WeakPolarHBondContact CB-OD1 3.11Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.03Å; I93-N115 PolarHBondContact N-OD1 3.14Å; I93-N115 VanDerWaalsContact N-OD1 3.13Å; L112-N115 PolarHBondContact O-ND2 3.13Å; Q113-N115 VanDerWaalsContact C-N 3.26Å; Q113-N115 PolarHBondContact O-N 2.95Å; Q113-N115 PolarHBondContact O-ND2 2.91Å; N115-I117 HydrophobicContact CB-CD1 4.05Å; N115-I117 HydrophobicContact CB-CG1 3.88Å; N115-N139 VanDerWaalsContact CA-OD1 3.27Å; N115-N139 WeakPolarHBondContact CA-OD1 3.11Å; N115-N139 WeakPolarHBondContact CB-OD1 3.27Å; N115-N139 PolarHBondContact N-OD1 2.79Å; N115-N139 PolarHBondContact O-OD1 3.21Å
116	E	97.3	Very high	94.9	Very high	51 Å²	51	41.3 Å²	41.3	24%	0.238	20%	0.201	C	C	.	.			trans	-112.2	28.8	175.5	-66	177.9	-167.1	0	0	110.7	K92 I93 R94 S118	K92-E116 HydrophobicContact CD-CG 4.44Å; K92-E116 WeakPolarHBondContact CD-OE1 3.45Å; K92-E116 WeakPolarHBondContact CE-OE1 3.02Å; K92-E116 IonicContact NZ-OE1 3.4Å; K92-E116 PolarHBondContact NZ-OE1 3.08Å; I93-E116 CarbonylContact O-C 3.32Å; I93-E116 WeakPolarHBondContact O-CA 3.31Å; I93-E116 PolarHBondContact O-N 2.77Å; R94-E116 WeakPolarHBondContact CA-O 3.23Å; R94-E116 HydrophobicContact CG-CB 3.81Å; R94-E116 IonicContact CZ-OE2 3.96Å; R94-E116 IonicContact NE-OE2 2.72Å; R94-E116 PolarHBondContact NE-OE2 3.12Å; R94-E116 IonicContact NH2-OE2 3.65Å; R94-E116 PolarHBondContact NH2-OE2 3.44Å; E116-S118 PolarHBondContact O-N 3.11Å
117	I	98.3	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.			trans	-68.4	116.7	-170.4	-59.6	166.3	0	0	0	109.4	I93 R94 L96 L112 N115 I120 L136 N139 Q140 I141	I93-I117 HydrophobicContact CB-CG1 4.36Å; I93-I117 HydrophobicContact CG2-CG1 4.18Å; I93-I117 WeakPolarHBondContact O-CG1 3.26Å; I93-I117 PolarHBondContact O-N 3.11Å; I93-I117 VanDerWaalsContact O-N 3.08Å; R94-I117 WeakPolarHBondContact O-CA 3.47Å; L96-I117 HydrophobicContact CD1-CD1 4.27Å; L96-I117 HydrophobicContact CD2-CD1 4.05Å; L96-I117 HydrophobicContact CD2-CG1 4.47Å; L96-I117 HydrophobicContact CG-CD1 4.22Å; L96-I117 HydrophobicContact CG-CG2 4.13Å; L112-I117 HydrophobicContact CB-CD1 3.96Å; L112-I117 HydrophobicContact CD1-CD1 4.47Å; L112-I117 HydrophobicContact CD2-CD1 4.25Å; L112-I117 HydrophobicContact CG-CD1 4.48Å; N115-I117 HydrophobicContact CB-CD1 4.05Å; N115-I117 HydrophobicContact CB-CG1 3.88Å; I117-I120 HydrophobicContact CG2-CD1 4.35Å; I117-I120 HydrophobicContact CG2-CG1 3.87Å; I117-L136 HydrophobicContact CD1-CD2 4.24Å; I117-N139 HydrophobicContact CB-CB 4.2Å; I117-N139 WeakPolarHBondContact CB-OD1 3.49Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.43Å; I117-N139 PolarHBondContact N-OD1 2.96Å; I117-N139 VanDerWaalsContact N-OD1 3.07Å; I117-Q140 CarbonylContact O-C 3.31Å; I117-Q140 VanDerWaalsContact O-CA 3.25Å; I117-Q140 WeakPolarHBondContact O-CA 3.49Å; I117-Q140 PolarHBondContact O-N 3.31Å; I117-I141 HydrophobicContact CG2-CD1 4.48Å; I117-I141 HydrophobicContact CG2-CG1 4.22Å; I117-I141 WeakPolarHBondContact O-CG1 3.49Å; I117-I141 PolarHBondContact O-N 3.03Å
118	S	95.8	Very high	94.2	Very high	67 Å²	67	35.5 Å²	35.5	47%	0.469	18%	0.184	S	C	.	.			trans	-113.7	-21.1	177.8	61.7	0	0	0	0	113.7	R94 E116 Q140	R94-S118 PolarHBondContact O-N 2.76Å; E116-S118 PolarHBondContact O-N 3.11Å; S118-Q140 WeakPolarHBondContact CA-O 3.34Å
119	K	92.6	Very high	93.8	Very high	121 Å²	121	35.5 Å²	35.5	53%	0.526	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.6	178.7	-174.7	176.6	-179	-179.3	0	110.9	V95 L96	V95-K119 WeakPolarHBondContact CA-O 3.05Å; V95-K119 HydrophobicContact CG1-CB 4.34Å; V95-K119 HydrophobicContact CG2-CB 4.4Å; L96-K119 PolarHBondContact N-O 2.92Å
120	I	96.3	Very high	93.6	Very high	20 Å²	20	40 Å²	40	10%	0.103	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.1	171.1	-56.3	-178.1	0	0	0	106	L96 I117 A124 F125 L136 I141 L144 V148	L96-I120 HydrophobicContact CB-CG1 4.36Å; L96-I120 HydrophobicContact CB-CG2 4.22Å; L96-I120 HydrophobicContact CD1-CD1 4Å; L96-I120 HydrophobicContact CD1-CG1 3.94Å; L96-I120 HydrophobicContact CD1-CG2 4.28Å; L96-I120 HydrophobicContact CG-CG1 4.24Å; I117-I120 HydrophobicContact CG2-CD1 4.35Å; I117-I120 HydrophobicContact CG2-CG1 3.87Å; I120-A124 HydrophobicContact CG2-CB 3.71Å; I120-F125 HydrophobicContact CD1-CZ 4.45Å; I120-F125 HydrophobicContact CG2-CE2 3.84Å; I120-F125 HydrophobicContact CG2-CZ 4.3Å; I120-L136 HydrophobicContact CD1-CD1 4.09Å; I120-L136 HydrophobicContact CD1-CD2 4.27Å; I120-I141 HydrophobicContact CD1-CD1 3.81Å; I120-L144 HydrophobicContact CB-CD1 3.97Å; I120-L144 HydrophobicContact CD1-CD1 3.97Å; I120-L144 HydrophobicContact CG1-CD1 4.36Å; I120-L144 HydrophobicContact CG2-CD1 4.39Å; I120-V148 HydrophobicContact CG2-CB 4.28Å; I120-V148 HydrophobicContact CG2-CG1 3.84Å
121	E	87.4	Confident	93.6	Very high	56 Å²	56	40 Å²	40	26%	0.262	21%	0.205	S	C	.	.			trans	-77	154.2	175.2	-60.4	178.1	169.7	0	0	110.6	L96 K97 N98 D123 A124	L96-E121 PolarHBondContact O-N 3.33Å; K97-E121 VanDerWaalsContact CA-OE2 3.22Å; K97-E121 WeakPolarHBondContact CA-OE2 3.25Å; N98-E121 PolarHBondContact N-OE2 2.98Å; N98-E121 WeakPolarHBondContact OD1-CB 3.43Å; E121-D123 VanDerWaalsContact C-N 3.27Å; E121-D123 PolarHBondContact O-N 2.8Å; E121-D123 VanDerWaalsContact O-N 3.16Å; E121-A124 WeakPolarHBondContact O-CB 3.41Å; E121-A124 PolarHBondContact O-N 3.04Å
122	S	82.4	Confident	93.4	Very high	54 Å²	54	41.6 Å²	41.6	38%	0.378	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.6	-169.8	-51.1	0	0	0	0	114.3
123	D	87.1	Confident	93.4	Very high	48 Å²	48	43.2 Å²	43.2	26%	0.257	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	19.4	-179.9	-48.3	-43.3	0	0	0	112.8	N98 N99 E121 F125 F126 Y151	N98-D123 HydrophobicContact CB-CB 3.98Å; N98-D123 PolarHBondContact ND2-OD2 3.08Å; N98-D123 WeakPolarHBondContact OD1-CA 3.14Å; N98-D123 WeakPolarHBondContact OD1-CB 3.22Å; N98-D123 PolarHBondContact OD1-N 3.37Å; N99-D123 PolarHBondContact N-O 3.18Å; E121-D123 VanDerWaalsContact C-N 3.27Å; E121-D123 PolarHBondContact O-N 2.8Å; E121-D123 VanDerWaalsContact O-N 3.16Å; D123-F125 PolarHBondContact O-N 2.9Å; D123-F126 HydrophobicContact CB-CB 4.2Å; D123-F126 VanDerWaalsContact O-CB 3.25Å; D123-F126 WeakPolarHBondContact O-CB 3.32Å; D123-F126 PolarHBondContact O-N 3.2Å; D123-F126 VanDerWaalsContact O-N 3.1Å; D123-Y151 HydrophobicContact CB-CE2 4.08Å; D123-Y151 VanDerWaalsContact OD1-CE2 3.25Å; D123-Y151 WeakPolarHBondContact OD1-CE2 3.33Å; D123-Y151 PolarHBondContact OD1-OH 3.24Å
124	A	91.1	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.3	-176.3	0	0	0	0	0	112.9	L96 K97 F101 I120 E121	L96-A124 HydrophobicContact CB-CB 3.84Å; K97-A124 WeakPolarHBondContact O-CA 3.44Å; F101-A124 WeakPolarHBondContact CD2-O 3.22Å; I120-A124 HydrophobicContact CG2-CB 3.71Å; E121-A124 WeakPolarHBondContact O-CB 3.41Å; E121-A124 PolarHBondContact O-N 3.04Å
125	F	94.8	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	12.6	-179.8	-56.3	-62.6	0	0	0	113.6	L96 F101 L110 L112 I120 D123 G127 L128 L134 L136 V148 Y151 T152	L96-F125 HydrophobicContact CD1-CE1 3.89Å; L96-F125 HydrophobicContact CD1-CZ 3.63Å; F101-F125 HydrophobicContact CD2-CD1 4.23Å; F101-F125 HydrophobicContact CE2-CD1 4.44Å; F101-F125 HydrophobicContact CE2-CE1 4.32Å; L110-F125 HydrophobicContact CD2-CD1 4.28Å; L110-F125 HydrophobicContact CD2-CE1 4.06Å; L112-F125 HydrophobicContact CD1-CE1 4.3Å; I120-F125 HydrophobicContact CD1-CZ 4.45Å; I120-F125 HydrophobicContact CG2-CE2 3.84Å; I120-F125 HydrophobicContact CG2-CZ 4.3Å; D123-F125 PolarHBondContact O-N 2.9Å; F125-G127 PolarHBondContact O-N 2.91Å; F125-L128 HydrophobicContact CB-CD1 4.14Å; F125-L128 HydrophobicContact CD1-CD1 3.92Å; F125-L128 VanDerWaalsContact O-CB 3.31Å; F125-L128 WeakPolarHBondContact O-CB 3.25Å; F125-L128 WeakPolarHBondContact O-CG 3.46Å; F125-L128 PolarHBondContact O-N 2.99Å; F125-L128 VanDerWaalsContact O-N 3.14Å; F125-L134 HydrophobicContact CE1-CD1 4.13Å; F125-L134 HydrophobicContact CE1-CD2 4.12Å; F125-L134 HydrophobicContact CE2-CD2 4.1Å; F125-L134 HydrophobicContact CZ-CD1 4.34Å; F125-L134 HydrophobicContact CZ-CD2 3.82Å; F125-L136 HydrophobicContact CZ-CD1 4.46Å; F125-V148 HydrophobicContact CD2-CB 4.22Å; F125-V148 WeakPolarHBondContact CD2-O 3.43Å; F125-V148 HydrophobicContact CE2-CB 4.38Å; F125-Y151 WeakPolarHBondContact O-CB 3.32Å; F125-T152 HydrophobicContact CB-CG2 4.01Å
126	F	90.6	Very high	93.3	Very high	90 Å²	90	39 Å²	39	40%	0.395	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.9	176.8	-178.8	-91.9	0	0	0	111.7	N99 S102 D123 Y151	N99-F126 WeakPolarHBondContact OD1-CB 3.23Å; N99-F126 WeakPolarHBondContact OD1-CD1 3.25Å; N99-F126 VanDerWaalsContact OD1-CG 3.29Å; N99-F126 WeakPolarHBondContact OD1-CG 3.21Å; S102-F126 WeakPolarHBondContact CA-O 3.09Å; D123-F126 HydrophobicContact CB-CB 4.2Å; D123-F126 VanDerWaalsContact O-CB 3.25Å; D123-F126 WeakPolarHBondContact O-CB 3.32Å; D123-F126 PolarHBondContact O-N 3.2Å; D123-F126 VanDerWaalsContact O-N 3.1Å; F126-Y151 HydrophobicContact CB-CD1 4.49Å; F126-Y151 HydrophobicContact CB-CD2 4.34Å; F126-Y151 HydrophobicContact CB-CG 4.29Å; F126-Y151 AromaticContact CD2-CD1 3.62Å; F126-Y151 HydrophobicContact CD2-CD1 3.62Å; F126-Y151 AromaticContact CD2-CE1 3.39Å; F126-Y151 HydrophobicContact CD2-CE1 3.39Å; F126-Y151 HydrophobicContact CD2-CE2 4.46Å; F126-Y151 HydrophobicContact CD2-CG 4.25Å; F126-Y151 AromaticContact CD2-CZ 3.82Å; F126-Y151 HydrophobicContact CE2-CD1 4.28Å; F126-Y151 AromaticContact CE2-CE1 3.93Å; F126-Y151 HydrophobicContact CE2-CE1 3.93Å; F126-Y151 HydrophobicContact CG-CD1 4.43Å; F126-Y151 HydrophobicContact CG-CE1 4.48Å
127	G	85.6	Confident	93.4	Very high	18 Å²	18	36.5 Å²	36.5	19%	0.186	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-4	179	0	0	0	0	0	115.6	F125 N129	F125-G127 PolarHBondContact O-N 2.91Å; G127-N129 PolarHBondContact O-N 3.04Å; G127-N129 VanDerWaalsContact O-N 3.11Å
128	L	94.4	Very high	93.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.			trans	-85.7	47.2	179.4	-62.9	-171.7	0	0	0	113.6	F101 F104 L107 L110 F125 K130 L131 Y151 T152	F101-L128 HydrophobicContact CB-CD1 3.78Å; F101-L128 HydrophobicContact CB-CD2 3.81Å; F101-L128 HydrophobicContact CB-CG 3.94Å; F101-L128 HydrophobicContact CD2-CD1 4.43Å; F101-L128 HydrophobicContact CG-CD1 4.21Å; F104-L128 HydrophobicContact CB-CD2 4.49Å; F104-L128 WeakPolarHBondContact O-CD2 3.14Å; L107-L128 HydrophobicContact CB-CD2 4.05Å; L107-L128 HydrophobicContact CD2-CD2 4.12Å; L110-L128 HydrophobicContact CD2-CD1 4.08Å; F125-L128 HydrophobicContact CB-CD1 4.14Å; F125-L128 HydrophobicContact CD1-CD1 3.92Å; F125-L128 VanDerWaalsContact O-CB 3.31Å; F125-L128 WeakPolarHBondContact O-CB 3.25Å; F125-L128 WeakPolarHBondContact O-CG 3.46Å; F125-L128 PolarHBondContact O-N 2.99Å; F125-L128 VanDerWaalsContact O-N 3.14Å; L128-K130 PolarHBondContact O-N 3.28Å; L128-K130 VanDerWaalsContact O-N 3.12Å; L128-L131 HydrophobicContact CB-CB 4.09Å; L128-L131 HydrophobicContact CD1-CD2 4.1Å; L128-L131 VanDerWaalsContact O-CB 3.27Å; L128-L131 WeakPolarHBondContact O-CB 3.39Å; L128-L131 PolarHBondContact O-N 3.29Å; L128-L131 VanDerWaalsContact O-N 3.08Å; L128-Y151 CarbonylContact C-O 3.35Å; L128-Y151 VanDerWaalsContact C-O 3.32Å; L128-T152 HydrophobicContact CB-CG2 3.97Å
129	N	88.4	Confident	93.5	Very high	80 Å²	80	36.4 Å²	36.4	43%	0.428	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.5	-173.7	65.7	0.2	0	0	0	115.2	K105 G127	K105-N129 PolarHBondContact O-OD1 3.09Å; G127-N129 PolarHBondContact O-N 3.04Å; G127-N129 VanDerWaalsContact O-N 3.11Å
130	K	95.4	Very high	93.8	Very high	111 Å²	111	35.8 Å²	35.8	48%	0.483	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.3	175.4	-62	-52.2	-177.7	-175.6	0	114	L107 L128 T132 L154	L107-K130 CarbonylContact O-C 3.09Å; L128-K130 PolarHBondContact O-N 3.28Å; L128-K130 VanDerWaalsContact O-N 3.12Å; K130-T132 PolarHBondContact O-N 2.8Å; K130-L154 HydrophobicContact CD-CD1 4.18Å
131	L	97.4	Very high	93.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.			trans	-70.8	123.9	-174.8	-162.9	78.1	0	0	0	110.8	L107 L110 L128 L134 T152 L154 L155	L107-L131 HydrophobicContact CB-CD1 4.44Å; L107-L131 HydrophobicContact CD2-CD1 4.08Å; L107-L131 HydrophobicContact CG-CD1 4.12Å; L107-L131 VanDerWaalsContact O-CA 3.28Å; L107-L131 WeakPolarHBondContact O-CA 3.43Å; L107-L131 PolarHBondContact O-N 3.41Å; L107-L131 VanDerWaalsContact O-N 3.11Å; L110-L131 HydrophobicContact CB-CD1 3.8Å; L110-L131 HydrophobicContact CB-CD2 4.47Å; L128-L131 HydrophobicContact CB-CB 4.09Å; L128-L131 HydrophobicContact CD1-CD2 4.1Å; L128-L131 VanDerWaalsContact O-CB 3.27Å; L128-L131 WeakPolarHBondContact O-CB 3.39Å; L128-L131 PolarHBondContact O-N 3.29Å; L128-L131 VanDerWaalsContact O-N 3.08Å; L131-L134 HydrophobicContact CD2-CB 4.14Å; L131-L134 HydrophobicContact CD2-CD2 4.47Å; L131-T152 HydrophobicContact CB-CG2 4.07Å; L131-T152 HydrophobicContact CD2-CG2 3.73Å; L131-L154 CarbonylContact O-C 3.07Å; L131-L155 WeakPolarHBondContact O-CA 3.14Å; L131-L155 PolarHBondContact O-N 3.1Å
132	T	95.1	Very high	94.3	Very high	47 Å²	47	38.4 Å²	38.4	29%	0.288	20%	0.195	S	C	.	.			trans	-108.6	-27.6	177.1	59.8	0	0	0	0	112.3	K108 K130 L154 S156 Y157	K108-T132 PolarHBondContact O-N 3.37Å; K108-T132 PolarHBondContact O-OG1 2.76Å; K108-T132 VanDerWaalsContact O-OG1 3.11Å; K130-T132 PolarHBondContact O-N 2.8Å; T132-L154 WeakPolarHBondContact CA-O 3.01Å; T132-L154 HydrophobicContact CG2-CB 4.37Å; T132-S156 PolarHBondContact O-N 3.18Å; T132-S156 PolarHBondContact O-OG 3.11Å; T132-Y157 PolarHBondContact O-N 3.24Å
133	T	96.6	Very high	94.7	Very high	33 Å²	33	38 Å²	38	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.3	-172.1	-59	0	0	0	0	110.6	K108 S109 L110 L135 Y157	K108-T133 PolarHBondContact O-N 3.12Å; K108-T133 VanDerWaalsContact O-N 3.08Å; S109-T133 WeakPolarHBondContact CA-O 3.34Å; L110-T133 PolarHBondContact N-O 2.85Å; T133-L135 HydrophobicContact CG2-CD2 3.91Å; T133-L135 HydrophobicContact CG2-CG 4.24Å; T133-Y157 WeakPolarHBondContact CA-O 3.35Å; T133-Y157 HydrophobicContact CG2-CD1 4.05Å
134	L	97.6	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.2	176	179.6	55.6	0	0	0	110.6	L110 L112 F125 L131 L136 F149 L155 Y157 L158 R159	L110-L134 HydrophobicContact CB-CD1 4.1Å; L110-L134 HydrophobicContact CD2-CD1 4.05Å; L110-L134 HydrophobicContact CG-CD1 4.06Å; L110-L134 WeakPolarHBondContact O-CA 3.31Å; L112-L134 HydrophobicContact CD1-CD1 4.33Å; F125-L134 HydrophobicContact CE1-CD1 4.13Å; F125-L134 HydrophobicContact CE1-CD2 4.12Å; F125-L134 HydrophobicContact CE2-CD2 4.1Å; F125-L134 HydrophobicContact CZ-CD1 4.34Å; F125-L134 HydrophobicContact CZ-CD2 3.82Å; L131-L134 HydrophobicContact CD2-CB 4.14Å; L131-L134 HydrophobicContact CD2-CD2 4.47Å; L134-L136 HydrophobicContact CD1-CD1 4.49Å; L134-L136 HydrophobicContact CD1-CG 4.17Å; L134-L136 HydrophobicContact CD2-CD1 3.98Å; L134-L136 HydrophobicContact CG-CD1 4.06Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L134-F149 HydrophobicContact CD2-CD1 4.37Å; L134-F149 HydrophobicContact CD2-CE1 3.83Å; L134-L155 HydrophobicContact CB-CD1 3.67Å; L134-Y157 PolarHBondContact N-O 2.63Å; L134-L158 HydrophobicContact CB-CD1 4.05Å; L134-L158 HydrophobicContact CD2-CD1 4.06Å; L134-L158 HydrophobicContact CG-CD1 3.99Å; L134-L158 WeakPolarHBondContact O-CA 3.42Å; L134-R159 PolarHBondContact O-N 3.17Å; L134-R159 VanDerWaalsContact O-N 3.14Å
135	L	98.1	Very high	94.7	Very high	22 Å²	22	37.9 Å²	37.9	12%	0.115	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.5	-177.9	-48.7	-174.9	0	0	0	109.5	L110 D111 L112 Q113 T133 Y157 R159	L110-L135 PolarHBondContact O-N 3.16Å; D111-L135 HydrophobicContact CB-CD1 4.1Å; L112-L135 CarbonylContact C-O 3.21Å; L112-L135 VanDerWaalsContact C-O 3.31Å; L112-L135 WeakPolarHBondContact CA-O 3.11Å; L112-L135 WeakPolarHBondContact CB-O 3.33Å; L112-L135 PolarHBondContact N-O 2.88Å; Q113-L135 HydrophobicContact CB-CB 4.47Å; Q113-L135 PolarHBondContact N-O 2.99Å; T133-L135 HydrophobicContact CG2-CD2 3.91Å; T133-L135 HydrophobicContact CG2-CG 4.24Å; L135-Y157 HydrophobicContact CD2-CD1 3.95Å; L135-Y157 HydrophobicContact CD2-CE1 3.96Å; L135-R159 HydrophobicContact CD2-CB 4.27Å; L135-R159 HydrophobicContact CD2-CG 4.1Å
136	L	97.9	Very high	94.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.			trans	-121.1	5.8	-178.6	-73.8	169.7	0	0	0	112.7	L96 L112 I117 I120 F125 L134 N139 I141 L158 R159 L160 N163	L96-L136 HydrophobicContact CD1-CD2 4.48Å; L112-L136 HydrophobicContact CB-CD2 3.96Å; L112-L136 HydrophobicContact CD1-CD2 4.1Å; I117-L136 HydrophobicContact CD1-CD2 4.24Å; I120-L136 HydrophobicContact CD1-CD1 4.09Å; I120-L136 HydrophobicContact CD1-CD2 4.27Å; F125-L136 HydrophobicContact CZ-CD1 4.46Å; L134-L136 HydrophobicContact CD1-CD1 4.49Å; L134-L136 HydrophobicContact CD1-CG 4.17Å; L134-L136 HydrophobicContact CD2-CD1 3.98Å; L134-L136 HydrophobicContact CG-CD1 4.06Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L136-N139 PolarHBondContact O-ND2 3.19Å; L136-I141 HydrophobicContact CB-CD1 4.3Å; L136-I141 HydrophobicContact CD1-CD1 4.49Å; L136-I141 HydrophobicContact CD2-CD1 4.41Å; L136-L158 HydrophobicContact CD1-CD1 4.33Å; L136-R159 CarbonylContact C-O 3.13Å; L136-R159 WeakPolarHBondContact CA-O 3.37Å; L136-R159 PolarHBondContact N-O 3.05Å; L136-L160 HydrophobicContact CB-CD2 4.16Å; L136-L160 HydrophobicContact CD1-CD2 4.16Å; L136-N163 PolarHBondContact O-ND2 2.99Å
137	Q	97.9	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.			trans	-62.1	156.4	179.9	69.4	-84.9	14.9	0	0	112.9	Q113 Q114 N139 R159 Y161	Q113-Q137 VanDerWaalsContact CA-O 3.25Å; Q113-Q137 WeakPolarHBondContact CA-O 3.43Å; Q113-Q137 HydrophobicContact CB-CG 3.9Å; Q113-Q137 WeakPolarHBondContact CB-O 3.27Å; Q114-Q137 PolarHBondContact N-O 3.14Å; Q114-Q137 VanDerWaalsContact N-O 3.1Å; Q137-N139 PolarHBondContact O-ND2 2.9Å; Q137-R159 HydrophobicContact CB-CB 4.37Å; Q137-R159 PolarHBondContact N-O 2.87Å; Q137-Y161 WeakPolarHBondContact CA-O 3.5Å; Q137-Y161 HydrophobicContact CB-CD1 4.04Å; Q137-Y161 HydrophobicContact CB-CD2 4.01Å; Q137-Y161 HydrophobicContact CB-CE1 3.88Å; Q137-Y161 HydrophobicContact CB-CE2 3.82Å; Q137-Y161 HydrophobicContact CB-CG 4.1Å; Q137-Y161 WeakPolarHBondContact CB-O 3.03Å; Q137-Y161 HydrophobicContact CG-CE1 4.06Å; Q137-Y161 HydrophobicContact CG-CE2 3.98Å
138	H	98.2	Very high	93.4	Very high	62 Å²	62	40.5 Å²	40.5	29%	0.287	20%	0.2	S	C	.	.	S	Bend	trans	56.9	50.9	-179	-51.4	-74.1	0	0	0	112.6	Q114 Y161 D162	Q114-H138 WeakPolarHBondContact CA-O 3.43Å; Q114-H138 HydrophobicContact CB-CB 4.47Å; Q114-H138 HydrophobicContact CG-CB 3.69Å; Q114-H138 PolarHBondContact N-O 3.08Å; H138-Y161 AromaticContact CE1-CE2 3.87Å; H138-Y161 PolarHBondContact N-O 2.97Å; H138-Y161 VanDerWaalsContact N-O 3.17Å; H138-Y161 AromaticContact NE2-CE2 3.57Å; H138-D162 WeakPolarHBondContact CA-O 3.4Å; H138-D162 IonicContact CE1-OD2 3.89Å; H138-D162 PolarHBondContact CE1-OD2 3.17Å; H138-D162 PolarHBondContact N-O 3.35Å; H138-D162 VanDerWaalsContact ND1-CB 3.34Å; H138-D162 WeakPolarHBondContact ND1-CB 3.37Å; H138-D162 IonicContact ND1-OD2 3.83Å; H138-D162 PolarHBondContact ND1-OD2 2.97Å; H138-D162 IonicContact NE2-OD2 2.71Å
139	N	98.7	Very high	93.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-123	-164.3	174.5	-86.1	-72.1	0	0	0	109.7	L112 N115 I117 L136 Q137 I141 D162 N163	L112-N139 PolarHBondContact O-ND2 3.13Å; N115-N139 VanDerWaalsContact CA-OD1 3.27Å; N115-N139 WeakPolarHBondContact CA-OD1 3.11Å; N115-N139 WeakPolarHBondContact CB-OD1 3.27Å; N115-N139 PolarHBondContact N-OD1 2.79Å; N115-N139 PolarHBondContact O-OD1 3.21Å; I117-N139 HydrophobicContact CB-CB 4.2Å; I117-N139 WeakPolarHBondContact CB-OD1 3.49Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.43Å; I117-N139 PolarHBondContact N-OD1 2.96Å; I117-N139 VanDerWaalsContact N-OD1 3.07Å; L136-N139 PolarHBondContact O-ND2 3.19Å; Q137-N139 PolarHBondContact O-ND2 2.9Å; N139-I141 HydrophobicContact CB-CD1 4.36Å; N139-I141 HydrophobicContact CB-CG1 4.22Å; N139-D162 PolarHBondContact N-O 3.03Å; N139-N163 VanDerWaalsContact CA-OD1 3.24Å; N139-N163 WeakPolarHBondContact CA-OD1 3.18Å; N139-N163 WeakPolarHBondContact CB-OD1 3.21Å; N139-N163 PolarHBondContact N-OD1 2.69Å; N139-N163 PolarHBondContact O-OD1 3.15Å
140	Q	98.2	Very high	92.5	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	20%	0.202	S	C	.	.			trans	-118.3	27	-176.8	-61.5	-63.1	-27	0	0	111.9	I117 S118 K142 N163	I117-Q140 CarbonylContact O-C 3.31Å; I117-Q140 VanDerWaalsContact O-CA 3.25Å; I117-Q140 WeakPolarHBondContact O-CA 3.49Å; I117-Q140 PolarHBondContact O-N 3.31Å; S118-Q140 WeakPolarHBondContact CA-O 3.34Å; Q140-K142 PolarHBondContact O-N 3.14Å; Q140-N163 PolarHBondContact N-OD1 3.34Å
141	I	98.1	Very high	91.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.191	C	C	.	.			trans	-74.5	123.9	-176.5	-53.3	167.9	0	0	0	109	I117 I120 L136 N139 V143 L144 N163 P164 W165	I117-I141 HydrophobicContact CG2-CD1 4.48Å; I117-I141 HydrophobicContact CG2-CG1 4.22Å; I117-I141 WeakPolarHBondContact O-CG1 3.49Å; I117-I141 PolarHBondContact O-N 3.03Å; I120-I141 HydrophobicContact CD1-CD1 3.81Å; L136-I141 HydrophobicContact CB-CD1 4.3Å; L136-I141 HydrophobicContact CD1-CD1 4.49Å; L136-I141 HydrophobicContact CD2-CD1 4.41Å; N139-I141 HydrophobicContact CB-CD1 4.36Å; N139-I141 HydrophobicContact CB-CG1 4.22Å; I141-V143 WeakPolarHBondContact CG2-O 3.05Å; I141-L144 HydrophobicContact CG2-CB 4.25Å; I141-N163 HydrophobicContact CB-CB 4.28Å; I141-N163 WeakPolarHBondContact CB-OD1 3.41Å; I141-N163 WeakPolarHBondContact CG1-OD1 3.37Å; I141-N163 PolarHBondContact N-OD1 2.8Å; I141-P164 CarbonylContact O-C 3.44Å; I141-P164 VanDerWaalsContact O-CD 3.29Å; I141-P164 WeakPolarHBondContact O-CD 3.44Å; I141-W165 HydrophobicContact CB-CH2 4.01Å; I141-W165 HydrophobicContact CB-CZ2 4.48Å; I141-W165 HydrophobicContact CB-CZ3 4.28Å; I141-W165 HydrophobicContact CG2-CE3 4.42Å; I141-W165 HydrophobicContact CG2-CH2 3.54Å; I141-W165 HydrophobicContact CG2-CZ2 4.46Å; I141-W165 HydrophobicContact CG2-CZ3 3.53Å
142	K	96.2	Very high	91.2	Very high	130 Å²	130	39.1 Å²	39.1	57%	0.565	19%	0.192	S	C	*	.			trans	-96.5	-44.6	176.5	-63.7	-176.1	179.7	-175.5	0	111.9	Q140 P164 W165 H166	Q140-K142 PolarHBondContact O-N 3.14Å; K142-P164 WeakPolarHBondContact CA-O 3.37Å; K142-P164 HydrophobicContact CG-CG 4.12Å; K142-W165 CarbonylContact O-C 3.56Å; K142-W165 WeakPolarHBondContact O-CA 3.36Å; K142-H166 HydrophobicContact CB-CB 4.16Å; K142-H166 PolarHBondContact O-N 3.07Å
143	V	92.4	Very high	90.7	Very high	45 Å²	45	40.2 Å²	40.2	27%	0.273	20%	0.2	S	C	.	.			trans	-134.7	141.4	-174.9	179.5	0	0	0	0	107.9	I141 H166 E170	I141-V143 WeakPolarHBondContact CG2-O 3.05Å; V143-H166 HydrophobicContact CG2-CB 4.12Å; V143-E170 HydrophobicContact CG1-CB 3.48Å; V143-E170 VanDerWaalsContact CG1-CB 3.48Å; V143-E170 HydrophobicContact CG1-CG 4.49Å; V143-E170 WeakPolarHBondContact CG2-OE2 3.25Å
144	L	91.8	Very high	90.3	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	21%	0.213	C	C	.	.			trans	-151.3	131.4	174.9	-169.1	65.6	0	0	0	107.7	I120 I141 V148 F149 L160 W165 L174	I120-L144 HydrophobicContact CB-CD1 3.97Å; I120-L144 HydrophobicContact CD1-CD1 3.97Å; I120-L144 HydrophobicContact CG1-CD1 4.36Å; I120-L144 HydrophobicContact CG2-CD1 4.39Å; I141-L144 HydrophobicContact CG2-CB 4.25Å; L144-V148 HydrophobicContact CD1-CB 4.37Å; L144-V148 HydrophobicContact CD1-CG1 3.95Å; L144-V148 HydrophobicContact CD1-CG2 3.56Å; L144-V148 HydrophobicContact CD2-CG2 4.14Å; L144-V148 HydrophobicContact CG-CG2 3.82Å; L144-F149 HydrophobicContact CD2-CE2 3.67Å; L144-F149 HydrophobicContact CD2-CZ 3.49Å; L144-F149 VanDerWaalsContact CD2-CZ 3.49Å; L144-F149 HydrophobicContact CG-CE2 4.23Å; L144-F149 HydrophobicContact CG-CZ 4.45Å; L144-L160 HydrophobicContact CD2-CD2 4.43Å; L144-W165 HydrophobicContact CB-CH2 4.01Å; L144-W165 HydrophobicContact CB-CZ3 3.68Å; L144-W165 HydrophobicContact CD2-CH2 4.17Å; L144-L174 HydrophobicContact CB-CD2 4.18Å; L144-L174 HydrophobicContact CD2-CD1 4.47Å; L144-L174 VanDerWaalsContact O-CB 3.22Å; L144-L174 WeakPolarHBondContact O-CB 3.43Å
145	T	85.4	Confident	89.9	Confident	41 Å²	41	43.6 Å²	43.6	25%	0.252	22%	0.216	S	C	.	.			trans	-94.9	165.6	175.1	57.6	0	0	0	0	110	E147 V148	T145-E147 PolarHBondContact O-N 3.31Å; T145-V148 WeakPolarHBondContact O-CG2 3.4Å
146	E	82.6	Confident	89.4	Confident	63 Å²	63	45.9 Å²	45.9	29%	0.294	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.3	-22.3	175.2	69.7	-167.9	-164.8	0	0	113.6	V148 F149 T173 M177	E146-V148 VanDerWaalsContact C-N 3.25Å; E146-V148 PolarHBondContact O-N 3.28Å; E146-V148 VanDerWaalsContact O-N 3.17Å; E146-F149 PolarHBondContact O-N 3.18Å; E146-T173 PolarHBondContact N-OG1 3.35Å; E146-T173 VanDerWaalsContact OE2-O 3.1Å; E146-M177 HydrophobicContact CB-CB 4.23Å
