A0A087YHN1_POEFO Loading...

Ubiquitin domain containing 1b

AlphaFold DB (A0A3B3UQ26), UniProt , Accession A0A087YHN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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	48.4	Very low	39.6	Very low	252 Å²	252	162.5 Å²	162.5	100%	1.241	88%	0.88	S	S	*	*				0	132.4	0	-77.4	-175.1	-171.5	0	0	108.2
2	G	42.3	Very low	39.9	Very low	88 Å²	88	155.8 Å²	155.8	91%	0.907	85%	0.854	S	S	*	*			trans	83.3	131.5	172.3	0	0	0	0	0	113.7
3	G	35.5	Very low	39.5	Very low	76 Å²	76	157.9 Å²	157.9	78%	0.784	85%	0.854	S	S	*	*			cis	175.8	143.3	2.5	0	0	0	0	0	107.8
4	C	47.3	Very low	39.9	Very low	133 Å²	133	157.5 Å²	157.5	90%	0.899	85%	0.851	S	S	*	*			trans	-70.1	139.5	175.6	-62.5	0	0	0	0	111.6
5	V	43.8	Very low	39.7	Very low	151 Å²	151	162.9 Å²	162.9	92%	0.915	85%	0.854	S	S	*	*			trans	-143.1	126.7	150.6	-174.2	0	0	0	0	108
6	G	39.6	Very low	39.8	Very low	62 Å²	62	157.3 Å²	157.3	64%	0.639	85%	0.848	S	S	*	*			trans	-99.6	-166.4	-175.8	0	0	0	0	0	115.4
7	R	40.1	Very low	39.7	Very low	232 Å²	232	153.8 Å²	153.8	88%	0.875	84%	0.838	S	S	*	*			trans	84.1	124.7	-179.3	-49.2	-174.3	-170.6	-157.2	3.4	111.6
8	Y	33	Very low	39.8	Very low	215 Å²	215	150.9 Å²	150.9	84%	0.843	84%	0.839	S	S	*	*				-154.5	151.8	62.2	-97.3	-101.1	0	0	0	112.6
9	W	38.6	Very low	39.7	Very low	247 Å²	247	154.8 Å²	154.8	94%	0.936	84%	0.84	S	S	*	*			trans	-86.4	132	164.4	-81.8	58.3	0	0	0	109.9
10	E	32.6	Very low	40	Very low	195 Å²	195	154.8 Å²	154.8	91%	0.911	84%	0.839	S	S	*	*			trans	171.7	149.9	151.5	-104.2	179.7	90.7	0	0	106.4
11	D	34.4	Very low	39.7	Very low	136 Å²	136	151 Å²	151	73%	0.727	84%	0.836	S	S	*	*			cis	-159.4	151.2	-40.4	176.8	-101.4	0	0	0	103.4
12	S	43.1	Very low	38.9	Very low	82 Å²	82	142.2 Å²	142.2	57%	0.573	81%	0.809	S	S	*	*			trans	63.5	116.4	166.5	-75.3	0	0	0	0	118.1
13	H	34.7	Very low	39	Very low	184 Å²	184	150.2 Å²	150.2	85%	0.852	81%	0.812	S	S	*	*				-172.4	105.9	109.7	-86.4	97.1	0	0	0	109	R15	H13-R15 PolarHBondContact O-N 3.47Å
14	N	45.3	Very low	39.2	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	81%	0.808	S	S	*	*			trans	16.8	97.6	143.1	-167.1	10	0	0	0	117.4
15	R	36.5	Very low	39.1	Very low	238 Å²	238	146.4 Å²	146.4	90%	0.898	80%	0.795	S	S	*	*			trans	-133.2	102.5	142.3	-79.3	-168.9	-176.8	179.2	2	108.8	H13 S17	H13-R15 PolarHBondContact O-N 3.47Å; R15-S17 PolarHBondContact O-N 3.06Å
16	G	41.7	Very low	39.6	Very low	73 Å²	73	150.5 Å²	150.5	75%	0.753	79%	0.794	S	S	*	*			trans	-46	113.3	161	0	0	0	0	0	110.1
17	S	37.9	Very low	40.5	Very low	98 Å²	98	152.8 Å²	152.8	69%	0.685	79%	0.792	S	S	*	*			trans	-123.5	77.2	160.3	-107.9	0	0	0	0	106.1	R15 R19	R15-S17 PolarHBondContact O-N 3.06Å; S17-R19 PolarHBondContact O-N 2.73Å
18	A	42.4	Very low	41.9	Very low	103 Å²	103	145.8 Å²	145.8	85%	0.851	77%	0.769	S	S	*	*			trans	-60.2	81.7	154	0	0	0	0	0	107.2	N20	A18-N20 PolarHBondContact O-N 2.84Å
19	R	37.6	Very low	43.6	Very low	225 Å²	225	139.7 Å²	139.7	85%	0.849	76%	0.756	S	S	*	*			trans	-80.1	84.5	168.6	-71.2	-179.5	86.7	-179.2	5	106.7	S17 G21	S17-R19 PolarHBondContact O-N 2.73Å; R19-G21 PolarHBondContact O-N 3.47Å; R19-G21 VanDerWaalsContact O-N 3.11Å
20	N	45.2	Very low	45.3	Very low	154 Å²	154	128.6 Å²	128.6	82%	0.824	72%	0.715	S	S	*	*			trans	-51.3	107.2	156.2	179.3	35.9	0	0	0	108.4	A18	A18-N20 PolarHBondContact O-N 2.84Å
21	G	33.8	Very low	47.1	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	69%	0.691	S	S	*	*			trans	-154.4	90	178.5	0	0	0	0	0	109.6	R19	R19-G21 PolarHBondContact O-N 3.47Å; R19-G21 VanDerWaalsContact O-N 3.11Å
22	G	31.7	Very low	48.4	Very low	66 Å²	66	124.9 Å²	124.9	68%	0.68	69%	0.689	S	S	*	*			trans	129.3	80.6	170.6	0	0	0	0	0	113.7	G24	G22-G24 PolarHBondContact O-N 3.3Å
23	R	44.9	Very low	49.2	Very low	257 Å²	257	126.8 Å²	126.8	97%	0.97	69%	0.693	S	S	*	*			trans	-66.2	92.6	151	-73.5	-179.8	175.5	-171.6	-1.4	106.6
24	G	39.3	Very low	50.7	Low	67 Å²	67	123 Å²	123	69%	0.691	67%	0.671	S	S	*	*			trans	-152.3	101.5	176.6	0	0	0	0	0	109.2	G22	G22-G24 PolarHBondContact O-N 3.3Å
25	G	45.8	Very low	51.9	Low	61 Å²	61	117.5 Å²	117.5	63%	0.629	64%	0.644	S	S	*	*			trans	49.6	88.7	165.8	0	0	0	0	0	116.8	N27	G25-N27 PolarHBondContact O-N 2.98Å
26	R	52.8	Low	53.2	Low	237 Å²	237	115.2 Å²	115.2	89%	0.894	64%	0.64	S	S	*	*			trans	-65.3	89.2	158.4	-73.6	176.2	176.5	173.1	-3.2	107.7	E28	R26-E28 PolarHBondContact O-N 3.14Å
27	N	59.7	Low	54.7	Low	111 Å²	111	113.9 Å²	113.9	59%	0.594	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-67	126.6	158.6	56.5	62.2	0	0	0	106.6	G25 T97	G25-N27 PolarHBondContact O-N 2.98Å; N27-T97 HydrophobicContact CB-CG2 4.07Å
28	E	68.9	Low	55.7	Low	84 Å²	84	116.6 Å²	116.6	39%	0.393	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-98	133.3	174.2	-159.8	165.3	86.9	0	0	107.2	R26 L30 K31 L98	R26-E28 PolarHBondContact O-N 3.14Å; E28-L30 PolarHBondContact O-N 2.95Å; E28-K31 WeakPolarHBondContact OE1-CE 3.49Å; E28-K31 IonicContact OE1-NZ 3.83Å; E28-K31 PolarHBondContact OE1-NZ 2.75Å; E28-L98 PolarHBondContact N-O 3.33Å
29	P	69.1	Low	56.7	Low	88 Å²	88	112.9 Å²	112.9	57%	0.571	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.4	141.4	178.1	23.9	-33.8	0	0	0	109.7	K31	P29-K31 PolarHBondContact O-N 2.99Å; P29-K31 VanDerWaalsContact O-N 3.09Å
30	L	74.8	Confident	57.6	Low	13 Å²	13	109.3 Å²	109.3	7%	0.068	58%	0.578	C	S	.	*			trans	-44.8	117.2	178.1	-175.9	66.2	0	0	0	112.1	E28 L79 A87 Q88 L98 L103	E28-L30 PolarHBondContact O-N 2.95Å; L30-L79 HydrophobicContact CD1-CD1 4.48Å; L30-L79 HydrophobicContact CD2-CD1 4.27Å; L30-L79 HydrophobicContact CD2-CD2 3.87Å; L30-L79 HydrophobicContact CD2-CG 4.22Å; L30-L79 HydrophobicContact CG-CD2 4.48Å; L30-A87 HydrophobicContact CD2-CB 3.5Å; L30-A87 VanDerWaalsContact CD2-CB 3.5Å; L30-Q88 VanDerWaalsContact N-OE1 3.08Å; L30-L98 HydrophobicContact CB-CD1 4.1Å; L30-L98 HydrophobicContact CD1-CD1 3.7Å; L30-L103 HydrophobicContact CD1-CD1 4.45Å; L30-L103 HydrophobicContact CD1-CD2 3.8Å; L30-L103 HydrophobicContact CD1-CG 3.66Å
31	K	69.8	Low	58.3	Low	95 Å²	95	110.8 Å²	110.8	41%	0.413	57%	0.573	S	S	.	*			trans	-72	139.8	175.9	-74.3	177.7	176.3	142.6	0	109.7	E28 P29 D33 H100 G101	E28-K31 WeakPolarHBondContact OE1-CE 3.49Å; E28-K31 IonicContact OE1-NZ 3.83Å; E28-K31 PolarHBondContact OE1-NZ 2.75Å; P29-K31 PolarHBondContact O-N 2.99Å; P29-K31 VanDerWaalsContact O-N 3.09Å; K31-D33 PolarHBondContact O-N 2.8Å; K31-H100 PolarHBondContact NZ-O 2.77Å; K31-G101 WeakPolarHBondContact CB-O 3.17Å; K31-G101 PolarHBondContact N-O 2.76Å