147	E	77.1	Confident	89.2	Confident	98 Å²	98	49.7 Å²	49.7	46%	0.458	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-54.1	-38.4	-175.5	-63.4	-178.1	170.4	0	0	113.4	T145 F149 I150	T145-E147 PolarHBondContact O-N 3.31Å; E147-F149 PolarHBondContact O-N 2.83Å; E147-F149 VanDerWaalsContact O-N 3.08Å; E147-I150 HydrophobicContact CB-CD1 4.17Å; E147-I150 HydrophobicContact CG-CD1 4.5Å; E147-I150 VanDerWaalsContact O-CB 3.27Å; E147-I150 WeakPolarHBondContact O-CB 3.14Å; E147-I150 WeakPolarHBondContact O-CD1 3.22Å; E147-I150 VanDerWaalsContact O-CG1 3.24Å; E147-I150 WeakPolarHBondContact O-CG1 3.13Å; E147-I150 PolarHBondContact O-N 3.13Å; E147-I150 VanDerWaalsContact O-N 3.11Å
148	V	84.2	Confident	89	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.012	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-61.9	-23.1	-179	-62.5	0	0	0	0	112.5	I120 F125 L144 T145 E146	I120-V148 HydrophobicContact CG2-CB 4.28Å; I120-V148 HydrophobicContact CG2-CG1 3.84Å; F125-V148 HydrophobicContact CD2-CB 4.22Å; F125-V148 WeakPolarHBondContact CD2-O 3.43Å; F125-V148 HydrophobicContact CE2-CB 4.38Å; L144-V148 HydrophobicContact CD1-CB 4.37Å; L144-V148 HydrophobicContact CD1-CG1 3.95Å; L144-V148 HydrophobicContact CD1-CG2 3.56Å; L144-V148 HydrophobicContact CD2-CG2 4.14Å; L144-V148 HydrophobicContact CG-CG2 3.82Å; T145-V148 WeakPolarHBondContact O-CG2 3.4Å; E146-V148 VanDerWaalsContact C-N 3.25Å; E146-V148 PolarHBondContact O-N 3.28Å; E146-V148 VanDerWaalsContact O-N 3.17Å
149	F	86.8	Confident	88.9	Confident	19 Å²	19	50.8 Å²	50.8	8%	0.083	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-93.6	-3.6	-177.2	-57.1	-67.7	0	0	0	113.5	L134 L144 E146 E147 Y151 T152 L155 L158 L174 M177	L134-F149 HydrophobicContact CD2-CD1 4.37Å; L134-F149 HydrophobicContact CD2-CE1 3.83Å; L144-F149 HydrophobicContact CD2-CE2 3.67Å; L144-F149 HydrophobicContact CD2-CZ 3.49Å; L144-F149 VanDerWaalsContact CD2-CZ 3.49Å; L144-F149 HydrophobicContact CG-CE2 4.23Å; L144-F149 HydrophobicContact CG-CZ 4.45Å; E146-F149 PolarHBondContact O-N 3.18Å; E147-F149 PolarHBondContact O-N 2.83Å; E147-F149 VanDerWaalsContact O-N 3.08Å; F149-Y151 PolarHBondContact O-N 2.97Å; F149-Y151 VanDerWaalsContact O-N 3.17Å; F149-T152 WeakPolarHBondContact CA-OG1 3.44Å; F149-T152 PolarHBondContact O-N 3.14Å; F149-T152 PolarHBondContact O-OG1 2.93Å; F149-L155 HydrophobicContact CD1-CD2 3.77Å; F149-L155 HydrophobicContact CE1-CD2 4.21Å; F149-L158 HydrophobicContact CD1-CD2 4.48Å; F149-L158 HydrophobicContact CE1-CD1 3.93Å; F149-L158 HydrophobicContact CE1-CD2 3.79Å; F149-L158 HydrophobicContact CE2-CD2 4.2Å; F149-L158 HydrophobicContact CZ-CD1 4.19Å; F149-L158 HydrophobicContact CZ-CD2 3.61Å; F149-L174 HydrophobicContact CD2-CD1 4.47Å; F149-L174 HydrophobicContact CE2-CD1 3.7Å; F149-M177 HydrophobicContact CD2-CE 3.63Å; F149-M177 HydrophobicContact CE2-CE 3.93Å; F149-M177 HydrophobicContact CG-CE 4.33Å
150	I	76.3	Confident	88.8	Confident	73 Å²	73	50.6 Å²	50.6	37%	0.374	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37.1	176.3	-71	172.5	0	0	0	111.1	E147 T152 V246	E147-I150 HydrophobicContact CB-CD1 4.17Å; E147-I150 HydrophobicContact CG-CD1 4.5Å; E147-I150 VanDerWaalsContact O-CB 3.27Å; E147-I150 WeakPolarHBondContact O-CB 3.14Å; E147-I150 WeakPolarHBondContact O-CD1 3.22Å; E147-I150 VanDerWaalsContact O-CG1 3.24Å; E147-I150 WeakPolarHBondContact O-CG1 3.13Å; E147-I150 PolarHBondContact O-N 3.13Å; E147-I150 VanDerWaalsContact O-N 3.11Å; I150-T152 VanDerWaalsContact C-N 3.27Å; I150-T152 PolarHBondContact O-N 3.42Å; I150-V246 HydrophobicContact CG1-CB 4.38Å; I150-V246 HydrophobicContact CG2-CB 4.4Å; I150-V246 HydrophobicContact CG2-CG1 4Å; I150-V246 HydrophobicContact CG2-CG2 4.41Å
151	Y	80.6	Confident	88.8	Confident	67 Å²	67	48 Å²	48	26%	0.263	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.4	-177.9	-55.5	-65.9	0	0	0	114.6	D123 F125 F126 L128 F149 P153	D123-Y151 HydrophobicContact CB-CE2 4.08Å; D123-Y151 VanDerWaalsContact OD1-CE2 3.25Å; D123-Y151 WeakPolarHBondContact OD1-CE2 3.33Å; D123-Y151 PolarHBondContact OD1-OH 3.24Å; F125-Y151 WeakPolarHBondContact O-CB 3.32Å; F126-Y151 HydrophobicContact CB-CD1 4.49Å; F126-Y151 HydrophobicContact CB-CD2 4.34Å; F126-Y151 HydrophobicContact CB-CG 4.29Å; F126-Y151 AromaticContact CD2-CD1 3.62Å; F126-Y151 HydrophobicContact CD2-CD1 3.62Å; F126-Y151 AromaticContact CD2-CE1 3.39Å; F126-Y151 HydrophobicContact CD2-CE1 3.39Å; F126-Y151 HydrophobicContact CD2-CE2 4.46Å; F126-Y151 HydrophobicContact CD2-CG 4.25Å; F126-Y151 AromaticContact CD2-CZ 3.82Å; F126-Y151 HydrophobicContact CE2-CD1 4.28Å; F126-Y151 AromaticContact CE2-CE1 3.93Å; F126-Y151 HydrophobicContact CE2-CE1 3.93Å; F126-Y151 HydrophobicContact CG-CD1 4.43Å; F126-Y151 HydrophobicContact CG-CE1 4.48Å; L128-Y151 CarbonylContact C-O 3.35Å; L128-Y151 VanDerWaalsContact C-O 3.32Å; F149-Y151 PolarHBondContact O-N 2.97Å; F149-Y151 VanDerWaalsContact O-N 3.17Å; Y151-P153 VanDerWaalsContact C-CD 3.45Å; Y151-P153 WeakPolarHBondContact O-CD 3.34Å
152	T	86.5	Confident	88.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	26%	0.26	C	S	.	.			trans	-125.8	62.4	-177.8	56.6	0	0	0	0	111.8	F125 L128 L131 F149 I150 L154 L155	F125-T152 HydrophobicContact CB-CG2 4.01Å; L128-T152 HydrophobicContact CB-CG2 3.97Å; L131-T152 HydrophobicContact CB-CG2 4.07Å; L131-T152 HydrophobicContact CD2-CG2 3.73Å; F149-T152 WeakPolarHBondContact CA-OG1 3.44Å; F149-T152 PolarHBondContact O-N 3.14Å; F149-T152 PolarHBondContact O-OG1 2.93Å; I150-T152 VanDerWaalsContact C-N 3.27Å; I150-T152 PolarHBondContact O-N 3.42Å; T152-L154 PolarHBondContact O-N 3.29Å; T152-L155 WeakPolarHBondContact O-CB 3.42Å; T152-L155 PolarHBondContact O-N 2.94Å; T152-L155 VanDerWaalsContact O-N 3.14Å
153	P	82.9	Confident	88.8	Confident	70 Å²	70	46.8 Å²	46.8	46%	0.455	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19	-171.8	28.5	-37.3	0	0	0	114.4	Y151 L155	Y151-P153 VanDerWaalsContact C-CD 3.45Å; Y151-P153 WeakPolarHBondContact O-CD 3.34Å; P153-L155 VanDerWaalsContact C-N 3.35Å
154	L	88	Confident	89.1	Confident	88 Å²	88	46 Å²	46	46%	0.461	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.4	177.8	-60.4	-175.1	0	0	0	113.2	K130 L131 T132 T152 S156	K130-L154 HydrophobicContact CD-CD1 4.18Å; L131-L154 CarbonylContact O-C 3.07Å; T132-L154 WeakPolarHBondContact CA-O 3.01Å; T132-L154 HydrophobicContact CG2-CB 4.37Å; T152-L154 PolarHBondContact O-N 3.29Å; L154-S156 PolarHBondContact O-N 3.2Å; L154-S156 VanDerWaalsContact O-N 3.13Å
155	L	89.9	Confident	89.4	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.079	23%	0.23	C	C	.	.			trans	-62.8	116.7	-177.8	-170.8	68.7	0	0	0	110	L131 L134 F149 T152 P153 L158	L131-L155 WeakPolarHBondContact O-CA 3.14Å; L131-L155 PolarHBondContact O-N 3.1Å; L134-L155 HydrophobicContact CB-CD1 3.67Å; F149-L155 HydrophobicContact CD1-CD2 3.77Å; F149-L155 HydrophobicContact CE1-CD2 4.21Å; T152-L155 WeakPolarHBondContact O-CB 3.42Å; T152-L155 PolarHBondContact O-N 2.94Å; T152-L155 VanDerWaalsContact O-N 3.14Å; P153-L155 VanDerWaalsContact C-N 3.35Å; L155-L158 HydrophobicContact CD2-CB 4.13Å; L155-L158 HydrophobicContact CD2-CD1 4.43Å; L155-L158 HydrophobicContact CD2-CD2 4.22Å; L155-L158 HydrophobicContact CD2-CG 4.48Å
156	S	88	Confident	89.8	Confident	70 Å²	70	46.3 Å²	46.3	49%	0.49	23%	0.23	S	C	.	.			trans	-119.4	-14.5	-178.7	57	0	0	0	0	112.5	T132 L154	T132-S156 PolarHBondContact O-N 3.18Å; T132-S156 PolarHBondContact O-OG 3.11Å; L154-S156 PolarHBondContact O-N 3.2Å; L154-S156 VanDerWaalsContact O-N 3.13Å
157	Y	93.3	Very high	90.4	Very high	80 Å²	80	43.5 Å²	43.5	31%	0.314	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	109.6	179.9	-160.9	-100.7	0	0	0	111.3	T132 T133 L134 L135 R159 N185	T132-Y157 PolarHBondContact O-N 3.24Å; T133-Y157 WeakPolarHBondContact CA-O 3.35Å; T133-Y157 HydrophobicContact CG2-CD1 4.05Å; L134-Y157 PolarHBondContact N-O 2.63Å; L135-Y157 HydrophobicContact CD2-CD1 3.95Å; L135-Y157 HydrophobicContact CD2-CE1 3.96Å; Y157-R159 HydrophobicContact CD1-CG 4.45Å; Y157-R159 HydrophobicContact CE1-CG 3.77Å; Y157-R159 VanDerWaalsContact CE1-NE 3.32Å; Y157-R159 VanDerWaalsContact OH-CZ 3.25Å; Y157-R159 PolarHBondContact OH-NE 2.81Å; Y157-R159 PolarHBondContact OH-NH2 3.02Å; Y157-N185 HydrophobicContact CD2-CB 4.39Å
158	L	95	Very high	90.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.6	-179.3	176.4	61.1	0	0	0	110.1	L134 L136 F149 L155 L160 M177 L186 G187	L134-L158 HydrophobicContact CB-CD1 4.05Å; L134-L158 HydrophobicContact CD2-CD1 4.06Å; L134-L158 HydrophobicContact CG-CD1 3.99Å; L134-L158 WeakPolarHBondContact O-CA 3.42Å; L136-L158 HydrophobicContact CD1-CD1 4.33Å; F149-L158 HydrophobicContact CD1-CD2 4.48Å; F149-L158 HydrophobicContact CE1-CD1 3.93Å; F149-L158 HydrophobicContact CE1-CD2 3.79Å; F149-L158 HydrophobicContact CE2-CD2 4.2Å; F149-L158 HydrophobicContact CZ-CD1 4.19Å; F149-L158 HydrophobicContact CZ-CD2 3.61Å; L155-L158 HydrophobicContact CD2-CB 4.13Å; L155-L158 HydrophobicContact CD2-CD1 4.43Å; L155-L158 HydrophobicContact CD2-CD2 4.22Å; L155-L158 HydrophobicContact CD2-CG 4.48Å; L158-L160 HydrophobicContact CD1-CD2 4.01Å; L158-L160 HydrophobicContact CD1-CG 4.23Å; L158-L160 HydrophobicContact CD2-CD1 3.87Å; L158-L160 HydrophobicContact CD2-CD2 4.43Å; L158-L160 HydrophobicContact CD2-CG 4.16Å; L158-L160 HydrophobicContact CG-CD1 4.14Å; L158-L160 HydrophobicContact CG-CD2 4.21Å; L158-L160 HydrophobicContact CG-CG 3.9Å; L158-M177 HydrophobicContact CD2-CE 4.47Å; L158-L186 HydrophobicContact CB-CB 4.09Å; L158-L186 HydrophobicContact CB-CD2 3.63Å; L158-L186 HydrophobicContact CB-CG 4.31Å; L158-G187 PolarHBondContact O-N 3.15Å
159	R	95.9	Very high	90.8	Very high	83 Å²	83	43 Å²	43	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	175.9	-73.5	-171.2	179.7	176.8	5.3	111.2	L134 L135 L136 Q137 Y157 Y161	L134-R159 PolarHBondContact O-N 3.17Å; L134-R159 VanDerWaalsContact O-N 3.14Å; L135-R159 HydrophobicContact CD2-CB 4.27Å; L135-R159 HydrophobicContact CD2-CG 4.1Å; L136-R159 CarbonylContact C-O 3.13Å; L136-R159 WeakPolarHBondContact CA-O 3.37Å; L136-R159 PolarHBondContact N-O 3.05Å; Q137-R159 HydrophobicContact CB-CB 4.37Å; Q137-R159 PolarHBondContact N-O 2.87Å; Y157-R159 HydrophobicContact CD1-CG 4.45Å; Y157-R159 HydrophobicContact CE1-CG 3.77Å; Y157-R159 VanDerWaalsContact CE1-NE 3.32Å; Y157-R159 VanDerWaalsContact OH-CZ 3.25Å; Y157-R159 PolarHBondContact OH-NE 2.81Å; Y157-R159 PolarHBondContact OH-NH2 3.02Å; R159-Y161 HydrophobicContact CB-CE1 4.3Å; R159-Y161 HydrophobicContact CG-CE1 4.27Å
160	L	96.4	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.			trans	-126.6	-5.3	-173.9	-68.5	175.2	0	0	0	113.9	L136 L144 L158 N163 W165 L174 L178 A190	L136-L160 HydrophobicContact CB-CD2 4.16Å; L136-L160 HydrophobicContact CD1-CD2 4.16Å; L144-L160 HydrophobicContact CD2-CD2 4.43Å; L158-L160 HydrophobicContact CD1-CD2 4.01Å; L158-L160 HydrophobicContact CD1-CG 4.23Å; L158-L160 HydrophobicContact CD2-CD1 3.87Å; L158-L160 HydrophobicContact CD2-CD2 4.43Å; L158-L160 HydrophobicContact CD2-CG 4.16Å; L158-L160 HydrophobicContact CG-CD1 4.14Å; L158-L160 HydrophobicContact CG-CD2 4.21Å; L158-L160 HydrophobicContact CG-CG 3.9Å; L160-N163 PolarHBondContact O-ND2 3.25Å; L160-N163 VanDerWaalsContact O-ND2 3.15Å; L160-W165 HydrophobicContact CB-CZ2 3.74Å; L160-W165 HydrophobicContact CD1-CZ2 4.4Å; L160-W165 HydrophobicContact CD2-CH2 4.03Å; L160-W165 HydrophobicContact CD2-CZ2 3.8Å; L160-W165 HydrophobicContact CG-CZ2 4.17Å; L160-W165 PolarHBondContact O-NE1 2.81Å; L160-L174 HydrophobicContact CD1-CD1 4.44Å; L160-L178 HydrophobicContact CD1-CD1 4.25Å; L160-L178 HydrophobicContact CD1-CD2 4.31Å; L160-A190 HydrophobicContact CB-CB 3.97Å
161	Y	96.7	Very high	91.3	Very high	51 Å²	51	43 Å²	43	20%	0.2	22%	0.216	C	C	.	.			trans	-63.4	162.1	-177.3	68	-96.3	0	0	0	112.5	Q137 H138 R159 N163	Q137-Y161 WeakPolarHBondContact CA-O 3.5Å; Q137-Y161 HydrophobicContact CB-CD1 4.04Å; Q137-Y161 HydrophobicContact CB-CD2 4.01Å; Q137-Y161 HydrophobicContact CB-CE1 3.88Å; Q137-Y161 HydrophobicContact CB-CE2 3.82Å; Q137-Y161 HydrophobicContact CB-CG 4.1Å; Q137-Y161 WeakPolarHBondContact CB-O 3.03Å; Q137-Y161 HydrophobicContact CG-CE1 4.06Å; Q137-Y161 HydrophobicContact CG-CE2 3.98Å; H138-Y161 AromaticContact CE1-CE2 3.87Å; H138-Y161 PolarHBondContact N-O 2.97Å; H138-Y161 VanDerWaalsContact N-O 3.17Å; H138-Y161 AromaticContact NE2-CE2 3.57Å; R159-Y161 HydrophobicContact CB-CE1 4.3Å; R159-Y161 HydrophobicContact CG-CE1 4.27Å; Y161-N163 VanDerWaalsContact C-N 3.3Å; Y161-N163 PolarHBondContact O-N 3.24Å
162	D	97.4	Very high	91.4	Very high	98 Å²	98	41.4 Å²	41.4	52%	0.524	21%	0.211	S	C	.	.	S	Bend	trans	53.5	46.9	-175.9	-63.8	-5.7	0	0	0	113.2	H138 N139	H138-D162 WeakPolarHBondContact CA-O 3.4Å; H138-D162 IonicContact CE1-OD2 3.89Å; H138-D162 PolarHBondContact CE1-OD2 3.17Å; H138-D162 PolarHBondContact N-O 3.35Å; H138-D162 VanDerWaalsContact ND1-CB 3.34Å; H138-D162 WeakPolarHBondContact ND1-CB 3.37Å; H138-D162 IonicContact ND1-OD2 3.83Å; H138-D162 PolarHBondContact ND1-OD2 2.97Å; H138-D162 IonicContact NE2-OD2 2.71Å; N139-D162 PolarHBondContact N-O 3.03Å
163	N	98.4	Very high	91.2	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.048	22%	0.224	C	C	.	.	S	Bend	trans	-121.2	147.3	162.8	-82.9	-81.8	0	0	0	108	L136 N139 Q140 I141 L160 Y161 W165	L136-N163 PolarHBondContact O-ND2 2.99Å; N139-N163 VanDerWaalsContact CA-OD1 3.24Å; N139-N163 WeakPolarHBondContact CA-OD1 3.18Å; N139-N163 WeakPolarHBondContact CB-OD1 3.21Å; N139-N163 PolarHBondContact N-OD1 2.69Å; N139-N163 PolarHBondContact O-OD1 3.15Å; Q140-N163 PolarHBondContact N-OD1 3.34Å; I141-N163 HydrophobicContact CB-CB 4.28Å; I141-N163 WeakPolarHBondContact CB-OD1 3.41Å; I141-N163 WeakPolarHBondContact CG1-OD1 3.37Å; I141-N163 PolarHBondContact N-OD1 2.8Å; L160-N163 PolarHBondContact O-ND2 3.25Å; L160-N163 VanDerWaalsContact O-ND2 3.15Å; Y161-N163 VanDerWaalsContact C-N 3.3Å; Y161-N163 PolarHBondContact O-N 3.24Å; N163-W165 HydrophobicContact CB-CD2 4.25Å; N163-W165 HydrophobicContact CB-CG 4.45Å; N163-W165 HydrophobicContact CB-CZ2 3.79Å; N163-W165 VanDerWaalsContact O-CD1 3.25Å; N163-W165 PolarHBondContact O-N 3.21Å
164	P	97.6	Very high	91.4	Very high	29 Å²	29	40.2 Å²	40.2	19%	0.188	20%	0.202	C	C	.	.			trans	-76	60.5	-179.1	33.7	-38	0	0	0	112.1	I141 K142 H166 E193	I141-P164 CarbonylContact O-C 3.44Å; I141-P164 VanDerWaalsContact O-CD 3.29Å; I141-P164 WeakPolarHBondContact O-CD 3.44Å; K142-P164 WeakPolarHBondContact CA-O 3.37Å; K142-P164 HydrophobicContact CG-CG 4.12Å; P164-H166 PolarHBondContact O-N 3.35Å; P164-E193 HydrophobicContact CB-CB 4.34Å; P164-E193 HydrophobicContact CB-CG 4.34Å
165	W	97.6	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	125	-175.7	-64.6	108	0	0	0	111.8	I141 K142 L144 L160 N163 L171 L174 K191 E193 S194 L203	I141-W165 HydrophobicContact CB-CH2 4.01Å; I141-W165 HydrophobicContact CB-CZ2 4.48Å; I141-W165 HydrophobicContact CB-CZ3 4.28Å; I141-W165 HydrophobicContact CG2-CE3 4.42Å; I141-W165 HydrophobicContact CG2-CH2 3.54Å; I141-W165 HydrophobicContact CG2-CZ2 4.46Å; I141-W165 HydrophobicContact CG2-CZ3 3.53Å; K142-W165 CarbonylContact O-C 3.56Å; K142-W165 WeakPolarHBondContact O-CA 3.36Å; L144-W165 HydrophobicContact CB-CH2 4.01Å; L144-W165 HydrophobicContact CB-CZ3 3.68Å; L144-W165 HydrophobicContact CD2-CH2 4.17Å; L160-W165 HydrophobicContact CB-CZ2 3.74Å; L160-W165 HydrophobicContact CD1-CZ2 4.4Å; L160-W165 HydrophobicContact CD2-CH2 4.03Å; L160-W165 HydrophobicContact CD2-CZ2 3.8Å; L160-W165 HydrophobicContact CG-CZ2 4.17Å; L160-W165 PolarHBondContact O-NE1 2.81Å; N163-W165 HydrophobicContact CB-CD2 4.25Å; N163-W165 HydrophobicContact CB-CG 4.45Å; N163-W165 HydrophobicContact CB-CZ2 3.79Å; N163-W165 VanDerWaalsContact O-CD1 3.25Å; N163-W165 PolarHBondContact O-N 3.21Å; W165-L171 HydrophobicContact CE3-CD1 3.88Å; W165-L171 HydrophobicContact CZ3-CD1 4.15Å; W165-L174 HydrophobicContact CH2-CD2 4.38Å; W165-L174 HydrophobicContact CZ3-CD2 4.05Å; W165-K191 VanDerWaalsContact CD1-O 3.31Å; W165-E193 PolarHBondContact O-N 2.98Å; W165-S194 PolarHBondContact O-N 3.15Å; W165-S194 VanDerWaalsContact O-N 3.14Å; W165-L203 HydrophobicContact CD2-CD1 4.15Å; W165-L203 HydrophobicContact CG-CD1 4.11Å
166	H	95.4	Very high	91	Very high	52 Å²	52	37.3 Å²	37.3	24%	0.241	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	92.9	175.3	-169.4	51.7	0	0	0	108.1	K142 V143 P164 M168 S194	K142-H166 HydrophobicContact CB-CB 4.16Å; K142-H166 PolarHBondContact O-N 3.07Å; V143-H166 HydrophobicContact CG2-CB 4.12Å; P164-H166 PolarHBondContact O-N 3.35Å; H166-M168 VanDerWaalsContact C-N 3.33Å; H166-M168 VanDerWaalsContact CD2-CE 3.46Å; H166-M168 WeakPolarHBondContact CD2-CE 3.47Å; H166-M168 VanDerWaalsContact CE1-SD 3.53Å; H166-M168 WeakPolarHBondContact NE2-CE 3.44Å; H166-M168 PolarHBondContact NE2-SD 2.89Å; H166-M168 PolarHBondContact O-N 3.46Å; H166-S194 CarbonylContact C-O 3.21Å; H166-S194 WeakPolarHBondContact CA-O 3.39Å; H166-S194 WeakPolarHBondContact CA-OG 3.09Å; H166-S194 PolarHBondContact ND1-OG 3.13Å
167	C	94.7	Very high	90.8	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.027	17%	0.17	C	C	.	.			trans	-80.8	80.8	-174.4	-67	0	0	0	0	110.5	L171 C192 S194 P195 M198 L203 L206 L211	C167-L171 HydrophobicContact CB-CD2 4.27Å; C167-C192 HydrophobicContact CB-CB 3.78Å; C167-C192 WeakPolarHBondContact CB-SG 3.38Å; C167-C192 WeakPolarHBondContact SG-CA 2.96Å; C167-C192 WeakPolarHBondContact SG-CB 3.44Å; C167-C192 CovalentContact SG-SG 2.01Å; C167-C192 PolarHBondContact SG-SG 3.2Å; C167-S194 PolarHBondContact N-O 3.29Å; C167-P195 VanDerWaalsContact O-CD 3.22Å; C167-P195 WeakPolarHBondContact O-CD 3.36Å; C167-M198 HydrophobicContact CB-CB 4.28Å; C167-L203 VanDerWaalsContact SG-CD2 3.53Å; C167-L206 HydrophobicContact CB-CD1 4.4Å; C167-L211 HydrophobicContact CB-CD2 3.74Å
168	M	87.9	Confident	90.4	Very high	77 Å²	77	30.8 Å²	30.8	38%	0.379	16%	0.155	S	C	.	.	S	Bend	trans	-126.6	-168.8	169.5	-55.8	-162.6	-45.8	0	0	109.2	H166 E170 L171 L211	H166-M168 VanDerWaalsContact C-N 3.33Å; H166-M168 VanDerWaalsContact CD2-CE 3.46Å; H166-M168 WeakPolarHBondContact CD2-CE 3.47Å; H166-M168 VanDerWaalsContact CE1-SD 3.53Å; H166-M168 WeakPolarHBondContact NE2-CE 3.44Å; H166-M168 PolarHBondContact NE2-SD 2.89Å; H166-M168 PolarHBondContact O-N 3.46Å; M168-E170 VanDerWaalsContact C-N 3.27Å; M168-E170 PolarHBondContact O-N 3.35Å; M168-E170 VanDerWaalsContact O-N 3.17Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.09Å; M168-L211 CarbonylContact C-O 3.46Å
169	C	82.2	Confident	89.7	Confident	14 Å²	14	34.1 Å²	34.1	10%	0.095	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.9	-35.2	-171.1	-171.3	0	0	0	0	114.8	L171 E172 L211 C212 L220	C169-L171 PolarHBondContact O-N 3.33Å; C169-E172 WeakPolarHBondContact O-CB 3.24Å; C169-E172 PolarHBondContact O-N 3.29Å; C169-L211 VanDerWaalsContact CA-O 3.28Å; C169-L211 WeakPolarHBondContact CA-O 3.38Å; C169-L211 PolarHBondContact N-O 3.18Å; C169-C212 WeakPolarHBondContact CA-SG 3.49Å; C169-C212 HydrophobicContact CB-CB 3.83Å; C169-C212 WeakPolarHBondContact CB-SG 3.49Å; C169-C212 PolarHBondContact O-SG 3.02Å; C169-C212 VanDerWaalsContact O-SG 3.41Å; C169-C212 WeakPolarHBondContact SG-CB 3.2Å; C169-C212 CovalentContact SG-SG 2.02Å; C169-C212 PolarHBondContact SG-SG 2.88Å; C169-L220 HydrophobicContact CB-CD1 3.71Å; C169-L220 WeakPolarHBondContact SG-CD1 3.29Å
170	E	83.3	Confident	88.6	Confident	91 Å²	91	32.3 Å²	32.3	43%	0.425	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-60.4	-17.5	177.2	-55.3	173.3	128.7	0	0	114.1	V143 M168 L220	V143-E170 HydrophobicContact CG1-CB 3.48Å; V143-E170 VanDerWaalsContact CG1-CB 3.48Å; V143-E170 HydrophobicContact CG1-CG 4.49Å; V143-E170 WeakPolarHBondContact CG2-OE2 3.25Å; M168-E170 VanDerWaalsContact C-N 3.27Å; M168-E170 PolarHBondContact O-N 3.35Å; M168-E170 VanDerWaalsContact O-N 3.17Å; E170-L220 HydrophobicContact CG-CD2 4.18Å
171	L	89.1	Confident	87	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-94.6	-4.5	179.8	-153.7	68.6	0	0	0	113.1	W165 C167 M168 C169 T173 L174 V175 L203	W165-L171 HydrophobicContact CE3-CD1 3.88Å; W165-L171 HydrophobicContact CZ3-CD1 4.15Å; C167-L171 HydrophobicContact CB-CD2 4.27Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.09Å; C169-L171 PolarHBondContact O-N 3.33Å; L171-T173 PolarHBondContact O-N 3.22Å; L171-L174 HydrophobicContact CD1-CB 4.31Å; L171-L174 HydrophobicContact CD1-CD2 3.56Å; L171-L174 HydrophobicContact CG-CD2 4.18Å; L171-L174 PolarHBondContact O-N 3.29Å; L171-V175 HydrophobicContact CD2-CG2 4.42Å; L171-V175 HydrophobicContact CG-CG2 4.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.5Å; L171-V175 PolarHBondContact O-N 3.11Å; L171-L203 HydrophobicContact CD2-CD2 3.51Å
172	E	83.1	Confident	85.5	Confident	34 Å²	34	42.7 Å²	42.7	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-54.4	-49.3	-175.5	-177.9	-174.8	-163.3	0	0	112.2	C169 L174 V175 S176 P208 C212 R217	C169-E172 WeakPolarHBondContact O-CB 3.24Å; C169-E172 PolarHBondContact O-N 3.29Å; E172-L174 PolarHBondContact O-N 3.28Å; E172-V175 PolarHBondContact O-N 3.08Å; E172-S176 WeakPolarHBondContact O-CB 3.39Å; E172-S176 PolarHBondContact O-N 3.17Å; E172-S176 PolarHBondContact O-OG 3.11Å; E172-P208 HydrophobicContact CG-CB 4.01Å; E172-C212 PolarHBondContact OE2-SG 3.12Å; E172-R217 IonicContact OE1-CZ 3.68Å; E172-R217 IonicContact OE1-NE 3.79Å; E172-R217 PolarHBondContact OE1-NE 3.15Å; E172-R217 IonicContact OE1-NH2 3.99Å; E172-R217 PolarHBondContact OE1-NH2 3.38Å; E172-R217 IonicContact OE2-NE 3.04Å
173	T	81.5	Confident	84.4	Confident	47 Å²	47	38.2 Å²	38.2	29%	0.288	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-44.2	-177.3	56	0	0	0	0	111.5	E146 L171 V175 S176 M177	E146-T173 PolarHBondContact N-OG1 3.35Å; E146-T173 VanDerWaalsContact OE2-O 3.1Å; L171-T173 PolarHBondContact O-N 3.22Å; T173-V175 PolarHBondContact O-N 2.96Å; T173-S176 PolarHBondContact O-N 3.31Å; T173-M177 WeakPolarHBondContact O-CB 3.3Å; T173-M177 PolarHBondContact O-N 3.17Å
174	L	88.7	Confident	83	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-47.1	174.4	-179.5	75	0	0	0	111.7	L144 F149 L160 W165 L171 E172 S176 M177 L178	L144-L174 HydrophobicContact CB-CD2 4.18Å; L144-L174 HydrophobicContact CD2-CD1 4.47Å; L144-L174 VanDerWaalsContact O-CB 3.22Å; L144-L174 WeakPolarHBondContact O-CB 3.43Å; F149-L174 HydrophobicContact CD2-CD1 4.47Å; F149-L174 HydrophobicContact CE2-CD1 3.7Å; L160-L174 HydrophobicContact CD1-CD1 4.44Å; W165-L174 HydrophobicContact CH2-CD2 4.38Å; W165-L174 HydrophobicContact CZ3-CD2 4.05Å; L171-L174 HydrophobicContact CD1-CB 4.31Å; L171-L174 HydrophobicContact CD1-CD2 3.56Å; L171-L174 HydrophobicContact CG-CD2 4.18Å; L171-L174 PolarHBondContact O-N 3.29Å; E172-L174 PolarHBondContact O-N 3.28Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 2.84Å; L174-M177 HydrophobicContact CD1-CE 3.9Å; L174-M177 PolarHBondContact O-N 3.47Å; L174-L178 HydrophobicContact CG-CD1 4.18Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 VanDerWaalsContact O-CG 3.24Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 2.93Å
175	V	87.4	Confident	81.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-44	179.9	167.4	0	0	0	0	110.8	L171 E172 T173 L178 Q179 L203 L206 L211	L171-V175 HydrophobicContact CD2-CG2 4.42Å; L171-V175 HydrophobicContact CG-CG2 4.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.5Å; L171-V175 PolarHBondContact O-N 3.11Å; E172-V175 PolarHBondContact O-N 3.08Å; T173-V175 PolarHBondContact O-N 2.96Å; V175-L178 PolarHBondContact O-N 2.83Å; V175-Q179 VanDerWaalsContact O-CG 3.31Å; V175-Q179 WeakPolarHBondContact O-CG 3.47Å; V175-Q179 PolarHBondContact O-N 2.84Å; V175-L203 HydrophobicContact CG2-CB 4.43Å; V175-L203 HydrophobicContact CG2-CD2 4.11Å; V175-L206 HydrophobicContact CG1-CB 4.09Å; V175-L206 HydrophobicContact CG2-CD1 4.32Å; V175-L211 HydrophobicContact CB-CD1 3.96Å; V175-L211 HydrophobicContact CG1-CD1 4.15Å; V175-L211 HydrophobicContact CG2-CD1 3.77Å
176	S	82.3	Confident	81.4	Confident	43 Å²	43	50.5 Å²	50.5	30%	0.301	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-45.9	176	-59.5	0	0	0	0	111.6	E172 T173 L174 L178 Q179	E172-S176 WeakPolarHBondContact O-CB 3.39Å; E172-S176 PolarHBondContact O-N 3.17Å; E172-S176 PolarHBondContact O-OG 3.11Å; T173-S176 PolarHBondContact O-N 3.31Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 2.84Å; S176-L178 PolarHBondContact O-N 2.85Å; S176-Q179 PolarHBondContact O-N 3.35Å
177	M	83.6	Confident	80.8	Confident	11 Å²	11	48 Å²	48	5%	0.054	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-44.2	175.7	-179.5	-83.8	-78.1	0	0	112.1	E146 F149 L158 T173 L174 Q179 I180 N183 L186 F247	E146-M177 HydrophobicContact CB-CB 4.23Å; F149-M177 HydrophobicContact CD2-CE 3.63Å; F149-M177 HydrophobicContact CE2-CE 3.93Å; F149-M177 HydrophobicContact CG-CE 4.33Å; L158-M177 HydrophobicContact CD2-CE 4.47Å; T173-M177 WeakPolarHBondContact O-CB 3.3Å; T173-M177 PolarHBondContact O-N 3.17Å; L174-M177 HydrophobicContact CD1-CE 3.9Å; L174-M177 PolarHBondContact O-N 3.47Å; M177-Q179 PolarHBondContact O-N 3.13Å; M177-I180 WeakPolarHBondContact O-CG1 3.39Å; M177-I180 PolarHBondContact O-N 3.27Å; M177-N183 PolarHBondContact O-ND2 3.07Å; M177-N183 PolarHBondContact SD-ND2 3.31Å; M177-L186 HydrophobicContact SD-CD1 3.87Å; M177-F247 HydrophobicContact CG-CD1 4.17Å
178	L	84.4	Confident	80.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-28.5	-179.5	-69.9	178.2	0	0	0	112.8	L160 L174 V175 S176 L186 L203 L204	L160-L178 HydrophobicContact CD1-CD1 4.25Å; L160-L178 HydrophobicContact CD1-CD2 4.31Å; L174-L178 HydrophobicContact CG-CD1 4.18Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 VanDerWaalsContact O-CG 3.24Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 2.93Å; V175-L178 PolarHBondContact O-N 2.83Å; S176-L178 PolarHBondContact O-N 2.85Å; L178-L186 HydrophobicContact CD2-CB 3.64Å; L178-L203 HydrophobicContact CD1-CB 4.17Å; L178-L203 HydrophobicContact CD1-CD1 4.24Å; L178-L204 HydrophobicContact CB-CD2 3.76Å; L178-L204 WeakPolarHBondContact O-CD2 3.35Å
179	Q	80.5	Confident	80.8	Confident	72 Å²	72	54.8 Å²	54.8	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-83.4	-9.1	-176.8	-71.1	175.7	9.1	0	0	114.7	V175 S176 M177 L206	V175-Q179 VanDerWaalsContact O-CG 3.31Å; V175-Q179 WeakPolarHBondContact O-CG 3.47Å; V175-Q179 PolarHBondContact O-N 2.84Å; S176-Q179 PolarHBondContact O-N 3.35Å; M177-Q179 PolarHBondContact O-N 3.13Å; Q179-L206 PolarHBondContact NE2-O 3Å
180	I	72.3	Confident	81.5	Confident	44 Å²	44	54.1 Å²	54.1	23%	0.226	25%	0.254	C	S	.	.	S	Bend	trans	-58.2	132.5	178.2	-64.5	168	0	0	0	109.5	M177 R182 N183 F247 P248	M177-I180 WeakPolarHBondContact O-CG1 3.39Å; M177-I180 PolarHBondContact O-N 3.27Å; I180-R182 HydrophobicContact CG2-CB 4.23Å; I180-R182 PolarHBondContact O-N 3.32Å; I180-N183 HydrophobicContact CB-CB 4.4Å; I180-N183 WeakPolarHBondContact O-CA 3.29Å; I180-N183 WeakPolarHBondContact O-CB 3.24Å; I180-N183 PolarHBondContact O-N 3.44Å; I180-F247 HydrophobicContact CD1-CD1 3.58Å; I180-F247 HydrophobicContact CD1-CE1 3.72Å; I180-F247 HydrophobicContact CG2-CE1 4.42Å; I180-P248 HydrophobicContact CG2-CG 4.24Å
181	P	63.7	Low	82.2	Confident	100 Å²	100	54.3 Å²	54.3	65%	0.649	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.7	-175.6	-29.1	35.3	0	0	0	116.2	R184	P181-R184 VanDerWaalsContact O-CG 3.27Å; P181-R184 WeakPolarHBondContact O-CG 3.38Å; P181-R184 PolarHBondContact O-NE 3.32Å; P181-R184 VanDerWaalsContact O-NE 3.08Å
182	R	65.4	Low	82.5	Confident	169 Å²	169	54.4 Å²	54.4	64%	0.638	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.7	173.3	-169.2	177.4	176.5	-167.8	-4	112.5	I180 R184 P248	I180-R182 HydrophobicContact CG2-CB 4.23Å; I180-R182 PolarHBondContact O-N 3.32Å; R182-R184 PolarHBondContact O-N 3.42Å; R182-P248 PolarHBondContact NH1-O 2.79Å
183	N	72.8	Confident	83.2	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.027	27%	0.266	C	S	.	.			trans	-95.6	25.1	-173.3	-71.5	-5	0	0	0	114.3	M177 I180 N185 L186 F247	M177-N183 PolarHBondContact O-ND2 3.07Å; M177-N183 PolarHBondContact SD-ND2 3.31Å; I180-N183 HydrophobicContact CB-CB 4.4Å; I180-N183 WeakPolarHBondContact O-CA 3.29Å; I180-N183 WeakPolarHBondContact O-CB 3.24Å; I180-N183 PolarHBondContact O-N 3.44Å; N183-N185 PolarHBondContact O-N 3.46Å; N183-L186 HydrophobicContact CB-CB 4.22Å; N183-L186 HydrophobicContact CB-CD1 3.78Å; N183-L186 HydrophobicContact CB-CG 3.85Å; N183-L186 PolarHBondContact O-N 2.74Å; N183-F247 WeakPolarHBondContact ND2-CE1 3.45Å; N183-F247 VanDerWaalsContact ND2-CZ 3.35Å; N183-F247 WeakPolarHBondContact ND2-CZ 3.43Å; N183-F247 WeakPolarHBondContact OD1-CE1 3.49Å; N183-F247 WeakPolarHBondContact OD1-CZ 3.41Å
184	R	69.8	Low	83.8	Confident	196 Å²	196	56.3 Å²	56.3	74%	0.74	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-23	-178	-64.5	175	-173.5	-161.8	-3.3	114.4	P181 R182 N188	P181-R184 VanDerWaalsContact O-CG 3.27Å; P181-R184 WeakPolarHBondContact O-CG 3.38Å; P181-R184 PolarHBondContact O-NE 3.32Å; P181-R184 VanDerWaalsContact O-NE 3.08Å; R182-R184 PolarHBondContact O-N 3.42Å; R184-N188 PolarHBondContact O-ND2 2.86Å
185	N	73.8	Confident	84.1	Confident	95 Å²	95	58.2 Å²	58.2	51%	0.508	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-3.2	-178.6	-65.1	-30.9	0	0	0	114.2	Y157 N183 N188	Y157-N185 HydrophobicContact CD2-CB 4.39Å; N183-N185 PolarHBondContact O-N 3.46Å; N185-N188 WeakPolarHBondContact CA-ND2 3.34Å; N185-N188 PolarHBondContact O-ND2 3.42Å
186	L	87.1	Confident	84.4	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-91.9	138.8	-178.8	-50.2	-168.3	0	0	0	110.7	L158 M177 L178 N183 N188	L158-L186 HydrophobicContact CB-CB 4.09Å; L158-L186 HydrophobicContact CB-CD2 3.63Å; L158-L186 HydrophobicContact CB-CG 4.31Å; M177-L186 HydrophobicContact SD-CD1 3.87Å; L178-L186 HydrophobicContact CD2-CB 3.64Å; N183-L186 HydrophobicContact CB-CB 4.22Å; N183-L186 HydrophobicContact CB-CD1 3.78Å; N183-L186 HydrophobicContact CB-CG 3.85Å; N183-L186 PolarHBondContact O-N 2.74Å; L186-N188 PolarHBondContact O-N 3.39Å; L186-N188 VanDerWaalsContact O-N 3.13Å
187	G	84.2	Confident	84.8	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	68.6	13.8	170.5	0	0	0	0	0	115.3	L158 Y189 A190	L158-G187 PolarHBondContact O-N 3.15Å; G187-Y189 PolarHBondContact O-N 3.45Å; G187-A190 VanDerWaalsContact O-CB 3.31Å; G187-A190 WeakPolarHBondContact O-CB 3.03Å; G187-A190 PolarHBondContact O-N 2.87Å; G187-A190 VanDerWaalsContact O-N 3.15Å
188	N	88.8	Confident	85.3	Confident	55 Å²	55	66.8 Å²	66.8	29%	0.294	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	134.6	178.8	-80.7	-44.7	0	0	0	111.7	R184 N185 L186 A190	R184-N188 PolarHBondContact O-ND2 2.86Å; N185-N188 WeakPolarHBondContact CA-ND2 3.34Å; N185-N188 PolarHBondContact O-ND2 3.42Å; L186-N188 PolarHBondContact O-N 3.39Å; L186-N188 VanDerWaalsContact O-N 3.13Å; N188-A190 PolarHBondContact O-N 3.29Å
189	Y	93.6	Very high	85.8	Confident	168 Å²	168	71.2 Å²	71.2	66%	0.659	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	2.3	-179.4	-46.1	-76.3	0	0	0	116.5	G187	G187-Y189 PolarHBondContact O-N 3.45Å
190	A	96.3	Very high	86.5	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.008	37%	0.367	C	S	.	.			trans	-68	135.2	174	0	0	0	0	0	111	L160 G187 N188 K202 L203	L160-A190 HydrophobicContact CB-CB 3.97Å; G187-A190 VanDerWaalsContact O-CB 3.31Å; G187-A190 WeakPolarHBondContact O-CB 3.03Å; G187-A190 PolarHBondContact O-N 2.87Å; G187-A190 VanDerWaalsContact O-N 3.15Å; N188-A190 PolarHBondContact O-N 3.29Å; A190-K202 CarbonylContact O-C 3.54Å; A190-K202 VanDerWaalsContact O-CA 3.32Å; A190-K202 WeakPolarHBondContact O-CA 3.35Å; A190-L203 HydrophobicContact CB-CB 4.45Å; A190-L203 HydrophobicContact CB-CD1 3.49Å; A190-L203 VanDerWaalsContact CB-CD1 3.49Å; A190-L203 HydrophobicContact CB-CG 4.02Å; A190-L203 PolarHBondContact O-N 2.91Å
191	K	97.2	Very high	87.6	Confident	95 Å²	95	74.5 Å²	74.5	41%	0.413	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-134.7	149.7	-175	-64.1	173.8	-173.2	175.9	0	110.6	W165 K201 K202	W165-K191 VanDerWaalsContact CD1-O 3.31Å; K191-K201 CarbonylContact C-O 3.43Å; K191-K201 WeakPolarHBondContact CA-O 3.42Å; K191-K202 HydrophobicContact CG-CG 4.17Å
192	C	97.3	Very high	89.1	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.007	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.7	170.8	-55.1	0	0	0	0	111.2	C167 M198 N200 K201 L206	C167-C192 HydrophobicContact CB-CB 3.78Å; C167-C192 WeakPolarHBondContact CB-SG 3.38Å; C167-C192 WeakPolarHBondContact SG-CA 2.96Å; C167-C192 WeakPolarHBondContact SG-CB 3.44Å; C167-C192 CovalentContact SG-SG 2.01Å; C167-C192 PolarHBondContact SG-SG 3.2Å; C192-M198 HydrophobicContact CB-CB 4.16Å; C192-M198 WeakPolarHBondContact CB-O 3.42Å; C192-N200 PolarHBondContact O-N 3.5Å; C192-K201 PolarHBondContact N-O 2.87Å; C192-L206 VanDerWaalsContact SG-CD1 3.54Å
193	E	97.7	Very high	90.4	Very high	86 Å²	86	65.7 Å²	65.7	40%	0.402	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-31	166.8	-177.9	55.8	-146.4	0	0	111.1	P164 W165 K199	P164-E193 HydrophobicContact CB-CB 4.34Å; P164-E193 HydrophobicContact CB-CG 4.34Å; W165-E193 PolarHBondContact O-N 2.98Å; E193-K199 WeakPolarHBondContact OE1-CE 3.49Å; E193-K199 IonicContact OE1-NZ 2.91Å; E193-K199 PolarHBondContact OE1-NZ 2.89Å; E193-K199 IonicContact OE2-NZ 3.23Å
194	S	94.2	Very high	91.2	Very high	35 Å²	35	68 Å²	68	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.8	179.5	56.3	0	0	0	0	110.8	W165 H166 C167	W165-S194 PolarHBondContact O-N 3.15Å; W165-S194 VanDerWaalsContact O-N 3.14Å; H166-S194 CarbonylContact C-O 3.21Å; H166-S194 WeakPolarHBondContact CA-O 3.39Å; H166-S194 WeakPolarHBondContact CA-OG 3.09Å; H166-S194 PolarHBondContact ND1-OG 3.13Å; C167-S194 PolarHBondContact N-O 3.29Å
195	P	94.4	Very high	92.1	Very high	41 Å²	41	65.2 Å²	65.2	27%	0.266	34%	0.336	S	S	.	.	S	Bend	cis	-66.1	167.1	-7.3	30	-36	0	0	0	112.6	C167 A197 M198 K199	C167-P195 VanDerWaalsContact O-CD 3.22Å; C167-P195 WeakPolarHBondContact O-CD 3.36Å; P195-A197 PolarHBondContact O-N 3.18Å; P195-A197 VanDerWaalsContact O-N 3.1Å; P195-M198 HydrophobicContact CG-CB 4.34Å; P195-M198 HydrophobicContact CG-CG 4.09Å; P195-M198 PolarHBondContact O-N 3Å; P195-K199 PolarHBondContact O-N 3.46Å
196	P	92.8	Very high	92.7	Very high	118 Å²	118	60.8 Å²	60.8	77%	0.766	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-53.2	-33.9	-177	-28.3	35.5	0	0	0	114.6	M198 K199	P196-M198 VanDerWaalsContact C-N 3.27Å; P196-M198 PolarHBondContact O-N 3.48Å; P196-K199 WeakPolarHBondContact O-CB 3.37Å; P196-K199 PolarHBondContact O-N 2.92Å
197	A	91.7	Very high	92.5	Very high	87 Å²	87	66.6 Å²	66.6	72%	0.719	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-64.5	-28.9	177.2	0	0	0	0	0	113.7	P195	P195-A197 PolarHBondContact O-N 3.18Å; P195-A197 VanDerWaalsContact O-N 3.1Å
198	M	92.9	Very high	92.3	Very high	28 Å²	28	67.5 Å²	67.5	14%	0.138	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-99.7	-5	-179.8	-63.1	-58.1	-172.3	0	0	112.7	C167 C192 P195 P196 N200 K201 L206 E210	C167-M198 HydrophobicContact CB-CB 4.28Å; C192-M198 HydrophobicContact CB-CB 4.16Å; C192-M198 WeakPolarHBondContact CB-O 3.42Å; P195-M198 HydrophobicContact CG-CB 4.34Å; P195-M198 HydrophobicContact CG-CG 4.09Å; P195-M198 PolarHBondContact O-N 3Å; P196-M198 VanDerWaalsContact C-N 3.27Å; P196-M198 PolarHBondContact O-N 3.48Å; M198-N200 PolarHBondContact O-N 3.16Å; M198-K201 VanDerWaalsContact O-CB 3.28Å; M198-K201 WeakPolarHBondContact O-CB 3.33Å; M198-K201 WeakPolarHBondContact O-CG 3.44Å; M198-K201 PolarHBondContact O-N 3.27Å; M198-K201 HydrophobicContact SD-CD 3.72Å; M198-K201 PolarHBondContact SD-NZ 2.88Å; M198-L206 HydrophobicContact SD-CD2 4.5Å; M198-E210 HydrophobicContact CE-CB 3.99Å; M198-E210 WeakPolarHBondContact CE-O 3.31Å
199	K	95.6	Very high	91.7	Very high	96 Å²	96	70.5 Å²	70.5	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136.1	-173.7	-174.3	167.3	177.8	148.2	0	111.6	E193 P195 P196 K201	E193-K199 WeakPolarHBondContact OE1-CE 3.49Å; E193-K199 IonicContact OE1-NZ 2.91Å; E193-K199 PolarHBondContact OE1-NZ 2.89Å; E193-K199 IonicContact OE2-NZ 3.23Å; P195-K199 PolarHBondContact O-N 3.46Å; P196-K199 WeakPolarHBondContact O-CB 3.37Å; P196-K199 PolarHBondContact O-N 2.92Å; K199-K201 PolarHBondContact O-N 3.1Å
200	N	95.4	Very high	91.1	Very high	104 Å²	104	66.3 Å²	66.3	56%	0.556	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	-2.2	-176.3	-60	-53.7	0	0	0	116.9	C192 M198	C192-N200 PolarHBondContact O-N 3.5Å; M198-N200 PolarHBondContact O-N 3.16Å
201	K	94.9	Very high	90.5	Very high	81 Å²	81	66.9 Å²	66.9	35%	0.352	35%	0.345	S	S	.	.			trans	-66.4	137	169.8	-68.4	-168.5	176.1	177.8	0	109.9	K191 C192 M198 K199 L206 E210	K191-K201 CarbonylContact C-O 3.43Å; K191-K201 WeakPolarHBondContact CA-O 3.42Å; C192-K201 PolarHBondContact N-O 2.87Å; M198-K201 VanDerWaalsContact O-CB 3.28Å; M198-K201 WeakPolarHBondContact O-CB 3.33Å; M198-K201 WeakPolarHBondContact O-CG 3.44Å; M198-K201 PolarHBondContact O-N 3.27Å; M198-K201 HydrophobicContact SD-CD 3.72Å; M198-K201 PolarHBondContact SD-NZ 2.88Å; K199-K201 PolarHBondContact O-N 3.1Å; K201-L206 HydrophobicContact CB-CD2 3.67Å; K201-L206 HydrophobicContact CD-CD2 3.57Å; K201-L206 HydrophobicContact CG-CD2 4.29Å; K201-E210 IonicContact NZ-OE2 2.83Å; K201-E210 PolarHBondContact NZ-OE2 3.11Å
202	K	94.9	Very high	89.4	Confident	84 Å²	84	62.5 Å²	62.5	37%	0.365	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-76.3	134.8	178.2	-64.2	-178.4	-173.1	171.6	0	109.9	A190 K191 L204 Q205 L206	A190-K202 CarbonylContact O-C 3.54Å; A190-K202 VanDerWaalsContact O-CA 3.32Å; A190-K202 WeakPolarHBondContact O-CA 3.35Å; K191-K202 HydrophobicContact CG-CG 4.17Å; K202-L204 VanDerWaalsContact C-N 3.27Å; K202-L204 PolarHBondContact O-N 3.4Å; K202-Q205 HydrophobicContact CB-CB 4.28Å; K202-Q205 HydrophobicContact CB-CG 4.13Å; K202-Q205 HydrophobicContact CD-CG 4.48Å; K202-Q205 PolarHBondContact O-N 3.4Å; K202-L206 PolarHBondContact O-N 3.17Å
203	L	93.2	Very high	88	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-53.5	-44.4	178.9	-67	179.6	0	0	0	112.2	W165 C167 L171 V175 L178 A190 Q205 L206	W165-L203 HydrophobicContact CD2-CD1 4.15Å; W165-L203 HydrophobicContact CG-CD1 4.11Å; C167-L203 VanDerWaalsContact SG-CD2 3.53Å; L171-L203 HydrophobicContact CD2-CD2 3.51Å; V175-L203 HydrophobicContact CG2-CB 4.43Å; V175-L203 HydrophobicContact CG2-CD2 4.11Å; L178-L203 HydrophobicContact CD1-CB 4.17Å; L178-L203 HydrophobicContact CD1-CD1 4.24Å; A190-L203 HydrophobicContact CB-CB 4.45Å; A190-L203 HydrophobicContact CB-CD1 3.49Å; A190-L203 VanDerWaalsContact CB-CD1 3.49Å; A190-L203 HydrophobicContact CB-CG 4.02Å; A190-L203 PolarHBondContact O-N 2.91Å; L203-Q205 PolarHBondContact O-N 3.48Å; L203-Q205 VanDerWaalsContact O-N 3.08Å; L203-L206 HydrophobicContact CD2-CD1 3.93Å; L203-L206 PolarHBondContact O-N 3.44Å
204	L	89.2	Confident	86	Confident	53 Å²	53	70 Å²	70	28%	0.277	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.3	-13.1	178.5	-75.1	166.9	0	0	0	115.1	L178 K202	L178-L204 HydrophobicContact CB-CD2 3.76Å; L178-L204 WeakPolarHBondContact O-CD2 3.35Å; K202-L204 VanDerWaalsContact C-N 3.27Å; K202-L204 PolarHBondContact O-N 3.4Å
205	Q	88.8	Confident	84.2	Confident	137 Å²	137	76 Å²	76	64%	0.64	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-111.5	-2.1	-177.5	-64	-177.7	-30.8	0	0	112.8	K202 L203	K202-Q205 HydrophobicContact CB-CB 4.28Å; K202-Q205 HydrophobicContact CB-CG 4.13Å; K202-Q205 HydrophobicContact CD-CG 4.48Å; K202-Q205 PolarHBondContact O-N 3.4Å; L203-Q205 PolarHBondContact O-N 3.48Å; L203-Q205 VanDerWaalsContact O-N 3.08Å
206	L	87.2	Confident	82.3	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.016	40%	0.397	C	S	.	.			trans	-74.6	147.2	177	-65.9	171.9	0	0	0	110.1	C167 V175 Q179 C192 M198 K201 K202 L203 L211	C167-L206 HydrophobicContact CB-CD1 4.4Å; V175-L206 HydrophobicContact CG1-CB 4.09Å; V175-L206 HydrophobicContact CG2-CD1 4.32Å; Q179-L206 PolarHBondContact NE2-O 3Å; C192-L206 VanDerWaalsContact SG-CD1 3.54Å; M198-L206 HydrophobicContact SD-CD2 4.5Å; K201-L206 HydrophobicContact CB-CD2 3.67Å; K201-L206 HydrophobicContact CD-CD2 3.57Å; K201-L206 HydrophobicContact CG-CD2 4.29Å; K202-L206 PolarHBondContact O-N 3.17Å; L203-L206 HydrophobicContact CD2-CD1 3.93Å; L203-L206 PolarHBondContact O-N 3.44Å; L206-L211 HydrophobicContact CD1-CD1 4.49Å; L206-L211 HydrophobicContact CD1-CD2 4.23Å
207	K	82.7	Confident	80.4	Confident	126 Å²	126	76.5 Å²	76.5	55%	0.548	37%	0.374	S	S	.	.			trans	-87.6	134.7	166.3	-69.3	-176.4	-177.4	177.5	0	108.7	E209 E210	K207-E209 WeakPolarHBondContact CB-OE2 3.41Å; K207-E209 PolarHBondContact O-N 3.1Å; K207-E210 HydrophobicContact CB-CB 4.35Å; K207-E210 HydrophobicContact CB-CG 3.99Å; K207-E210 WeakPolarHBondContact O-CB 3.47Å; K207-E210 PolarHBondContact O-N 3.15Å
208	P	78.6	Confident	78.2	Confident	19 Å²	19	80.2 Å²	80.2	12%	0.123	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-52.8	-35.8	175.6	-27.9	36.6	0	0	0	112.6	E172 E210 L211 C212	E172-P208 HydrophobicContact CG-CB 4.01Å; P208-E210 PolarHBondContact O-N 3.5Å; P208-L211 WeakPolarHBondContact O-CB 3.5Å; P208-L211 PolarHBondContact O-N 3.34Å; P208-C212 PolarHBondContact O-N 2.9Å
209	E	76.8	Confident	76.2	Confident	118 Å²	118	86.5 Å²	86.5	55%	0.551	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-71.3	-15.1	178.8	-48.4	79	-168.2	0	0	113.1	K207 L211	K207-E209 WeakPolarHBondContact CB-OE2 3.41Å; K207-E209 PolarHBondContact O-N 3.1Å; E209-L211 VanDerWaalsContact C-N 3.3Å
210	E	82.1	Confident	73.9	Confident	80 Å²	80	85.9 Å²	85.9	37%	0.374	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-81.9	-10.3	171.8	-75.5	177.7	-145.1	0	0	112.3	M198 K201 K207 P208	M198-E210 HydrophobicContact CE-CB 3.99Å; M198-E210 WeakPolarHBondContact CE-O 3.31Å; K201-E210 IonicContact NZ-OE2 2.83Å; K201-E210 PolarHBondContact NZ-OE2 3.11Å; K207-E210 HydrophobicContact CB-CB 4.35Å; K207-E210 HydrophobicContact CB-CG 3.99Å; K207-E210 WeakPolarHBondContact O-CB 3.47Å; K207-E210 PolarHBondContact O-N 3.15Å; P208-E210 PolarHBondContact O-N 3.5Å
211	L	82.1	Confident	71.3	Confident	12 Å²	12	87.3 Å²	87.3	6%	0.063	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-32.8	-177	-66.1	167	0	0	0	113.2	C167 M168 C169 V175 L206 P208 E209	C167-L211 HydrophobicContact CB-CD2 3.74Å; M168-L211 CarbonylContact C-O 3.46Å; C169-L211 VanDerWaalsContact CA-O 3.28Å; C169-L211 WeakPolarHBondContact CA-O 3.38Å; C169-L211 PolarHBondContact N-O 3.18Å; V175-L211 HydrophobicContact CB-CD1 3.96Å; V175-L211 HydrophobicContact CG1-CD1 4.15Å; V175-L211 HydrophobicContact CG2-CD1 3.77Å; L206-L211 HydrophobicContact CD1-CD1 4.49Å; L206-L211 HydrophobicContact CD1-CD2 4.23Å; P208-L211 WeakPolarHBondContact O-CB 3.5Å; P208-L211 PolarHBondContact O-N 3.34Å; E209-L211 VanDerWaalsContact C-N 3.3Å
212	C	75.4	Confident	68.6	Low	4 Å²	4	88.8 Å²	88.8	3%	0.027	43%	0.432	C	S	.	.			trans	-132.8	133.2	179.3	-58.7	0	0	0	0	110.1	C169 E172 P208 R217	C169-C212 WeakPolarHBondContact CA-SG 3.49Å; C169-C212 HydrophobicContact CB-CB 3.83Å; C169-C212 WeakPolarHBondContact CB-SG 3.49Å; C169-C212 PolarHBondContact O-SG 3.02Å; C169-C212 VanDerWaalsContact O-SG 3.41Å; C169-C212 WeakPolarHBondContact SG-CB 3.2Å; C169-C212 CovalentContact SG-SG 2.02Å; C169-C212 PolarHBondContact SG-SG 2.88Å; E172-C212 PolarHBondContact OE2-SG 3.12Å; P208-C212 PolarHBondContact O-N 2.9Å; C212-R217 HydrophobicContact CB-CG 4.16Å
213	D	67.4	Low	65.8	Low	111 Å²	111	93.8 Å²	93.8	59%	0.594	45%	0.454	S	S	*	.			trans	-85.3	150.8	160.8	-69.9	-41.2	0	0	0	110.1	E215 E216 R217	D213-E215 PolarHBondContact O-N 2.93Å; D213-E215 VanDerWaalsContact O-N 3.1Å; D213-E216 PolarHBondContact O-N 2.97Å; D213-R217 PolarHBondContact O-N 2.76Å
214	E	56.3	Low	63.2	Low	134 Å²	134	99.4 Å²	99.4	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-55.7	-29.8	-176.1	-68.2	-72.3	166.9	0	0	113.4	R217	E214-R217 IonicContact OE1-CZ 2.76Å; E214-R217 IonicContact OE1-NH1 3.92Å; E214-R217 PolarHBondContact OE1-NH1 2.94Å; E214-R217 IonicContact OE2-CZ 2.96Å; E214-R217 IonicContact OE2-NH1 2.79Å; E214-R217 PolarHBondContact OE2-NH1 2.75Å
215	E	55	Low	60.7	Low	159 Å²	159	106.1 Å²	106.1	74%	0.743	52%	0.52	S	S	*	.	H	α-helix	trans	-75.2	-25.5	177.9	-65	-177.6	177	0	0	113.5	D213	D213-E215 PolarHBondContact O-N 2.93Å; D213-E215 VanDerWaalsContact O-N 3.1Å
216	E	54.5	Low	58.3	Low	96 Å²	96	105.8 Å²	105.8	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-82.5	-24.8	178.5	-67.7	-171.2	156.6	0	0	112.1	D213 E218 Q219 L220	D213-E216 PolarHBondContact O-N 2.97Å; E216-E218 VanDerWaalsContact C-N 3.3Å; E216-E218 PolarHBondContact O-N 3.41Å; E216-Q219 PolarHBondContact O-N 3.39Å; E216-L220 PolarHBondContact O-N 2.84Å
217	R	52.8	Low	55.8	Low	74 Å²	74	111.3 Å²	111.3	28%	0.279	57%	0.567	S	S	.	*	H	α-helix	trans	-59.3	-39.3	174.4	-71.4	-177	173.6	155.1	1.4	112.2	E172 C212 D213 E214 Q219	E172-R217 IonicContact OE1-CZ 3.68Å; E172-R217 IonicContact OE1-NE 3.79Å; E172-R217 PolarHBondContact OE1-NE 3.15Å; E172-R217 IonicContact OE1-NH2 3.99Å; E172-R217 PolarHBondContact OE1-NH2 3.38Å; E172-R217 IonicContact OE2-NE 3.04Å; C212-R217 HydrophobicContact CB-CG 4.16Å; D213-R217 PolarHBondContact O-N 2.76Å; E214-R217 IonicContact OE1-CZ 2.76Å; E214-R217 IonicContact OE1-NH1 3.92Å; E214-R217 PolarHBondContact OE1-NH1 2.94Å; E214-R217 IonicContact OE2-CZ 2.96Å; E214-R217 IonicContact OE2-NH1 2.79Å; E214-R217 PolarHBondContact OE2-NH1 2.75Å; R217-Q219 VanDerWaalsContact C-N 3.28Å; R217-Q219 PolarHBondContact O-N 3.41Å
218	E	47.2	Very low	53.7	Low	165 Å²	165	108.9 Å²	108.9	77%	0.771	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-19	179.1	-67.5	-170.8	164.4	0	0	113.9	E216	E216-E218 VanDerWaalsContact C-N 3.3Å; E216-E218 PolarHBondContact O-N 3.41Å
219	Q	50.4	Low	51.3	Low	160 Å²	160	119.3 Å²	119.3	75%	0.748	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-22.9	-178.3	-65.5	-178.2	28.2	0	0	113.4	E216 R217 D221	E216-Q219 PolarHBondContact O-N 3.39Å; R217-Q219 VanDerWaalsContact C-N 3.28Å; R217-Q219 PolarHBondContact O-N 3.41Å; Q219-D221 VanDerWaalsContact C-N 3.33Å
220	L	47.1	Very low	49.2	Very low	83 Å²	83	118.9 Å²	118.9	44%	0.435	62%	0.621	S	S	.	*	S	Bend	trans	-81.9	-8.8	178.9	-81.9	154.4	0	0	0	113.9	C169 E170 E216 P222	C169-L220 HydrophobicContact CB-CD1 3.71Å; C169-L220 WeakPolarHBondContact SG-CD1 3.29Å; E170-L220 HydrophobicContact CG-CD2 4.18Å; E216-L220 PolarHBondContact O-N 2.84Å; L220-P222 WeakPolarHBondContact O-CD 3.44Å
221	D	40.4	Very low	46.9	Very low	134 Å²	134	121.1 Å²	121.1	72%	0.717	64%	0.643	S	S	*	*	S	Bend	trans	-89.6	92.4	167.8	-82.6	-30.4	0	0	0	110.4	Q219 K223	Q219-D221 VanDerWaalsContact C-N 3.33Å; D221-K223 PolarHBondContact O-N 2.83Å; D221-K223 VanDerWaalsContact O-N 3.09Å
222	P	39.2	Very low	44.7	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	68%	0.675	S	S	*	*			trans	-64.4	117.6	172.5	24.9	-32.4	0	0	0	109.7	L220	L220-P222 WeakPolarHBondContact O-CD 3.44Å
223	K	36	Very low	42.9	Very low	188 Å²	188	134 Å²	134	82%	0.817	71%	0.714	S	S	*	*			trans	-46.4	126.9	162.6	-74.3	176.3	179.8	171.9	0	108.8	D221 Q225	D221-K223 PolarHBondContact O-N 2.83Å; D221-K223 VanDerWaalsContact O-N 3.09Å; K223-Q225 PolarHBondContact O-N 2.95Å
224	P	37.2	Very low	41.2	Very low	118 Å²	118	139 Å²	139	77%	0.766	72%	0.724	S	S	*	*			trans	-64.6	107.3	-178.7	22.7	-30.9	0	0	0	110.1	V226	P224-V226 PolarHBondContact O-N 3.07Å; P224-V226 VanDerWaalsContact O-N 3.13Å
225	Q	37	Very low	40.2	Very low	194 Å²	194	138.6 Å²	138.6	91%	0.907	73%	0.734	S	S	*	*			trans	-76.1	96.3	165.5	-72.1	-155.2	-7.1	0	0	109	K223 S227	K223-Q225 PolarHBondContact O-N 2.95Å; Q225-S227 PolarHBondContact O-N 2.79Å
226	V	38.2	Very low	39.4	Very low	130 Å²	130	140.1 Å²	140.1	79%	0.788	74%	0.741	S	S	*	*			trans	-76	117.1	174.8	178.4	0	0	0	0	109.1	P224	P224-V226 PolarHBondContact O-N 3.07Å; P224-V226 VanDerWaalsContact O-N 3.13Å
227	S	36.3	Very low	38.7	Very low	120 Å²	120	139.5 Å²	139.5	84%	0.839	75%	0.752	S	S	*	*			trans	-113.6	107.4	159.4	52.8	0	0	0	0	110.2	Q225	Q225-S227 PolarHBondContact O-N 2.79Å
228	G	36.9	Very low	38.3	Very low	74 Å²	74	139.4 Å²	139.4	76%	0.763	76%	0.757	S	S	*	*			trans	71.3	86.5	146	0	0	0	0	0	120.3
229	R	29.9	Very low	38.3	Very low	238 Å²	238	133.4 Å²	133.4	90%	0.898	73%	0.734	S	S	*	*			trans	-148.5	148.7	139.6	-115.2	-172.3	173.4	174.1	-2.2	110.1
230	P	31.6	Very low	38.5	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	74%	0.738	S	S	*	*			trans	-71	157.3	-164.9	29.6	-32.1	0	0	0	112.6	V232	P230-V232 PolarHBondContact O-N 3.3Å
231	P	33.7	Very low	39.1	Very low	127 Å²	127	132.5 Å²	132.5	83%	0.825	74%	0.739	S	S	*	*			trans	-75.8	115.1	-162.6	30.3	-32.4	0	0	0	110.7
232	V	35.7	Very low	40.5	Very low	124 Å²	124	127 Å²	127	75%	0.752	71%	0.71	S	S	*	*			trans	-77.5	121.9	152.1	179.1	0	0	0	0	105.4	P230 R234	P230-V232 PolarHBondContact O-N 3.3Å; V232-R234 PolarHBondContact O-N 3.47Å
233	I	38.5	Very low	42.1	Very low	162 Å²	162	125.6 Å²	125.6	83%	0.831	69%	0.694	S	S	*	*			trans	-57.3	110	174.9	-61.1	167.5	0	0	0	107.2
234	R	31.2	Very low	43.9	Very low	216 Å²	216	119.8 Å²	119.8	82%	0.815	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-101.3	128.5	172.6	-68	-178.6	-179.1	-170.7	-1.6	107.9	V232	V232-R234 PolarHBondContact O-N 3.47Å
235	P	36.5	Very low	44.9	Very low	127 Å²	127	118.9 Å²	118.9	83%	0.825	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-71.2	148.9	157.2	-9.1	26.2	0	0	0	110
236	E	36.7	Very low	45.8	Very low	190 Å²	190	112 Å²	112	89%	0.888	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-79.9	142.7	-168.3	-65.8	165.4	146.7	0	0	114.2
237	A	40.4	Very low	46	Very low	83 Å²	83	108.6 Å²	108.6	69%	0.686	60%	0.6	S	S	*	*			trans	66.1	129.1	153.3	0	0	0	0	0	121.8
238	D	45	Very low	46.1	Very low	72 Å²	72	105.2 Å²	105.2	39%	0.385	58%	0.575	S	S	.	*				166	0.9	100.3	-105.6	-12.3	0	0	0	115.4
239	S	47	Very low	47.3	Very low	40 Å²	40	105 Å²	105	28%	0.28	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-6.9	179.5	-45.8	0	0	0	0	114.7	L241 N265	S239-L241 VanDerWaalsContact C-N 3.35Å; S239-N265 WeakPolarHBondContact OG-CB 3.39Å; S239-N265 PolarHBondContact OG-ND2 3.01Å