32	K	60.7	Low	59.5	Low	158 Å²	158	110.7 Å²	110.7	69%	0.687	56%	0.558	S	S	*	*			trans	-73.4	-0.3	174.5	-47.6	-165.2	179.9	-177.9	0	113.4	H84	K32-H84 WeakPolarHBondContact CA-NE2 3.17Å; K32-H84 VanDerWaalsContact CB-NE2 3.3Å; K32-H84 WeakPolarHBondContact CB-NE2 3.45Å; K32-H84 WeakPolarHBondContact CG-CD2 3.28Å
33	D	59.8	Low	60.9	Low	122 Å²	122	109.5 Å²	109.5	65%	0.652	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-84.3	118.3	-171.9	-166.4	-109.9	0	0	0	110.6	K31	K31-D33 PolarHBondContact O-N 2.8Å
34	R	66.9	Low	62.3	Low	105 Å²	105	98.8 Å²	98.8	40%	0.396	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-79.8	126.6	177.6	-66.5	-175.5	179.9	-161.2	-3.8	109.3	K36 L79 E80 A122	R34-K36 PolarHBondContact O-N 2.78Å; R34-K36 VanDerWaalsContact O-N 3.09Å; R34-L79 PolarHBondContact NH2-O 2.88Å; R34-E80 PolarHBondContact NH2-O 2.91Å; R34-A122 HydrophobicContact CB-CB 4.43Å
35	P	70.9	Confident	63.9	Low	37 Å²	37	99.7 Å²	99.7	24%	0.24	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-62.3	117.2	178.5	24	-31.8	0	0	0	110.2	W37 V118 L121 A122	P35-W37 PolarHBondContact O-N 2.82Å; P35-V118 HydrophobicContact CB-CB 4.48Å; P35-V118 HydrophobicContact CB-CG1 4.04Å; P35-V118 HydrophobicContact CG-CB 4.47Å; P35-V118 HydrophobicContact CG-CG1 4.34Å; P35-L121 HydrophobicContact CG-CB 4.12Å; P35-A122 HydrophobicContact CG-CB 4.19Å; P35-A122 WeakPolarHBondContact O-CB 3.17Å
36	K	64	Low	65.2	Low	190 Å²	190	98.4 Å²	98.4	83%	0.826	47%	0.472	S	S	*	.			trans	-81.5	110.5	176.1	-66.1	179.3	-177	178.1	0	109.3	R34	R34-K36 PolarHBondContact O-N 2.78Å; R34-K36 VanDerWaalsContact O-N 3.09Å
37	W	72.3	Confident	66.3	Low	44 Å²	44	92.2 Å²	92.2	17%	0.167	45%	0.453	C	S	.	.			trans	-130.6	158.6	178.5	72.8	-78.8	0	0	0	111.7	P35 L48 V118 Y119 A122 P124 V125	P35-W37 PolarHBondContact O-N 2.82Å; W37-L48 HydrophobicContact CH2-CD1 4.33Å; W37-L48 HydrophobicContact CZ2-CD1 4.15Å; W37-V118 HydrophobicContact CB-CB 4.25Å; W37-V118 HydrophobicContact CB-CG2 3.74Å; W37-V118 HydrophobicContact CD2-CB 4.43Å; W37-V118 HydrophobicContact CD2-CG2 3.62Å; W37-V118 HydrophobicContact CE3-CG2 4.1Å; W37-V118 HydrophobicContact CG-CB 3.89Å; W37-V118 HydrophobicContact CG-CG2 3.42Å; W37-V118 VanDerWaalsContact CG-CG2 3.42Å; W37-V118 PolarHBondContact NE1-O 3Å; W37-Y119 VanDerWaalsContact CH2-CB 3.48Å; W37-A122 PolarHBondContact NE1-O 3.05Å; W37-P124 HydrophobicContact CD2-CB 3.99Å; W37-P124 HydrophobicContact CE3-CB 4.12Å; W37-P124 HydrophobicContact CH2-CB 3.71Å; W37-P124 HydrophobicContact CH2-CG 3.84Å; W37-P124 HydrophobicContact CZ2-CB 3.55Å; W37-P124 VanDerWaalsContact CZ2-CD 3.46Å; W37-P124 HydrophobicContact CZ2-CG 3.69Å; W37-P124 HydrophobicContact CZ3-CB 4Å; W37-P124 CarbonylContact O-C 3.52Å; W37-P124 VanDerWaalsContact O-CA 3.3Å; W37-P124 WeakPolarHBondContact O-CA 3.31Å; W37-V125 PolarHBondContact O-N 2.96Å
38	K	58.7	Low	67.2	Low	156 Å²	156	87.7 Å²	87.7	68%	0.678	43%	0.429	S	S	*	.			trans	-117.2	132.6	176	58	-179.8	-179.4	179.9	0	108.9	V125	K38-V125 HydrophobicContact CB-CG2 3.89Å
39	S	64.4	Low	67.5	Low	24 Å²	24	90.9 Å²	90.9	17%	0.168	44%	0.437	C	S	.	.			trans	-75.7	136.9	166.6	-175.3	0	0	0	0	109	Y41	S39-Y41 WeakPolarHBondContact CB-O 3.27Å; S39-Y41 PolarHBondContact O-N 3.29Å; S39-Y41 PolarHBondContact OG-O 2.84Å
40	D	55.1	Low	68	Low	151 Å²	151	90.5 Å²	90.5	81%	0.807	44%	0.437	S	S	*	.	S	Bend	trans	-62.9	-33.5	177.6	-135.4	-100.2	0	0	0	111
41	Y	60.1	Low	68.3	Low	185 Å²	185	94.6 Å²	94.6	73%	0.725	45%	0.454	S	S	*	.	S	Bend	trans	-111.2	128.7	170.9	-72.4	-90.5	0	0	0	110.3	S39 M43	S39-Y41 WeakPolarHBondContact CB-O 3.27Å; S39-Y41 PolarHBondContact O-N 3.29Å; S39-Y41 PolarHBondContact OG-O 2.84Å; Y41-M43 PolarHBondContact O-N 2.88Å
42	P	59.6	Low	68.9	Low	73 Å²	73	92.7 Å²	92.7	47%	0.474	44%	0.444	S	S	.	.			trans	-62.6	126.3	174.9	28	-33.6	0	0	0	109.2	I128	P42-I128 HydrophobicContact CB-CD1 4.11Å
43	M	61.8	Low	69.9	Low	41 Å²	41	90 Å²	90	20%	0.202	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.2	-171.7	-174.7	134	85.9	0	0	109.4	Y41 Q47 K51 I128	Y41-M43 PolarHBondContact O-N 2.88Å; M43-Q47 HydrophobicContact CE-CB 4.48Å; M43-Q47 HydrophobicContact CG-CB 3.31Å; M43-Q47 HydrophobicContact CG-CG 4.3Å; M43-Q47 VanDerWaalsContact CG-OE1 3.3Å; M43-Q47 HydrophobicContact SD-CB 3.54Å; M43-Q47 VanDerWaalsContact SD-CB 3.54Å; M43-Q47 HydrophobicContact SD-CG 4.43Å; M43-K51 HydrophobicContact CE-CB 4.47Å; M43-K51 HydrophobicContact CE-CD 3.78Å; M43-I128 PolarHBondContact O-N 3.24Å
44	T	73.8	Confident	71	Confident	33 Å²	33	90.4 Å²	90.4	20%	0.202	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	159.8	177.1	61.9	0	0	0	0	111.4	G46 Q47 L48 I128	T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 2.85Å; T44-Q47 PolarHBondContact O-N 3.37Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.46Å; T44-Q47 PolarHBondContact OG1-N 3.3Å; T44-L48 PolarHBondContact O-N 3.01Å; T44-I128 HydrophobicContact CG2-CB 4.44Å
45	E	71.9	Confident	71.8	Confident	85 Å²	85	87.2 Å²	87.2	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-57.7	-37.8	175.3	-173.8	177.8	174.8	0	0	113	L48 R49 L127 I128	E45-L48 PolarHBondContact O-N 3.05Å; E45-R49 PolarHBondContact O-N 2.79Å; E45-L127 HydrophobicContact CB-CD1 4.25Å; E45-L127 HydrophobicContact CB-CD2 4.17Å; E45-L127 HydrophobicContact CB-CG 4.35Å; E45-L127 HydrophobicContact CG-CD2 4.26Å; E45-I128 PolarHBondContact N-O 3.24Å
46	G	73.7	Confident	72.3	Confident	34 Å²	34	86.5 Å²	86.5	35%	0.351	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-46.4	175.5	0	0	0	0	0	112.6	T44 L48 R49 S50	T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 2.85Å; G46-L48 PolarHBondContact O-N 2.91Å; G46-R49 PolarHBondContact O-N 3.35Å; G46-S50 PolarHBondContact O-N 3.09Å; G46-S50 PolarHBondContact O-OG 3.43Å
47	Q	76.1	Confident	73.1	Confident	107 Å²	107	83.6 Å²	83.6	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-36.4	177.7	-73.1	-176.4	-35.1	0	0	112.6	M43 T44 K51	M43-Q47 HydrophobicContact CE-CB 4.48Å; M43-Q47 HydrophobicContact CG-CB 3.31Å; M43-Q47 HydrophobicContact CG-CG 4.3Å; M43-Q47 VanDerWaalsContact CG-OE1 3.3Å; M43-Q47 HydrophobicContact SD-CB 3.54Å; M43-Q47 VanDerWaalsContact SD-CB 3.54Å; M43-Q47 HydrophobicContact SD-CG 4.43Å; T44-Q47 PolarHBondContact O-N 3.37Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.46Å; T44-Q47 PolarHBondContact OG1-N 3.3Å; Q47-K51 WeakPolarHBondContact O-CB 3.08Å; Q47-K51 PolarHBondContact O-N 3.09Å