240	T	53.4	Low	49.5	Very low	138 Å²	138	95.5 Å²	95.5	85%	0.847	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.7	-177.4	42.4	0	0	0	0	114.3
241	L	59.6	Low	51.8	Low	85 Å²	85	91.1 Å²	91.1	45%	0.445	49%	0.493	S	S	.	.	S	Bend	trans	-98.2	-16.4	179.2	-71.1	166.2	0	0	0	113.5	S239 K257	S239-L241 VanDerWaalsContact C-N 3.35Å; L241-K257 HydrophobicContact CB-CD 4.49Å; L241-K257 VanDerWaalsContact O-CD 3.31Å; L241-K257 WeakPolarHBondContact O-CD 3.46Å; L241-K257 WeakPolarHBondContact O-CE 3.44Å; L241-K257 PolarHBondContact O-NZ 2.94Å
242	C	71.4	Confident	54.4	Low	18 Å²	18	85.7 Å²	85.7	12%	0.122	46%	0.457	C	S	.	.	S	Bend	trans	-90.8	141.2	-179.2	-55	0	0	0	0	110.8	L252 D253 C254	C242-L252 HydrophobicContact CB-CD1 3.77Å; C242-L252 HydrophobicContact CB-CG 4.2Å; C242-D253 CarbonylContact C-O 3.54Å; C242-D253 VanDerWaalsContact CA-O 3.27Å; C242-D253 WeakPolarHBondContact CA-O 3.48Å; C242-D253 WeakPolarHBondContact CB-O 3.27Å; C242-C254 HydrophobicContact CB-CB 3.95Å; C242-C254 WeakPolarHBondContact CB-SG 3.31Å; C242-C254 VanDerWaalsContact SG-CA 3.53Å; C242-C254 WeakPolarHBondContact SG-CB 3.24Å; C242-C254 CovalentContact SG-SG 2.02Å; C242-C254 PolarHBondContact SG-SG 3.49Å
243	H	72.3	Confident	56.7	Low	84 Å²	84	81.6 Å²	81.6	39%	0.389	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.1	175	-170.4	92.4	0	0	0	109.7	Y245 D253	H243-Y245 HydrophobicContact CB-CE2 4.18Å; H243-Y245 AromaticContact CD2-CD1 3.34Å; H243-Y245 WeakPolarHBondContact CD2-CD1 3.22Å; H243-Y245 AromaticContact CD2-CD2 3.51Å; H243-Y245 AromaticContact CD2-CE1 3.13Å; H243-Y245 WeakPolarHBondContact CD2-CE1 3.43Å; H243-Y245 AromaticContact CD2-CE2 3.31Å; H243-Y245 WeakPolarHBondContact CD2-CE2 3.5Å; H243-Y245 AromaticContact CD2-CG 3.51Å; H243-Y245 AromaticContact CD2-CZ 3.09Å; H243-Y245 AromaticContact CG-CE2 3.99Å; H243-Y245 AromaticContact CG-CZ 3.77Å; H243-Y245 AromaticContact NE2-CD1 3.33Å; H243-Y245 VanDerWaalsContact NE2-CD1 3.33Å; H243-Y245 WeakPolarHBondContact NE2-CD1 3.44Å; H243-Y245 AromaticContact NE2-CE1 3.13Å; H243-Y245 WeakPolarHBondContact NE2-CE1 3.37Å; H243-Y245 AromaticContact NE2-CG 3.94Å; H243-Y245 AromaticContact NE2-CZ 3.6Å; H243-D253 PolarHBondContact N-O 3.4Å; H243-D253 PolarHBondContact O-N 3.31Å
244	N	73.4	Confident	59.1	Low	66 Å²	66	73.9 Å²	73.9	35%	0.353	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	99.9	178.1	-174.1	1.2	0	0	0	110.1	V246 T251 L252	N244-V246 PolarHBondContact O-N 3.28Å; N244-T251 CarbonylContact C-O 3.48Å; N244-L252 HydrophobicContact CB-CD1 4.07Å
245	Y	58.7	Low	61.7	Low	99 Å²	99	67.8 Å²	67.8	39%	0.388	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	104.9	173.5	-61.8	-77.1	0	0	0	109.7	H243 F247 Q250 T251 D253	H243-Y245 HydrophobicContact CB-CE2 4.18Å; H243-Y245 AromaticContact CD2-CD1 3.34Å; H243-Y245 WeakPolarHBondContact CD2-CD1 3.22Å; H243-Y245 AromaticContact CD2-CD2 3.51Å; H243-Y245 AromaticContact CD2-CE1 3.13Å; H243-Y245 WeakPolarHBondContact CD2-CE1 3.43Å; H243-Y245 AromaticContact CD2-CE2 3.31Å; H243-Y245 WeakPolarHBondContact CD2-CE2 3.5Å; H243-Y245 AromaticContact CD2-CG 3.51Å; H243-Y245 AromaticContact CD2-CZ 3.09Å; H243-Y245 AromaticContact CG-CE2 3.99Å; H243-Y245 AromaticContact CG-CZ 3.77Å; H243-Y245 AromaticContact NE2-CD1 3.33Å; H243-Y245 VanDerWaalsContact NE2-CD1 3.33Å; H243-Y245 WeakPolarHBondContact NE2-CD1 3.44Å; H243-Y245 AromaticContact NE2-CE1 3.13Å; H243-Y245 WeakPolarHBondContact NE2-CE1 3.37Å; H243-Y245 AromaticContact NE2-CG 3.94Å; H243-Y245 AromaticContact NE2-CZ 3.6Å; Y245-F247 PolarHBondContact O-N 2.77Å; Y245-Q250 CarbonylContact O-C 3.45Å; Y245-Q250 WeakPolarHBondContact O-CA 3.37Å; Y245-T251 HydrophobicContact CD2-CG2 4.48Å; Y245-T251 PolarHBondContact N-O 3.21Å; Y245-T251 PolarHBondContact O-N 3Å; Y245-D253 HydrophobicContact CD2-CB 3.85Å; Y245-D253 HydrophobicContact CE2-CB 3.53Å
246	V	56.1	Low	64.1	Low	49 Å²	49	65.3 Å²	65.3	30%	0.297	36%	0.356	S	S	.	.			trans	-78.9	-11.1	179.5	-169.3	0	0	0	0	112.4	I150 N244	I150-V246 HydrophobicContact CG1-CB 4.38Å; I150-V246 HydrophobicContact CG2-CB 4.4Å; I150-V246 HydrophobicContact CG2-CG1 4Å; I150-V246 HydrophobicContact CG2-CG2 4.41Å; N244-V246 PolarHBondContact O-N 3.28Å
247	F	41.4	Very low	66.4	Low	60 Å²	60	60.3 Å²	60.3	26%	0.263	33%	0.331	S	S	.	.	S	Bend	trans	-136.3	144.8	-176.1	-171.9	-84.7	0	0	0	111.6	M177 I180 N183 Y245 I249	M177-F247 HydrophobicContact CG-CD1 4.17Å; I180-F247 HydrophobicContact CD1-CD1 3.58Å; I180-F247 HydrophobicContact CD1-CE1 3.72Å; I180-F247 HydrophobicContact CG2-CE1 4.42Å; N183-F247 WeakPolarHBondContact ND2-CE1 3.45Å; N183-F247 VanDerWaalsContact ND2-CZ 3.35Å; N183-F247 WeakPolarHBondContact ND2-CZ 3.43Å; N183-F247 WeakPolarHBondContact OD1-CE1 3.49Å; N183-F247 WeakPolarHBondContact OD1-CZ 3.41Å; Y245-F247 PolarHBondContact O-N 2.77Å; F247-I249 VanDerWaalsContact C-N 3.33Å
248	P	39.7	Very low	68.7	Low	49 Å²	49	62.4 Å²	62.4	32%	0.318	33%	0.327	S	S	.	.	S	Bend	cis	-80.6	-8.3	-2.6	33.6	-35	0	0	0	113.9	I180 R182	I180-P248 HydrophobicContact CG2-CG 4.24Å; R182-P248 PolarHBondContact NH1-O 2.79Å
249	I	60.9	Low	70.8	Confident	70 Å²	70	59.2 Å²	59.2	36%	0.359	31%	0.31	S	S	.	.	S	Bend	trans	-140.6	131.6	179.2	-64	174.9	0	0	0	104.7	F247 T251 V271	F247-I249 VanDerWaalsContact C-N 3.33Å; I249-T251 PolarHBondContact O-N 3.24Å; I249-T251 PolarHBondContact O-OG1 2.98Å; I249-V271 HydrophobicContact CG2-CB 3.46Å; I249-V271 VanDerWaalsContact CG2-CB 3.46Å; I249-V271 HydrophobicContact CG2-CG1 3.44Å; I249-V271 VanDerWaalsContact CG2-CG1 3.44Å; I249-V271 HydrophobicContact CG2-CG2 4.33Å
250	Q	76.9	Confident	72.9	Confident	38 Å²	38	64.8 Å²	64.8	18%	0.178	33%	0.329	C	S	.	.			trans	-59.7	107.8	-179.9	-163.3	161.5	9.2	0	0	109.8	Y245 D269 I270 V271 K272	Y245-Q250 CarbonylContact O-C 3.45Å; Y245-Q250 WeakPolarHBondContact O-CA 3.37Å; Q250-D269 PolarHBondContact NE2-OD1 2.67Å; Q250-D269 VanDerWaalsContact NE2-OD1 3.09Å; Q250-D269 PolarHBondContact NE2-OD2 2.77Å; Q250-D269 PolarHBondContact OE1-O 2.73Å; Q250-D269 PolarHBondContact OE1-OD2 3.34Å; Q250-D269 VanDerWaalsContact OE1-OD2 3.12Å; Q250-I270 HydrophobicContact CG-CG2 4.27Å; Q250-V271 PolarHBondContact O-N 3.35Å; Q250-K272 PolarHBondContact O-N 3.27Å
251	T	79.7	Confident	74.7	Confident	17 Å²	17	63.4 Å²	63.4	10%	0.104	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.4	-169.7	-56	0	0	0	0	109	N244 Y245 I249 K272	N244-T251 CarbonylContact C-O 3.48Å; Y245-T251 HydrophobicContact CD2-CG2 4.48Å; Y245-T251 PolarHBondContact N-O 3.21Å; Y245-T251 PolarHBondContact O-N 3Å; I249-T251 PolarHBondContact O-N 3.24Å; I249-T251 PolarHBondContact O-OG1 2.98Å; T251-K272 CarbonylContact C-O 3.16Å; T251-K272 WeakPolarHBondContact CA-O 3Å; T251-K272 HydrophobicContact CG2-CB 3.94Å; T251-K272 HydrophobicContact CG2-CD 3.75Å; T251-K272 HydrophobicContact CG2-CG 3.82Å
252	L	88.8	Confident	76.2	Confident	13 Å²	13	60.1 Å²	60.1	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.2	168.7	-174.6	65	0	0	0	108.5	C242 N244 I270 K272 L273 D274	C242-L252 HydrophobicContact CB-CD1 3.77Å; C242-L252 HydrophobicContact CB-CG 4.2Å; N244-L252 HydrophobicContact CB-CD1 4.07Å; L252-I270 HydrophobicContact CB-CD1 4.24Å; L252-I270 HydrophobicContact CB-CG2 4.24Å; L252-K272 PolarHBondContact N-O 3.45Å; L252-L273 HydrophobicContact CB-CD1 3.85Å; L252-L273 HydrophobicContact CD2-CD1 3.92Å; L252-L273 HydrophobicContact CG-CD1 4.03Å; L252-L273 WeakPolarHBondContact O-CA 2.91Å; L252-L273 WeakPolarHBondContact O-CD1 3.27Å; L252-D274 PolarHBondContact O-N 2.83Å
253	D	84	Confident	76.9	Confident	38 Å²	38	59.5 Å²	59.5	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.6	179.4	-171.4	-10.1	0	0	0	110.6	C242 H243 Y245 K255	C242-D253 CarbonylContact C-O 3.54Å; C242-D253 VanDerWaalsContact CA-O 3.27Å; C242-D253 WeakPolarHBondContact CA-O 3.48Å; C242-D253 WeakPolarHBondContact CB-O 3.27Å; H243-D253 PolarHBondContact N-O 3.4Å; H243-D253 PolarHBondContact O-N 3.31Å; Y245-D253 HydrophobicContact CD2-CB 3.85Å; Y245-D253 HydrophobicContact CE2-CB 3.53Å; D253-K255 WeakPolarHBondContact OD1-CB 3.18Å; D253-K255 PolarHBondContact OD1-N 3.49Å
254	C	88.3	Confident	77.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.307	C	S	.	.			trans	-108	20.8	176.3	-65.2	0	0	0	0	111.7	C242 K257 L259 D274 L275 N278	C242-C254 HydrophobicContact CB-CB 3.95Å; C242-C254 WeakPolarHBondContact CB-SG 3.31Å; C242-C254 VanDerWaalsContact SG-CA 3.53Å; C242-C254 WeakPolarHBondContact SG-CB 3.24Å; C242-C254 CovalentContact SG-SG 2.02Å; C242-C254 PolarHBondContact SG-SG 3.49Å; C254-K257 WeakPolarHBondContact O-CG 3.13Å; C254-L259 HydrophobicContact CB-CD1 3.81Å; C254-D274 CarbonylContact C-O 3.6Å; C254-D274 VanDerWaalsContact CA-O 3.31Å; C254-D274 WeakPolarHBondContact CA-O 3.18Å; C254-D274 VanDerWaalsContact CB-O 3.32Å; C254-D274 WeakPolarHBondContact CB-O 3.47Å; C254-D274 PolarHBondContact N-O 2.95Å; C254-L275 HydrophobicContact CB-CD2 3.52Å; C254-L275 HydrophobicContact CB-CG 4.35Å; C254-N278 PolarHBondContact O-ND2 3.07Å
255	K	85.8	Confident	77.1	Confident	87 Å²	87	61.7 Å²	61.7	38%	0.378	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	140.1	-174.8	-179.7	177.2	175.4	178.3	0	112.5	D253 K257 D274 S276 Y277	D253-K255 WeakPolarHBondContact OD1-CB 3.18Å; D253-K255 PolarHBondContact OD1-N 3.49Å; K255-K257 VanDerWaalsContact C-N 3.28Å; K255-K257 WeakPolarHBondContact O-CG 3.49Å; K255-K257 PolarHBondContact O-N 3Å; K255-D274 PolarHBondContact N-O 3.08Å; K255-S276 WeakPolarHBondContact CA-O 3.27Å; K255-Y277 HydrophobicContact CD-CD2 4.25Å; K255-Y277 HydrophobicContact CG-CD2 4.17Å
256	S	86.5	Confident	78.3	Confident	75 Å²	75	57.8 Å²	57.8	52%	0.524	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	38.1	174	-58.6	0	0	0	0	114.2	S276 Y277	S256-S276 PolarHBondContact N-O 2.92Å; S256-S276 VanDerWaalsContact N-O 3.15Å; S256-Y277 WeakPolarHBondContact CA-O 3.45Å; S256-Y277 WeakPolarHBondContact OG-CB 3.4Å
257	K	85.4	Confident	79.5	Confident	85 Å²	85	57.1 Å²	57.1	37%	0.37	30%	0.304	S	S	.	.	S	Bend	trans	-102.6	10.5	-179.4	-59.7	-58.8	175.1	160.7	0	113.4	L241 C254 K255 L259 N278	L241-K257 HydrophobicContact CB-CD 4.49Å; L241-K257 VanDerWaalsContact O-CD 3.31Å; L241-K257 WeakPolarHBondContact O-CD 3.46Å; L241-K257 WeakPolarHBondContact O-CE 3.44Å; L241-K257 PolarHBondContact O-NZ 2.94Å; C254-K257 WeakPolarHBondContact O-CG 3.13Å; K255-K257 VanDerWaalsContact C-N 3.28Å; K255-K257 WeakPolarHBondContact O-CG 3.49Å; K255-K257 PolarHBondContact O-N 3Å; K257-L259 HydrophobicContact CB-CD1 4.2Å; K257-L259 HydrophobicContact CB-CD2 4.36Å; K257-L259 HydrophobicContact CB-CG 3.86Å; K257-L259 PolarHBondContact O-N 3.38Å; K257-L259 VanDerWaalsContact O-N 3.16Å; K257-N278 WeakPolarHBondContact CA-OD1 3.32Å; K257-N278 PolarHBondContact N-OD1 3.49Å
258	E	88.1	Confident	81.4	Confident	128 Å²	128	58 Å²	58	60%	0.598	32%	0.316	S	S	*	.			trans	56.6	23.5	-176.8	-49.1	-153.4	136.1	0	0	115	K260 N278 K279	E258-K260 PolarHBondContact O-N 3.37Å; E258-N278 PolarHBondContact N-OD1 2.89Å; E258-K279 HydrophobicContact CB-CD 4.23Å; E258-K279 IonicContact OE1-NZ 3.02Å; E258-K279 PolarHBondContact OE1-NZ 2.77Å; E258-K279 IonicContact OE2-NZ 2.81Å; E258-K279 PolarHBondContact OE2-NZ 2.77Å
259	L	89	Confident	83.3	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	32%	0.32	C	S	.	.			trans	-63.2	133.4	-175.2	-62.5	170.9	0	0	0	110.7	C254 K257 P263 L275 N278 K279 I280	C254-L259 HydrophobicContact CB-CD1 3.81Å; K257-L259 HydrophobicContact CB-CD1 4.2Å; K257-L259 HydrophobicContact CB-CD2 4.36Å; K257-L259 HydrophobicContact CB-CG 3.86Å; K257-L259 PolarHBondContact O-N 3.38Å; K257-L259 VanDerWaalsContact O-N 3.16Å; L259-P263 HydrophobicContact CD1-CG 3.99Å; L259-L275 HydrophobicContact CD1-CD2 3.94Å; L259-N278 HydrophobicContact CB-CB 4.09Å; L259-N278 PolarHBondContact N-OD1 2.98Å; L259-K279 CarbonylContact O-C 3.49Å; L259-K279 VanDerWaalsContact O-CA 3.25Å; L259-K279 WeakPolarHBondContact O-CA 3.31Å; L259-K279 PolarHBondContact O-N 2.76Å; L259-I280 PolarHBondContact O-N 3.36Å; L259-I280 VanDerWaalsContact O-N 3.17Å
260	K	91.3	Very high	84.5	Confident	157 Å²	157	56 Å²	56	68%	0.683	30%	0.303	S	S	*	.	S	Bend	trans	-92.7	-13.2	176.7	-65	179.8	-178	174.6	0	113.1	E258 K279	E258-K260 PolarHBondContact O-N 3.37Å; K260-K279 HydrophobicContact CG-CB 4.38Å
261	K	90.8	Very high	85.1	Confident	108 Å²	108	56 Å²	56	47%	0.47	31%	0.306	S	S	.	.	S	Bend	trans	-148.1	163.2	-176.6	-61.6	-177.7	-174.6	170.9	0	109.9
262	V	91	Very high	85.7	Confident	16 Å²	16	58.7 Å²	58.7	10%	0.097	32%	0.316	C	S	.	.			trans	-65.7	133	170	-178.4	0	0	0	0	109.4	I266 L275 I280 L283 E287 F288	V262-I266 HydrophobicContact CG1-CD1 3.75Å; V262-L275 HydrophobicContact CG1-CD1 4.19Å; V262-L275 HydrophobicContact CG2-CD1 4.36Å; V262-I280 HydrophobicContact CG2-CD1 4.4Å; V262-L283 HydrophobicContact CG2-CD2 3.79Å; V262-E287 HydrophobicContact CB-CB 4.17Å; V262-E287 HydrophobicContact CB-CG 4.35Å; V262-E287 HydrophobicContact CG1-CB 4.3Å; V262-E287 HydrophobicContact CG2-CB 4.36Å; V262-E287 WeakPolarHBondContact CG2-OE2 3.3Å; V262-F288 HydrophobicContact CG1-CD1 4.38Å; V262-F288 HydrophobicContact CG1-CE1 3.74Å; V262-F288 HydrophobicContact CG1-CZ 4.04Å; V262-F288 HydrophobicContact CG2-CE1 4.36Å; V262-F288 HydrophobicContact CG2-CE2 4.5Å; V262-F288 HydrophobicContact CG2-CZ 3.83Å
263	P	86.6	Confident	86	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.039	31%	0.313	C	S	.	.			trans	-64.1	138.3	176.6	-20.9	32.3	0	0	0	111.9	L259 I266 L275	L259-P263 HydrophobicContact CD1-CG 3.99Å; P263-I266 WeakPolarHBondContact O-CG1 3.35Å; P263-L275 HydrophobicContact CG-CD2 4.28Å
264	G	77.7	Confident	86.4	Confident	70 Å²	70	57.1 Å²	57.1	72%	0.722	31%	0.307	S	S	*	.	S	Bend	trans	-79.2	-15.4	-173.3	0	0	0	0	0	116.8
265	N	72.1	Confident	86.8	Confident	126 Å²	126	57.1 Å²	57.1	67%	0.674	31%	0.307	S	S	*	.			trans	-110.3	63.8	179.9	-48.8	-62.2	0	0	0	111.1	S239	S239-N265 WeakPolarHBondContact OG-CB 3.39Å; S239-N265 PolarHBondContact OG-ND2 3.01Å
266	I	83.8	Confident	87.3	Confident	17 Å²	17	53 Å²	53	9%	0.087	29%	0.29	C	S	.	.			trans	-75.6	124.2	173.7	-60.9	174.2	0	0	0	108	V262 P263 I270 L273 F288 A291	V262-I266 HydrophobicContact CG1-CD1 3.75Å; P263-I266 WeakPolarHBondContact O-CG1 3.35Å; I266-I270 HydrophobicContact CG2-CD1 3.21Å; I266-I270 HydrophobicContact CG2-CG1 3.87Å; I266-L273 HydrophobicContact CD1-CD2 3.86Å; I266-L273 HydrophobicContact CG2-CD2 4.48Å; I266-F288 HydrophobicContact CD1-CD1 3.85Å; I266-F288 HydrophobicContact CD1-CE1 4.17Å; I266-A291 HydrophobicContact CG2-CB 4.08Å
267	P	81.9	Confident	87.6	Confident	34 Å²	34	55.4 Å²	55.4	22%	0.221	29%	0.288	C	S	.	.			trans	-62.7	137.9	177.1	-16.9	28.7	0	0	0	110.8	D269 I270	P267-D269 WeakPolarHBondContact CB-OD1 3.33Å; P267-D269 PolarHBondContact O-N 2.81Å; P267-I270 HydrophobicContact CB-CG2 3.83Å; P267-I270 HydrophobicContact CG-CG2 3.94Å; P267-I270 WeakPolarHBondContact O-CG1 3.37Å; P267-I270 WeakPolarHBondContact O-CG2 3.43Å; P267-I270 PolarHBondContact O-N 2.77Å
268	P	81.4	Confident	87.9	Confident	79 Å²	79	51.9 Å²	51.9	51%	0.513	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.1	-171.5	28.1	-35.9	0	0	0	114	D290	P268-D290 VanDerWaalsContact CA-O 3.32Å; P268-D290 WeakPolarHBondContact CA-O 3.43Å; P268-D290 VanDerWaalsContact CB-O 3.32Å; P268-D290 WeakPolarHBondContact CB-O 3.45Å
269	D	79.6	Confident	88.3	Confident	76 Å²	76	50.7 Å²	50.7	41%	0.406	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	0.1	-177.5	56.2	-17.5	0	0	0	113.4	Q250 P267 V271	Q250-D269 PolarHBondContact NE2-OD1 2.67Å; Q250-D269 VanDerWaalsContact NE2-OD1 3.09Å; Q250-D269 PolarHBondContact NE2-OD2 2.77Å; Q250-D269 PolarHBondContact OE1-O 2.73Å; Q250-D269 PolarHBondContact OE1-OD2 3.34Å; Q250-D269 VanDerWaalsContact OE1-OD2 3.12Å; P267-D269 WeakPolarHBondContact CB-OD1 3.33Å; P267-D269 PolarHBondContact O-N 2.81Å; D269-V271 PolarHBondContact O-N 3.28Å
270	I	85.6	Confident	88.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.			trans	-64.6	138.6	177.4	70.7	166.2	0	0	0	111.6	Q250 L252 I266 P267 L273 E293 L294	Q250-I270 HydrophobicContact CG-CG2 4.27Å; L252-I270 HydrophobicContact CB-CD1 4.24Å; L252-I270 HydrophobicContact CB-CG2 4.24Å; I266-I270 HydrophobicContact CG2-CD1 3.21Å; I266-I270 HydrophobicContact CG2-CG1 3.87Å; P267-I270 HydrophobicContact CB-CG2 3.83Å; P267-I270 HydrophobicContact CG-CG2 3.94Å; P267-I270 WeakPolarHBondContact O-CG1 3.37Å; P267-I270 WeakPolarHBondContact O-CG2 3.43Å; P267-I270 PolarHBondContact O-N 2.77Å; I270-L273 HydrophobicContact CD1-CB 3.84Å; I270-L273 HydrophobicContact CD1-CD1 4.23Å; I270-L273 HydrophobicContact CD1-CD2 4.16Å; I270-L273 HydrophobicContact CD1-CG 4.31Å; I270-E293 CarbonylContact O-C 3.58Å; I270-L294 HydrophobicContact CD1-CD1 3.81Å; I270-L294 HydrophobicContact CG1-CD1 3.86Å; I270-L294 WeakPolarHBondContact O-CA 2.97Å; I270-L294 PolarHBondContact O-N 2.91Å
271	V	89.5	Confident	88.8	Confident	39 Å²	39	46 Å²	46	24%	0.236	25%	0.254	C	S	.	.	S	Bend	trans	-105.3	-28.9	179.1	176.9	0	0	0	0	110.7	I249 Q250 D269 K295 K296	I249-V271 HydrophobicContact CG2-CB 3.46Å; I249-V271 VanDerWaalsContact CG2-CB 3.46Å; I249-V271 HydrophobicContact CG2-CG1 3.44Å; I249-V271 VanDerWaalsContact CG2-CG1 3.44Å; I249-V271 HydrophobicContact CG2-CG2 4.33Å; Q250-V271 PolarHBondContact O-N 3.35Å; D269-V271 PolarHBondContact O-N 3.28Å; V271-K295 HydrophobicContact CG1-CB 4.01Å; V271-K295 HydrophobicContact CG1-CD 3.92Å; V271-K295 HydrophobicContact CG1-CG 4.04Å; V271-K295 PolarHBondContact O-N 2.89Å; V271-K296 PolarHBondContact O-N 3.24Å
272	K	92.5	Very high	89	Confident	74 Å²	74	44.8 Å²	44.8	32%	0.322	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.4	174.5	-179.2	-177.4	172.6	-162.7	0	110.9	Q250 T251 L252 K296	Q250-K272 PolarHBondContact O-N 3.27Å; T251-K272 CarbonylContact C-O 3.16Å; T251-K272 WeakPolarHBondContact CA-O 3Å; T251-K272 HydrophobicContact CG2-CB 3.94Å; T251-K272 HydrophobicContact CG2-CD 3.75Å; T251-K272 HydrophobicContact CG2-CG 3.82Å; L252-K272 PolarHBondContact N-O 3.45Å; K272-K296 CarbonylContact C-O 3.35Å; K272-K296 VanDerWaalsContact CA-O 3.31Å; K272-K296 WeakPolarHBondContact CA-O 3.48Å; K272-K296 HydrophobicContact CB-CB 4.15Å; K272-K296 HydrophobicContact CG-CB 3.93Å
273	L	94.7	Very high	89.3	Confident	1 Å²	1	44 Å²	44	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.8	174.5	179.8	52.8	0	0	0	108.9	L252 I266 I270 L275 F288 L294 K296 L297 N298	L252-L273 HydrophobicContact CB-CD1 3.85Å; L252-L273 HydrophobicContact CD2-CD1 3.92Å; L252-L273 HydrophobicContact CG-CD1 4.03Å; L252-L273 WeakPolarHBondContact O-CA 2.91Å; L252-L273 WeakPolarHBondContact O-CD1 3.27Å; I266-L273 HydrophobicContact CD1-CD2 3.86Å; I266-L273 HydrophobicContact CG2-CD2 4.48Å; I270-L273 HydrophobicContact CD1-CB 3.84Å; I270-L273 HydrophobicContact CD1-CD1 4.23Å; I270-L273 HydrophobicContact CD1-CD2 4.16Å; I270-L273 HydrophobicContact CD1-CG 4.31Å; L273-L275 HydrophobicContact CD1-CD1 4.29Å; L273-L275 HydrophobicContact CD1-CG 4.06Å; L273-L275 HydrophobicContact CD2-CD1 3.8Å; L273-L275 HydrophobicContact CD2-CG 4.44Å; L273-L275 HydrophobicContact CG-CD1 3.91Å; L273-L275 HydrophobicContact CG-CG 4.03Å; L273-F288 HydrophobicContact CD2-CD1 4.09Å; L273-F288 HydrophobicContact CD2-CE1 3.76Å; L273-L294 HydrophobicContact CB-CD1 3.66Å; L273-L294 HydrophobicContact CB-CD2 4.23Å; L273-K296 PolarHBondContact N-O 3Å; L273-L297 HydrophobicContact CB-CD1 3.89Å; L273-L297 HydrophobicContact CD2-CD1 3.85Å; L273-L297 HydrophobicContact CG-CD1 3.85Å; L273-N298 PolarHBondContact O-N 2.8Å
274	D	93.9	Very high	89.6	Confident	16 Å²	16	48.6 Å²	48.6	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108	174.3	-157.6	-35.6	0	0	0	110.4	L252 C254 K255 S276 N298	L252-D274 PolarHBondContact O-N 2.83Å; C254-D274 CarbonylContact C-O 3.6Å; C254-D274 VanDerWaalsContact CA-O 3.31Å; C254-D274 WeakPolarHBondContact CA-O 3.18Å; C254-D274 VanDerWaalsContact CB-O 3.32Å; C254-D274 WeakPolarHBondContact CB-O 3.47Å; C254-D274 PolarHBondContact N-O 2.95Å; K255-D274 PolarHBondContact N-O 3.08Å; D274-S276 VanDerWaalsContact OD1-CB 3.23Å; D274-S276 WeakPolarHBondContact OD1-CB 3.48Å; D274-S276 PolarHBondContact OD1-N 3.15Å; D274-S276 PolarHBondContact OD1-OG 3.13Å; D274-N298 PolarHBondContact OD1-ND2 2.78Å; D274-N298 PolarHBondContact OD2-ND2 3.38Å; D274-N298 VanDerWaalsContact OD2-ND2 3.12Å
275	L	95.8	Very high	90.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.			trans	-112.8	18.7	175.9	-74.9	164	0	0	0	111	C254 L259 V262 P263 L273 N278 I280 F288 L297 N298 L299 N302	C254-L275 HydrophobicContact CB-CD2 3.52Å; C254-L275 HydrophobicContact CB-CG 4.35Å; L259-L275 HydrophobicContact CD1-CD2 3.94Å; V262-L275 HydrophobicContact CG1-CD1 4.19Å; V262-L275 HydrophobicContact CG2-CD1 4.36Å; P263-L275 HydrophobicContact CG-CD2 4.28Å; L273-L275 HydrophobicContact CD1-CD1 4.29Å; L273-L275 HydrophobicContact CD1-CG 4.06Å; L273-L275 HydrophobicContact CD2-CD1 3.8Å; L273-L275 HydrophobicContact CD2-CG 4.44Å; L273-L275 HydrophobicContact CG-CD1 3.91Å; L273-L275 HydrophobicContact CG-CG 4.03Å; L275-N278 VanDerWaalsContact C-ND2 3.34Å; L275-N278 PolarHBondContact O-ND2 2.89Å; L275-I280 HydrophobicContact CB-CD1 4.35Å; L275-I280 HydrophobicContact CD2-CD1 4.42Å; L275-F288 HydrophobicContact CD1-CE1 4.16Å; L275-F288 HydrophobicContact CD1-CZ 4.45Å; L275-L297 HydrophobicContact CD1-CD1 4.48Å; L275-N298 CarbonylContact C-O 3.12Å; L275-N298 WeakPolarHBondContact CA-O 3.32Å; L275-N298 PolarHBondContact N-O 2.8Å; L275-L299 HydrophobicContact CB-CD2 3.79Å; L275-L299 HydrophobicContact CD1-CD2 3.88Å; L275-N302 PolarHBondContact O-ND2 2.63Å
276	S	95.5	Very high	90.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	24%	0.237	C	C	.	.			trans	-69.1	159.1	-176.2	63.4	0	0	0	0	113.6	K255 S256 D274 N278 N298 S300	K255-S276 WeakPolarHBondContact CA-O 3.27Å; S256-S276 PolarHBondContact N-O 2.92Å; S256-S276 VanDerWaalsContact N-O 3.15Å; D274-S276 VanDerWaalsContact OD1-CB 3.23Å; D274-S276 WeakPolarHBondContact OD1-CB 3.48Å; D274-S276 PolarHBondContact OD1-N 3.15Å; D274-S276 PolarHBondContact OD1-OG 3.13Å; S276-N278 VanDerWaalsContact C-N 3.29Å; S276-N278 PolarHBondContact O-N 2.92Å; S276-N278 PolarHBondContact O-ND2 2.02Å; S276-N298 PolarHBondContact N-O 3.14Å; S276-N298 PolarHBondContact OG-ND2 2.95Å; S276-S300 CarbonylContact C-O 3.56Å; S276-S300 WeakPolarHBondContact CA-O 3.31Å; S276-S300 VanDerWaalsContact CB-O 3.26Å; S276-S300 WeakPolarHBondContact CB-O 2.95Å; S276-S300 WeakPolarHBondContact CB-OG 3.45Å
277	Y	93.2	Very high	91	Very high	126 Å²	126	48.4 Å²	48.4	49%	0.494	24%	0.242	S	C	.	.	S	Bend	trans	57.8	38	178	-61.7	-90.1	0	0	0	113.8	K255 S256 S300 S301	K255-Y277 HydrophobicContact CD-CD2 4.25Å; K255-Y277 HydrophobicContact CG-CD2 4.17Å; S256-Y277 WeakPolarHBondContact CA-O 3.45Å; S256-Y277 WeakPolarHBondContact OG-CB 3.4Å; Y277-S300 PolarHBondContact N-O 2.98Å; Y277-S300 VanDerWaalsContact N-O 3.07Å; Y277-S301 WeakPolarHBondContact CA-O 3.2Å; Y277-S301 PolarHBondContact N-O 2.9Å
278	N	93.1	Very high	91.5	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.059	23%	0.232	C	C	.	.	S	Bend	trans	-110	-170.5	174.6	-76.5	-62.8	0	0	0	110.9	C254 K257 E258 L259 L275 S276 I280 N302	C254-N278 PolarHBondContact O-ND2 3.07Å; K257-N278 WeakPolarHBondContact CA-OD1 3.32Å; K257-N278 PolarHBondContact N-OD1 3.49Å; E258-N278 PolarHBondContact N-OD1 2.89Å; L259-N278 HydrophobicContact CB-CB 4.09Å; L259-N278 PolarHBondContact N-OD1 2.98Å; L275-N278 VanDerWaalsContact C-ND2 3.34Å; L275-N278 PolarHBondContact O-ND2 2.89Å; S276-N278 VanDerWaalsContact C-N 3.29Å; S276-N278 PolarHBondContact O-N 2.92Å; S276-N278 PolarHBondContact O-ND2 2.02Å; N278-I280 HydrophobicContact CB-CD1 4.47Å; N278-I280 HydrophobicContact CB-CG1 4.21Å; N278-N302 VanDerWaalsContact CA-OD1 3.26Å; N278-N302 WeakPolarHBondContact CA-OD1 3.48Å; N278-N302 WeakPolarHBondContact CB-OD1 3.46Å; N278-N302 PolarHBondContact N-OD1 3.08Å; N278-N302 PolarHBondContact O-OD1 2.01Å
279	K	94.6	Very high	91.7	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	22%	0.224	S	C	.	.			trans	-113.6	29.3	-177.9	-60.8	176.2	-173.8	166.3	0	110.9	E258 L259 K260 S281	E258-K279 HydrophobicContact CB-CD 4.23Å; E258-K279 IonicContact OE1-NZ 3.02Å; E258-K279 PolarHBondContact OE1-NZ 2.77Å; E258-K279 IonicContact OE2-NZ 2.81Å; E258-K279 PolarHBondContact OE2-NZ 2.77Å; L259-K279 CarbonylContact O-C 3.49Å; L259-K279 VanDerWaalsContact O-CA 3.25Å; L259-K279 WeakPolarHBondContact O-CA 3.31Å; L259-K279 PolarHBondContact O-N 2.76Å; K260-K279 HydrophobicContact CG-CB 4.38Å; K279-S281 PolarHBondContact O-N 2.91Å