48	L	77.8	Confident	73.4	Confident	17 Å²	17	84.3 Å²	84.3	9%	0.089	42%	0.42	C	S	.	.	H	α-helix	trans	-62.6	-44.4	172.1	-178.9	68.5	0	0	0	111.1	W37 T44 E45 G46 K51 R52 P123 L127	W37-L48 HydrophobicContact CH2-CD1 4.33Å; W37-L48 HydrophobicContact CZ2-CD1 4.15Å; T44-L48 PolarHBondContact O-N 3.01Å; E45-L48 PolarHBondContact O-N 3.05Å; G46-L48 PolarHBondContact O-N 2.91Å; L48-K51 PolarHBondContact O-N 2.87Å; L48-R52 WeakPolarHBondContact O-CB 3.38Å; L48-R52 PolarHBondContact O-N 2.91Å; L48-P123 HydrophobicContact CD2-CB 4.25Å; L48-L127 HydrophobicContact CB-CD1 4.32Å; L48-L127 HydrophobicContact CD2-CD1 3.9Å
49	R	76.6	Confident	74.2	Confident	150 Å²	150	77 Å²	77	57%	0.566	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-47.3	175.8	-86.9	-158.4	-78	175.3	-7.6	112	E45 G46 K51 R52 D53	E45-R49 PolarHBondContact O-N 2.79Å; G46-R49 PolarHBondContact O-N 3.35Å; R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.72Å; R49-R52 PolarHBondContact O-N 3.22Å; R49-D53 WeakPolarHBondContact O-CB 3.41Å; R49-D53 PolarHBondContact O-N 3.33Å
50	S	79.1	Confident	74.5	Confident	81 Å²	81	78.1 Å²	78.1	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-60.3	-42.5	177.1	-63.9	0	0	0	0	112.1	G46 R52 D53 E54	G46-S50 PolarHBondContact O-N 3.09Å; G46-S50 PolarHBondContact O-OG 3.43Å; S50-R52 VanDerWaalsContact C-N 3.34Å; S50-R52 PolarHBondContact O-N 3.24Å; S50-D53 PolarHBondContact O-N 3.38Å; S50-E54 WeakPolarHBondContact O-CB 3.42Å; S50-E54 PolarHBondContact O-N 3.44Å
51	K	80.3	Confident	75.2	Confident	98 Å²	98	75.1 Å²	75.1	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-36.6	177.3	-167.2	172.8	-173.4	74.4	0	112.6	M43 Q47 L48 R49 F55	M43-K51 HydrophobicContact CE-CB 4.47Å; M43-K51 HydrophobicContact CE-CD 3.78Å; Q47-K51 WeakPolarHBondContact O-CB 3.08Å; Q47-K51 PolarHBondContact O-N 3.09Å; L48-K51 PolarHBondContact O-N 2.87Å; R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.72Å; K51-F55 WeakPolarHBondContact O-CB 3.3Å; K51-F55 PolarHBondContact O-N 3.38Å; K51-F55 VanDerWaalsContact O-N 3.08Å
52	R	84.1	Confident	75.3	Confident	56 Å²	56	74.1 Å²	74.1	21%	0.211	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-42.9	173.5	177.6	172.1	74.5	176.5	2.5	111	L48 R49 S50 F55 W56 E80	L48-R52 WeakPolarHBondContact O-CB 3.38Å; L48-R52 PolarHBondContact O-N 2.91Å; R49-R52 PolarHBondContact O-N 3.22Å; S50-R52 VanDerWaalsContact C-N 3.34Å; S50-R52 PolarHBondContact O-N 3.24Å; R52-F55 WeakPolarHBondContact O-CB 3.47Å; R52-F55 PolarHBondContact O-N 3.25Å; R52-W56 VanDerWaalsContact CG-CD1 3.48Å; R52-W56 PolarHBondContact O-N 3.14Å; R52-E80 IonicContact CZ-OE1 3.76Å; R52-E80 IonicContact CZ-OE2 3.91Å; R52-E80 IonicContact NH1-OE1 3.83Å; R52-E80 PolarHBondContact NH1-OE1 3.18Å; R52-E80 IonicContact NH1-OE2 3.86Å; R52-E80 PolarHBondContact NH1-OE2 2.84Å; R52-E80 IonicContact NH2-OE1 2.73Å; R52-E80 IonicContact NH2-OE2 3.06Å
53	D	80.9	Confident	75.4	Confident	100 Å²	100	78 Å²	78	54%	0.535	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-45.6	179.8	-158.7	-113.2	0	0	0	111.6	R49 S50 F55 W56 D57	R49-D53 WeakPolarHBondContact O-CB 3.41Å; R49-D53 PolarHBondContact O-N 3.33Å; S50-D53 PolarHBondContact O-N 3.38Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.47Å; D53-W56 PolarHBondContact O-N 3.33Å; D53-D57 WeakPolarHBondContact O-CB 3.44Å; D53-D57 PolarHBondContact O-N 3.5Å
54	E	82.6	Confident	75.9	Confident	131 Å²	131	78 Å²	78	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-58.8	-39.9	173.9	-172.7	177.6	83.5	0	0	111.8	S50 T58	S50-E54 WeakPolarHBondContact O-CB 3.42Å; S50-E54 PolarHBondContact O-N 3.44Å; E54-T58 WeakPolarHBondContact O-CB 3.37Å; E54-T58 WeakPolarHBondContact O-CG2 3.39Å; E54-T58 PolarHBondContact O-N 3.25Å; E54-T58 VanDerWaalsContact O-N 3.12Å; E54-T58 PolarHBondContact O-OG1 2.91Å
55	F	83.3	Confident	76.3	Confident	39 Å²	39	81.4 Å²	81.4	17%	0.171	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-46.8	173	-179.3	-94.2	0	0	0	111.6	K51 R52 D53 D57 T58 A59 W69 P117 Y119 C120	K51-F55 WeakPolarHBondContact O-CB 3.3Å; K51-F55 PolarHBondContact O-N 3.38Å; K51-F55 VanDerWaalsContact O-N 3.08Å; R52-F55 WeakPolarHBondContact O-CB 3.47Å; R52-F55 PolarHBondContact O-N 3.25Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.47Å; F55-D57 VanDerWaalsContact C-N 3.33Å; F55-D57 PolarHBondContact O-N 2.88Å; F55-T58 PolarHBondContact O-N 2.76Å; F55-T58 PolarHBondContact O-OG1 3.02Å; F55-A59 HydrophobicContact CD1-CB 4.41Å; F55-A59 HydrophobicContact CE1-CB 4.12Å; F55-A59 HydrophobicContact CZ-CB 4.4Å; F55-A59 WeakPolarHBondContact O-CA 3.43Å; F55-A59 WeakPolarHBondContact O-CB 3.43Å; F55-A59 PolarHBondContact O-N 3.11Å; F55-W69 HydrophobicContact CE1-CH2 4.44Å; F55-W69 HydrophobicContact CE1-CZ3 4.07Å; F55-W69 HydrophobicContact CZ-CH2 4.16Å; F55-W69 HydrophobicContact CZ-CZ3 4.25Å; F55-P117 HydrophobicContact CD2-CG 4.24Å; F55-P117 HydrophobicContact CE1-CG 4.44Å; F55-P117 HydrophobicContact CE2-CG 3.73Å; F55-P117 HydrophobicContact CZ-CG 3.85Å; F55-Y119 HydrophobicContact CB-CE2 4.16Å; F55-Y119 VanDerWaalsContact CD2-OH 3.23Å; F55-Y119 WeakPolarHBondContact CD2-OH 3.31Å; F55-Y119 HydrophobicContact CG-CE2 4.34Å; F55-C120 WeakPolarHBondContact CD1-SG 3.47Å
56	W	81.3	Confident	76.9	Confident	21 Å²	21	84.6 Å²	84.6	8%	0.08	44%	0.436	C	S	.	.	H	α-helix	trans	-69.5	-27.4	-179.7	-75.2	117.5	0	0	0	114.1	R52 D53 P60 W69 L72 K73 L116 C120	R52-W56 VanDerWaalsContact CG-CD1 3.48Å; R52-W56 PolarHBondContact O-N 3.14Å; D53-W56 PolarHBondContact O-N 3.33Å; W56-P60 WeakPolarHBondContact O-CD 3.35Å; W56-W69 HydrophobicContact CE3-CE3 4.36Å; W56-W69 HydrophobicContact CH2-CE3 4.41Å; W56-W69 AromaticContact CZ3-CE3 3.68Å; W56-W69 HydrophobicContact CZ3-CE3 3.68Å; W56-W69 HydrophobicContact CZ3-CZ3 4.26Å; W56-W69 VanDerWaalsContact CZ3-O 3.29Å; W56-W69 WeakPolarHBondContact CZ3-O 3.36Å; W56-L72 HydrophobicContact CH2-CB 4.16Å; W56-K73 HydrophobicContact CB-CD 4.3Å; W56-K73 HydrophobicContact CD2-CB 4.08Å; W56-K73 HydrophobicContact CD2-CD 3.91Å; W56-K73 HydrophobicContact CD2-CG 3.85Å; W56-K73 HydrophobicContact CE3-CB 3.81Å; W56-K73 HydrophobicContact CE3-CD 4.11Å; W56-K73 HydrophobicContact CE3-CG 4.07Å; W56-K73 HydrophobicContact CG-CD 3.97Å; W56-K73 HydrophobicContact CG-CG 4.28Å; W56-K73 VanDerWaalsContact CH2-CA 3.42Å; W56-K73 HydrophobicContact CH2-CB 3.7Å; W56-K73 HydrophobicContact CH2-CG 4.33Å; W56-K73 HydrophobicContact CZ2-CB 4Å; W56-K73 HydrophobicContact CZ2-CG 4.15Å; W56-K73 HydrophobicContact CZ3-CB 3.58Å; W56-K73 HydrophobicContact CZ3-CG 4.28Å; W56-L116 HydrophobicContact CH2-CD2 3.76Å; W56-L116 HydrophobicContact CZ2-CD2 4.09Å; W56-C120 HydrophobicContact CZ2-CB 4.35Å