280	I	95.9	Very high	91.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.			trans	-72.4	123.6	179.7	-55.4	174.4	0	0	0	108.1	L259 V262 L275 N278 L283 L299 N302 G303 I304	L259-I280 PolarHBondContact O-N 3.36Å; L259-I280 VanDerWaalsContact O-N 3.17Å; V262-I280 HydrophobicContact CG2-CD1 4.4Å; L275-I280 HydrophobicContact CB-CD1 4.35Å; L275-I280 HydrophobicContact CD2-CD1 4.42Å; N278-I280 HydrophobicContact CB-CD1 4.47Å; N278-I280 HydrophobicContact CB-CG1 4.21Å; I280-L283 HydrophobicContact CG2-CD2 4.08Å; I280-L299 HydrophobicContact CD1-CD2 4.4Å; I280-N302 HydrophobicContact CB-CB 4.44Å; I280-N302 WeakPolarHBondContact CB-OD1 3.13Å; I280-N302 PolarHBondContact N-OD1 3.44Å; I280-G303 CarbonylContact O-C 3.41Å; I280-G303 WeakPolarHBondContact O-CA 3.13Å; I280-G303 PolarHBondContact O-N 2.79Å; I280-I304 HydrophobicContact CB-CG1 4.4Å; I280-I304 HydrophobicContact CG2-CG1 4.19Å; I280-I304 WeakPolarHBondContact O-CG1 3.33Å; I280-I304 PolarHBondContact O-N 2.88Å; I280-I304 VanDerWaalsContact O-N 3.16Å
281	S	95.8	Very high	91.9	Very high	64 Å²	64	48.1 Å²	48.1	45%	0.448	23%	0.231	S	C	.	.			trans	-106.1	-18.4	-176.1	60.1	0	0	0	0	114.7	K279 G303 I304 G305	K279-S281 PolarHBondContact O-N 2.91Å; S281-G303 WeakPolarHBondContact CA-O 3.34Å; S281-I304 WeakPolarHBondContact O-CA 3.18Å; S281-G305 PolarHBondContact O-N 2.88Å
282	Q	95.7	Very high	91.6	Very high	81 Å²	81	50.4 Å²	50.4	38%	0.379	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	149.7	178.9	65.2	-170.7	-56.5	0	0	109.9	F306	Q282-F306 VanDerWaalsContact CA-O 3.24Å; Q282-F306 WeakPolarHBondContact CA-O 3.46Å; Q282-F306 HydrophobicContact CB-CB 4.42Å; Q282-F306 HydrophobicContact CB-CD1 4.48Å
283	L	96.3	Very high	91.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.9	169	-58.2	179.7	0	0	0	109.7	V262 I280 E287 L299 I304 F306 I307 D308 A311 F312	V262-L283 HydrophobicContact CG2-CD2 3.79Å; I280-L283 HydrophobicContact CG2-CD2 4.08Å; L283-E287 WeakPolarHBondContact CA-OE2 3.48Å; L283-L299 HydrophobicContact CD1-CD1 3.84Å; L283-L299 HydrophobicContact CD2-CD2 4.36Å; L283-I304 HydrophobicContact CD1-CD1 4.47Å; L283-I304 HydrophobicContact CD2-CD1 4.25Å; L283-I304 HydrophobicContact CG-CD1 4.3Å; L283-I304 HydrophobicContact CG-CG2 4.39Å; L283-F306 PolarHBondContact N-O 2.72Å; L283-I307 HydrophobicContact CB-CG1 4.48Å; L283-I307 HydrophobicContact CB-CG2 4.21Å; L283-I307 HydrophobicContact CD1-CD1 4.21Å; L283-I307 HydrophobicContact CD1-CG1 3.98Å; L283-I307 HydrophobicContact CD1-CG2 4.1Å; L283-I307 HydrophobicContact CG-CG1 4.32Å; L283-D308 WeakPolarHBondContact O-CB 3.04Å; L283-D308 PolarHBondContact O-N 2.93Å; L283-D308 VanDerWaalsContact O-N 3.07Å; L283-A311 HydrophobicContact CB-CB 3.82Å; L283-F312 HydrophobicContact CD1-CE1 3.74Å; L283-F312 HydrophobicContact CD1-CZ 3.73Å
284	R	93	Very high	91.3	Very high	102 Å²	102	51.7 Å²	51.7	39%	0.385	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-98.8	162.9	-175.4	-60.2	174.8	174.7	-159.1	-10.5	111.1	K286 E287 A311	R284-K286 PolarHBondContact O-N 2.97Å; R284-E287 HydrophobicContact CB-CG 3.9Å; R284-E287 WeakPolarHBondContact CB-OE1 3.07Å; R284-E287 WeakPolarHBondContact CG-OE1 3.46Å; R284-E287 PolarHBondContact N-OE2 2.99Å; R284-E287 WeakPolarHBondContact O-CG 3.06Å; R284-A311 WeakPolarHBondContact O-CA 3.31Å
285	P	91.1	Very high	91.3	Very high	67 Å²	67	54.6 Å²	54.6	44%	0.435	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	139.8	174.9	-23.5	28.9	0	0	0	112.5	E287 D308 A310	P285-E287 PolarHBondContact O-N 2.99Å; P285-E287 VanDerWaalsContact O-N 3.16Å; P285-D308 HydrophobicContact CG-CB 4.24Å; P285-D308 VanDerWaalsContact CG-CG 3.49Å; P285-D308 WeakPolarHBondContact CG-OD2 3.22Å; P285-A310 HydrophobicContact CB-CB 4.02Å
286	K	85.3	Confident	91.4	Very high	104 Å²	104	57.9 Å²	57.9	45%	0.452	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	18.8	169.7	-64.8	157.9	163.4	-89.1	0	115.5	R284 F288 E289 A310 L313	R284-K286 PolarHBondContact O-N 2.97Å; K286-F288 PolarHBondContact O-N 3.17Å; K286-F288 VanDerWaalsContact O-N 3.17Å; K286-E289 HydrophobicContact CB-CB 3.99Å; K286-E289 HydrophobicContact CG-CB 4.48Å; K286-E289 IonicContact NZ-OE1 2.85Å; K286-E289 PolarHBondContact NZ-OE1 3.41Å; K286-E289 IonicContact NZ-OE2 2.69Å; K286-E289 PolarHBondContact NZ-OE2 3.31Å; K286-E289 WeakPolarHBondContact O-CB 3.43Å; K286-E289 PolarHBondContact O-N 3.13Å; K286-A310 PolarHBondContact N-O 3.23Å; K286-L313 HydrophobicContact CG-CD2 4.1Å
287	E	87.8	Confident	91.5	Very high	38 Å²	38	58 Å²	58	18%	0.178	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	179.1	-79.3	-176.3	155.4	0	0	113.6	V262 L283 R284 P285	V262-E287 HydrophobicContact CB-CB 4.17Å; V262-E287 HydrophobicContact CB-CG 4.35Å; V262-E287 HydrophobicContact CG1-CB 4.3Å; V262-E287 HydrophobicContact CG2-CB 4.36Å; V262-E287 WeakPolarHBondContact CG2-OE2 3.3Å; L283-E287 WeakPolarHBondContact CA-OE2 3.48Å; R284-E287 HydrophobicContact CB-CG 3.9Å; R284-E287 WeakPolarHBondContact CB-OE1 3.07Å; R284-E287 WeakPolarHBondContact CG-OE1 3.46Å; R284-E287 PolarHBondContact N-OE2 2.99Å; R284-E287 WeakPolarHBondContact O-CG 3.06Å; P285-E287 PolarHBondContact O-N 2.99Å; P285-E287 VanDerWaalsContact O-N 3.16Å
288	F	90.8	Very high	91.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	18.9	176.9	-53.1	-77	0	0	0	113.3	V262 I266 L273 L275 K286 D290 A291 L297 L299 A311 F312 L315	V262-F288 HydrophobicContact CG1-CD1 4.38Å; V262-F288 HydrophobicContact CG1-CE1 3.74Å; V262-F288 HydrophobicContact CG1-CZ 4.04Å; V262-F288 HydrophobicContact CG2-CE1 4.36Å; V262-F288 HydrophobicContact CG2-CE2 4.5Å; V262-F288 HydrophobicContact CG2-CZ 3.83Å; I266-F288 HydrophobicContact CD1-CD1 3.85Å; I266-F288 HydrophobicContact CD1-CE1 4.17Å; L273-F288 HydrophobicContact CD2-CD1 4.09Å; L273-F288 HydrophobicContact CD2-CE1 3.76Å; L275-F288 HydrophobicContact CD1-CE1 4.16Å; L275-F288 HydrophobicContact CD1-CZ 4.45Å; K286-F288 PolarHBondContact O-N 3.17Å; K286-F288 VanDerWaalsContact O-N 3.17Å; F288-D290 PolarHBondContact O-N 3.19Å; F288-D290 VanDerWaalsContact O-N 3.15Å; F288-A291 PolarHBondContact O-N 3.33Å; F288-L297 HydrophobicContact CE1-CD1 4.11Å; F288-L297 HydrophobicContact CE1-CD2 4.14Å; F288-L297 HydrophobicContact CE2-CD2 4.21Å; F288-L297 HydrophobicContact CZ-CD1 4.39Å; F288-L297 HydrophobicContact CZ-CD2 3.96Å; F288-L299 HydrophobicContact CZ-CD1 4.37Å; F288-A311 WeakPolarHBondContact CD2-O 3.37Å; F288-F312 HydrophobicContact CD2-CD1 4.11Å; F288-F312 HydrophobicContact CE2-CD1 4.14Å; F288-F312 HydrophobicContact CE2-CE1 4.15Å; F288-L315 HydrophobicContact CB-CD1 4.03Å; F288-L315 HydrophobicContact CB-CD2 3.68Å; F288-L315 HydrophobicContact CB-CG 3.82Å; F288-L315 HydrophobicContact CD2-CD1 4.14Å; F288-L315 HydrophobicContact CG-CD1 4.09Å; F288-L315 HydrophobicContact CG-CD2 4.38Å; F288-L315 HydrophobicContact CG-CG 4.43Å
289	E	86.4	Confident	92	Very high	76 Å²	76	53 Å²	53	36%	0.355	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.4	-171	-178	163.8	-141.4	0	0	112.6	K286 H292	K286-E289 HydrophobicContact CB-CB 3.99Å; K286-E289 HydrophobicContact CG-CB 4.48Å; K286-E289 IonicContact NZ-OE1 2.85Å; K286-E289 PolarHBondContact NZ-OE1 3.41Å; K286-E289 IonicContact NZ-OE2 2.69Å; K286-E289 PolarHBondContact NZ-OE2 3.31Å; K286-E289 WeakPolarHBondContact O-CB 3.43Å; K286-E289 PolarHBondContact O-N 3.13Å; E289-H292 PolarHBondContact O-CE1 2.89Å; E289-H292 PolarHBondContact O-ND1 3.31Å; E289-H292 PolarHBondContact O-NE2 3.38Å
290	D	80.1	Confident	92.2	Very high	103 Å²	103	48.5 Å²	48.5	55%	0.551	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.6	-177.6	-64.1	-44.2	0	0	0	114.5	P268 F288 H292	P268-D290 VanDerWaalsContact CA-O 3.32Å; P268-D290 WeakPolarHBondContact CA-O 3.43Å; P268-D290 VanDerWaalsContact CB-O 3.32Å; P268-D290 WeakPolarHBondContact CB-O 3.45Å; F288-D290 PolarHBondContact O-N 3.19Å; F288-D290 VanDerWaalsContact O-N 3.15Å; D290-H292 VanDerWaalsContact C-N 3.31Å; D290-H292 PolarHBondContact O-N 3.47Å; D290-H292 VanDerWaalsContact O-N 3.11Å
291	A	88.1	Confident	92.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	24%	0.243	C	C	.	.			trans	-90	51.6	-171.9	0	0	0	0	0	113	I266 F288 E293 L294 L315	I266-A291 HydrophobicContact CG2-CB 4.08Å; F288-A291 PolarHBondContact O-N 3.33Å; A291-E293 VanDerWaalsContact C-N 3.32Å; A291-E293 PolarHBondContact O-N 3.05Å; A291-L294 HydrophobicContact CB-CB 4.24Å; A291-L294 WeakPolarHBondContact O-CB 3.41Å; A291-L294 PolarHBondContact O-N 2.97Å; A291-L315 HydrophobicContact CB-CD2 4.23Å
292	H	84.7	Confident	92.3	Very high	88 Å²	88	47 Å²	47	41%	0.407	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.6	-170.5	-58.7	-55.9	0	0	0	115.6	E289 D290 L294 G314 H317	E289-H292 PolarHBondContact O-CE1 2.89Å; E289-H292 PolarHBondContact O-ND1 3.31Å; E289-H292 PolarHBondContact O-NE2 3.38Å; D290-H292 VanDerWaalsContact C-N 3.31Å; D290-H292 PolarHBondContact O-N 3.47Å; D290-H292 VanDerWaalsContact O-N 3.11Å; H292-L294 VanDerWaalsContact C-N 3.31Å; H292-G314 PolarHBondContact ND1-O 2.93Å; H292-H317 PolarHBondContact O-ND1 3.43Å
293	E	87.3	Confident	92.4	Very high	102 Å²	102	44.9 Å²	44.9	48%	0.477	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.3	179.9	-64	-63.7	146.3	0	0	112.8	I270 A291 K295	I270-E293 CarbonylContact O-C 3.58Å; A291-E293 VanDerWaalsContact C-N 3.32Å; A291-E293 PolarHBondContact O-N 3.05Å; E293-K295 PolarHBondContact O-N 2.89Å
294	L	94	Very high	92.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.			trans	-67.2	122.7	-175.8	-170.7	73	0	0	0	110.7	I270 L273 A291 H292 L297 L315 H317 L318	I270-L294 HydrophobicContact CD1-CD1 3.81Å; I270-L294 HydrophobicContact CG1-CD1 3.86Å; I270-L294 WeakPolarHBondContact O-CA 2.97Å; I270-L294 PolarHBondContact O-N 2.91Å; L273-L294 HydrophobicContact CB-CD1 3.66Å; L273-L294 HydrophobicContact CB-CD2 4.23Å; A291-L294 HydrophobicContact CB-CB 4.24Å; A291-L294 WeakPolarHBondContact O-CB 3.41Å; A291-L294 PolarHBondContact O-N 2.97Å; H292-L294 VanDerWaalsContact C-N 3.31Å; L294-L297 HydrophobicContact CD2-CB 4.02Å; L294-L297 HydrophobicContact CD2-CD1 4.31Å; L294-L297 HydrophobicContact CD2-CD2 4.39Å; L294-L297 HydrophobicContact CD2-CG 4.48Å; L294-L315 HydrophobicContact CB-CD2 3.98Å; L294-L315 HydrophobicContact CD2-CD2 3.65Å; L294-L315 HydrophobicContact CG-CD2 4.39Å; L294-H317 CarbonylContact O-C 3.48Å; L294-L318 HydrophobicContact CD2-CD1 4.12Å; L294-L318 HydrophobicContact CG-CD1 4.09Å; L294-L318 WeakPolarHBondContact O-CA 3.5Å; L294-L318 PolarHBondContact O-N 3.33Å
295	K	94.1	Very high	92.6	Very high	77 Å²	77	41.7 Å²	41.7	34%	0.335	22%	0.224	S	C	.	.			trans	-106.2	-27.7	178.3	-66.3	-175.5	169.2	-123.8	0	113.1	V271 E293 E319 E320	V271-K295 HydrophobicContact CG1-CB 4.01Å; V271-K295 HydrophobicContact CG1-CD 3.92Å; V271-K295 HydrophobicContact CG1-CG 4.04Å; V271-K295 PolarHBondContact O-N 2.89Å; E293-K295 PolarHBondContact O-N 2.89Å; K295-E319 HydrophobicContact CB-CG 4.4Å; K295-E319 IonicContact NZ-OE1 3.56Å; K295-E319 PolarHBondContact NZ-OE1 3.44Å; K295-E319 PolarHBondContact O-N 3.03Å; K295-E320 PolarHBondContact O-N 3.16Å
296	K	97.2	Very high	92.9	Very high	69 Å²	69	42.8 Å²	42.8	30%	0.3	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.8	-173.9	-60.7	-177.8	178	-117.5	0	110.6	V271 K272 L273 E320	V271-K296 PolarHBondContact O-N 3.24Å; K272-K296 CarbonylContact C-O 3.35Å; K272-K296 VanDerWaalsContact CA-O 3.31Å; K272-K296 WeakPolarHBondContact CA-O 3.48Å; K272-K296 HydrophobicContact CB-CB 4.15Å; K272-K296 HydrophobicContact CG-CB 3.93Å; L273-K296 PolarHBondContact N-O 3Å; K296-E320 WeakPolarHBondContact CA-O 3.38Å; K296-E320 WeakPolarHBondContact CE-OE1 3.3Å; K296-E320 WeakPolarHBondContact CE-OE2 3.45Å; K296-E320 HydrophobicContact CG-CB 4.14Å; K296-E320 HydrophobicContact CG-CG 4.22Å; K296-E320 IonicContact NZ-OE1 3.72Å; K296-E320 PolarHBondContact NZ-OE1 3.27Å; K296-E320 IonicContact NZ-OE2 3.36Å; K296-E320 PolarHBondContact NZ-OE2 2.99Å
297	L	97.8	Very high	93.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.5	178	178.7	54.4	0	0	0	110.1	L273 L275 F288 L294 L299 F312 L315 L318 E320 L321 D322	L273-L297 HydrophobicContact CB-CD1 3.89Å; L273-L297 HydrophobicContact CD2-CD1 3.85Å; L273-L297 HydrophobicContact CG-CD1 3.85Å; L275-L297 HydrophobicContact CD1-CD1 4.48Å; F288-L297 HydrophobicContact CE1-CD1 4.11Å; F288-L297 HydrophobicContact CE1-CD2 4.14Å; F288-L297 HydrophobicContact CE2-CD2 4.21Å; F288-L297 HydrophobicContact CZ-CD1 4.39Å; F288-L297 HydrophobicContact CZ-CD2 3.96Å; L294-L297 HydrophobicContact CD2-CB 4.02Å; L294-L297 HydrophobicContact CD2-CD1 4.31Å; L294-L297 HydrophobicContact CD2-CD2 4.39Å; L294-L297 HydrophobicContact CD2-CG 4.48Å; L297-L299 HydrophobicContact CD1-CD1 4.26Å; L297-L299 HydrophobicContact CD1-CG 4.07Å; L297-L299 HydrophobicContact CD2-CD1 3.78Å; L297-L299 HydrophobicContact CD2-CG 4.47Å; L297-L299 HydrophobicContact CG-CD1 3.89Å; L297-L299 HydrophobicContact CG-CG 4.07Å; L297-F312 HydrophobicContact CD2-CD1 4.46Å; L297-F312 HydrophobicContact CD2-CE1 4.14Å; L297-L315 HydrophobicContact CD2-CD1 3.92Å; L297-L318 HydrophobicContact CB-CD1 3.81Å; L297-E320 PolarHBondContact N-O 3.37Å; L297-L321 HydrophobicContact CB-CD1 4.02Å; L297-L321 HydrophobicContact CD2-CD1 3.95Å; L297-L321 HydrophobicContact CG-CD1 3.93Å; L297-L321 WeakPolarHBondContact O-CA 3.44Å; L297-D322 PolarHBondContact O-N 3.01Å
298	N	98	Very high	93.8	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.16	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112	175.3	-176.9	6.4	0	0	0	110.3	L273 D274 L275 S276 S300 D322	L273-N298 PolarHBondContact O-N 2.8Å; D274-N298 PolarHBondContact OD1-ND2 2.78Å; D274-N298 PolarHBondContact OD2-ND2 3.38Å; D274-N298 VanDerWaalsContact OD2-ND2 3.12Å; L275-N298 CarbonylContact C-O 3.12Å; L275-N298 WeakPolarHBondContact CA-O 3.32Å; L275-N298 PolarHBondContact N-O 2.8Å; S276-N298 PolarHBondContact N-O 3.14Å; S276-N298 PolarHBondContact OG-ND2 2.95Å; N298-S300 VanDerWaalsContact OD1-CB 3.3Å; N298-S300 WeakPolarHBondContact OD1-CB 3.44Å; N298-S300 PolarHBondContact OD1-N 3.37Å; N298-S300 PolarHBondContact OD1-OG 2.86Å; N298-D322 HydrophobicContact CB-CB 4.46Å
299	L	98.2	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.			trans	-117.4	15.9	176.6	-75.5	162	0	0	0	111.4	L275 I280 L283 F288 L297 N302 I304 F312 L321 D322 L323 N326	L275-L299 HydrophobicContact CB-CD2 3.79Å; L275-L299 HydrophobicContact CD1-CD2 3.88Å; I280-L299 HydrophobicContact CD1-CD2 4.4Å; L283-L299 HydrophobicContact CD1-CD1 3.84Å; L283-L299 HydrophobicContact CD2-CD2 4.36Å; F288-L299 HydrophobicContact CZ-CD1 4.37Å; L297-L299 HydrophobicContact CD1-CD1 4.26Å; L297-L299 HydrophobicContact CD1-CG 4.07Å; L297-L299 HydrophobicContact CD2-CD1 3.78Å; L297-L299 HydrophobicContact CD2-CG 4.47Å; L297-L299 HydrophobicContact CG-CD1 3.89Å; L297-L299 HydrophobicContact CG-CG 4.07Å; L299-N302 PolarHBondContact O-ND2 3.19Å; L299-I304 HydrophobicContact CB-CD1 4.04Å; L299-I304 HydrophobicContact CD2-CD1 4.23Å; L299-F312 HydrophobicContact CD1-CE1 4.25Å; L299-L321 HydrophobicContact CD1-CD1 4.4Å; L299-D322 CarbonylContact C-O 3.59Å; L299-D322 WeakPolarHBondContact CA-O 3.31Å; L299-D322 WeakPolarHBondContact CB-O 3.1Å; L299-D322 PolarHBondContact N-O 2.89Å; L299-L323 HydrophobicContact CB-CD2 3.91Å; L299-L323 HydrophobicContact CD1-CD2 4.06Å; L299-N326 PolarHBondContact O-ND2 2.89Å
300	S	98.1	Very high	94	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.063	22%	0.217	C	C	.	.			trans	-65.4	158	-176.2	64.6	0	0	0	0	113.5	S276 Y277 N298 N302 D322 S324	S276-S300 CarbonylContact C-O 3.56Å; S276-S300 WeakPolarHBondContact CA-O 3.31Å; S276-S300 VanDerWaalsContact CB-O 3.26Å; S276-S300 WeakPolarHBondContact CB-O 2.95Å; S276-S300 WeakPolarHBondContact CB-OG 3.45Å; Y277-S300 PolarHBondContact N-O 2.98Å; Y277-S300 VanDerWaalsContact N-O 3.07Å; N298-S300 VanDerWaalsContact OD1-CB 3.3Å; N298-S300 WeakPolarHBondContact OD1-CB 3.44Å; N298-S300 PolarHBondContact OD1-N 3.37Å; N298-S300 PolarHBondContact OD1-OG 2.86Å; S300-N302 VanDerWaalsContact C-N 3.27Å; S300-N302 PolarHBondContact O-N 3.26Å; S300-N302 PolarHBondContact O-ND2 3.23Å; S300-D322 PolarHBondContact N-O 2.92Å; S300-S324 CarbonylContact C-O 3.52Å; S300-S324 WeakPolarHBondContact CA-O 3.17Å; S300-S324 VanDerWaalsContact CB-O 3.31Å; S300-S324 WeakPolarHBondContact CB-O 3.31Å; S300-S324 WeakPolarHBondContact CB-OG 2.97Å
301	S	97.6	Very high	94.7	Very high	18 Å²	18	34 Å²	34	13%	0.126	19%	0.191	C	C	.	.	S	Bend	trans	54.8	44.2	177	-55.2	0	0	0	0	112.5	Y277 S324 N325	Y277-S301 WeakPolarHBondContact CA-O 3.2Å; Y277-S301 PolarHBondContact N-O 2.9Å; S301-S324 PolarHBondContact N-O 3.32Å; S301-N325 WeakPolarHBondContact CA-O 3.41Å; S301-N325 PolarHBondContact N-O 3.15Å; S301-N325 VanDerWaalsContact N-O 3.17Å; S301-N325 PolarHBondContact OG-ND2 3.45Å
302	N	97.3	Very high	94.9	Very high	16 Å²	16	34 Å²	34	9%	0.086	19%	0.191	C	C	.	.	S	Bend	trans	-111.5	-170.1	170	-84.8	-82.1	0	0	0	109.2	L275 N278 I280 L299 S300 I304 N325 N326	L275-N302 PolarHBondContact O-ND2 2.63Å; N278-N302 VanDerWaalsContact CA-OD1 3.26Å; N278-N302 WeakPolarHBondContact CA-OD1 3.48Å; N278-N302 WeakPolarHBondContact CB-OD1 3.46Å; N278-N302 PolarHBondContact N-OD1 3.08Å; N278-N302 PolarHBondContact O-OD1 2.01Å; I280-N302 HydrophobicContact CB-CB 4.44Å; I280-N302 WeakPolarHBondContact CB-OD1 3.13Å; I280-N302 PolarHBondContact N-OD1 3.44Å; L299-N302 PolarHBondContact O-ND2 3.19Å; S300-N302 VanDerWaalsContact C-N 3.27Å; S300-N302 PolarHBondContact O-N 3.26Å; S300-N302 PolarHBondContact O-ND2 3.23Å; N302-I304 HydrophobicContact CB-CD1 4.13Å; N302-I304 HydrophobicContact CB-CG1 3.89Å; N302-N325 PolarHBondContact N-O 3.28Å; N302-N326 VanDerWaalsContact CA-OD1 3.31Å; N302-N326 WeakPolarHBondContact CA-OD1 3.06Å; N302-N326 WeakPolarHBondContact CB-OD1 2.92Å; N302-N326 PolarHBondContact N-OD1 2.91Å; N302-N326 PolarHBondContact O-OD1 3.29Å
303	G	96.8	Very high	95	Very high	35 Å²	35	32.8 Å²	32.8	36%	0.361	19%	0.187	S	C	.	.			trans	-107.2	25.4	174.6	0	0	0	0	0	113	I280 S281 G305	I280-G303 CarbonylContact O-C 3.41Å; I280-G303 WeakPolarHBondContact O-CA 3.13Å; I280-G303 PolarHBondContact O-N 2.79Å; S281-G303 WeakPolarHBondContact CA-O 3.34Å; G303-G305 PolarHBondContact O-N 2.85Å; G303-G305 VanDerWaalsContact O-N 3.12Å
304	I	98.4	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.			trans	-66.7	114.9	-168.7	-57.4	169.2	0	0	0	109	I280 S281 L283 L299 N302 I307 L323 N326 N327 L328	I280-I304 HydrophobicContact CB-CG1 4.4Å; I280-I304 HydrophobicContact CG2-CG1 4.19Å; I280-I304 WeakPolarHBondContact O-CG1 3.33Å; I280-I304 PolarHBondContact O-N 2.88Å; I280-I304 VanDerWaalsContact O-N 3.16Å; S281-I304 WeakPolarHBondContact O-CA 3.18Å; L283-I304 HydrophobicContact CD1-CD1 4.47Å; L283-I304 HydrophobicContact CD2-CD1 4.25Å; L283-I304 HydrophobicContact CG-CD1 4.3Å; L283-I304 HydrophobicContact CG-CG2 4.39Å; L299-I304 HydrophobicContact CB-CD1 4.04Å; L299-I304 HydrophobicContact CD2-CD1 4.23Å; N302-I304 HydrophobicContact CB-CD1 4.13Å; N302-I304 HydrophobicContact CB-CG1 3.89Å; I304-I307 HydrophobicContact CG2-CD1 4.39Å; I304-I307 HydrophobicContact CG2-CG1 3.82Å; I304-L323 HydrophobicContact CD1-CD2 4.39Å; I304-N326 HydrophobicContact CB-CB 4.32Å; I304-N326 WeakPolarHBondContact CB-OD1 3.41Å; I304-N326 WeakPolarHBondContact CG1-OD1 3.24Å; I304-N326 PolarHBondContact N-OD1 3.3Å; I304-N327 CarbonylContact O-C 3.57Å; I304-N327 WeakPolarHBondContact O-CA 3.07Å; I304-N327 PolarHBondContact O-N 3.36Å; I304-L328 HydrophobicContact CG2-CD2 3.98Å; I304-L328 PolarHBondContact O-N 2.91Å
305	G	96.8	Very high	94.4	Very high	37 Å²	37	28.5 Å²	28.5	38%	0.381	17%	0.17	S	C	.	.			trans	-108.1	-15.4	174.8	0	0	0	0	0	113.8	S281 G303	S281-G305 PolarHBondContact O-N 2.88Å; G303-G305 PolarHBondContact O-N 2.85Å; G303-G305 VanDerWaalsContact O-N 3.12Å
306	F	95.8	Very high	93.9	Very high	89 Å²	89	27.4 Å²	27.4	39%	0.39	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.5	-176.5	178.7	-101.8	0	0	0	110.7	Q282 L283 D308 D332	Q282-F306 VanDerWaalsContact CA-O 3.24Å; Q282-F306 WeakPolarHBondContact CA-O 3.46Å; Q282-F306 HydrophobicContact CB-CB 4.42Å; Q282-F306 HydrophobicContact CB-CD1 4.48Å; L283-F306 PolarHBondContact N-O 2.72Å; F306-D308 HydrophobicContact CE1-CB 4.11Å; F306-D332 WeakPolarHBondContact CE2-OD2 3.46Å
307	I	97.2	Very high	93.4	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.7	175.4	-58.8	176.1	0	0	0	106.7	L283 I304 A311 F312 L323 L328 F331 V335	L283-I307 HydrophobicContact CB-CG1 4.48Å; L283-I307 HydrophobicContact CB-CG2 4.21Å; L283-I307 HydrophobicContact CD1-CD1 4.21Å; L283-I307 HydrophobicContact CD1-CG1 3.98Å; L283-I307 HydrophobicContact CD1-CG2 4.1Å; L283-I307 HydrophobicContact CG-CG1 4.32Å; I304-I307 HydrophobicContact CG2-CD1 4.39Å; I304-I307 HydrophobicContact CG2-CG1 3.82Å; I307-A311 HydrophobicContact CG2-CB 3.82Å; I307-F312 HydrophobicContact CD1-CE2 4.31Å; I307-F312 HydrophobicContact CD1-CZ 4.21Å; I307-F312 HydrophobicContact CG2-CD2 4.36Å; I307-F312 HydrophobicContact CG2-CE2 3.78Å; I307-F312 HydrophobicContact CG2-CZ 4.1Å; I307-L323 HydrophobicContact CD1-CD1 4.03Å; I307-L323 HydrophobicContact CD1-CD2 4.15Å; I307-L328 HydrophobicContact CD1-CD1 4.12Å; I307-L328 HydrophobicContact CD1-CD2 3.92Å; I307-L328 HydrophobicContact CG1-CD2 3.99Å; I307-F331 HydrophobicContact CD1-CE1 4.25Å; I307-V335 HydrophobicContact CB-CG1 4.18Å; I307-V335 HydrophobicContact CG2-CG1 3.56Å
308	D	95.6	Very high	93.3	Very high	40 Å²	40	27.6 Å²	27.6	21%	0.214	17%	0.172	C	C	.	.			trans	-64.1	141.7	175.4	-169.5	-77.3	0	0	0	111.1	L283 P285 F306 A310 A311	L283-D308 WeakPolarHBondContact O-CB 3.04Å; L283-D308 PolarHBondContact O-N 2.93Å; L283-D308 VanDerWaalsContact O-N 3.07Å; P285-D308 HydrophobicContact CG-CB 4.24Å; P285-D308 VanDerWaalsContact CG-CG 3.49Å; P285-D308 WeakPolarHBondContact CG-OD2 3.22Å; F306-D308 HydrophobicContact CE1-CB 4.11Å; D308-A310 PolarHBondContact O-N 3.24Å; D308-A310 VanDerWaalsContact O-N 3.1Å; D308-A310 PolarHBondContact OD1-N 3.37Å; D308-A311 HydrophobicContact CB-CB 4.31Å; D308-A311 WeakPolarHBondContact O-CB 3.34Å; D308-A311 PolarHBondContact O-N 3.4Å
309	P	91.6	Very high	93.1	Very high	56 Å²	56	28.3 Å²	28.3	36%	0.364	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.8	177.4	-28.8	36.3	0	0	0	114.7	D332 V335	P309-D332 HydrophobicContact CG-CB 4.48Å; P309-V335 HydrophobicContact CB-CG2 4.47Å; P309-V335 HydrophobicContact CG-CG2 4.36Å
310	A	90	Very high	93.1	Very high	32 Å²	32	30.3 Å²	30.3	26%	0.264	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.9	177.3	0	0	0	0	0	113.4	P285 K286 D308 L313	P285-A310 HydrophobicContact CB-CB 4.02Å; K286-A310 PolarHBondContact N-O 3.23Å; D308-A310 PolarHBondContact O-N 3.24Å; D308-A310 VanDerWaalsContact O-N 3.1Å; D308-A310 PolarHBondContact OD1-N 3.37Å; A310-L313 WeakPolarHBondContact O-CB 3.42Å; A310-L313 PolarHBondContact O-N 2.95Å
311	A	93.5	Very high	93.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-43.9	-176.7	0	0	0	0	0	112.6	L283 R284 F288 I307 D308 L313	L283-A311 HydrophobicContact CB-CB 3.82Å; R284-A311 WeakPolarHBondContact O-CA 3.31Å; F288-A311 WeakPolarHBondContact CD2-O 3.37Å; I307-A311 HydrophobicContact CG2-CB 3.82Å; D308-A311 HydrophobicContact CB-CB 4.31Å; D308-A311 WeakPolarHBondContact O-CB 3.34Å; D308-A311 PolarHBondContact O-N 3.4Å; A311-L313 VanDerWaalsContact C-N 3.28Å; A311-L313 PolarHBondContact O-N 3.34Å
312	F	93.2	Very high	93.1	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.3	-179.5	-59.9	-50.4	0	0	0	114	L283 F288 L297 L299 I307 G314 L315 L321 V335 L339	L283-F312 HydrophobicContact CD1-CE1 3.74Å; L283-F312 HydrophobicContact CD1-CZ 3.73Å; F288-F312 HydrophobicContact CD2-CD1 4.11Å; F288-F312 HydrophobicContact CE2-CD1 4.14Å; F288-F312 HydrophobicContact CE2-CE1 4.15Å; L297-F312 HydrophobicContact CD2-CD1 4.46Å; L297-F312 HydrophobicContact CD2-CE1 4.14Å; L299-F312 HydrophobicContact CD1-CE1 4.25Å; I307-F312 HydrophobicContact CD1-CE2 4.31Å; I307-F312 HydrophobicContact CD1-CZ 4.21Å; I307-F312 HydrophobicContact CG2-CD2 4.36Å; I307-F312 HydrophobicContact CG2-CE2 3.78Å; I307-F312 HydrophobicContact CG2-CZ 4.1Å; F312-G314 PolarHBondContact O-N 3.18Å; F312-L315 HydrophobicContact CB-CD1 4.1Å; F312-L315 HydrophobicContact CD1-CD1 3.74Å; F312-L315 HydrophobicContact CG-CD1 4.32Å; F312-L315 WeakPolarHBondContact O-CB 3.34Å; F312-L315 PolarHBondContact O-N 3.3Å; F312-L315 VanDerWaalsContact O-N 3.15Å; F312-L321 HydrophobicContact CE2-CD2 4.18Å; F312-L321 HydrophobicContact CZ-CD2 4.04Å; F312-V335 HydrophobicContact CD2-CG1 4.01Å; F312-V335 WeakPolarHBondContact CD2-O 3.33Å; F312-V335 HydrophobicContact CE2-CG1 3.89Å; F312-L339 HydrophobicContact CB-CD2 4.11Å; F312-L339 HydrophobicContact CD2-CD1 4.31Å
313	L	86.4	Confident	93.1	Very high	61 Å²	61	29.6 Å²	29.6	32%	0.319	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	129	176.5	-171.5	69	0	0	0	110.1	K286 A310 A311 D338	K286-L313 HydrophobicContact CG-CD2 4.1Å; A310-L313 WeakPolarHBondContact O-CB 3.42Å; A310-L313 PolarHBondContact O-N 2.95Å; A311-L313 VanDerWaalsContact C-N 3.28Å; A311-L313 PolarHBondContact O-N 3.34Å; L313-D338 WeakPolarHBondContact CD1-OD2 3.42Å