57	D	81.4	Confident	77.6	Confident	129 Å²	129	89.8 Å²	89.8	69%	0.69	45%	0.45	S	S	*	.	H	α-helix	trans	-71.7	-38.2	174.3	-168.8	-105.9	0	0	0	111.3	D53 F55	D53-D57 WeakPolarHBondContact O-CB 3.44Å; D53-D57 PolarHBondContact O-N 3.5Å; F55-D57 VanDerWaalsContact C-N 3.33Å; F55-D57 PolarHBondContact O-N 2.88Å
58	T	79.4	Confident	78.2	Confident	59 Å²	59	85.1 Å²	85.1	36%	0.362	43%	0.429	S	S	.	.	H	α-helix	trans	-91	-24.7	-177.7	57.5	0	0	0	0	114.5	E54 F55 A61	E54-T58 WeakPolarHBondContact O-CB 3.37Å; E54-T58 WeakPolarHBondContact O-CG2 3.39Å; E54-T58 PolarHBondContact O-N 3.25Å; E54-T58 VanDerWaalsContact O-N 3.12Å; E54-T58 PolarHBondContact O-OG1 2.91Å; F55-T58 PolarHBondContact O-N 2.76Å; F55-T58 PolarHBondContact O-OG1 3.02Å; T58-A61 WeakPolarHBondContact O-CB 3.36Å; T58-A61 PolarHBondContact O-N 3.36Å
59	A	73.8	Confident	78.7	Confident	4 Å²	4	85.2 Å²	85.2	3%	0.033	43%	0.428	C	S	.	.	H	α-helix	trans	-52.3	-46.8	179.5	0	0	0	0	0	114.6	F55 A61 F62 W69	F55-A59 HydrophobicContact CD1-CB 4.41Å; F55-A59 HydrophobicContact CE1-CB 4.12Å; F55-A59 HydrophobicContact CZ-CB 4.4Å; F55-A59 WeakPolarHBondContact O-CA 3.43Å; F55-A59 WeakPolarHBondContact O-CB 3.43Å; F55-A59 PolarHBondContact O-N 3.11Å; A59-A61 PolarHBondContact O-N 3.49Å; A59-A61 VanDerWaalsContact O-N 3.15Å; A59-F62 PolarHBondContact O-N 3.12Å; A59-W69 HydrophobicContact CB-CD2 3.92Å; A59-W69 HydrophobicContact CB-CE3 3.89Å; A59-W69 HydrophobicContact CB-CH2 4.13Å; A59-W69 HydrophobicContact CB-CZ2 4.18Å; A59-W69 HydrophobicContact CB-CZ3 3.99Å; A59-W69 PolarHBondContact O-NE1 2.91Å
60	P	71.4	Confident	79.3	Confident	46 Å²	46	83.1 Å²	83.1	30%	0.299	43%	0.428	S	S	.	.	H	α-helix	trans	-68.9	-10.3	179	26.5	-34	0	0	0	113.9	W56 K66	W56-P60 WeakPolarHBondContact O-CD 3.35Å; P60-K66 HydrophobicContact CB-CB 4.27Å; P60-K66 HydrophobicContact CB-CG 3.99Å
61	A	69.8	Low	79.8	Confident	88 Å²	88	79.9 Å²	79.9	73%	0.727	41%	0.406	S	S	*	.	H	α-helix	trans	-88.9	-17.8	175.6	0	0	0	0	0	113.4	T58 A59	T58-A61 WeakPolarHBondContact O-CB 3.36Å; T58-A61 PolarHBondContact O-N 3.36Å; A59-A61 PolarHBondContact O-N 3.49Å; A59-A61 VanDerWaalsContact O-N 3.15Å
62	F	62.8	Low	80.2	Confident	165 Å²	165	75.2 Å²	75.2	72%	0.724	39%	0.386	S	S	*	.	H	α-helix	trans	-88.4	-44	-170.6	-102.7	-92.8	0	0	0	113.9	A59	A59-F62 PolarHBondContact O-N 3.12Å
63	E	60.5	Low	80.4	Confident	153 Å²	153	76.4 Å²	76.4	72%	0.715	39%	0.393	S	S	*	.	S	Bend	trans	-172.8	146.7	178.4	-110.8	163.5	104.7	0	0	112	W69	E63-W69 PolarHBondContact O-NE1 3.13Å
64	G	73.4	Confident	80.8	Confident	42 Å²	42	73.6 Å²	73.6	43%	0.433	38%	0.383	S	S	.	.	S	Bend	trans	91	-172.2	173.2	0	0	0	0	0	116.1	Y114	G64-Y114 WeakPolarHBondContact CA-OH 3.49Å
65	R	83	Confident	81.1	Confident	105 Å²	105	67.3 Å²	67.3	40%	0.396	35%	0.354	S	S	.	.			trans	-84.9	132.6	177.6	-68.9	-173.7	-166.1	-165.3	8.8	110.2	E67 I68 W69 Y114	R65-E67 PolarHBondContact O-N 2.87Å; R65-I68 HydrophobicContact CB-CG1 4.04Å; R65-I68 PolarHBondContact O-N 2.87Å; R65-W69 PolarHBondContact O-N 2.86Å; R65-Y114 PolarHBondContact N-OH 3.3Å
66	K	84.1	Confident	81.2	Confident	152 Å²	152	65.7 Å²	65.7	66%	0.661	35%	0.347	S	S	*	.	H	α-helix	trans	-55.7	-33.4	173.8	-176.2	-176.9	176.8	-168.4	0	112.4	P60 I68 W69 D70	P60-K66 HydrophobicContact CB-CB 4.27Å; P60-K66 HydrophobicContact CB-CG 3.99Å; K66-I68 VanDerWaalsContact C-N 3.31Å; K66-I68 PolarHBondContact O-N 3.45Å; K66-W69 PolarHBondContact O-N 2.78Å; K66-D70 WeakPolarHBondContact O-CB 3.21Å; K66-D70 PolarHBondContact O-N 3.31Å
67	E	87.7	Confident	81.3	Confident	142 Å²	142	68 Å²	68	66%	0.664	36%	0.364	S	S	*	.	H	α-helix	trans	-60.4	-40.2	177.3	-62.1	177.7	103.2	0	0	112.2	R65 D70 A71	R65-E67 PolarHBondContact O-N 2.87Å; E67-D70 PolarHBondContact O-N 2.97Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.28Å
68	I	88.9	Confident	81.6	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.046	33%	0.333	C	S	.	.	H	α-helix	trans	-70	-40.9	177.7	-57.9	-60.5	0	0	0	110.2	R65 K66 D70 A71 L72 A94 I96 D108 Y114	R65-I68 HydrophobicContact CB-CG1 4.04Å; R65-I68 PolarHBondContact O-N 2.87Å; K66-I68 VanDerWaalsContact C-N 3.31Å; K66-I68 PolarHBondContact O-N 3.45Å; I68-D70 PolarHBondContact O-N 2.8Å; I68-A71 PolarHBondContact O-N 2.93Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CB 3.43Å; I68-L72 WeakPolarHBondContact O-CD1 3.38Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.48Å; I68-A94 HydrophobicContact CD1-CB 4.27Å; I68-A94 WeakPolarHBondContact CD1-O 3.42Å; I68-I96 HydrophobicContact CD1-CG1 4.18Å; I68-I96 HydrophobicContact CG2-CD1 3.94Å; I68-I96 HydrophobicContact CG2-CG1 4.06Å; I68-D108 WeakPolarHBondContact CD1-OD2 3.34Å; I68-D108 HydrophobicContact CG1-CB 4.44Å; I68-Y114 HydrophobicContact CB-CE1 3.94Å; I68-Y114 HydrophobicContact CB-CE2 4.23Å; I68-Y114 HydrophobicContact CG2-CD1 4.06Å; I68-Y114 HydrophobicContact CG2-CD2 3.86Å; I68-Y114 HydrophobicContact CG2-CE1 3.8Å; I68-Y114 HydrophobicContact CG2-CE2 3.62Å; I68-Y114 HydrophobicContact CG2-CG 4.09Å