314	G	78.3	Confident	93.2	Very high	12 Å²	12	28.7 Å²	28.7	12%	0.124	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	100	-16.9	-178.8	0	0	0	0	0	114.9	H292 F312 T316	H292-G314 PolarHBondContact ND1-O 2.93Å; F312-G314 PolarHBondContact O-N 3.18Å; G314-T316 PolarHBondContact O-N 3.28Å
315	L	90.4	Very high	93.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.186	C	C	.	.			trans	-79	48.3	179.9	-63.5	-174	0	0	0	113.7	F288 A291 L294 L297 F312 H317 L318 L339	F288-L315 HydrophobicContact CB-CD1 4.03Å; F288-L315 HydrophobicContact CB-CD2 3.68Å; F288-L315 HydrophobicContact CB-CG 3.82Å; F288-L315 HydrophobicContact CD2-CD1 4.14Å; F288-L315 HydrophobicContact CG-CD1 4.09Å; F288-L315 HydrophobicContact CG-CD2 4.38Å; F288-L315 HydrophobicContact CG-CG 4.43Å; A291-L315 HydrophobicContact CB-CD2 4.23Å; L294-L315 HydrophobicContact CB-CD2 3.98Å; L294-L315 HydrophobicContact CD2-CD2 3.65Å; L294-L315 HydrophobicContact CG-CD2 4.39Å; L297-L315 HydrophobicContact CD2-CD1 3.92Å; F312-L315 HydrophobicContact CB-CD1 4.1Å; F312-L315 HydrophobicContact CD1-CD1 3.74Å; F312-L315 HydrophobicContact CG-CD1 4.32Å; F312-L315 WeakPolarHBondContact O-CB 3.34Å; F312-L315 PolarHBondContact O-N 3.3Å; F312-L315 VanDerWaalsContact O-N 3.15Å; L315-H317 PolarHBondContact O-N 3.03Å; L315-H317 VanDerWaalsContact O-N 3.12Å; L315-L318 HydrophobicContact CB-CB 4.18Å; L315-L318 HydrophobicContact CD1-CD2 4.1Å; L315-L318 WeakPolarHBondContact O-CB 3.36Å; L315-L318 PolarHBondContact O-N 3.09Å; L315-L339 HydrophobicContact CB-CD2 4Å
316	T	83.6	Confident	93.2	Very high	54 Å²	54	31.3 Å²	31.3	33%	0.331	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.7	-171	56.2	0	0	0	0	115.2	G314 F341	G314-T316 PolarHBondContact O-N 3.28Å; T316-F341 WeakPolarHBondContact O-CD2 3.33Å; T316-F341 WeakPolarHBondContact O-CE2 3.44Å
317	H	88.1	Confident	93.3	Very high	77 Å²	77	31.2 Å²	31.2	36%	0.356	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	11.5	178	-62.5	97.6	0	0	0	113.3	H292 L294 L315 E319	H292-H317 PolarHBondContact O-ND1 3.43Å; L294-H317 CarbonylContact O-C 3.48Å; L315-H317 PolarHBondContact O-N 3.03Å; L315-H317 VanDerWaalsContact O-N 3.12Å; H317-E319 WeakPolarHBondContact O-CG 3.33Å; H317-E319 PolarHBondContact O-N 3.43Å
318	L	95.1	Very high	93.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.			trans	-65.3	123.9	-175.8	-164.4	74	0	0	0	110.6	L294 L297 L315 L321 L339 F341 L342	L294-L318 HydrophobicContact CD2-CD1 4.12Å; L294-L318 HydrophobicContact CG-CD1 4.09Å; L294-L318 WeakPolarHBondContact O-CA 3.5Å; L294-L318 PolarHBondContact O-N 3.33Å; L297-L318 HydrophobicContact CB-CD1 3.81Å; L315-L318 HydrophobicContact CB-CB 4.18Å; L315-L318 HydrophobicContact CD1-CD2 4.1Å; L315-L318 WeakPolarHBondContact O-CB 3.36Å; L315-L318 PolarHBondContact O-N 3.09Å; L318-L321 HydrophobicContact CD2-CB 4.07Å; L318-L321 HydrophobicContact CD2-CD1 4.48Å; L318-L321 HydrophobicContact CD2-CD2 4.47Å; L318-L339 HydrophobicContact CB-CD2 4.22Å; L318-L339 HydrophobicContact CD2-CD1 4.39Å; L318-L339 HydrophobicContact CD2-CD2 3.92Å; L318-F341 CarbonylContact O-C 3.52Å; L318-L342 HydrophobicContact CD2-CD1 4.2Å; L318-L342 HydrophobicContact CG-CD1 4.32Å; L318-L342 VanDerWaalsContact O-CA 3.3Å; L318-L342 WeakPolarHBondContact O-CA 3.34Å; L318-L342 PolarHBondContact O-N 2.69Å; L318-L342 VanDerWaalsContact O-N 3.13Å
319	E	93.3	Very high	93.4	Very high	44 Å²	44	32.6 Å²	32.6	21%	0.206	18%	0.179	C	C	.	.			trans	-105.7	-31.1	-179.4	-56.7	-171.8	-152.4	0	0	111.4	K295 H317 K343 L344	K295-E319 HydrophobicContact CB-CG 4.4Å; K295-E319 IonicContact NZ-OE1 3.56Å; K295-E319 PolarHBondContact NZ-OE1 3.44Å; K295-E319 PolarHBondContact O-N 3.03Å; H317-E319 WeakPolarHBondContact O-CG 3.33Å; H317-E319 PolarHBondContact O-N 3.43Å; E319-K343 HydrophobicContact CB-CD 4.43Å; E319-K343 WeakPolarHBondContact O-CA 3.38Å; E319-K343 PolarHBondContact O-N 3.36Å; E319-K343 IonicContact OE2-NZ 3.39Å; E319-K343 PolarHBondContact OE2-NZ 3Å; E319-L344 PolarHBondContact O-N 3.33Å
320	E	97.3	Very high	93.6	Very high	43 Å²	43	31.7 Å²	31.7	20%	0.201	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.3	-174.9	-52.3	-179.4	-170.8	0	0	111.2	K295 K296 L297 L344 W346	K295-E320 PolarHBondContact O-N 3.16Å; K296-E320 WeakPolarHBondContact CA-O 3.38Å; K296-E320 WeakPolarHBondContact CE-OE1 3.3Å; K296-E320 WeakPolarHBondContact CE-OE2 3.45Å; K296-E320 HydrophobicContact CG-CB 4.14Å; K296-E320 HydrophobicContact CG-CG 4.22Å; K296-E320 IonicContact NZ-OE1 3.72Å; K296-E320 PolarHBondContact NZ-OE1 3.27Å; K296-E320 IonicContact NZ-OE2 3.36Å; K296-E320 PolarHBondContact NZ-OE2 2.99Å; L297-E320 PolarHBondContact N-O 3.37Å; E320-L344 WeakPolarHBondContact CA-O 3.48Å; E320-L344 HydrophobicContact CB-CB 4.32Å; E320-L344 HydrophobicContact CG-CB 4.12Å; E320-L344 HydrophobicContact CG-CD1 3.88Å; E320-L344 HydrophobicContact CG-CG 4.19Å; E320-W346 HydrophobicContact CB-CH2 4.14Å; E320-W346 HydrophobicContact CB-CZ3 3.94Å; E320-W346 HydrophobicContact CG-CH2 4.49Å
321	L	98.2	Very high	93.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.5	177.6	178.4	56.7	0	0	0	110.7	L297 L299 F312 L318 L323 L339 L342 L344 L345 W346	L297-L321 HydrophobicContact CB-CD1 4.02Å; L297-L321 HydrophobicContact CD2-CD1 3.95Å; L297-L321 HydrophobicContact CG-CD1 3.93Å; L297-L321 WeakPolarHBondContact O-CA 3.44Å; L299-L321 HydrophobicContact CD1-CD1 4.4Å; F312-L321 HydrophobicContact CE2-CD2 4.18Å; F312-L321 HydrophobicContact CZ-CD2 4.04Å; L318-L321 HydrophobicContact CD2-CB 4.07Å; L318-L321 HydrophobicContact CD2-CD1 4.48Å; L318-L321 HydrophobicContact CD2-CD2 4.47Å; L321-L323 HydrophobicContact CD1-CG 4.17Å; L321-L323 HydrophobicContact CD2-CD1 3.87Å; L321-L323 HydrophobicContact CD2-CG 4.39Å; L321-L323 HydrophobicContact CG-CD1 4.09Å; L321-L323 HydrophobicContact CG-CG 4.07Å; L321-L339 HydrophobicContact CD2-CD1 4.11Å; L321-L342 HydrophobicContact CB-CD1 3.85Å; L321-L344 PolarHBondContact N-O 3.17Å; L321-L345 HydrophobicContact CB-CD1 4.01Å; L321-L345 HydrophobicContact CD2-CD1 3.94Å; L321-L345 HydrophobicContact CG-CD1 3.97Å; L321-L345 WeakPolarHBondContact O-CA 3.42Å; L321-W346 PolarHBondContact O-N 2.96Å
322	D	98.4	Very high	93.8	Very high	28 Å²	28	33.6 Å²	33.6	15%	0.15	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.6	174	-160.2	-22.8	0	0	0	111.4	L297 N298 L299 S300 S324 W346	L297-D322 PolarHBondContact O-N 3.01Å; N298-D322 HydrophobicContact CB-CB 4.46Å; L299-D322 CarbonylContact C-O 3.59Å; L299-D322 WeakPolarHBondContact CA-O 3.31Å; L299-D322 WeakPolarHBondContact CB-O 3.1Å; L299-D322 PolarHBondContact N-O 2.89Å; S300-D322 PolarHBondContact N-O 2.92Å; D322-S324 VanDerWaalsContact OD1-CB 3.24Å; D322-S324 WeakPolarHBondContact OD1-CB 3.23Å; D322-S324 PolarHBondContact OD1-N 2.81Å; D322-S324 PolarHBondContact OD1-OG 3.25Å; D322-W346 HydrophobicContact CB-CB 4.39Å; D322-W346 HydrophobicContact CB-CD2 4.35Å; D322-W346 HydrophobicContact CB-CE3 3.52Å; D322-W346 HydrophobicContact CB-CZ3 4.19Å; D322-W346 WeakPolarHBondContact OD1-CB 3.41Å
323	L	98.3	Very high	93.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.			trans	-116.9	15.5	174.4	-72.5	167.6	0	0	0	111.5	L299 I304 I307 L321 N326 L328 F331 W346 L347 N350	L299-L323 HydrophobicContact CB-CD2 3.91Å; L299-L323 HydrophobicContact CD1-CD2 4.06Å; I304-L323 HydrophobicContact CD1-CD2 4.39Å; I307-L323 HydrophobicContact CD1-CD1 4.03Å; I307-L323 HydrophobicContact CD1-CD2 4.15Å; L321-L323 HydrophobicContact CD1-CG 4.17Å; L321-L323 HydrophobicContact CD2-CD1 3.87Å; L321-L323 HydrophobicContact CD2-CG 4.39Å; L321-L323 HydrophobicContact CG-CD1 4.09Å; L321-L323 HydrophobicContact CG-CG 4.07Å; L323-N326 PolarHBondContact O-ND2 2.84Å; L323-L328 HydrophobicContact CB-CD1 4.12Å; L323-L328 HydrophobicContact CD1-CD1 4.29Å; L323-L328 HydrophobicContact CD2-CD1 4.46Å; L323-F331 HydrophobicContact CD1-CE1 4.11Å; L323-F331 HydrophobicContact CD1-CZ 3.64Å; L323-W346 CarbonylContact C-O 3.19Å; L323-W346 PolarHBondContact N-O 2.9Å; L323-L347 HydrophobicContact CB-CD2 4.32Å; L323-N350 PolarHBondContact O-ND2 2.91Å
324	S	97.8	Very high	93.5	Very high	16 Å²	16	39.4 Å²	39.4	11%	0.112	20%	0.2	C	C	.	.			trans	-65.4	153.7	-177.5	62.8	0	0	0	0	112.8	S300 S301 D322 N326 W346 R348	S300-S324 CarbonylContact C-O 3.52Å; S300-S324 WeakPolarHBondContact CA-O 3.17Å; S300-S324 VanDerWaalsContact CB-O 3.31Å; S300-S324 WeakPolarHBondContact CB-O 3.31Å; S300-S324 WeakPolarHBondContact CB-OG 2.97Å; S301-S324 PolarHBondContact N-O 3.32Å; D322-S324 VanDerWaalsContact OD1-CB 3.24Å; D322-S324 WeakPolarHBondContact OD1-CB 3.23Å; D322-S324 PolarHBondContact OD1-N 2.81Å; D322-S324 PolarHBondContact OD1-OG 3.25Å; S324-N326 PolarHBondContact O-ND2 3.2Å; S324-W346 PolarHBondContact N-O 2.61Å; S324-R348 CarbonylContact C-O 3.58Å; S324-R348 WeakPolarHBondContact CA-O 3.43Å; S324-R348 WeakPolarHBondContact CB-O 3.4Å
325	N	97.7	Very high	94.2	Very high	80 Å²	80	39 Å²	39	43%	0.428	20%	0.195	S	C	.	.	S	Bend	trans	54.9	56.1	179.2	-167.3	36.5	0	0	0	112.2	S301 N302 R348 D349	S301-N325 WeakPolarHBondContact CA-O 3.41Å; S301-N325 PolarHBondContact N-O 3.15Å; S301-N325 VanDerWaalsContact N-O 3.17Å; S301-N325 PolarHBondContact OG-ND2 3.45Å; N302-N325 PolarHBondContact N-O 3.28Å; N325-R348 PolarHBondContact N-O 3.29Å; N325-D349 VanDerWaalsContact CA-O 3.31Å; N325-D349 WeakPolarHBondContact CA-O 3.26Å; N325-D349 HydrophobicContact CB-CB 4.12Å
326	N	98.4	Very high	94.3	Very high	11 Å²	11	39 Å²	39	6%	0.059	19%	0.194	C	C	.	.	S	Bend	trans	-126.5	-170.7	175.4	-87.1	-73.5	0	0	0	109.4	L299 N302 I304 L323 S324 L328 N350 P351	L299-N326 PolarHBondContact O-ND2 2.89Å; N302-N326 VanDerWaalsContact CA-OD1 3.31Å; N302-N326 WeakPolarHBondContact CA-OD1 3.06Å; N302-N326 WeakPolarHBondContact CB-OD1 2.92Å; N302-N326 PolarHBondContact N-OD1 2.91Å; N302-N326 PolarHBondContact O-OD1 3.29Å; I304-N326 HydrophobicContact CB-CB 4.32Å; I304-N326 WeakPolarHBondContact CB-OD1 3.41Å; I304-N326 WeakPolarHBondContact CG1-OD1 3.24Å; I304-N326 PolarHBondContact N-OD1 3.3Å; L323-N326 PolarHBondContact O-ND2 2.84Å; S324-N326 PolarHBondContact O-ND2 3.2Å; N326-L328 HydrophobicContact CB-CG 4.36Å; N326-N350 VanDerWaalsContact CA-OD1 3.27Å; N326-N350 WeakPolarHBondContact CA-OD1 3.37Å; N326-N350 WeakPolarHBondContact CB-OD1 3.43Å; N326-N350 PolarHBondContact N-OD1 3.4Å; N326-N350 PolarHBondContact O-OD1 3.24Å; N326-N350 VanDerWaalsContact O-OD1 3.1Å; N326-P351 WeakPolarHBondContact O-CD 3.12Å
327	N	97.8	Very high	94.2	Very high	87 Å²	87	41.1 Å²	41.1	47%	0.465	20%	0.201	S	C	.	.			trans	-109	27.5	-179.7	-161.9	43.4	0	0	0	112.5	I304 N350	I304-N327 CarbonylContact O-C 3.57Å; I304-N327 WeakPolarHBondContact O-CA 3.07Å; I304-N327 PolarHBondContact O-N 3.36Å; N327-N350 PolarHBondContact N-OD1 3.28Å
328	L	97.7	Very high	93.8	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.197	C	C	.	.			trans	-73	131.6	-178.3	-63.2	169.6	0	0	0	110.6	I304 I307 L323 N326 F331 N350 P351 W352	I304-L328 HydrophobicContact CG2-CD2 3.98Å; I304-L328 PolarHBondContact O-N 2.91Å; I307-L328 HydrophobicContact CD1-CD1 4.12Å; I307-L328 HydrophobicContact CD1-CD2 3.92Å; I307-L328 HydrophobicContact CG1-CD2 3.99Å; L323-L328 HydrophobicContact CB-CD1 4.12Å; L323-L328 HydrophobicContact CD1-CD1 4.29Å; L323-L328 HydrophobicContact CD2-CD1 4.46Å; N326-L328 HydrophobicContact CB-CG 4.36Å; L328-F331 HydrophobicContact CD1-CE2 4.38Å; L328-F331 HydrophobicContact CD1-CZ 4.41Å; L328-N350 HydrophobicContact CB-CB 4.36Å; L328-N350 WeakPolarHBondContact CB-OD1 3.03Å; L328-N350 PolarHBondContact N-OD1 3.35Å; L328-P351 CarbonylContact O-C 3.56Å; L328-P351 VanDerWaalsContact O-CD 3.22Å; L328-P351 WeakPolarHBondContact O-CD 3.28Å; L328-W352 HydrophobicContact CB-CH2 3.55Å; L328-W352 HydrophobicContact CB-CZ2 4.39Å; L328-W352 HydrophobicContact CB-CZ3 3.75Å; L328-W352 HydrophobicContact CD1-CH2 3.99Å; L328-W352 HydrophobicContact CG-CH2 4.42Å
329	Q	96.9	Very high	93.4	Very high	76 Å²	76	40.1 Å²	40.1	36%	0.355	20%	0.198	S	C	.	.			trans	-103.9	-28.4	175.3	-65.7	-178.2	39.4	0	0	112.3	P351 R353	Q329-P351 HydrophobicContact CG-CG 4.18Å; Q329-R353 HydrophobicContact CB-CB 3.96Å; Q329-R353 PolarHBondContact O-N 3.47Å
330	N	95.1	Very high	92.9	Very high	38 Å²	38	45 Å²	45	20%	0.203	22%	0.216	C	C	.	.			trans	-161.4	-177.7	177.3	62.1	74	0	0	0	109.3	N357 I358	N330-N357 HydrophobicContact CB-CB 4.02Å; N330-I358 HydrophobicContact CB-CD1 4.3Å
331	F	95.4	Very high	92.3	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.031	23%	0.231	C	C	.	.			trans	-118	133.6	166.3	-80	-114.9	0	0	0	108.2	I307 L323 L328 V335 L336 L347 W352 Y360 L361	I307-F331 HydrophobicContact CD1-CE1 4.25Å; L323-F331 HydrophobicContact CD1-CE1 4.11Å; L323-F331 HydrophobicContact CD1-CZ 3.64Å; L328-F331 HydrophobicContact CD1-CE2 4.38Å; L328-F331 HydrophobicContact CD1-CZ 4.41Å; F331-V335 HydrophobicContact CD1-CB 3.97Å; F331-V335 HydrophobicContact CD1-CG1 3.52Å; F331-V335 HydrophobicContact CE1-CG1 3.94Å; F331-L336 HydrophobicContact CD1-CD1 4.06Å; F331-L336 HydrophobicContact CD1-CD2 4.13Å; F331-L336 HydrophobicContact CD1-CG 3.87Å; F331-L336 HydrophobicContact CE1-CD1 4.14Å; F331-L336 HydrophobicContact CE1-CD2 3.72Å; F331-L336 HydrophobicContact CE1-CG 3.97Å; F331-L347 HydrophobicContact CE2-CD2 3.97Å; F331-L347 HydrophobicContact CZ-CD2 4.01Å; F331-W352 HydrophobicContact CD2-CH2 4.09Å; F331-W352 AromaticContact CD2-CZ3 3.95Å; F331-W352 HydrophobicContact CD2-CZ3 3.95Å; F331-W352 AromaticContact CE2-CH2 3.54Å; F331-W352 HydrophobicContact CE2-CH2 3.54Å; F331-W352 AromaticContact CE2-CZ3 3.89Å; F331-W352 HydrophobicContact CE2-CZ3 3.89Å; F331-Y360 HydrophobicContact CB-CD1 3.84Å; F331-Y360 HydrophobicContact CB-CE1 3.9Å; F331-Y360 WeakPolarHBondContact O-CD1 3.43Å; F331-L361 HydrophobicContact CD2-CD1 4.05Å; F331-L361 HydrophobicContact CD2-CD2 3.74Å; F331-L361 HydrophobicContact CD2-CG 4.33Å; F331-L361 HydrophobicContact CE2-CD1 4.22Å; F331-L361 HydrophobicContact CE2-CD2 4.01Å; F331-L361 HydrophobicContact CG-CD1 4.42Å
332	D	92.1	Very high	92	Very high	65 Å²	65	49 Å²	49	35%	0.348	23%	0.233	S	C	.	.			trans	-68.3	156.3	169	-74.4	-27.2	0	0	0	110.7	F306 P309 G334 V335 Y360	F306-D332 WeakPolarHBondContact CE2-OD2 3.46Å; P309-D332 HydrophobicContact CG-CB 4.48Å; D332-G334 PolarHBondContact O-N 3.04Å; D332-V335 HydrophobicContact CB-CG2 4.11Å; D332-V335 VanDerWaalsContact O-CG2 3.27Å; D332-V335 WeakPolarHBondContact O-CG2 3.46Å; D332-V335 PolarHBondContact O-N 3.33Å; D332-Y360 WeakPolarHBondContact O-CD1 3.4Å; D332-Y360 WeakPolarHBondContact O-CE1 3.43Å
333	Y	88.6	Confident	91.5	Very high	174 Å²	174	52.4 Å²	52.4	68%	0.682	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	136.5	176.3	-176.1	-90.2	0	0	0	111.1	Y360	Y333-Y360 AromaticContact CD2-CD2 3.7Å; Y333-Y360 HydrophobicContact CD2-CD2 3.7Å; Y333-Y360 AromaticContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CE2-CD2 4.37Å; Y333-Y360 HydrophobicContact CE2-CE2 4.38Å; Y333-Y360 HydrophobicContact CG-CD2 4.42Å; Y333-Y360 HydrophobicContact CG-CE2 4.45Å
334	G	84.8	Confident	91.2	Very high	12 Å²	12	54.7 Å²	54.7	12%	0.124	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-16.2	176.7	0	0	0	0	0	115.2	D332 L336 E337 Y360	D332-G334 PolarHBondContact O-N 3.04Å; G334-L336 VanDerWaalsContact C-N 3.26Å; G334-L336 PolarHBondContact O-N 2.97Å; G334-L336 VanDerWaalsContact O-N 3.15Å; G334-E337 WeakPolarHBondContact O-CB 3.26Å; G334-E337 PolarHBondContact O-N 2.89Å; G334-E337 VanDerWaalsContact O-N 3.1Å; G334-Y360 PolarHBondContact N-OH 3.28Å
335	V	93.3	Very high	91.2	Very high	3 Å²	3	54 Å²	54	2%	0.018	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.3	-176	173.6	0	0	0	0	113.2	I307 P309 F312 F331 D332 Y360	I307-V335 HydrophobicContact CB-CG1 4.18Å; I307-V335 HydrophobicContact CG2-CG1 3.56Å; P309-V335 HydrophobicContact CB-CG2 4.47Å; P309-V335 HydrophobicContact CG-CG2 4.36Å; F312-V335 HydrophobicContact CD2-CG1 4.01Å; F312-V335 WeakPolarHBondContact CD2-O 3.33Å; F312-V335 HydrophobicContact CE2-CG1 3.89Å; F331-V335 HydrophobicContact CD1-CB 3.97Å; F331-V335 HydrophobicContact CD1-CG1 3.52Å; F331-V335 HydrophobicContact CE1-CG1 3.94Å; D332-V335 HydrophobicContact CB-CG2 4.11Å; D332-V335 VanDerWaalsContact O-CG2 3.27Å; D332-V335 WeakPolarHBondContact O-CG2 3.46Å; D332-V335 PolarHBondContact O-N 3.33Å; V335-Y360 PolarHBondContact N-OH 2.83Å
336	L	91.8	Very high	91.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	4.7	-178	-60.7	174.5	0	0	0	113.5	F331 G334 D338 L339 L345 Y360 L361 W364	F331-L336 HydrophobicContact CD1-CD1 4.06Å; F331-L336 HydrophobicContact CD1-CD2 4.13Å; F331-L336 HydrophobicContact CD1-CG 3.87Å; F331-L336 HydrophobicContact CE1-CD1 4.14Å; F331-L336 HydrophobicContact CE1-CD2 3.72Å; F331-L336 HydrophobicContact CE1-CG 3.97Å; G334-L336 VanDerWaalsContact C-N 3.26Å; G334-L336 PolarHBondContact O-N 2.97Å; G334-L336 VanDerWaalsContact O-N 3.15Å; L336-D338 VanDerWaalsContact C-N 3.35Å; L336-D338 PolarHBondContact O-N 2.68Å; L336-L339 HydrophobicContact CD2-CD1 3.71Å; L336-L339 PolarHBondContact O-N 2.98Å; L336-L345 HydrophobicContact CD1-CD2 4.42Å; L336-Y360 PolarHBondContact N-OH 3.1Å; L336-Y360 VanDerWaalsContact N-OH 3.11Å; L336-L361 HydrophobicContact CD1-CD1 3.81Å; L336-W364 HydrophobicContact CB-CD2 3.99Å; L336-W364 HydrophobicContact CB-CG 4.37Å; L336-W364 HydrophobicContact CB-CH2 4.45Å; L336-W364 HydrophobicContact CB-CZ2 3.83Å; L336-W364 HydrophobicContact CD1-CD2 3.91Å; L336-W364 HydrophobicContact CD1-CE3 3.81Å; L336-W364 HydrophobicContact CD1-CG 4.43Å; L336-W364 HydrophobicContact CD1-CZ3 4.14Å; L336-W364 PolarHBondContact O-NE1 3.06Å
337	E	82.7	Confident	91.2	Very high	100 Å²	100	53.1 Å²	53.1	47%	0.467	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-34.2	-167.9	-167.1	162.2	-177.8	0	0	113.1	G334	G334-E337 WeakPolarHBondContact O-CB 3.26Å; G334-E337 PolarHBondContact O-N 2.89Å; G334-E337 VanDerWaalsContact O-N 3.1Å
338	D	78.6	Confident	91	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.7	-178.9	-72.8	-41	0	0	0	114.8	L313 L336 Y340	L313-D338 WeakPolarHBondContact CD1-OD2 3.42Å; L336-D338 VanDerWaalsContact C-N 3.35Å; L336-D338 PolarHBondContact O-N 2.68Å; D338-Y340 VanDerWaalsContact C-N 3.31Å; D338-Y340 HydrophobicContact CB-CE2 4.25Å; D338-Y340 WeakPolarHBondContact O-CD2 3.24Å; D338-Y340 VanDerWaalsContact O-CE2 3.31Å; D338-Y340 WeakPolarHBondContact O-CE2 3.43Å; D338-Y340 PolarHBondContact O-N 2.57Å; D338-Y340 VanDerWaalsContact O-N 3.15Å; D338-Y340 PolarHBondContact OD1-OH 3.47Å
339	L	87.8	Confident	90.9	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	27%	0.272	C	S	.	.			trans	-91.1	54.8	-176.1	-60	-175.7	0	0	0	112.6	F312 L315 L318 L321 L336 F341 L342	F312-L339 HydrophobicContact CB-CD2 4.11Å; F312-L339 HydrophobicContact CD2-CD1 4.31Å; L315-L339 HydrophobicContact CB-CD2 4Å; L318-L339 HydrophobicContact CB-CD2 4.22Å; L318-L339 HydrophobicContact CD2-CD1 4.39Å; L318-L339 HydrophobicContact CD2-CD2 3.92Å; L321-L339 HydrophobicContact CD2-CD1 4.11Å; L336-L339 HydrophobicContact CD2-CD1 3.71Å; L336-L339 PolarHBondContact O-N 2.98Å; L339-F341 VanDerWaalsContact C-N 3.25Å; L339-F341 PolarHBondContact O-N 3.22Å; L339-F341 VanDerWaalsContact O-N 3.11Å; L339-L342 HydrophobicContact CB-CB 4.19Å; L339-L342 HydrophobicContact CD1-CD2 4.26Å; L339-L342 WeakPolarHBondContact O-CB 3.44Å; L339-L342 PolarHBondContact O-N 3.12Å; L339-L342 VanDerWaalsContact O-N 3.17Å
340	Y	81.8	Confident	91	Very high	147 Å²	147	56.8 Å²	56.8	58%	0.576	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.6	-170.4	-54.2	-77	0	0	0	115.5	D338	D338-Y340 VanDerWaalsContact C-N 3.31Å; D338-Y340 HydrophobicContact CB-CE2 4.25Å; D338-Y340 WeakPolarHBondContact O-CD2 3.24Å; D338-Y340 VanDerWaalsContact O-CE2 3.31Å; D338-Y340 WeakPolarHBondContact O-CE2 3.43Å; D338-Y340 PolarHBondContact O-N 2.57Å; D338-Y340 VanDerWaalsContact O-N 3.15Å; D338-Y340 PolarHBondContact OD1-OH 3.47Å
341	F	85.9	Confident	91.1	Very high	120 Å²	120	56.7 Å²	56.7	53%	0.526	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	10.5	-176.3	-64.8	-88	0	0	0	113.7	T316 L318 L339 K343	T316-F341 WeakPolarHBondContact O-CD2 3.33Å; T316-F341 WeakPolarHBondContact O-CE2 3.44Å; L318-F341 CarbonylContact O-C 3.52Å; L339-F341 VanDerWaalsContact C-N 3.25Å; L339-F341 PolarHBondContact O-N 3.22Å; L339-F341 VanDerWaalsContact O-N 3.11Å; F341-K343 PolarHBondContact O-N 3.14Å
342	L	90.7	Very high	91.2	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.042	26%	0.256	C	S	.	.			trans	-61	136.2	-180	-163.1	70.4	0	0	0	109.9	L318 L321 L339 L345 W364 V371	L318-L342 HydrophobicContact CD2-CD1 4.2Å; L318-L342 HydrophobicContact CG-CD1 4.32Å; L318-L342 VanDerWaalsContact O-CA 3.3Å; L318-L342 WeakPolarHBondContact O-CA 3.34Å; L318-L342 PolarHBondContact O-N 2.69Å; L318-L342 VanDerWaalsContact O-N 3.13Å; L321-L342 HydrophobicContact CB-CD1 3.85Å; L339-L342 HydrophobicContact CB-CB 4.19Å; L339-L342 HydrophobicContact CD1-CD2 4.26Å; L339-L342 WeakPolarHBondContact O-CB 3.44Å; L339-L342 PolarHBondContact O-N 3.12Å; L339-L342 VanDerWaalsContact O-N 3.17Å; L342-L345 HydrophobicContact CD2-CB 4.13Å; L342-L345 HydrophobicContact CD2-CD1 4.38Å; L342-L345 HydrophobicContact CD2-CD2 4.42Å; L342-W364 HydrophobicContact CD2-CH2 3.92Å; L342-V371 HydrophobicContact CB-CG2 4.44Å; L342-V371 HydrophobicContact CD2-CG1 4.3Å; L342-V371 WeakPolarHBondContact O-CG2 3.22Å
343	K	89.2	Confident	91.4	Very high	99 Å²	99	58.8 Å²	58.8	43%	0.43	26%	0.26	S	S	.	.			trans	-123.5	-37.6	179.2	-63.3	172.5	-170	164.1	0	111.6	E319 F341 V371 H372	E319-K343 HydrophobicContact CB-CD 4.43Å; E319-K343 WeakPolarHBondContact O-CA 3.38Å; E319-K343 PolarHBondContact O-N 3.36Å; E319-K343 IonicContact OE2-NZ 3.39Å; E319-K343 PolarHBondContact OE2-NZ 3Å; F341-K343 PolarHBondContact O-N 3.14Å; K343-V371 CarbonylContact O-C 3.58Å; K343-V371 WeakPolarHBondContact O-CA 3.11Å; K343-H372 PolarHBondContact O-N 2.02Å
344	L	92.1	Very high	91.7	Very high	48 Å²	48	50.6 Å²	50.6	25%	0.251	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.1	-177.4	-55.6	-178.4	0	0	0	110	E319 E320 L321 W346 H372	E319-L344 PolarHBondContact O-N 3.33Å; E320-L344 WeakPolarHBondContact CA-O 3.48Å; E320-L344 HydrophobicContact CB-CB 4.32Å; E320-L344 HydrophobicContact CG-CB 4.12Å; E320-L344 HydrophobicContact CG-CD1 3.88Å; E320-L344 HydrophobicContact CG-CG 4.19Å; L321-L344 PolarHBondContact N-O 3.17Å; L344-W346 HydrophobicContact CB-CH2 4.08Å; L344-W346 HydrophobicContact CB-CZ2 4.1Å; L344-W346 HydrophobicContact CB-CZ3 4.44Å; L344-W346 HydrophobicContact CD1-CH2 3.91Å; L344-W346 HydrophobicContact CD1-CZ2 3.82Å; L344-H372 WeakPolarHBondContact CA-O 3.31Å; L344-H372 HydrophobicContact CD2-CB 3.9Å
345	L	97.1	Very high	92.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.7	177.5	-178.9	59.3	0	0	0	110.9	L321 L336 L342 L347 L365 V371 H372 Y373 N374	L321-L345 HydrophobicContact CB-CD1 4.01Å; L321-L345 HydrophobicContact CD2-CD1 3.94Å; L321-L345 HydrophobicContact CG-CD1 3.97Å; L321-L345 WeakPolarHBondContact O-CA 3.42Å; L336-L345 HydrophobicContact CD1-CD2 4.42Å; L342-L345 HydrophobicContact CD2-CB 4.13Å; L342-L345 HydrophobicContact CD2-CD1 4.38Å; L342-L345 HydrophobicContact CD2-CD2 4.42Å; L345-L347 HydrophobicContact CD1-CD2 4.02Å; L345-L347 HydrophobicContact CD1-CG 4.44Å; L345-L347 HydrophobicContact CD2-CD1 3.94Å; L345-L347 HydrophobicContact CD2-CD2 4.3Å; L345-L347 HydrophobicContact CD2-CG 4.26Å; L345-L347 HydrophobicContact CG-CD1 4.09Å; L345-L347 HydrophobicContact CG-CD2 3.99Å; L345-L347 HydrophobicContact CG-CG 3.89Å; L345-L365 HydrophobicContact CD2-CD2 4.25Å; L345-V371 HydrophobicContact CB-CG1 3.97Å; L345-H372 PolarHBondContact N-O 3.12Å; L345-Y373 WeakPolarHBondContact O-CA 3.19Å; L345-Y373 WeakPolarHBondContact O-CB 3.42Å; L345-N374 PolarHBondContact O-N 3.23Å
346	W	97.9	Very high	92.1	Very high	74 Å²	74	58.5 Å²	58.5	28%	0.28	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.5	-179.9	-61.5	-68.9	0	0	0	111.6	E320 L321 D322 L323 S324 L344 N374	E320-W346 HydrophobicContact CB-CH2 4.14Å; E320-W346 HydrophobicContact CB-CZ3 3.94Å; E320-W346 HydrophobicContact CG-CH2 4.49Å; L321-W346 PolarHBondContact O-N 2.96Å; D322-W346 HydrophobicContact CB-CB 4.39Å; D322-W346 HydrophobicContact CB-CD2 4.35Å; D322-W346 HydrophobicContact CB-CE3 3.52Å; D322-W346 HydrophobicContact CB-CZ3 4.19Å; D322-W346 WeakPolarHBondContact OD1-CB 3.41Å; L323-W346 CarbonylContact C-O 3.19Å; L323-W346 PolarHBondContact N-O 2.9Å; S324-W346 PolarHBondContact N-O 2.61Å; L344-W346 HydrophobicContact CB-CH2 4.08Å; L344-W346 HydrophobicContact CB-CZ2 4.1Å; L344-W346 HydrophobicContact CB-CZ3 4.44Å; L344-W346 HydrophobicContact CD1-CH2 3.91Å; L344-W346 HydrophobicContact CD1-CZ2 3.82Å; W346-N374 WeakPolarHBondContact CA-OD1 3.39Å
347	L	97.1	Very high	92.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.276	C	S	.	.			trans	-126	5.7	-172.4	-60.5	172.8	0	0	0	113.7	L323 F331 L345 N350 W352 L361 N374 L376	L323-L347 HydrophobicContact CB-CD2 4.32Å; F331-L347 HydrophobicContact CE2-CD2 3.97Å; F331-L347 HydrophobicContact CZ-CD2 4.01Å; L345-L347 HydrophobicContact CD1-CD2 4.02Å; L345-L347 HydrophobicContact CD1-CG 4.44Å; L345-L347 HydrophobicContact CD2-CD1 3.94Å; L345-L347 HydrophobicContact CD2-CD2 4.3Å; L345-L347 HydrophobicContact CD2-CG 4.26Å; L345-L347 HydrophobicContact CG-CD1 4.09Å; L345-L347 HydrophobicContact CG-CD2 3.99Å; L345-L347 HydrophobicContact CG-CG 3.89Å; L347-N350 PolarHBondContact O-ND2 3.14Å; L347-W352 HydrophobicContact CB-CZ2 3.67Å; L347-W352 HydrophobicContact CD1-CZ2 4.49Å; L347-W352 HydrophobicContact CD2-CH2 4.09Å; L347-W352 HydrophobicContact CD2-CZ2 3.86Å; L347-W352 HydrophobicContact CG-CZ2 4.2Å; L347-W352 PolarHBondContact O-NE1 3.33Å; L347-L361 HydrophobicContact CD1-CD1 4.37Å; L347-L361 HydrophobicContact CD1-CD2 4.18Å; L347-N374 CarbonylContact C-O 3.58Å; L347-N374 WeakPolarHBondContact CA-O 3.45Å; L347-N374 VanDerWaalsContact CB-O 3.26Å; L347-N374 WeakPolarHBondContact CB-O 3.28Å; L347-N374 PolarHBondContact N-O 3.45Å; L347-N374 PolarHBondContact N-OD1 3.05Å; L347-L376 HydrophobicContact CD1-CD1 4.16Å
348	R	95.1	Very high	92.6	Very high	129 Å²	129	57.4 Å²	57.4	49%	0.487	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	155.1	179.6	-75.7	-174.5	-58.4	-163.3	2.3	112.6	S324 N325 N350 N374	S324-R348 CarbonylContact C-O 3.58Å; S324-R348 WeakPolarHBondContact CA-O 3.43Å; S324-R348 WeakPolarHBondContact CB-O 3.4Å; N325-R348 PolarHBondContact N-O 3.29Å; R348-N350 PolarHBondContact O-N 3.06Å; R348-N350 PolarHBondContact O-ND2 3.12Å; R348-N374 HydrophobicContact CG-CB 4.36Å; R348-N374 PolarHBondContact NE-ND2 3.2Å
349	D	96	Very high	93.3	Very high	110 Å²	110	55.3 Å²	55.3	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	36.5	170.7	-50.4	-47.4	0	0	0	113.3	N325	N325-D349 VanDerWaalsContact CA-O 3.31Å; N325-D349 WeakPolarHBondContact CA-O 3.26Å; N325-D349 HydrophobicContact CB-CB 4.12Å
350	N	97.8	Very high	93.5	Very high	4 Å²	4	57 Å²	57	2%	0.021	25%	0.249	C	C	.	.			trans	-111.9	147.5	168.2	-81.5	-82	0	0	0	110	L323 N326 N327 L328 L347 R348 W352	L323-N350 PolarHBondContact O-ND2 2.91Å; N326-N350 VanDerWaalsContact CA-OD1 3.27Å; N326-N350 WeakPolarHBondContact CA-OD1 3.37Å; N326-N350 WeakPolarHBondContact CB-OD1 3.43Å; N326-N350 PolarHBondContact N-OD1 3.4Å; N326-N350 PolarHBondContact O-OD1 3.24Å; N326-N350 VanDerWaalsContact O-OD1 3.1Å; N327-N350 PolarHBondContact N-OD1 3.28Å; L328-N350 HydrophobicContact CB-CB 4.36Å; L328-N350 WeakPolarHBondContact CB-OD1 3.03Å; L328-N350 PolarHBondContact N-OD1 3.35Å; L347-N350 PolarHBondContact O-ND2 3.14Å; R348-N350 PolarHBondContact O-N 3.06Å; R348-N350 PolarHBondContact O-ND2 3.12Å; N350-W352 HydrophobicContact CB-CD2 4.14Å; N350-W352 VanDerWaalsContact CB-CE2 3.47Å; N350-W352 HydrophobicContact CB-CH2 4.16Å; N350-W352 HydrophobicContact CB-CZ2 3.46Å; N350-W352 VanDerWaalsContact CB-CZ2 3.46Å; N350-W352 PolarHBondContact O-N 3.37Å
351	P	97.2	Very high	94.1	Very high	35 Å²	35	50 Å²	50	23%	0.227	22%	0.222	C	C	.	.			trans	-77.9	57.9	178.9	34.4	-37.8	0	0	0	112.6	N326 L328 Q329 R353	N326-P351 WeakPolarHBondContact O-CD 3.12Å; L328-P351 CarbonylContact O-C 3.56Å; L328-P351 VanDerWaalsContact O-CD 3.22Å; L328-P351 WeakPolarHBondContact O-CD 3.28Å; Q329-P351 HydrophobicContact CG-CG 4.18Å; P351-R353 PolarHBondContact O-N 3.48Å; P351-R353 VanDerWaalsContact O-N 3.17Å
352	W	97.5	Very high	94.4	Very high	1 Å²	1	46 Å²	46	0%	0.004	20%	0.203	C	C	.	.			trans	-52.9	123.8	-177.9	-60.5	113.8	0	0	0	111.5	L328 F331 L347 N350 I358 L361 G375 L376 K379 T380	L328-W352 HydrophobicContact CB-CH2 3.55Å; L328-W352 HydrophobicContact CB-CZ2 4.39Å; L328-W352 HydrophobicContact CB-CZ3 3.75Å; L328-W352 HydrophobicContact CD1-CH2 3.99Å; L328-W352 HydrophobicContact CG-CH2 4.42Å; F331-W352 HydrophobicContact CD2-CH2 4.09Å; F331-W352 AromaticContact CD2-CZ3 3.95Å; F331-W352 HydrophobicContact CD2-CZ3 3.95Å; F331-W352 AromaticContact CE2-CH2 3.54Å; F331-W352 HydrophobicContact CE2-CH2 3.54Å; F331-W352 AromaticContact CE2-CZ3 3.89Å; F331-W352 HydrophobicContact CE2-CZ3 3.89Å; L347-W352 HydrophobicContact CB-CZ2 3.67Å; L347-W352 HydrophobicContact CD1-CZ2 4.49Å; L347-W352 HydrophobicContact CD2-CH2 4.09Å; L347-W352 HydrophobicContact CD2-CZ2 3.86Å; L347-W352 HydrophobicContact CG-CZ2 4.2Å; L347-W352 PolarHBondContact O-NE1 3.33Å; N350-W352 HydrophobicContact CB-CD2 4.14Å; N350-W352 VanDerWaalsContact CB-CE2 3.47Å; N350-W352 HydrophobicContact CB-CH2 4.16Å; N350-W352 HydrophobicContact CB-CZ2 3.46Å; N350-W352 VanDerWaalsContact CB-CZ2 3.46Å; N350-W352 PolarHBondContact O-N 3.37Å; W352-I358 HydrophobicContact CB-CD1 4.44Å; W352-I358 HydrophobicContact CE3-CD1 3.87Å; W352-L361 HydrophobicContact CE3-CD2 4.38Å; W352-L361 HydrophobicContact CH2-CD2 4.46Å; W352-L361 HydrophobicContact CZ3-CD2 4.13Å; W352-G375 VanDerWaalsContact CD1-O 3.29Å; W352-G375 PolarHBondContact NE1-O 3.31Å; W352-L376 HydrophobicContact CD2-CD1 4.16Å; W352-L376 HydrophobicContact CG-CD1 4.34Å; W352-K379 PolarHBondContact O-N 2.98Å; W352-T380 PolarHBondContact O-N 3.32Å
353	R	96.8	Very high	94.3	Very high	115 Å²	115	49.5 Å²	49.5	43%	0.434	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-97.6	113.1	179.2	-176.5	175.1	-179.5	-162.2	-6.5	108.9	Q329 P351 D355 T380	Q329-R353 HydrophobicContact CB-CB 3.96Å; Q329-R353 PolarHBondContact O-N 3.47Å; P351-R353 PolarHBondContact O-N 3.48Å; P351-R353 VanDerWaalsContact O-N 3.17Å; R353-D355 VanDerWaalsContact C-N 3.32Å; R353-D355 VanDerWaalsContact CD-OD2 3.29Å; R353-D355 WeakPolarHBondContact CD-OD2 3.33Å; R353-D355 HydrophobicContact CG-CB 4.42Å; R353-D355 IonicContact CZ-OD2 2.73Å; R353-D355 VanDerWaalsContact CZ-OD2 3.23Å; R353-D355 IonicContact NE-OD2 2.85Å; R353-D355 PolarHBondContact NE-OD2 3.24Å; R353-D355 IonicContact NH1-OD2 2.88Å; R353-D355 IonicContact NH2-OD2 2.95Å; R353-D355 PolarHBondContact O-N 2.88Å; R353-D355 VanDerWaalsContact O-N 3.07Å; R353-T380 CarbonylContact C-O 3.57Å; R353-T380 WeakPolarHBondContact CA-O 3.25Å; R353-T380 WeakPolarHBondContact CA-OG1 3.44Å; R353-T380 WeakPolarHBondContact CB-OG1 3.29Å; R353-T380 WeakPolarHBondContact CG-OG1 3.33Å
354	C	95.8	Very high	94.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	20%	0.2	C	C	.	.			trans	-85.1	78.7	179.1	-71.5	0	0	0	0	110.5	C378 T380 P381 Y384 Y392	C354-C378 HydrophobicContact CB-CB 3.82Å; C354-C378 WeakPolarHBondContact CB-SG 3.48Å; C354-C378 WeakPolarHBondContact SG-CA 3.1Å; C354-C378 WeakPolarHBondContact SG-CB 3.31Å; C354-C378 CovalentContact SG-SG 2.01Å; C354-C378 PolarHBondContact SG-SG 3.4Å; C354-T380 PolarHBondContact N-O 2.91Å; C354-P381 WeakPolarHBondContact O-CD 3.17Å; C354-Y384 HydrophobicContact CB-CD2 4.48Å; C354-Y392 HydrophobicContact CB-CD1 3.67Å; C354-Y392 HydrophobicContact CB-CD2 4.04Å; C354-Y392 HydrophobicContact CB-CE1 3.94Å; C354-Y392 HydrophobicContact CB-CE2 4.29Å; C354-Y392 HydrophobicContact CB-CG 3.73Å; C354-Y392 VanDerWaalsContact O-CZ 3.24Å; C354-Y392 PolarHBondContact O-OH 2.73Å
355	D	93.6	Very high	94.4	Very high	27 Å²	27	44 Å²	44	14%	0.144	19%	0.19	C	C	.	.	S	Bend	trans	-126.6	-164.7	169.1	67.2	20.3	0	0	0	110.2	R353 N357 I358 H359 Y392	R353-D355 VanDerWaalsContact C-N 3.32Å; R353-D355 VanDerWaalsContact CD-OD2 3.29Å; R353-D355 WeakPolarHBondContact CD-OD2 3.33Å; R353-D355 HydrophobicContact CG-CB 4.42Å; R353-D355 IonicContact CZ-OD2 2.73Å; R353-D355 VanDerWaalsContact CZ-OD2 3.23Å; R353-D355 IonicContact NE-OD2 2.85Å; R353-D355 PolarHBondContact NE-OD2 3.24Å; R353-D355 IonicContact NH1-OD2 2.88Å; R353-D355 IonicContact NH2-OD2 2.95Å; R353-D355 PolarHBondContact O-N 2.88Å; R353-D355 VanDerWaalsContact O-N 3.07Å; D355-N357 PolarHBondContact O-N 3.32Å; D355-N357 WeakPolarHBondContact OD1-CB 3.24Å; D355-N357 PolarHBondContact OD1-N 3.17Å; D355-N357 PolarHBondContact OD1-ND2 3.04Å; D355-N357 VanDerWaalsContact OD1-ND2 3.16Å; D355-I358 VanDerWaalsContact O-CG2 3.31Å; D355-I358 WeakPolarHBondContact O-CG2 3.26Å; D355-I358 PolarHBondContact O-N 3.38Å; D355-H359 PolarHBondContact O-ND1 3.18Å; D355-Y392 VanDerWaalsContact CA-OH 3.24Å; D355-Y392 WeakPolarHBondContact CA-OH 3.11Å
356	Y	91.1	Very high	93.8	Very high	155 Å²	155	50.6 Å²	50.6	61%	0.608	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.7	178.4	-178.2	-102.1	0	0	0	113.5	I358 H359	Y356-I358 VanDerWaalsContact C-N 3.3Å; Y356-I358 PolarHBondContact O-N 3.11Å; Y356-H359 WeakPolarHBondContact O-CB 3.31Å; Y356-H359 PolarHBondContact O-N 3.33Å; Y356-H359 PolarHBondContact O-ND1 3.3Å
357	N	92.3	Very high	93	Very high	76 Å²	76	53.7 Å²	53.7	41%	0.406	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.4	-172.7	-55.2	-56.2	0	0	0	113.2	N330 D355 H359	N330-N357 HydrophobicContact CB-CB 4.02Å; D355-N357 PolarHBondContact O-N 3.32Å; D355-N357 WeakPolarHBondContact OD1-CB 3.24Å; D355-N357 PolarHBondContact OD1-N 3.17Å; D355-N357 PolarHBondContact OD1-ND2 3.04Å; D355-N357 VanDerWaalsContact OD1-ND2 3.16Å; N357-H359 PolarHBondContact O-N 3.4Å
358	I	94.3	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-16.7	178.7	-152.3	64.6	0	0	0	113	N330 W352 D355 Y356 Y360 L361 Y362 V389 Y392 V393	N330-I358 HydrophobicContact CB-CD1 4.3Å; W352-I358 HydrophobicContact CB-CD1 4.44Å; W352-I358 HydrophobicContact CE3-CD1 3.87Å; D355-I358 VanDerWaalsContact O-CG2 3.31Å; D355-I358 WeakPolarHBondContact O-CG2 3.26Å; D355-I358 PolarHBondContact O-N 3.38Å; Y356-I358 VanDerWaalsContact C-N 3.3Å; Y356-I358 PolarHBondContact O-N 3.11Å; I358-Y360 VanDerWaalsContact C-N 3.31Å; I358-Y360 PolarHBondContact O-N 2.93Å; I358-L361 HydrophobicContact CD1-CD2 4.38Å; I358-L361 PolarHBondContact O-N 3.47Å; I358-Y362 PolarHBondContact O-N 3.48Å; I358-V389 HydrophobicContact CB-CG1 4.46Å; I358-V389 HydrophobicContact CG1-CG1 3.61Å; I358-V389 HydrophobicContact CG1-CG2 4.11Å; I358-V389 HydrophobicContact CG2-CG1 3.96Å; I358-Y392 HydrophobicContact CG2-CD1 3.93Å; I358-Y392 HydrophobicContact CG2-CE1 3.78Å; I358-V393 HydrophobicContact CG2-CG2 4.24Å
359	H	91.9	Very high	91.7	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-38.3	-175.1	-73.9	73.9	0	0	0	112.1	D355 Y356 N357 L361 Y362 Y363 Y392 Y396 Y397	D355-H359 PolarHBondContact O-ND1 3.18Å; Y356-H359 WeakPolarHBondContact O-CB 3.31Å; Y356-H359 PolarHBondContact O-N 3.33Å; Y356-H359 PolarHBondContact O-ND1 3.3Å; N357-H359 PolarHBondContact O-N 3.4Å; H359-L361 PolarHBondContact O-N 3.12Å; H359-Y362 PolarHBondContact O-N 3.16Å; H359-Y363 HydrophobicContact CB-CD2 4.09Å; H359-Y363 HydrophobicContact CB-CE2 3.92Å; H359-Y363 AromaticContact CD2-CE2 3.9Å; H359-Y363 WeakPolarHBondContact O-CD2 3.41Å; H359-Y363 PolarHBondContact O-N 3.39Å; H359-Y392 AromaticContact CE1-CE1 3.94Å; H359-Y396 AromaticContact CE1-CD1 3.8Å; H359-Y396 AromaticContact CE1-CG 3.86Å; H359-Y396 AromaticContact NE2-CD1 3.43Å; H359-Y396 WeakPolarHBondContact NE2-CD1 3.4Å; H359-Y396 AromaticContact NE2-CG 3.7Å; H359-Y397 AromaticContact CD2-CE2 3.96Å; H359-Y397 AromaticContact NE2-CE2 3.85Å
360	Y	93	Very high	91	Very high	39 Å²	39	59.4 Å²	59.4	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-55	-54.5	177.2	165.3	-104.9	0	0	0	111.3	F331 D332 Y333 G334 V335 L336 I358 Y362 Y363 W364	F331-Y360 HydrophobicContact CB-CD1 3.84Å; F331-Y360 HydrophobicContact CB-CE1 3.9Å; F331-Y360 WeakPolarHBondContact O-CD1 3.43Å; D332-Y360 WeakPolarHBondContact O-CD1 3.4Å; D332-Y360 WeakPolarHBondContact O-CE1 3.43Å; Y333-Y360 AromaticContact CD2-CD2 3.7Å; Y333-Y360 HydrophobicContact CD2-CD2 3.7Å; Y333-Y360 AromaticContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CE2-CD2 4.37Å; Y333-Y360 HydrophobicContact CE2-CE2 4.38Å; Y333-Y360 HydrophobicContact CG-CD2 4.42Å; Y333-Y360 HydrophobicContact CG-CE2 4.45Å; G334-Y360 PolarHBondContact N-OH 3.28Å; V335-Y360 PolarHBondContact N-OH 2.83Å; L336-Y360 PolarHBondContact N-OH 3.1Å; L336-Y360 VanDerWaalsContact N-OH 3.11Å; I358-Y360 VanDerWaalsContact C-N 3.31Å; I358-Y360 PolarHBondContact O-N 2.93Å; Y360-Y362 VanDerWaalsContact C-N 3.32Å; Y360-Y362 PolarHBondContact O-N 3.36Å; Y360-Y363 PolarHBondContact O-N 3.35Å; Y360-W364 VanDerWaalsContact O-CB 3.29Å; Y360-W364 WeakPolarHBondContact O-CB 3.27Å; Y360-W364 PolarHBondContact O-N 2.96Å
361	L	93.8	Very high	90.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-43.9	-179.1	176.8	60.9	0	0	0	111.4	F331 L336 L347 W352 I358 H359 L365 L376	F331-L361 HydrophobicContact CD2-CD1 4.05Å; F331-L361 HydrophobicContact CD2-CD2 3.74Å; F331-L361 HydrophobicContact CD2-CG 4.33Å; F331-L361 HydrophobicContact CE2-CD1 4.22Å; F331-L361 HydrophobicContact CE2-CD2 4.01Å; F331-L361 HydrophobicContact CG-CD1 4.42Å; L336-L361 HydrophobicContact CD1-CD1 3.81Å; L347-L361 HydrophobicContact CD1-CD1 4.37Å; L347-L361 HydrophobicContact CD1-CD2 4.18Å; W352-L361 HydrophobicContact CE3-CD2 4.38Å; W352-L361 HydrophobicContact CH2-CD2 4.46Å; W352-L361 HydrophobicContact CZ3-CD2 4.13Å; I358-L361 HydrophobicContact CD1-CD2 4.38Å; I358-L361 PolarHBondContact O-N 3.47Å; H359-L361 PolarHBondContact O-N 3.12Å; L361-L365 HydrophobicContact CD1-CD1 4.04Å; L361-L365 HydrophobicContact CD1-CG 4.29Å; L361-L365 HydrophobicContact CG-CD1 4.14Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 3.24Å; L361-L376 HydrophobicContact CD2-CD1 3.47Å; L361-L376 VanDerWaalsContact CD2-CD1 3.47Å; L361-L376 HydrophobicContact CG-CD1 4.29Å
362	Y	93	Very high	90.2	Very high	35 Å²	35	63.8 Å²	63.8	14%	0.137	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-49.4	178.1	174.2	-101.1	0	0	0	112.4	I358 H359 Y360 L365 K366 V393	I358-Y362 PolarHBondContact O-N 3.48Å; H359-Y362 PolarHBondContact O-N 3.16Å; Y360-Y362 VanDerWaalsContact C-N 3.32Å; Y360-Y362 PolarHBondContact O-N 3.36Å; Y362-L365 PolarHBondContact O-N 3.43Å; Y362-K366 PolarHBondContact O-N 3.16Å; Y362-V393 HydrophobicContact CD1-CB 3.85Å; Y362-V393 HydrophobicContact CD1-CG1 3.46Å; Y362-V393 VanDerWaalsContact CD1-CG1 3.46Å; Y362-V393 HydrophobicContact CD1-CG2 3.97Å; Y362-V393 HydrophobicContact CE1-CB 4.02Å; Y362-V393 HydrophobicContact CE1-CG1 3.6Å; Y362-V393 HydrophobicContact CG-CB 4.16Å; Y362-V393 HydrophobicContact CG-CG1 4.23Å; Y362-V393 HydrophobicContact CG-CG2 3.89Å
363	Y	88.9	Confident	90	Very high	82 Å²	82	67.6 Å²	67.6	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-69.2	-36	-179.7	-70.9	-57.1	0	0	0	112.3	H359 Y360 L365 K366 H367 Y397	H359-Y363 HydrophobicContact CB-CD2 4.09Å; H359-Y363 HydrophobicContact CB-CE2 3.92Å; H359-Y363 AromaticContact CD2-CE2 3.9Å; H359-Y363 WeakPolarHBondContact O-CD2 3.41Å; H359-Y363 PolarHBondContact O-N 3.39Å; Y360-Y363 PolarHBondContact O-N 3.35Å; Y363-L365 VanDerWaalsContact C-N 3.33Å; Y363-L365 PolarHBondContact O-N 3.43Å; Y363-K366 PolarHBondContact O-N 2.94Å; Y363-H367 PolarHBondContact O-N 3.2Å; Y363-H367 PolarHBondContact O-ND1 3.16Å; Y363-Y397 VanDerWaalsContact OH-CE2 3.22Å; Y363-Y397 WeakPolarHBondContact OH-CE2 3.11Å
364	W	92	Very high	89.7	Confident	21 Å²	21	64 Å²	64	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-47.7	174.1	-174.3	94.8	0	0	0	110.5	L336 L342 Y360 K366 H367 H368 V371	L336-W364 HydrophobicContact CB-CD2 3.99Å; L336-W364 HydrophobicContact CB-CG 4.37Å; L336-W364 HydrophobicContact CB-CH2 4.45Å; L336-W364 HydrophobicContact CB-CZ2 3.83Å; L336-W364 HydrophobicContact CD1-CD2 3.91Å; L336-W364 HydrophobicContact CD1-CE3 3.81Å; L336-W364 HydrophobicContact CD1-CG 4.43Å; L336-W364 HydrophobicContact CD1-CZ3 4.14Å; L336-W364 PolarHBondContact O-NE1 3.06Å; L342-W364 HydrophobicContact CD2-CH2 3.92Å; Y360-W364 VanDerWaalsContact O-CB 3.29Å; Y360-W364 WeakPolarHBondContact O-CB 3.27Å; Y360-W364 PolarHBondContact O-N 2.96Å; W364-K366 VanDerWaalsContact C-N 3.32Å; W364-K366 PolarHBondContact O-N 3.17Å; W364-H367 PolarHBondContact O-N 2.78Å; W364-H368 AromaticContact CD1-CE1 3.71Å; W364-H368 AromaticContact CD1-ND1 3.86Å; W364-H368 AromaticContact CD2-ND1 3.63Å; W364-H368 AromaticContact CE2-CE1 3.6Å; W364-H368 AromaticContact CE2-CG 3.94Å; W364-H368 AromaticContact CE2-ND1 3.49Å; W364-H368 HydrophobicContact CE3-CB 4.44Å; W364-H368 AromaticContact CG-ND1 3.86Å; W364-H368 HydrophobicContact CH2-CB 4.26Å; W364-H368 HydrophobicContact CZ2-CB 4.49Å; W364-H368 AromaticContact CZ2-CG 3.93Å; W364-H368 AromaticContact CZ2-ND1 3.96Å; W364-H368 HydrophobicContact CZ3-CB 4.23Å; W364-H368 AromaticContact NE1-CE1 3.35Å; W364-H368 PolarHBondContact NE1-CE1 3.49Å; W364-H368 VanDerWaalsContact NE1-CE1 3.35Å; W364-H368 AromaticContact NE1-ND1 3.65Å; W364-H368 WeakPolarHBondContact O-CB 3.22Å; W364-H368 PolarHBondContact O-N 3.03Å; W364-H368 PolarHBondContact O-ND1 2.89Å; W364-V371 HydrophobicContact CH2-CG2 3.91Å; W364-V371 HydrophobicContact CZ3-CB 4.42Å; W364-V371 HydrophobicContact CZ3-CG1 4.22Å; W364-V371 HydrophobicContact CZ3-CG2 4.1Å
365	L	89.6	Confident	89.3	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-36.4	176	-72.1	169	0	0	0	112.7	L345 L361 Y362 Y363 H368 V371 Y373 L376	L345-L365 HydrophobicContact CD2-CD2 4.25Å; L361-L365 HydrophobicContact CD1-CD1 4.04Å; L361-L365 HydrophobicContact CD1-CG 4.29Å; L361-L365 HydrophobicContact CG-CD1 4.14Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 3.24Å; Y362-L365 PolarHBondContact O-N 3.43Å; Y363-L365 VanDerWaalsContact C-N 3.33Å; Y363-L365 PolarHBondContact O-N 3.43Å; L365-H368 CarbonylContact O-C 3.44Å; L365-H368 PolarHBondContact O-N 3.18Å; L365-V371 HydrophobicContact CD2-CG1 4.25Å; L365-Y373 HydrophobicContact CB-CD1 4.49Å; L365-Y373 HydrophobicContact CB-CE1 4.3Å; L365-Y373 HydrophobicContact CD1-CD1 4.04Å; L365-Y373 HydrophobicContact CD1-CD2 3.92Å; L365-Y373 HydrophobicContact CD1-CE1 4.16Å; L365-Y373 HydrophobicContact CD1-CE2 4.05Å; L365-Y373 HydrophobicContact CD1-CG 3.92Å; L365-Y373 HydrophobicContact CD2-CD1 3.72Å; L365-Y373 HydrophobicContact CD2-CE1 4.36Å; L365-Y373 HydrophobicContact CD2-CG 3.95Å; L365-Y373 HydrophobicContact CG-CD1 4.31Å; L365-L376 HydrophobicContact CD1-CD2 3.86Å
366	K	84.7	Confident	89.3	Confident	140 Å²	140	64.6 Å²	64.6	61%	0.609	29%	0.294	S	S	*	.	H	α-helix	trans	-64	-40.2	175.8	-170.4	177	-179	177.7	0	112.3	Y362 Y363 W364	Y362-K366 PolarHBondContact O-N 3.16Å; Y363-K366 PolarHBondContact O-N 2.94Å; W364-K366 VanDerWaalsContact C-N 3.32Å; W364-K366 PolarHBondContact O-N 3.17Å
367	H	81.9	Confident	89.5	Confident	139 Å²	139	60.8 Å²	60.8	64%	0.644	28%	0.281	S	S	*	.	H	α-helix	trans	-76.9	-26.5	178.3	-70.8	82.9	0	0	0	112.6	Y363 W364 Y369	Y363-H367 PolarHBondContact O-N 3.2Å; Y363-H367 PolarHBondContact O-ND1 3.16Å; W364-H367 PolarHBondContact O-N 2.78Å; H367-Y369 PolarHBondContact O-N 3.01Å
368	H	83.7	Confident	89.7	Confident	70 Å²	70	57.2 Å²	57.2	32%	0.324	26%	0.262	S	S	.	.			trans	-101.7	61.9	178.5	-62.2	82.4	0	0	0	111.1	W364 L365 N370 V371	W364-H368 AromaticContact CD1-CE1 3.71Å; W364-H368 AromaticContact CD1-ND1 3.86Å; W364-H368 AromaticContact CD2-ND1 3.63Å; W364-H368 AromaticContact CE2-CE1 3.6Å; W364-H368 AromaticContact CE2-CG 3.94Å; W364-H368 AromaticContact CE2-ND1 3.49Å; W364-H368 HydrophobicContact CE3-CB 4.44Å; W364-H368 AromaticContact CG-ND1 3.86Å; W364-H368 HydrophobicContact CH2-CB 4.26Å; W364-H368 HydrophobicContact CZ2-CB 4.49Å; W364-H368 AromaticContact CZ2-CG 3.93Å; W364-H368 AromaticContact CZ2-ND1 3.96Å; W364-H368 HydrophobicContact CZ3-CB 4.23Å; W364-H368 AromaticContact NE1-CE1 3.35Å; W364-H368 PolarHBondContact NE1-CE1 3.49Å; W364-H368 VanDerWaalsContact NE1-CE1 3.35Å; W364-H368 AromaticContact NE1-ND1 3.65Å; W364-H368 WeakPolarHBondContact O-CB 3.22Å; W364-H368 PolarHBondContact O-N 3.03Å; W364-H368 PolarHBondContact O-ND1 2.89Å; L365-H368 CarbonylContact O-C 3.44Å; L365-H368 PolarHBondContact O-N 3.18Å; H368-N370 PolarHBondContact O-N 3.37Å; H368-V371 HydrophobicContact CB-CB 4.43Å; H368-V371 HydrophobicContact CB-CG2 3.73Å; H368-V371 WeakPolarHBondContact O-CB 3.41Å; H368-V371 PolarHBondContact O-N 3.04Å
369	Y	81.3	Confident	89.8	Confident	183 Å²	183	61 Å²	61	72%	0.718	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.1	-175.8	64.7	-90.7	0	0	0	115	H367 V371	H367-Y369 PolarHBondContact O-N 3.01Å; Y369-V371 VanDerWaalsContact C-N 3.29Å
370	N	80.6	Confident	89.9	Confident	106 Å²	106	63.1 Å²	63.1	57%	0.567	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.9	175.1	-66	-42.4	0	0	0	113.6	H368	H368-N370 PolarHBondContact O-N 3.37Å
371	V	87.5	Confident	90	Very high	11 Å²	11	63.4 Å²	63.4	7%	0.067	30%	0.299	C	S	.	.			trans	-88.4	111.8	179.2	-178.1	0	0	0	0	109.2	L342 K343 L345 W364 L365 H368 Y369	L342-V371 HydrophobicContact CB-CG2 4.44Å; L342-V371 HydrophobicContact CD2-CG1 4.3Å; L342-V371 WeakPolarHBondContact O-CG2 3.22Å; K343-V371 CarbonylContact O-C 3.58Å; K343-V371 WeakPolarHBondContact O-CA 3.11Å; L345-V371 HydrophobicContact CB-CG1 3.97Å; W364-V371 HydrophobicContact CH2-CG2 3.91Å; W364-V371 HydrophobicContact CZ3-CB 4.42Å; W364-V371 HydrophobicContact CZ3-CG1 4.22Å; W364-V371 HydrophobicContact CZ3-CG2 4.1Å; L365-V371 HydrophobicContact CD2-CG1 4.25Å; H368-V371 HydrophobicContact CB-CB 4.43Å; H368-V371 HydrophobicContact CB-CG2 3.73Å; H368-V371 WeakPolarHBondContact O-CB 3.41Å; H368-V371 PolarHBondContact O-N 3.04Å; Y369-V371 VanDerWaalsContact C-N 3.29Å
372	H	90.8	Very high	90	Very high	119 Å²	119	69.6 Å²	69.6	55%	0.551	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.9	170.3	-60.6	-62.4	0	0	0	110.3	K343 L344 L345	K343-H372 PolarHBondContact O-N 2.02Å; L344-H372 WeakPolarHBondContact CA-O 3.31Å; L344-H372 HydrophobicContact CD2-CB 3.9Å; L345-H372 PolarHBondContact N-O 3.12Å
373	Y	93.5	Very high	90	Very high	81 Å²	81	74.4 Å²	74.4	32%	0.318	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	163.5	179.2	72.1	-82.7	0	0	0	112.6	L345 L365 L376	L345-Y373 WeakPolarHBondContact O-CA 3.19Å; L345-Y373 WeakPolarHBondContact O-CB 3.42Å; L365-Y373 HydrophobicContact CB-CD1 4.49Å; L365-Y373 HydrophobicContact CB-CE1 4.3Å; L365-Y373 HydrophobicContact CD1-CD1 4.04Å; L365-Y373 HydrophobicContact CD1-CD2 3.92Å; L365-Y373 HydrophobicContact CD1-CE1 4.16Å; L365-Y373 HydrophobicContact CD1-CE2 4.05Å; L365-Y373 HydrophobicContact CD1-CG 3.92Å; L365-Y373 HydrophobicContact CD2-CD1 3.72Å; L365-Y373 HydrophobicContact CD2-CE1 4.36Å; L365-Y373 HydrophobicContact CD2-CG 3.95Å; L365-Y373 HydrophobicContact CG-CD1 4.31Å; Y373-L376 HydrophobicContact CD2-CB 4.11Å; Y373-L376 HydrophobicContact CD2-CD2 4.47Å; Y373-L376 HydrophobicContact CE2-CB 3.84Å; Y373-L376 HydrophobicContact CE2-CD2 3.92Å
374	N	90.8	Very high	90.3	Very high	39 Å²	39	73.9 Å²	73.9	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.5	173	69.2	8.5	0	0	0	112.4	L345 W346 L347 R348	L345-N374 PolarHBondContact O-N 3.23Å; W346-N374 WeakPolarHBondContact CA-OD1 3.39Å; L347-N374 CarbonylContact C-O 3.58Å; L347-N374 WeakPolarHBondContact CA-O 3.45Å; L347-N374 VanDerWaalsContact CB-O 3.26Å; L347-N374 WeakPolarHBondContact CB-O 3.28Å; L347-N374 PolarHBondContact N-O 3.45Å; L347-N374 PolarHBondContact N-OD1 3.05Å; R348-N374 HydrophobicContact CG-CB 4.36Å; R348-N374 PolarHBondContact NE-ND2 3.2Å
375	G	87.7	Confident	90.4	Very high	28 Å²	28	77.8 Å²	77.8	29%	0.289	37%	0.367	S	S	.	.			trans	80.6	20.1	167.5	0	0	0	0	0	116.8	W352 E377	W352-G375 VanDerWaalsContact CD1-O 3.29Å; W352-G375 PolarHBondContact NE1-O 3.31Å; G375-E377 VanDerWaalsContact C-N 3.35Å; G375-E377 PolarHBondContact O-N 3Å
376	L	93.6	Very high	90.6	Very high	15 Å²	15	79.2 Å²	79.2	8%	0.079	38%	0.384	C	S	.	.			trans	-90.6	69.2	180	-161.6	70.1	0	0	0	111.4	L347 W352 L361 L365 Y373 V389	L347-L376 HydrophobicContact CD1-CD1 4.16Å; W352-L376 HydrophobicContact CD2-CD1 4.16Å; W352-L376 HydrophobicContact CG-CD1 4.34Å; L361-L376 HydrophobicContact CD2-CD1 3.47Å; L361-L376 VanDerWaalsContact CD2-CD1 3.47Å; L361-L376 HydrophobicContact CG-CD1 4.29Å; L365-L376 HydrophobicContact CD1-CD2 3.86Å; Y373-L376 HydrophobicContact CD2-CB 4.11Å; Y373-L376 HydrophobicContact CD2-CD2 4.47Å; Y373-L376 HydrophobicContact CE2-CB 3.84Å; Y373-L376 HydrophobicContact CE2-CD2 3.92Å; L376-V389 HydrophobicContact CD1-CG2 4.11Å; L376-V389 HydrophobicContact CD2-CB 3.85Å; L376-V389 HydrophobicContact CD2-CG1 4.09Å; L376-V389 HydrophobicContact CD2-CG2 4.29Å; L376-V389 HydrophobicContact CG-CB 3.69Å; L376-V389 HydrophobicContact CG-CG1 4.29Å; L376-V389 HydrophobicContact CG-CG2 3.6Å; L376-V389 PolarHBondContact O-N 3.39Å
377	E	95.1	Very high	91	Very high	75 Å²	75	76.2 Å²	76.2	35%	0.35	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-117.8	130.3	-179.1	-174.3	-165.7	116.3	0	0	110	G375 K379 G386 W387	G375-E377 VanDerWaalsContact C-N 3.35Å; G375-E377 PolarHBondContact O-N 3Å; E377-K379 PolarHBondContact O-N 3.25Å; E377-K379 IonicContact OE1-NZ 2.74Å; E377-K379 PolarHBondContact OE1-NZ 3.39Å; E377-G386 WeakPolarHBondContact OE1-CA 3.43Å; E377-W387 CarbonylContact C-O 3.46Å; E377-W387 WeakPolarHBondContact CA-O 3.42Å