69	W	88.2	Confident	81.7	Confident	20 Å²	20	60.5 Å²	60.5	8%	0.076	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-40.5	173.9	-78.3	113.6	0	0	0	112.8	F55 W56 A59 E63 R65 K66 L72 K73 Y114 L116	F55-W69 HydrophobicContact CE1-CH2 4.44Å; F55-W69 HydrophobicContact CE1-CZ3 4.07Å; F55-W69 HydrophobicContact CZ-CH2 4.16Å; F55-W69 HydrophobicContact CZ-CZ3 4.25Å; W56-W69 HydrophobicContact CE3-CE3 4.36Å; W56-W69 HydrophobicContact CH2-CE3 4.41Å; W56-W69 AromaticContact CZ3-CE3 3.68Å; W56-W69 HydrophobicContact CZ3-CE3 3.68Å; W56-W69 HydrophobicContact CZ3-CZ3 4.26Å; W56-W69 VanDerWaalsContact CZ3-O 3.29Å; W56-W69 WeakPolarHBondContact CZ3-O 3.36Å; A59-W69 HydrophobicContact CB-CD2 3.92Å; A59-W69 HydrophobicContact CB-CE3 3.89Å; A59-W69 HydrophobicContact CB-CH2 4.13Å; A59-W69 HydrophobicContact CB-CZ2 4.18Å; A59-W69 HydrophobicContact CB-CZ3 3.99Å; A59-W69 PolarHBondContact O-NE1 2.91Å; E63-W69 PolarHBondContact O-NE1 3.13Å; R65-W69 PolarHBondContact O-N 2.86Å; K66-W69 PolarHBondContact O-N 2.78Å; W69-L72 HydrophobicContact CE3-CD1 4.34Å; W69-L72 PolarHBondContact O-N 3.01Å; W69-K73 WeakPolarHBondContact O-CB 3.49Å; W69-K73 PolarHBondContact O-N 3.31Å; W69-Y114 AromaticContact CD1-CE1 3.83Å; W69-Y114 AromaticContact CD2-CD1 4Å; W69-Y114 HydrophobicContact CD2-CD1 4Å; W69-Y114 HydrophobicContact CD2-CE1 4.47Å; W69-Y114 AromaticContact CE2-CD1 3.56Å; W69-Y114 HydrophobicContact CG-CD1 4.37Å; W69-Y114 HydrophobicContact CG-CE1 4.39Å; W69-Y114 HydrophobicContact CH2-CD1 4.49Å; W69-Y114 AromaticContact CZ2-CD1 3.85Å; W69-Y114 HydrophobicContact CZ2-CD1 3.85Å; W69-Y114 AromaticContact NE1-CD1 3.62Å; W69-Y114 AromaticContact NE1-CE1 3.59Å; W69-L116 HydrophobicContact CZ3-CD1 4.15Å; W69-L116 HydrophobicContact CZ3-CG 4.27Å
70	D	89	Confident	81.9	Confident	106 Å²	106	64 Å²	64	57%	0.567	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-45.4	175.8	-170.1	-104	0	0	0	111.6	K66 E67 I68 L72 K73 A74	K66-D70 WeakPolarHBondContact O-CB 3.21Å; K66-D70 PolarHBondContact O-N 3.31Å; E67-D70 PolarHBondContact O-N 2.97Å; I68-D70 PolarHBondContact O-N 2.8Å; D70-L72 PolarHBondContact O-N 3.04Å; D70-K73 WeakPolarHBondContact O-CB 3.3Å; D70-K73 PolarHBondContact O-N 2.87Å; D70-A74 PolarHBondContact O-N 3.37Å
71	A	90.7	Very high	82.3	Confident	12 Å²	12	66.5 Å²	66.5	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-43.9	174.3	0	0	0	0	0	112.1	E67 I68 K73 A74 A75 I90 A94 I96	E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.28Å; I68-A71 PolarHBondContact O-N 2.93Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 3.39Å; A71-A74 PolarHBondContact O-N 3.5Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.15Å; A71-I90 HydrophobicContact CB-CG2 3.86Å; A71-I90 WeakPolarHBondContact O-CG2 3.45Å; A71-A94 HydrophobicContact CB-CB 3.57Å; A71-I96 HydrophobicContact CB-CD1 4.18Å
72	L	88.4	Confident	82.9	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-37.6	177.1	-72.4	167.6	0	0	0	112.1	W56 I68 W69 D70 A76 I96 L103 C106 Y114 L116	W56-L72 HydrophobicContact CH2-CB 4.16Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CB 3.43Å; I68-L72 WeakPolarHBondContact O-CD1 3.38Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.48Å; W69-L72 HydrophobicContact CE3-CD1 4.34Å; W69-L72 PolarHBondContact O-N 3.01Å; D70-L72 PolarHBondContact O-N 3.04Å; L72-A76 WeakPolarHBondContact O-CB 3.3Å; L72-A76 PolarHBondContact O-N 3.17Å; L72-I96 HydrophobicContact CD2-CD1 3.91Å; L72-I96 HydrophobicContact CD2-CG2 4.46Å; L72-I96 HydrophobicContact CG-CD1 3.96Å; L72-L103 HydrophobicContact CD2-CD2 4.27Å; L72-C106 HydrophobicContact CD1-CB 4.45Å; L72-C106 HydrophobicContact CD2-CB 3.92Å; L72-C106 WeakPolarHBondContact CD2-SG 3.3Å; L72-Y114 HydrophobicContact CD1-CD1 4.14Å; L72-Y114 HydrophobicContact CD1-CG 3.97Å; L72-L116 HydrophobicContact CB-CD2 4.27Å; L72-L116 HydrophobicContact CD1-CD1 3.84Å; L72-L116 HydrophobicContact CD2-CD1 4.28Å; L72-L116 HydrophobicContact CG-CD1 4.44Å
73	K	87.4	Confident	84	Confident	82 Å²	82	62.5 Å²	62.5	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-48.1	173.8	-170.2	176.7	-177.8	176.2	0	110.9	W56 W69 D70 A71 A75 A76 V77	W56-K73 HydrophobicContact CB-CD 4.3Å; W56-K73 HydrophobicContact CD2-CB 4.08Å; W56-K73 HydrophobicContact CD2-CD 3.91Å; W56-K73 HydrophobicContact CD2-CG 3.85Å; W56-K73 HydrophobicContact CE3-CB 3.81Å; W56-K73 HydrophobicContact CE3-CD 4.11Å; W56-K73 HydrophobicContact CE3-CG 4.07Å; W56-K73 HydrophobicContact CG-CD 3.97Å; W56-K73 HydrophobicContact CG-CG 4.28Å; W56-K73 VanDerWaalsContact CH2-CA 3.42Å; W56-K73 HydrophobicContact CH2-CB 3.7Å; W56-K73 HydrophobicContact CH2-CG 4.33Å; W56-K73 HydrophobicContact CZ2-CB 4Å; W56-K73 HydrophobicContact CZ2-CG 4.15Å; W56-K73 HydrophobicContact CZ3-CB 3.58Å; W56-K73 HydrophobicContact CZ3-CG 4.28Å; W69-K73 WeakPolarHBondContact O-CB 3.49Å; W69-K73 PolarHBondContact O-N 3.31Å; D70-K73 WeakPolarHBondContact O-CB 3.3Å; D70-K73 PolarHBondContact O-N 2.87Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 3.39Å; K73-A75 VanDerWaalsContact C-N 3.34Å; K73-A75 PolarHBondContact O-N 3.47Å; K73-A76 PolarHBondContact O-N 3.3Å; K73-V77 WeakPolarHBondContact O-CG2 3.11Å; K73-V77 PolarHBondContact O-N 3.27Å
74	A	88.9	Confident	85	Confident	40 Å²	40	56.6 Å²	56.6	33%	0.331	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-41	178.4	0	0	0	0	0	111.9	D70 A71 V77 A78 I90	D70-A74 PolarHBondContact O-N 3.37Å; A71-A74 PolarHBondContact O-N 3.5Å; A74-V77 PolarHBondContact O-N 3.19Å; A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.15Å; A74-I90 HydrophobicContact CB-CD1 3.91Å; A74-I90 HydrophobicContact CB-CG2 4.29Å
75	A	88.8	Confident	85.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-40.7	174.9	0	0	0	0	0	112	A71 K73 A78 L79 I90 V91 L103	A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.15Å; K73-A75 VanDerWaalsContact C-N 3.34Å; K73-A75 PolarHBondContact O-N 3.47Å; A75-A78 PolarHBondContact O-N 2.96Å; A75-L79 WeakPolarHBondContact O-CG 3.38Å; A75-L79 PolarHBondContact O-N 3.29Å; A75-I90 HydrophobicContact CB-CB 4.36Å; A75-I90 HydrophobicContact CB-CG2 4.12Å; A75-V91 HydrophobicContact CB-CG2 4.07Å; A75-L103 HydrophobicContact CB-CD1 3.99Å
76	A	85.6	Confident	86	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-43.7	174.8	0	0	0	0	0	111.9	L72 K73 L79 E80 L121	L72-A76 WeakPolarHBondContact O-CB 3.3Å; L72-A76 PolarHBondContact O-N 3.17Å; K73-A76 PolarHBondContact O-N 3.3Å; A76-L79 WeakPolarHBondContact O-CB 3.36Å; A76-L79 PolarHBondContact O-N 3.25Å; A76-E80 WeakPolarHBondContact O-CG 3.44Å; A76-E80 PolarHBondContact O-N 3.36Å; A76-L121 HydrophobicContact CB-CD2 3.99Å
77	V	84.7	Confident	86.2	Confident	70 Å²	70	54.5 Å²	54.5	42%	0.424	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-40.2	176.5	173.5	0	0	0	0	111.6	K73 A74 L79 E80 C81	K73-V77 WeakPolarHBondContact O-CG2 3.11Å; K73-V77 PolarHBondContact O-N 3.27Å; A74-V77 PolarHBondContact O-N 3.19Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 2.96Å; V77-E80 WeakPolarHBondContact O-CB 3.07Å; V77-E80 PolarHBondContact O-N 3.08Å; V77-E80 VanDerWaalsContact O-N 3.1Å; V77-C81 PolarHBondContact O-N 2.78Å; V77-C81 VanDerWaalsContact O-N 3.1Å
78	A	86.4	Confident	86.1	Confident	5 Å²	5	50.6 Å²	50.6	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-39.8	174.6	0	0	0	0	0	111.7	A74 A75 E80 C81 N82 D83 L86 A87 I90	A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.15Å; A75-A78 PolarHBondContact O-N 2.96Å; A78-E80 VanDerWaalsContact C-N 3.33Å; A78-E80 PolarHBondContact O-N 3.17Å; A78-C81 CarbonylContact O-C 3.54Å; A78-C81 PolarHBondContact O-N 2.98Å; A78-N82 PolarHBondContact O-N 2.83Å; A78-D83 CarbonylContact C-O 3.57Å; A78-D83 PolarHBondContact O-N 3.06Å; A78-L86 HydrophobicContact CB-CB 4.22Å; A78-L86 HydrophobicContact CB-CD2 4.02Å; A78-L86 HydrophobicContact CB-CG 4.06Å; A78-A87 HydrophobicContact CB-CB 3.81Å; A78-I90 HydrophobicContact CB-CD1 4.39Å
79	L	81.6	Confident	86.1	Confident	25 Å²	25	53 Å²	53	13%	0.131	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-34.6	172.1	-74.2	178.7	0	0	0	113.1	L30 R34 A75 A76 V77 C81 N82 A87 L103	L30-L79 HydrophobicContact CD1-CD1 4.48Å; L30-L79 HydrophobicContact CD2-CD1 4.27Å; L30-L79 HydrophobicContact CD2-CD2 3.87Å; L30-L79 HydrophobicContact CD2-CG 4.22Å; L30-L79 HydrophobicContact CG-CD2 4.48Å; R34-L79 PolarHBondContact NH2-O 2.88Å; A75-L79 WeakPolarHBondContact O-CG 3.38Å; A75-L79 PolarHBondContact O-N 3.29Å; A76-L79 WeakPolarHBondContact O-CB 3.36Å; A76-L79 PolarHBondContact O-N 3.25Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 2.96Å; L79-C81 VanDerWaalsContact C-N 3.33Å; L79-N82 PolarHBondContact O-N 2.64Å; L79-N82 VanDerWaalsContact O-N 3.09Å; L79-A87 HydrophobicContact CD2-CB 4.1Å; L79-A87 HydrophobicContact CG-CB 4.03Å; L79-L103 HydrophobicContact CD1-CD1 3.4Å; L79-L103 VanDerWaalsContact CD1-CD1 3.4Å; L79-L103 HydrophobicContact CD1-CG 4.1Å; L79-L103 HydrophobicContact CG-CD1 4.4Å
80	E	78.4	Confident	86.3	Confident	77 Å²	77	53.8 Å²	53.8	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-44.1	173.5	-68.3	-176	102.9	0	0	111	R34 R52 A76 V77 A78 N82	R34-E80 PolarHBondContact NH2-O 2.91Å; R52-E80 IonicContact CZ-OE1 3.76Å; R52-E80 IonicContact CZ-OE2 3.91Å; R52-E80 IonicContact NH1-OE1 3.83Å; R52-E80 PolarHBondContact NH1-OE1 3.18Å; R52-E80 IonicContact NH1-OE2 3.86Å; R52-E80 PolarHBondContact NH1-OE2 2.84Å; R52-E80 IonicContact NH2-OE1 2.73Å; R52-E80 IonicContact NH2-OE2 3.06Å; A76-E80 WeakPolarHBondContact O-CG 3.44Å; A76-E80 PolarHBondContact O-N 3.36Å; V77-E80 WeakPolarHBondContact O-CB 3.07Å; V77-E80 PolarHBondContact O-N 3.08Å; V77-E80 VanDerWaalsContact O-N 3.1Å; A78-E80 VanDerWaalsContact C-N 3.33Å; A78-E80 PolarHBondContact O-N 3.17Å; E80-N82 PolarHBondContact O-N 2.92Å
81	C	80.4	Confident	86.2	Confident	99 Å²	99	49 Å²	49	67%	0.669	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	1.8	174.5	-68.5	0	0	0	0	114.2	V77 A78 L79 D83	V77-C81 PolarHBondContact O-N 2.78Å; V77-C81 VanDerWaalsContact O-N 3.1Å; A78-C81 CarbonylContact O-C 3.54Å; A78-C81 PolarHBondContact O-N 2.98Å; L79-C81 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 3.19Å
82	N	81.2	Confident	86	Confident	103 Å²	103	54.4 Å²	54.4	55%	0.551	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	20.6	-176.6	-154.5	84.8	0	0	0	113.3	A78 L79 E80 H84	A78-N82 PolarHBondContact O-N 2.83Å; L79-N82 PolarHBondContact O-N 2.64Å; L79-N82 VanDerWaalsContact O-N 3.09Å; E80-N82 PolarHBondContact O-N 2.92Å; N82-H84 PolarHBondContact O-CE1 3.21Å; N82-H84 PolarHBondContact O-N 3.5Å; N82-H84 PolarHBondContact O-ND1 3.27Å
83	D	86.4	Confident	85.9	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.353	33%	0.331	S	S	.	.			trans	-93.8	91.3	177.1	-166.3	-20.3	0	0	0	109.8	A78 C81 E85 L86 A87	A78-D83 CarbonylContact C-O 3.57Å; A78-D83 PolarHBondContact O-N 3.06Å; C81-D83 PolarHBondContact O-N 3.19Å; D83-E85 PolarHBondContact OD1-N 3.09Å; D83-L86 HydrophobicContact CB-CB 4.16Å; D83-L86 VanDerWaalsContact OD1-CB 3.31Å; D83-L86 WeakPolarHBondContact OD1-CB 2.91Å; D83-L86 PolarHBondContact OD1-N 3.3Å; D83-L86 WeakPolarHBondContact OD2-CB 3.33Å; D83-A87 WeakPolarHBondContact O-CB 3.21Å; D83-A87 PolarHBondContact O-N 3.22Å
84	H	82.8	Confident	86	Confident	30 Å²	30	54.6 Å²	54.6	14%	0.139	32%	0.322	C	S	.	.	H	α-helix	trans	-81.7	-26.2	-175.3	-61.4	82.5	0	0	0	112.3	K32 N82 Q88	K32-H84 WeakPolarHBondContact CA-NE2 3.17Å; K32-H84 VanDerWaalsContact CB-NE2 3.3Å; K32-H84 WeakPolarHBondContact CB-NE2 3.45Å; K32-H84 WeakPolarHBondContact CG-CD2 3.28Å; N82-H84 PolarHBondContact O-CE1 3.21Å; N82-H84 PolarHBondContact O-N 3.5Å; N82-H84 PolarHBondContact O-ND1 3.27Å; H84-Q88 WeakPolarHBondContact O-CB 3.34Å; H84-Q88 PolarHBondContact O-N 3.46Å
85	E	87.5	Confident	85.9	Confident	169 Å²	169	55.6 Å²	55.6	79%	0.79	33%	0.327	S	S	*	.	H	α-helix	trans	-71.7	-45.6	178.6	-65.8	-178.2	86.7	0	0	109.4	D83 Q88 A89	D83-E85 PolarHBondContact OD1-N 3.09Å; E85-Q88 PolarHBondContact O-N 2.9Å; E85-A89 WeakPolarHBondContact O-CB 3.29Å; E85-A89 PolarHBondContact O-N 3.06Å
86	L	88.9	Confident	85.8	Confident	86 Å²	86	56.1 Å²	56.1	45%	0.45	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-46.1	173	-176.8	62.1	0	0	0	111.5	A78 D83 Q88 A89 I90	A78-L86 HydrophobicContact CB-CB 4.22Å; A78-L86 HydrophobicContact CB-CD2 4.02Å; A78-L86 HydrophobicContact CB-CG 4.06Å; D83-L86 HydrophobicContact CB-CB 4.16Å; D83-L86 VanDerWaalsContact OD1-CB 3.31Å; D83-L86 WeakPolarHBondContact OD1-CB 2.91Å; D83-L86 PolarHBondContact OD1-N 3.3Å; D83-L86 WeakPolarHBondContact OD2-CB 3.33Å; L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-Q88 PolarHBondContact O-N 3.26Å; L86-A89 PolarHBondContact O-N 3.46Å; L86-I90 HydrophobicContact CD1-CD1 4.23Å; L86-I90 HydrophobicContact CD1-CG1 4.45Å; L86-I90 HydrophobicContact CG-CD1 3.93Å; L86-I90 WeakPolarHBondContact O-CD1 3.43Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 2.83Å; L86-I90 PolarHBondContact O-N 3.31Å
87	A	88	Confident	85.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-42.3	178.3	0	0	0	0	0	112.3	L30 A78 L79 D83 I90 V91	L30-A87 HydrophobicContact CD2-CB 3.5Å; L30-A87 VanDerWaalsContact CD2-CB 3.5Å; A78-A87 HydrophobicContact CB-CB 3.81Å; L79-A87 HydrophobicContact CD2-CB 4.1Å; L79-A87 HydrophobicContact CG-CB 4.03Å; D83-A87 WeakPolarHBondContact O-CB 3.21Å; D83-A87 PolarHBondContact O-N 3.22Å; A87-I90 PolarHBondContact O-N 3.34Å; A87-V91 VanDerWaalsContact O-CG2 3.31Å; A87-V91 WeakPolarHBondContact O-CG2 3.39Å; A87-V91 PolarHBondContact O-N 3.47Å; A87-V91 VanDerWaalsContact O-N 3.15Å