378	C	96.6	Very high	91.7	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.36	C	S	.	.			trans	-58.4	127.5	176.9	-59.9	0	0	0	0	111	C354 Y384 K385 G386 W387	C354-C378 HydrophobicContact CB-CB 3.82Å; C354-C378 WeakPolarHBondContact CB-SG 3.48Å; C354-C378 WeakPolarHBondContact SG-CA 3.1Å; C354-C378 WeakPolarHBondContact SG-CB 3.31Å; C354-C378 CovalentContact SG-SG 2.01Å; C354-C378 PolarHBondContact SG-SG 3.4Å; C378-Y384 WeakPolarHBondContact CB-O 3.36Å; C378-K385 CarbonylContact O-C 3.44Å; C378-K385 WeakPolarHBondContact O-CA 2.98Å; C378-G386 PolarHBondContact O-N 3.37Å; C378-W387 HydrophobicContact CB-CB 4.47Å; C378-W387 WeakPolarHBondContact CB-O 3.07Å; C378-W387 PolarHBondContact N-O 3.23Å; C378-W387 PolarHBondContact SG-O 3.41Å; C378-W387 VanDerWaalsContact SG-O 3.38Å
379	K	97	Very high	92.2	Very high	79 Å²	79	69.6 Å²	69.6	34%	0.343	35%	0.345	S	S	.	.			trans	-105.4	-28	170	-63.8	-54.4	-176.1	-168.6	0	112.6	W352 E377	W352-K379 PolarHBondContact O-N 2.98Å; E377-K379 PolarHBondContact O-N 3.25Å; E377-K379 IonicContact OE1-NZ 2.74Å; E377-K379 PolarHBondContact OE1-NZ 3.39Å
380	T	93.5	Very high	92.6	Very high	55 Å²	55	61.4 Å²	61.4	34%	0.337	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-139.5	157.1	175	58.4	0	0	0	0	110.1	W352 R353 C354	W352-T380 PolarHBondContact O-N 3.32Å; R353-T380 CarbonylContact C-O 3.57Å; R353-T380 WeakPolarHBondContact CA-O 3.25Å; R353-T380 WeakPolarHBondContact CA-OG1 3.44Å; R353-T380 WeakPolarHBondContact CB-OG1 3.29Å; R353-T380 WeakPolarHBondContact CG-OG1 3.33Å; C354-T380 PolarHBondContact N-O 2.91Å
381	P	95.3	Very high	93.1	Very high	45 Å²	45	60.9 Å²	60.9	29%	0.292	31%	0.308	S	S	.	.	S	Bend	cis	-70.2	172.8	-12.3	37.9	-41.3	0	0	0	111.8	C354 E383 Y384 K385	C354-P381 WeakPolarHBondContact O-CD 3.17Å; P381-E383 WeakPolarHBondContact CB-OE2 3.4Å; P381-E383 WeakPolarHBondContact CG-OE2 3.15Å; P381-E383 PolarHBondContact O-N 2.85Å; P381-Y384 HydrophobicContact CG-CD2 3.79Å; P381-Y384 HydrophobicContact CG-CE2 4.18Å; P381-Y384 PolarHBondContact O-N 3.17Å; P381-K385 PolarHBondContact O-N 3.1Å
382	E	93.3	Very high	93.4	Very high	130 Å²	130	60.8 Å²	60.8	61%	0.607	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.7	-25.8	-167.8	-165.1	69.4	-164	0	0	112.4	Y384 K385	E382-Y384 VanDerWaalsContact C-N 3.27Å; E382-Y384 PolarHBondContact O-N 2.91Å; E382-K385 VanDerWaalsContact CD-CD 3.41Å; E382-K385 WeakPolarHBondContact O-CB 3.28Å; E382-K385 PolarHBondContact O-N 3.37Å; E382-K385 VanDerWaalsContact OE1-CD 3.24Å; E382-K385 WeakPolarHBondContact OE1-CD 3.47Å; E382-K385 IonicContact OE1-NZ 2.76Å; E382-K385 PolarHBondContact OE1-NZ 3.07Å; E382-K385 WeakPolarHBondContact OE2-CD 3.43Å; E382-K385 IonicContact OE2-NZ 2.86Å; E382-K385 PolarHBondContact OE2-NZ 2.77Å
383	E	93.1	Very high	93.4	Very high	136 Å²	136	55.2 Å²	55.2	64%	0.636	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61.8	-34.1	178.4	-55.9	78.2	-168.8	0	0	112.5	P381	P381-E383 WeakPolarHBondContact CB-OE2 3.4Å; P381-E383 WeakPolarHBondContact CG-OE2 3.15Å; P381-E383 PolarHBondContact O-N 2.85Å
384	Y	94.4	Very high	93.1	Very high	70 Å²	70	58 Å²	58	28%	0.275	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-107.1	4.7	-178	-52.7	-56.2	0	0	0	112.8	C354 C378 P381 E382 G386 W387 Y392	C354-Y384 HydrophobicContact CB-CD2 4.48Å; C378-Y384 WeakPolarHBondContact CB-O 3.36Å; P381-Y384 HydrophobicContact CG-CD2 3.79Å; P381-Y384 HydrophobicContact CG-CE2 4.18Å; P381-Y384 PolarHBondContact O-N 3.17Å; E382-Y384 VanDerWaalsContact C-N 3.27Å; E382-Y384 PolarHBondContact O-N 2.91Å; Y384-G386 PolarHBondContact O-N 3.03Å; Y384-W387 HydrophobicContact CD1-CD2 4.41Å; Y384-W387 HydrophobicContact CD1-CE3 4.19Å; Y384-W387 HydrophobicContact CD1-CZ3 4.31Å; Y384-W387 WeakPolarHBondContact O-CB 3.39Å; Y384-W387 PolarHBondContact O-N 3.27Å; Y384-Y392 AromaticContact CD1-CD2 3.99Å; Y384-Y392 HydrophobicContact CD1-CD2 3.99Å; Y384-Y392 AromaticContact CD2-CD2 3.68Å; Y384-Y392 HydrophobicContact CD2-CD2 3.68Å; Y384-Y392 AromaticContact CD2-CE2 3.68Å; Y384-Y392 HydrophobicContact CD2-CE2 3.68Å; Y384-Y392 HydrophobicContact CE1-CD2 4.12Å; Y384-Y392 HydrophobicContact CE1-CE2 4.43Å; Y384-Y392 AromaticContact CE2-CD2 3.83Å; Y384-Y392 HydrophobicContact CE2-CD2 3.83Å; Y384-Y392 AromaticContact CE2-CE2 3.49Å; Y384-Y392 HydrophobicContact CE2-CE2 3.49Å; Y384-Y392 VanDerWaalsContact CE2-CE2 3.49Å; Y384-Y392 AromaticContact CG-CD2 3.78Å; Y384-Y392 HydrophobicContact CG-CD2 3.78Å; Y384-Y392 HydrophobicContact CG-CE2 4.26Å; Y384-Y392 AromaticContact CZ-CE2 3.89Å
385	K	94.8	Very high	92.8	Very high	103 Å²	103	57.3 Å²	57.3	45%	0.448	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	133.4	-176.9	-175.7	175.6	178.2	-179.4	0	111.7	C378 P381 E382 W387	C378-K385 CarbonylContact O-C 3.44Å; C378-K385 WeakPolarHBondContact O-CA 2.98Å; P381-K385 PolarHBondContact O-N 3.1Å; E382-K385 VanDerWaalsContact CD-CD 3.41Å; E382-K385 WeakPolarHBondContact O-CB 3.28Å; E382-K385 PolarHBondContact O-N 3.37Å; E382-K385 VanDerWaalsContact OE1-CD 3.24Å; E382-K385 WeakPolarHBondContact OE1-CD 3.47Å; E382-K385 IonicContact OE1-NZ 2.76Å; E382-K385 PolarHBondContact OE1-NZ 3.07Å; E382-K385 WeakPolarHBondContact OE2-CD 3.43Å; E382-K385 IonicContact OE2-NZ 2.86Å; E382-K385 PolarHBondContact OE2-NZ 2.77Å; K385-W387 PolarHBondContact O-N 3.24Å
386	G	92.6	Very high	92.4	Very high	39 Å²	39	60.7 Å²	60.7	40%	0.402	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-6.5	-175.2	0	0	0	0	0	114.2	E377 C378 Y384	E377-G386 WeakPolarHBondContact OE1-CA 3.43Å; C378-G386 PolarHBondContact O-N 3.37Å; Y384-G386 PolarHBondContact O-N 3.03Å
387	W	94.4	Very high	91.1	Very high	78 Å²	78	64.9 Å²	64.9	30%	0.295	31%	0.31	S	S	.	.			trans	-76.7	140.2	177.4	-71.6	34.3	0	0	0	110.4	E377 C378 Y384 K385 V389 K391	E377-W387 CarbonylContact C-O 3.46Å; E377-W387 WeakPolarHBondContact CA-O 3.42Å; C378-W387 HydrophobicContact CB-CB 4.47Å; C378-W387 WeakPolarHBondContact CB-O 3.07Å; C378-W387 PolarHBondContact N-O 3.23Å; C378-W387 PolarHBondContact SG-O 3.41Å; C378-W387 VanDerWaalsContact SG-O 3.38Å; Y384-W387 HydrophobicContact CD1-CD2 4.41Å; Y384-W387 HydrophobicContact CD1-CE3 4.19Å; Y384-W387 HydrophobicContact CD1-CZ3 4.31Å; Y384-W387 WeakPolarHBondContact O-CB 3.39Å; Y384-W387 PolarHBondContact O-N 3.27Å; K385-W387 PolarHBondContact O-N 3.24Å; W387-V389 PolarHBondContact O-N 3.17Å; W387-K391 HydrophobicContact CD2-CD 3.89Å; W387-K391 HydrophobicContact CE3-CB 4.38Å; W387-K391 HydrophobicContact CE3-CD 3.57Å; W387-K391 HydrophobicContact CE3-CG 3.77Å; W387-K391 HydrophobicContact CG-CD 4.39Å; W387-K391 HydrophobicContact CZ3-CD 3.98Å; W387-K391 HydrophobicContact CZ3-CG 4.06Å
388	P	95.3	Very high	89.4	Confident	69 Å²	69	68.4 Å²	68.4	45%	0.448	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-57.9	134.7	162.7	-20.7	32.3	0	0	0	109.5	G390 K391 Y392	P388-G390 PolarHBondContact O-N 2.96Å; P388-K391 HydrophobicContact CB-CB 4.36Å; P388-K391 WeakPolarHBondContact O-CA 3.21Å; P388-K391 VanDerWaalsContact O-CB 3.28Å; P388-K391 WeakPolarHBondContact O-CB 3.08Å; P388-K391 PolarHBondContact O-N 3.07Å; P388-Y392 PolarHBondContact O-N 2.95Å
389	V	94.1	Very high	87.3	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-55.7	-38.4	179.5	168.8	0	0	0	0	111.5	I358 L376 W387 K391 Y392 V393	I358-V389 HydrophobicContact CB-CG1 4.46Å; I358-V389 HydrophobicContact CG1-CG1 3.61Å; I358-V389 HydrophobicContact CG1-CG2 4.11Å; I358-V389 HydrophobicContact CG2-CG1 3.96Å; L376-V389 HydrophobicContact CD1-CG2 4.11Å; L376-V389 HydrophobicContact CD2-CB 3.85Å; L376-V389 HydrophobicContact CD2-CG1 4.09Å; L376-V389 HydrophobicContact CD2-CG2 4.29Å; L376-V389 HydrophobicContact CG-CB 3.69Å; L376-V389 HydrophobicContact CG-CG1 4.29Å; L376-V389 HydrophobicContact CG-CG2 3.6Å; L376-V389 PolarHBondContact O-N 3.39Å; W387-V389 PolarHBondContact O-N 3.17Å; V389-K391 PolarHBondContact O-N 2.93Å; V389-Y392 WeakPolarHBondContact O-CB 3.07Å; V389-Y392 PolarHBondContact O-N 3.3Å; V389-Y392 VanDerWaalsContact O-N 3.11Å; V389-V393 HydrophobicContact CG1-CG2 4.12Å; V389-V393 WeakPolarHBondContact O-CG2 3.4Å; V389-V393 PolarHBondContact O-N 3.31Å
390	G	90.4	Very high	84.9	Confident	11 Å²	11	76.4 Å²	76.4	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-25	177.4	0	0	0	0	0	114.1	P388 R394	P388-G390 PolarHBondContact O-N 2.96Å; G390-R394 WeakPolarHBondContact O-CG 3.44Å; G390-R394 PolarHBondContact O-N 2.8Å; G390-R394 PolarHBondContact O-NE 3.3Å
391	K	91.7	Very high	82.7	Confident	94 Å²	94	78.9 Å²	78.9	41%	0.409	39%	0.389	S	S	.	.	H	α-helix	trans	-72.2	-47.3	171.2	-176.4	-174.4	175.5	-168.3	0	110.2	W387 P388 V389 V393 R394 S395	W387-K391 HydrophobicContact CD2-CD 3.89Å; W387-K391 HydrophobicContact CE3-CB 4.38Å; W387-K391 HydrophobicContact CE3-CD 3.57Å; W387-K391 HydrophobicContact CE3-CG 3.77Å; W387-K391 HydrophobicContact CG-CD 4.39Å; W387-K391 HydrophobicContact CZ3-CD 3.98Å; W387-K391 HydrophobicContact CZ3-CG 4.06Å; P388-K391 HydrophobicContact CB-CB 4.36Å; P388-K391 WeakPolarHBondContact O-CA 3.21Å; P388-K391 VanDerWaalsContact O-CB 3.28Å; P388-K391 WeakPolarHBondContact O-CB 3.08Å; P388-K391 PolarHBondContact O-N 3.07Å; V389-K391 PolarHBondContact O-N 2.93Å; K391-V393 PolarHBondContact O-N 2.01Å; K391-R394 PolarHBondContact O-N 3.38Å; K391-S395 PolarHBondContact O-N 3.24Å; K391-S395 PolarHBondContact O-OG 3.2Å
392	Y	93.3	Very high	80.7	Confident	9 Å²	9	86 Å²	86	4%	0.035	42%	0.416	C	S	.	.	H	α-helix	trans	-55.8	-50	176.1	164.5	-102.6	0	0	0	112	C354 D355 I358 H359 Y384 P388 V389 R394 S395 Y396	C354-Y392 HydrophobicContact CB-CD1 3.67Å; C354-Y392 HydrophobicContact CB-CD2 4.04Å; C354-Y392 HydrophobicContact CB-CE1 3.94Å; C354-Y392 HydrophobicContact CB-CE2 4.29Å; C354-Y392 HydrophobicContact CB-CG 3.73Å; C354-Y392 VanDerWaalsContact O-CZ 3.24Å; C354-Y392 PolarHBondContact O-OH 2.73Å; D355-Y392 VanDerWaalsContact CA-OH 3.24Å; D355-Y392 WeakPolarHBondContact CA-OH 3.11Å; I358-Y392 HydrophobicContact CG2-CD1 3.93Å; I358-Y392 HydrophobicContact CG2-CE1 3.78Å; H359-Y392 AromaticContact CE1-CE1 3.94Å; Y384-Y392 AromaticContact CD1-CD2 3.99Å; Y384-Y392 HydrophobicContact CD1-CD2 3.99Å; Y384-Y392 AromaticContact CD2-CD2 3.68Å; Y384-Y392 HydrophobicContact CD2-CD2 3.68Å; Y384-Y392 AromaticContact CD2-CE2 3.68Å; Y384-Y392 HydrophobicContact CD2-CE2 3.68Å; Y384-Y392 HydrophobicContact CE1-CD2 4.12Å; Y384-Y392 HydrophobicContact CE1-CE2 4.43Å; Y384-Y392 AromaticContact CE2-CD2 3.83Å; Y384-Y392 HydrophobicContact CE2-CD2 3.83Å; Y384-Y392 AromaticContact CE2-CE2 3.49Å; Y384-Y392 HydrophobicContact CE2-CE2 3.49Å; Y384-Y392 VanDerWaalsContact CE2-CE2 3.49Å; Y384-Y392 AromaticContact CG-CD2 3.78Å; Y384-Y392 HydrophobicContact CG-CD2 3.78Å; Y384-Y392 HydrophobicContact CG-CE2 4.26Å; Y384-Y392 AromaticContact CZ-CE2 3.89Å; P388-Y392 PolarHBondContact O-N 2.95Å; V389-Y392 WeakPolarHBondContact O-CB 3.07Å; V389-Y392 PolarHBondContact O-N 3.3Å; V389-Y392 VanDerWaalsContact O-N 3.11Å; Y392-R394 VanDerWaalsContact C-N 3.3Å; Y392-R394 PolarHBondContact O-N 3.02Å; Y392-S395 WeakPolarHBondContact CA-OG 3.15Å; Y392-S395 PolarHBondContact O-N 2.83Å; Y392-S395 VanDerWaalsContact O-N 3.16Å; Y392-S395 PolarHBondContact O-OG 2.95Å; Y392-Y396 HydrophobicContact CE2-CD2 4.28Å; Y392-Y396 AromaticContact CZ-CD2 3.89Å; Y392-Y396 PolarHBondContact O-N 2.9Å; Y392-Y396 WeakPolarHBondContact OH-CD2 3.46Å
393	V	90.8	Very high	78.7	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.018	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-36.3	-178.4	175.5	0	0	0	0	112.1	I358 Y362 V389 K391 Y396	I358-V393 HydrophobicContact CG2-CG2 4.24Å; Y362-V393 HydrophobicContact CD1-CB 3.85Å; Y362-V393 HydrophobicContact CD1-CG1 3.46Å; Y362-V393 VanDerWaalsContact CD1-CG1 3.46Å; Y362-V393 HydrophobicContact CD1-CG2 3.97Å; Y362-V393 HydrophobicContact CE1-CB 4.02Å; Y362-V393 HydrophobicContact CE1-CG1 3.6Å; Y362-V393 HydrophobicContact CG-CB 4.16Å; Y362-V393 HydrophobicContact CG-CG1 4.23Å; Y362-V393 HydrophobicContact CG-CG2 3.89Å; V389-V393 HydrophobicContact CG1-CG2 4.12Å; V389-V393 WeakPolarHBondContact O-CG2 3.4Å; V389-V393 PolarHBondContact O-N 3.31Å; K391-V393 PolarHBondContact O-N 2.01Å; V393-Y396 PolarHBondContact O-N 3.38Å
394	R	87.1	Confident	76.3	Confident	139 Å²	139	89.5 Å²	89.5	53%	0.525	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-47.5	174	-78.9	178.6	-85.3	162.2	-11.5	111.6	G390 K391 Y392 Y396	G390-R394 WeakPolarHBondContact O-CG 3.44Å; G390-R394 PolarHBondContact O-N 2.8Å; G390-R394 PolarHBondContact O-NE 3.3Å; K391-R394 PolarHBondContact O-N 3.38Å; Y392-R394 VanDerWaalsContact C-N 3.3Å; Y392-R394 PolarHBondContact O-N 3.02Å; R394-Y396 VanDerWaalsContact C-N 3.28Å; R394-Y396 PolarHBondContact O-N 3.06Å
395	S	85.4	Confident	73.9	Confident	25 Å²	25	94 Å²	94	18%	0.175	46%	0.461	C	S	.	.	H	α-helix	trans	-67	-25.9	178.2	55.9	0	0	0	0	114	K391 Y392 Y397 E398	K391-S395 PolarHBondContact O-N 3.24Å; K391-S395 PolarHBondContact O-OG 3.2Å; Y392-S395 WeakPolarHBondContact CA-OG 3.15Å; Y392-S395 PolarHBondContact O-N 2.83Å; Y392-S395 VanDerWaalsContact O-N 3.16Å; Y392-S395 PolarHBondContact O-OG 2.95Å; S395-Y397 PolarHBondContact O-N 3.16Å; S395-E398 PolarHBondContact O-N 2.76Å; S395-E398 VanDerWaalsContact O-N 3.12Å
396	Y	79.3	Confident	71.4	Confident	98 Å²	98	94.1 Å²	94.1	38%	0.384	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-31.9	-178.3	-172.9	-97.6	0	0	0	113	H359 Y392 V393 R394	H359-Y396 AromaticContact CE1-CD1 3.8Å; H359-Y396 AromaticContact CE1-CG 3.86Å; H359-Y396 AromaticContact NE2-CD1 3.43Å; H359-Y396 WeakPolarHBondContact NE2-CD1 3.4Å; H359-Y396 AromaticContact NE2-CG 3.7Å; Y392-Y396 HydrophobicContact CE2-CD2 4.28Å; Y392-Y396 AromaticContact CZ-CD2 3.89Å; Y392-Y396 PolarHBondContact O-N 2.9Å; Y392-Y396 WeakPolarHBondContact OH-CD2 3.46Å; V393-Y396 PolarHBondContact O-N 3.38Å; R394-Y396 VanDerWaalsContact C-N 3.28Å; R394-Y396 PolarHBondContact O-N 3.06Å
397	Y	64.9	Low	68.8	Low	103 Å²	103	97.3 Å²	97.3	40%	0.404	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-6	177.7	-65.5	-80.3	0	0	0	113.9	H359 Y363 S395 E399 C400	H359-Y397 AromaticContact CD2-CE2 3.96Å; H359-Y397 AromaticContact NE2-CE2 3.85Å; Y363-Y397 VanDerWaalsContact OH-CE2 3.22Å; Y363-Y397 WeakPolarHBondContact OH-CE2 3.11Å; S395-Y397 PolarHBondContact O-N 3.16Å; Y397-E399 PolarHBondContact O-N 3.06Å; Y397-C400 WeakPolarHBondContact O-CB 3.19Å; Y397-C400 PolarHBondContact O-N 3.2Å; Y397-C400 VanDerWaalsContact O-N 3.14Å
398	E	60.7	Low	65.9	Low	149 Å²	149	103.3 Å²	103.3	70%	0.696	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.1	175.1	-72.4	175.5	174.8	0	0	111.9	S395	S395-E398 PolarHBondContact O-N 2.76Å; S395-E398 VanDerWaalsContact O-N 3.12Å
399	E	51.1	Low	63.2	Low	172 Å²	172	105.4 Å²	105.4	80%	0.804	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.5	173.4	-63.3	-174.4	174.4	0	0	113.5	Y397	Y397-E399 PolarHBondContact O-N 3.06Å
400	C	46.8	Very low	60.7	Low	75 Å²	75	114.6 Å²	114.6	51%	0.507	58%	0.576	S	S	.	*	S	Bend	trans	-82.2	124.6	177.2	-128.1	0	0	0	0	109.5	Y397 K402	Y397-C400 WeakPolarHBondContact O-CB 3.19Å; Y397-C400 PolarHBondContact O-N 3.2Å; Y397-C400 VanDerWaalsContact O-N 3.14Å; C400-K402 PolarHBondContact O-N 3.25Å
401	P	47.8	Very low	58.3	Low	107 Å²	107	119.9 Å²	119.9	70%	0.695	61%	0.606	S	S	*	*			trans	-56.8	118.5	176.6	-20.3	30.2	0	0	0	109.7	D403	P401-D403 PolarHBondContact O-N 2.89Å
402	K	52.3	Low	55.4	Low	196 Å²	196	124.7 Å²	124.7	85%	0.852	63%	0.627	S	S	*	*	S	Bend	trans	-63.9	-4.5	178	-66.4	-174.6	178.2	-176.8	0	113.4	C400 K404	C400-K402 PolarHBondContact O-N 3.25Å; K402-K404 PolarHBondContact O-N 3.41Å
403	D	51.5	Low	52.7	Low	138 Å²	138	131 Å²	131	74%	0.738	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	83.1	-178.4	-58.5	-34.6	0	0	0	111	P401	P401-D403 PolarHBondContact O-N 2.89Å
404	K	43.9	Very low	50.2	Low	200 Å²	200	139.4 Å²	139.4	87%	0.87	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.7	48.3	149.7	-87.9	166.1	-173.4	-177.3	0	113.4	K402	K402-K404 PolarHBondContact O-N 3.41Å
405	L	42.6	Very low	48	Very low	164 Å²	164	139.3 Å²	139.3	86%	0.859	71%	0.711	S	S	*	*			trans	-108.4	125.9	157.1	-72.5	167.6	0	0	0	108.2	A407	L405-A407 PolarHBondContact O-N 3.03Å
406	P	42.6	Very low	45.8	Very low	106 Å²	106	144.2 Å²	144.2	69%	0.688	74%	0.74	S	S	*	*			trans	-60.9	128.9	175.6	23.4	-29.3	0	0	0	108.8	Y408	P406-Y408 PolarHBondContact O-N 3.2Å
407	A	38.9	Very low	44	Very low	106 Å²	106	147.4 Å²	147.4	88%	0.876	76%	0.758	S	S	*	*			trans	-55.3	112.5	-179.7	0	0	0	0	0	110.5	L405	L405-A407 PolarHBondContact O-N 3.03Å
408	Y	33.8	Very low	43.1	Very low	204 Å²	204	147.7 Å²	147.7	80%	0.8	77%	0.767	S	S	*	*			trans	-88.6	145.5	159.4	-93.3	-92.4	0	0	0	108.7	P406 E410	P406-Y408 PolarHBondContact O-N 3.2Å; Y408-E410 PolarHBondContact O-N 2.85Å
409	P	37.6	Very low	42.1	Very low	114 Å²	114	147.8 Å²	147.8	74%	0.74	77%	0.772	S	S	*	*			trans	-60.1	127.5	-174.3	-18.7	30.6	0	0	0	111.4	T411	P409-T411 PolarHBondContact O-N 2.77Å
410	E	41.5	Very low	41.5	Very low	193 Å²	193	144.7 Å²	144.7	90%	0.902	76%	0.761	S	S	*	*			trans	-62.7	101	174.8	-68.9	177.9	167.6	0	0	110.7	Y408	Y408-E410 PolarHBondContact O-N 2.85Å
411	T	40.6	Very low	41.5	Very low	123 Å²	123	147.9 Å²	147.9	76%	0.755	76%	0.763	S	S	*	*			trans	-139.9	93.3	150.4	54.8	0	0	0	0	107.2	P409	P409-T411 PolarHBondContact O-N 2.77Å
412	F	31.4	Very low	41.3	Very low	194 Å²	194	149 Å²	149	85%	0.851	76%	0.759	S	S	*	*	S	Bend	trans	179.5	105.2	133.4	-115.4	-95.2	0	0	0	109.2
413	D	37	Very low	40.6	Very low	143 Å²	143	146.4 Å²	146.4	77%	0.765	75%	0.747	S	S	*	*			trans	27.5	130.7	155.8	-61.1	-40.5	0	0	0	122.2
414	Q	38.2	Very low	40.3	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	74%	0.736	S	S	*	*			trans	-61.2	131.1	179.4	-74.2	167.3	-51.5	0	0	113.6	T416	Q414-T416 PolarHBondContact O-N 3.25Å
415	D	40.7	Very low	40.5	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	71%	0.714	S	S	*	*			trans	-58.4	88	165.7	-63.5	-45.8	0	0	0	111.4
416	T	38.2	Very low	40.5	Very low	127 Å²	127	140.7 Å²	140.7	78%	0.779	71%	0.708	S	S	*	*			trans	-121.4	5	165.4	48.7	0	0	0	0	114.2	Q414	Q414-T416 PolarHBondContact O-N 3.25Å
417	E	41.2	Very low	40.3	Very low	166 Å²	166	141.1 Å²	141.1	78%	0.776	71%	0.705	S	S	*	*	S	Bend	trans	-97.5	-3.2	178.6	-67.4	-169.5	162.1	0	0	114.3	D419 D420	E417-D419 PolarHBondContact O-N 2.92Å; E417-D420 PolarHBondContact O-N 2.88Å
418	D	47.2	Very low	40.3	Very low	108 Å²	108	143 Å²	143	58%	0.578	70%	0.695	S	S	*	*	H	α-helix	trans	-68.8	-26.4	-169.8	-80.9	-22	0	0	0	115.1
419	D	40.3	Very low	40.6	Very low	152 Å²	152	138.8 Å²	138.8	81%	0.813	69%	0.691	S	S	*	*	H	α-helix	trans	-83.5	-20.2	-179.4	-87.6	-19.2	0	0	0	113.7	E417	E417-D419 PolarHBondContact O-N 2.92Å
420	D	38.6	Very low	40.3	Very low	106 Å²	106	136.8 Å²	136.8	57%	0.567	68%	0.684	S	S	*	*	H	α-helix	trans	-82.8	-19.9	177.2	-90.9	-23.3	0	0	0	112.4	E417 K423 I424	E417-D420 PolarHBondContact O-N 2.88Å; D420-K423 PolarHBondContact O-N 3.12Å; D420-I424 WeakPolarHBondContact O-CG1 3.24Å; D420-I424 PolarHBondContact O-N 3.05Å
421	W	45.3	Very low	40	Very low	143 Å²	143	135.3 Å²	135.3	54%	0.542	67%	0.674	S	S	.	*	H	α-helix	trans	-68.6	-39.9	-175.9	-155.7	94.1	0	0	0	113.5	K423 H425	W421-K423 VanDerWaalsContact C-N 3.32Å; W421-H425 AromaticContact CD2-CE1 3.98Å; W421-H425 AromaticContact CD2-ND1 4Å; W421-H425 AromaticContact CE2-CE1 3.7Å; W421-H425 AromaticContact CE3-ND1 3.94Å; W421-H425 AromaticContact CH2-CE1 3.89Å; W421-H425 AromaticContact CZ2-CE1 3.66Å; W421-H425 PolarHBondContact O-ND1 3.1Å
422	E	44.9	Very low	39.8	Very low	131 Å²	131	138.5 Å²	138.5	61%	0.612	68%	0.678	S	S	*	*	H	α-helix	trans	-71.2	-27.1	175.1	-74.6	-164	170.1	0	0	112.6	R426	E422-R426 PolarHBondContact O-N 3.33Å
423	K	37.6	Very low	39.8	Very low	140 Å²	140	137.7 Å²	137.7	61%	0.609	68%	0.676	S	S	*	*	H	α-helix	trans	-76.7	-42.6	-176.8	-138.3	174.9	-174.6	176.1	0	112	D420 W421 H425 R426 D427	D420-K423 PolarHBondContact O-N 3.12Å; W421-K423 VanDerWaalsContact C-N 3.32Å; K423-H425 PolarHBondContact O-N 2.83Å; K423-R426 PolarHBondContact O-N 3.34Å; K423-D427 PolarHBondContact O-N 3.29Å; K423-D427 VanDerWaalsContact O-N 3.16Å
424	I	43.8	Very low	39.4	Very low	98 Å²	98	142.4 Å²	142.4	50%	0.503	68%	0.683	S	S	.	*	H	α-helix	trans	-64.4	-39.6	177.8	-65.6	169.4	0	0	0	111.1	D420 D427 H428	D420-I424 WeakPolarHBondContact O-CG1 3.24Å; D420-I424 PolarHBondContact O-N 3.05Å; I424-D427 PolarHBondContact O-N 2.82Å; I424-H428 PolarHBondContact O-CD2 3.42Å; I424-H428 VanDerWaalsContact O-CD2 3.3Å; I424-H428 PolarHBondContact O-N 2.88Å
425	H	49.4	Very low	39.1	Very low	88 Å²	88	140 Å²	140	41%	0.407	68%	0.68	S	S	.	*	H	α-helix	trans	-73.5	-30.8	178.9	-73.1	82.6	0	0	0	113.3	W421 K423	W421-H425 AromaticContact CD2-CE1 3.98Å; W421-H425 AromaticContact CD2-ND1 4Å; W421-H425 AromaticContact CE2-CE1 3.7Å; W421-H425 AromaticContact CE3-ND1 3.94Å; W421-H425 AromaticContact CH2-CE1 3.89Å; W421-H425 AromaticContact CZ2-CE1 3.66Å; W421-H425 PolarHBondContact O-ND1 3.1Å; K423-H425 PolarHBondContact O-N 2.83Å
426	R	42.4	Very low	38.5	Very low	196 Å²	196	144.4 Å²	144.4	74%	0.74	69%	0.687	S	S	*	*	H	α-helix	trans	-66	-43.7	171	-94.8	-171.5	177.1	-159	2.3	112.3	E422 K423 H428 T429 A430	E422-R426 PolarHBondContact O-N 3.33Å; K423-R426 PolarHBondContact O-N 3.34Å; R426-H428 VanDerWaalsContact C-N 3.31Å; R426-H428 PolarHBondContact O-N 2.94Å; R426-T429 PolarHBondContact O-N 3.35Å; R426-T429 VanDerWaalsContact O-N 3.12Å; R426-T429 PolarHBondContact O-OG1 2.74Å; R426-A430 PolarHBondContact O-N 3.19Å
427	D	36.8	Very low	38.3	Very low	116 Å²	116	145.1 Å²	145.1	62%	0.62	68%	0.684	S	S	*	*	H	α-helix	trans	-68.1	-28	-176.4	-89.8	-11.3	0	0	0	113.6	K423 I424 A430	K423-D427 PolarHBondContact O-N 3.29Å; K423-D427 VanDerWaalsContact O-N 3.16Å; I424-D427 PolarHBondContact O-N 2.82Å; D427-A430 PolarHBondContact O-N 2.83Å
428	H	40.2	Very low	37.9	Very low	144 Å²	144	142.4 Å²	142.4	67%	0.667	68%	0.679	S	S	*	*	H	α-helix	trans	-74.1	-26	172.7	-80.3	-70	0	0	0	113.8	I424 R426	I424-H428 PolarHBondContact O-CD2 3.42Å; I424-H428 VanDerWaalsContact O-CD2 3.3Å; I424-H428 PolarHBondContact O-N 2.88Å; R426-H428 VanDerWaalsContact C-N 3.31Å; R426-H428 PolarHBondContact O-N 2.94Å
429	T	39	Very low	37.3	Very low	117 Å²	117	144.6 Å²	144.6	72%	0.718	69%	0.689	S	S	*	*	H	α-helix	trans	-80.8	-15.9	172.8	60.9	0	0	0	0	113.8	R426	R426-T429 PolarHBondContact O-N 3.35Å; R426-T429 VanDerWaalsContact O-N 3.12Å; R426-T429 PolarHBondContact O-OG1 2.74Å
430	A	32	Very low	37.2	Very low	71 Å²	71	143.5 Å²	143.5	59%	0.587	69%	0.688	S	S	*	*			trans	-85.2	-7.9	-177.1	0	0	0	0	0	114.9	R426 D427 K432	R426-A430 PolarHBondContact O-N 3.19Å; D427-A430 PolarHBondContact O-N 2.83Å; A430-K432 PolarHBondContact O-N 3.19Å
431	K	34.4	Very low	37.2	Very low	162 Å²	162	145.2 Å²	145.2	70%	0.704	73%	0.731	S	S	*	*			trans	-79	62.5	172.6	-76.3	-178.1	-179.5	171.8	0	112.1	H433	K431-H433 PolarHBondContact O-N 3.46Å; K431-H433 VanDerWaalsContact O-N 3.12Å
432	K	36.5	Very low	36.8	Very low	190 Å²	190	145.4 Å²	145.4	83%	0.826	74%	0.74	S	S	*	*			trans	-59.5	109.8	155.4	-91.6	-178.1	176.7	176.2	0	107.8	A430 R434	A430-K432 PolarHBondContact O-N 3.19Å; K432-R434 PolarHBondContact O-N 3.33Å
433	H	32.9	Very low	36.4	Very low	177 Å²	177	146.1 Å²	146.1	82%	0.819	75%	0.747	S	S	*	*			trans	-62.1	100.1	162.9	-77.4	65.9	0	0	0	107.8	K431 V435	K431-H433 PolarHBondContact O-N 3.46Å; K431-H433 VanDerWaalsContact O-N 3.12Å; H433-V435 PolarHBondContact O-N 3.32Å
434	R	28.3	Very low	36.3	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	76%	0.755	S	S	*	*			trans	-66.5	99.8	167.6	-88	-177.2	166.6	-175	-3.2	108	K432 R436	K432-R434 PolarHBondContact O-N 3.33Å; R434-R436 PolarHBondContact O-N 2.86Å
435	V	31.5	Very low	35.9	Very low	127 Å²	127	149.3 Å²	149.3	77%	0.77	77%	0.77	S	S	*	*			trans	-70.4	113.5	162.1	178.9	0	0	0	0	107.1	H433 I437	H433-V435 PolarHBondContact O-N 3.32Å; V435-I437 HydrophobicContact CG1-CG1 4.38Å
436	R	28.6	Very low	35.1	Very low	232 Å²	232	153.1 Å²	153.1	88%	0.875	79%	0.792	S	S	*	*			trans	-87.9	103.9	174.8	-159.8	179.6	-171.1	-176.1	1.9	107.4	R434 T438	R434-R436 PolarHBondContact O-N 2.86Å; R436-T438 PolarHBondContact O-N 2.76Å
437	I	33.8	Very low	34.6	Very low	141 Å²	141	150.3 Å²	150.3	72%	0.723	80%	0.796	S	S	*	*			trans	-79.2	113.7	170.8	-58.8	174.2	0	0	0	107.1	V435 I439	V435-I437 HydrophobicContact CG1-CG1 4.38Å; I437-I439 HydrophobicContact CG2-CG1 4.11Å
438	T	32.6	Very low	34.4	Very low	109 Å²	109	152.7 Å²	152.7	67%	0.669	81%	0.808	S	S	*	*			trans	-97	109.6	167.6	-49.5	0	0	0	0	107.3	R436 V440	R436-T438 PolarHBondContact O-N 2.76Å; T438-V440 HydrophobicContact CG2-CG2 4.07Å
439	I	34.6	Very low	34	Very low	155 Å²	155	153.4 Å²	153.4	80%	0.795	82%	0.819	S	S	*	*			trans	-82.9	117.2	166.3	-59.7	174.6	0	0	0	106.1	I437	I437-I439 HydrophobicContact CG2-CG1 4.11Å
440	V	37.6	Very low	33.5	Very low	128 Å²	128	156.4 Å²	156.4	78%	0.776	83%	0.828	S	S	*	*			trans	-102.6	119	166.5	-176.6	0	0	0	0	105.9	T438	T438-V440 HydrophobicContact CG2-CG2 4.07Å
441	G	39.7	Very low	33.7	Very low	143 Å²	143	164.2 Å²	164.2	100%	1.474	85%	0.85	S	S	*	*			trans	-76.4	0	172.4	0	0	0	0	0	112.8

Retrieved 441 of 441 residues in 195.1 ms (Link to these results)

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