88	Q	85.8	Confident	85.7	Confident	60 Å²	60	55.2 Å²	55.2	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-43.6	175.2	-166	84	-100.7	0	0	111.6	L30 H84 E85 L86 I90 V91 D92	L30-Q88 VanDerWaalsContact N-OE1 3.08Å; H84-Q88 WeakPolarHBondContact O-CB 3.34Å; H84-Q88 PolarHBondContact O-N 3.46Å; E85-Q88 PolarHBondContact O-N 2.9Å; L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-Q88 PolarHBondContact O-N 3.26Å; Q88-I90 VanDerWaalsContact C-N 3.25Å; Q88-I90 PolarHBondContact O-N 2.91Å; Q88-V91 PolarHBondContact O-N 3.42Å; Q88-D92 WeakPolarHBondContact O-CB 3.4Å; Q88-D92 PolarHBondContact O-N 3.09Å
89	A	89.9	Confident	85.3	Confident	59 Å²	59	57.3 Å²	57.3	49%	0.488	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-36.1	179.3	0	0	0	0	0	111.9	E85 L86 G93	E85-A89 WeakPolarHBondContact O-CB 3.29Å; E85-A89 PolarHBondContact O-N 3.06Å; L86-A89 PolarHBondContact O-N 3.46Å; A89-G93 PolarHBondContact O-N 3.09Å
90	I	90.5	Very high	84.9	Confident	37 Å²	37	61.1 Å²	61.1	19%	0.19	35%	0.354	C	S	.	.	H	α-helix	trans	-67.4	-45.4	175.1	-65.7	161.4	0	0	0	110.9	A71 A74 A75 A78 L86 A87 Q88 A94	A71-I90 HydrophobicContact CB-CG2 3.86Å; A71-I90 WeakPolarHBondContact O-CG2 3.45Å; A74-I90 HydrophobicContact CB-CD1 3.91Å; A74-I90 HydrophobicContact CB-CG2 4.29Å; A75-I90 HydrophobicContact CB-CB 4.36Å; A75-I90 HydrophobicContact CB-CG2 4.12Å; A78-I90 HydrophobicContact CB-CD1 4.39Å; L86-I90 HydrophobicContact CD1-CD1 4.23Å; L86-I90 HydrophobicContact CD1-CG1 4.45Å; L86-I90 HydrophobicContact CG-CD1 3.93Å; L86-I90 WeakPolarHBondContact O-CD1 3.43Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 2.83Å; L86-I90 PolarHBondContact O-N 3.31Å; A87-I90 PolarHBondContact O-N 3.34Å; Q88-I90 VanDerWaalsContact C-N 3.25Å; Q88-I90 PolarHBondContact O-N 2.91Å; I90-A94 VanDerWaalsContact O-CB 3.26Å; I90-A94 WeakPolarHBondContact O-CB 3.3Å; I90-A94 PolarHBondContact O-N 3.2Å
91	V	88.5	Confident	84.8	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.024	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-46.4	178.7	169.9	0	0	0	0	111.2	A75 A87 Q88 A94 S95 I96 L98 L103	A75-V91 HydrophobicContact CB-CG2 4.07Å; A87-V91 VanDerWaalsContact O-CG2 3.31Å; A87-V91 WeakPolarHBondContact O-CG2 3.39Å; A87-V91 PolarHBondContact O-N 3.47Å; A87-V91 VanDerWaalsContact O-N 3.15Å; Q88-V91 PolarHBondContact O-N 3.42Å; V91-A94 PolarHBondContact O-N 2.89Å; V91-S95 PolarHBondContact O-N 3.22Å; V91-I96 HydrophobicContact CG1-CB 3.89Å; V91-I96 HydrophobicContact CG1-CG2 4.16Å; V91-I96 WeakPolarHBondContact CG1-O 2.93Å; V91-I96 PolarHBondContact O-N 3.42Å; V91-L98 HydrophobicContact CG1-CD1 4.01Å; V91-L98 HydrophobicContact CG1-CG 4.11Å; V91-L103 HydrophobicContact CG2-CD2 3.85Å
92	D	86.5	Confident	84.8	Confident	126 Å²	126	54.6 Å²	54.6	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-65.8	-45.5	178.3	-170.8	-94.8	0	0	0	111.4	Q88 A94 S95	Q88-D92 WeakPolarHBondContact O-CB 3.4Å; Q88-D92 PolarHBondContact O-N 3.09Å; D92-A94 VanDerWaalsContact C-N 3.25Å; D92-A94 PolarHBondContact O-N 3.2Å; D92-S95 PolarHBondContact O-N 2.99Å
93	G	86.2	Confident	84.8	Confident	64 Å²	64	49.9 Å²	49.9	66%	0.66	29%	0.291	S	S	*	.	H	α-helix	trans	-63.6	-29.5	177.5	0	0	0	0	0	113.7	A89 S95	A89-G93 PolarHBondContact O-N 3.09Å; G93-S95 VanDerWaalsContact C-N 3.32Å
94	A	88.3	Confident	84.6	Confident	22 Å²	22	48.1 Å²	48.1	18%	0.182	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.7	174.6	0	0	0	0	0	113.6	I68 A71 I90 V91 D92 I96	I68-A94 HydrophobicContact CD1-CB 4.27Å; I68-A94 WeakPolarHBondContact CD1-O 3.42Å; A71-A94 HydrophobicContact CB-CB 3.57Å; I90-A94 VanDerWaalsContact O-CB 3.26Å; I90-A94 WeakPolarHBondContact O-CB 3.3Å; I90-A94 PolarHBondContact O-N 3.2Å; V91-A94 PolarHBondContact O-N 2.89Å; D92-A94 VanDerWaalsContact C-N 3.25Å; D92-A94 PolarHBondContact O-N 3.2Å; A94-I96 HydrophobicContact CB-CD1 3.57Å; A94-I96 HydrophobicContact CB-CG1 3.74Å; A94-I96 PolarHBondContact O-N 2.85Å
95	S	87.8	Confident	84.7	Confident	62 Å²	62	49.6 Å²	49.6	43%	0.434	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	33.4	-176.6	-60.4	0	0	0	0	113.7	V91 D92 G93	V91-S95 PolarHBondContact O-N 3.22Å; D92-S95 PolarHBondContact O-N 2.99Å; G93-S95 VanDerWaalsContact C-N 3.32Å
96	I	86.6	Confident	84.6	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.056	25%	0.252	C	S	.	.			trans	-85.8	126.3	-179.1	-61.3	167.2	0	0	0	109.2	I68 A71 L72 V91 A94 L98 C106 Y107	I68-I96 HydrophobicContact CD1-CG1 4.18Å; I68-I96 HydrophobicContact CG2-CD1 3.94Å; I68-I96 HydrophobicContact CG2-CG1 4.06Å; A71-I96 HydrophobicContact CB-CD1 4.18Å; L72-I96 HydrophobicContact CD2-CD1 3.91Å; L72-I96 HydrophobicContact CD2-CG2 4.46Å; L72-I96 HydrophobicContact CG-CD1 3.96Å; V91-I96 HydrophobicContact CG1-CB 3.89Å; V91-I96 HydrophobicContact CG1-CG2 4.16Å; V91-I96 WeakPolarHBondContact CG1-O 2.93Å; V91-I96 PolarHBondContact O-N 3.42Å; A94-I96 HydrophobicContact CB-CD1 3.57Å; A94-I96 HydrophobicContact CB-CG1 3.74Å; A94-I96 PolarHBondContact O-N 2.85Å; I96-L98 HydrophobicContact CG2-CD2 4.19Å; I96-C106 HydrophobicContact CG2-CB 3.65Å; I96-Y107 CarbonylContact C-O 3.58Å; I96-Y107 WeakPolarHBondContact CA-O 3.33Å
97	T	84.8	Confident	84.5	Confident	51 Å²	51	41.2 Å²	41.2	31%	0.313	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-97.3	128.9	176.3	-64.4	0	0	0	0	111	N27 Y107	N27-T97 HydrophobicContact CB-CG2 4.07Å; T97-Y107 PolarHBondContact N-O 3.49Å; T97-Y107 PolarHBondContact O-N 3.46Å
98	L	83.6	Confident	84.6	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	25%	0.248	C	C	.	.			trans	-110.1	105.5	175.9	-55	176.8	0	0	0	109.8	E28 L30 V91 I96 H100 L103 C106	E28-L98 PolarHBondContact N-O 3.33Å; L30-L98 HydrophobicContact CB-CD1 4.1Å; L30-L98 HydrophobicContact CD1-CD1 3.7Å; V91-L98 HydrophobicContact CG1-CD1 4.01Å; V91-L98 HydrophobicContact CG1-CG 4.11Å; I96-L98 HydrophobicContact CG2-CD2 4.19Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-H100 PolarHBondContact O-N 2.77Å; L98-L103 HydrophobicContact CD1-CD2 4.33Å; L98-L103 HydrophobicContact CD2-CD2 4.16Å; L98-C106 HydrophobicContact CD2-CB 4.1Å; L98-C106 WeakPolarHBondContact CD2-SG 3.22Å
99	P	78.5	Confident	84.5	Confident	50 Å²	50	45.2 Å²	45.2	33%	0.325	26%	0.264	S	S	.	.	S	Bend	trans	-72	-25.7	178.7	27.1	-33.6	0	0	0	113.2	Y107	P99-Y107 HydrophobicContact CG-CD2 3.89Å; P99-Y107 HydrophobicContact CG-CE2 3.56Å
100	H	72.9	Confident	84.2	Confident	104 Å²	104	47.2 Å²	47.2	48%	0.481	27%	0.266	S	S	.	.	S	Bend	trans	-108.4	-2.3	-178.8	-62.2	-57.7	0	0	0	113.3	K31 L98 T102 E105	K31-H100 PolarHBondContact NZ-O 2.77Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-H100 PolarHBondContact O-N 2.77Å; H100-T102 PolarHBondContact O-N 3.48Å; H100-E105 IonicContact CD2-OE2 2.64Å
101	G	75.2	Confident	83.8	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	68.3	17.3	-172.2	0	0	0	0	0	113.4	K31	K31-G101 WeakPolarHBondContact CB-O 3.17Å; K31-G101 PolarHBondContact N-O 2.76Å
102	T	81.3	Confident	83.7	Confident	39 Å²	39	50.8 Å²	50.8	24%	0.239	30%	0.299	C	S	.	.	S	Bend	trans	-120.5	141.4	-179.6	54.6	0	0	0	0	110.7	H100 T104	H100-T102 PolarHBondContact O-N 3.48Å; T102-T104 PolarHBondContact O-N 3.24Å; T102-T104 VanDerWaalsContact O-N 3.08Å; T102-T104 PolarHBondContact OG1-OG1 3.47Å
103	L	81.3	Confident	83.7	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.026	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.2	176.3	-66.3	-176.9	0	0	0	113.8	L30 L72 A75 L79 V91 L98 E105 C106 L116 L121	L30-L103 HydrophobicContact CD1-CD1 4.45Å; L30-L103 HydrophobicContact CD1-CD2 3.8Å; L30-L103 HydrophobicContact CD1-CG 3.66Å; L72-L103 HydrophobicContact CD2-CD2 4.27Å; A75-L103 HydrophobicContact CB-CD1 3.99Å; L79-L103 HydrophobicContact CD1-CD1 3.4Å; L79-L103 VanDerWaalsContact CD1-CD1 3.4Å; L79-L103 HydrophobicContact CD1-CG 4.1Å; L79-L103 HydrophobicContact CG-CD1 4.4Å; V91-L103 HydrophobicContact CG2-CD2 3.85Å; L98-L103 HydrophobicContact CD1-CD2 4.33Å; L98-L103 HydrophobicContact CD2-CD2 4.16Å; L103-E105 VanDerWaalsContact C-N 3.26Å; L103-E105 PolarHBondContact O-N 3.14Å; L103-C106 PolarHBondContact O-SG 3.39Å; L103-C106 VanDerWaalsContact O-SG 3.34Å; L103-L116 WeakPolarHBondContact O-CB 3.47Å; L103-L116 WeakPolarHBondContact O-CD1 3.39Å; L103-L121 HydrophobicContact CB-CD1 3.96Å; L103-L121 HydrophobicContact CB-CD2 3.66Å; L103-L121 HydrophobicContact CB-CG 4.48Å; L103-L121 HydrophobicContact CD1-CD2 3.99Å; L103-L121 HydrophobicContact CG-CD2 4.47Å
104	T	82.4	Confident	83.6	Confident	29 Å²	29	47.8 Å²	47.8	18%	0.178	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.7	178	50.5	0	0	0	0	112.3	T102 Q115 L116 V118 L121	T102-T104 PolarHBondContact O-N 3.24Å; T102-T104 VanDerWaalsContact O-N 3.08Å; T102-T104 PolarHBondContact OG1-OG1 3.47Å; T104-Q115 WeakPolarHBondContact O-CA 3.45Å; T104-L116 PolarHBondContact O-N 2.75Å; T104-V118 HydrophobicContact CG2-CG1 4.3Å; T104-L121 HydrophobicContact CG2-CD1 3.66Å
105	E	84.1	Confident	83.4	Confident	60 Å²	60	51.7 Å²	51.7	28%	0.28	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	108.7	-178.8	-66.4	-173.9	100.5	0	0	109.3	H100 L103 R113 Q115	H100-E105 IonicContact CD2-OE2 2.64Å; L103-E105 VanDerWaalsContact C-N 3.26Å; L103-E105 PolarHBondContact O-N 3.14Å; E105-R113 IonicContact OE1-NH1 3.9Å; E105-Q115 HydrophobicContact CG-CG 4.45Å
106	C	85.7	Confident	83.3	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.4	-174.5	-57.8	0	0	0	0	110.1	L72 I96 L98 L103 Y114	L72-C106 HydrophobicContact CD1-CB 4.45Å; L72-C106 HydrophobicContact CD2-CB 3.92Å; L72-C106 WeakPolarHBondContact CD2-SG 3.3Å; I96-C106 HydrophobicContact CG2-CB 3.65Å; L98-C106 HydrophobicContact CD2-CB 4.1Å; L98-C106 WeakPolarHBondContact CD2-SG 3.22Å; L103-C106 PolarHBondContact O-SG 3.39Å; L103-C106 VanDerWaalsContact O-SG 3.34Å; C106-Y114 PolarHBondContact N-O 3.18Å; C106-Y114 PolarHBondContact O-N 3.4Å
107	Y	86.9	Confident	83	Confident	80 Å²	80	50.1 Å²	50.1	31%	0.314	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.5	177.7	-65.7	-99.7	0	0	0	109.6	I96 T97 P99 N112 R113	I96-Y107 CarbonylContact C-O 3.58Å; I96-Y107 WeakPolarHBondContact CA-O 3.33Å; T97-Y107 PolarHBondContact N-O 3.49Å; T97-Y107 PolarHBondContact O-N 3.46Å; P99-Y107 HydrophobicContact CG-CD2 3.89Å; P99-Y107 HydrophobicContact CG-CE2 3.56Å; Y107-N112 WeakPolarHBondContact CA-O 3.46Å; Y107-R113 HydrophobicContact CD1-CB 4.18Å; Y107-R113 HydrophobicContact CD1-CG 4.28Å; Y107-R113 HydrophobicContact CE1-CB 3.94Å; Y107-R113 HydrophobicContact CE1-CG 3.74Å; Y107-R113 HydrophobicContact CE2-CG 4.45Å
108	D	89.1	Confident	82.9	Confident	8 Å²	8	50 Å²	50	4%	0.043	26%	0.26	C	S	.	.			trans	-89.7	167.3	173.8	171.1	-129.8	0	0	0	111.1	I68 L110 G111 N112 Y114	I68-D108 WeakPolarHBondContact CD1-OD2 3.34Å; I68-D108 HydrophobicContact CG1-CB 4.44Å; D108-L110 PolarHBondContact O-N 2.96Å; D108-L110 VanDerWaalsContact O-N 3.14Å; D108-L110 WeakPolarHBondContact OD1-CD1 3.34Å; D108-G111 WeakPolarHBondContact O-CA 3.38Å; D108-G111 PolarHBondContact O-N 3.42Å; D108-N112 HydrophobicContact CB-CB 4.17Å; D108-N112 PolarHBondContact N-O 3.03Å; D108-N112 PolarHBondContact OD1-ND2 2.78Å; D108-Y114 HydrophobicContact CB-CD2 4.43Å; D108-Y114 HydrophobicContact CB-CE2 3.58Å
109	E	84.6	Confident	82.5	Confident	135 Å²	135	52.3 Å²	52.3	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.4	179.8	66.7	176	157.1	0	0	112.8	G111	E109-G111 VanDerWaalsContact C-N 3.27Å; E109-G111 PolarHBondContact O-N 2.62Å
110	L	83	Confident	82.4	Confident	101 Å²	101	50 Å²	50	53%	0.529	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.3	176	-65.8	97.8	0	0	0	113.3	D108 N112	D108-L110 PolarHBondContact O-N 2.96Å; D108-L110 VanDerWaalsContact O-N 3.14Å; D108-L110 WeakPolarHBondContact OD1-CD1 3.34Å; L110-N112 VanDerWaalsContact C-N 3.31Å
111	G	81.9	Confident	82.5	Confident	53 Å²	53	45.9 Å²	45.9	55%	0.546	24%	0.235	S	C	.	.			trans	79.5	10.3	-176.6	0	0	0	0	0	114.3	D108 E109 R113	D108-G111 WeakPolarHBondContact O-CA 3.38Å; D108-G111 PolarHBondContact O-N 3.42Å; E109-G111 VanDerWaalsContact C-N 3.27Å; E109-G111 PolarHBondContact O-N 2.62Å; G111-R113 PolarHBondContact O-N 3.09Å
112	N	86.6	Confident	82.4	Confident	64 Å²	64	46.3 Å²	46.3	34%	0.342	24%	0.239	S	C	.	.			trans	-66.2	132.5	171.9	-60.5	-54.8	0	0	0	109.4	Y107 D108 L110 Y114	Y107-N112 WeakPolarHBondContact CA-O 3.46Å; D108-N112 HydrophobicContact CB-CB 4.17Å; D108-N112 PolarHBondContact N-O 3.03Å; D108-N112 PolarHBondContact OD1-ND2 2.78Å; L110-N112 VanDerWaalsContact C-N 3.31Å; N112-Y114 HydrophobicContact CB-CE2 3.67Å; N112-Y114 WeakPolarHBondContact O-CD2 3.41Å; N112-Y114 WeakPolarHBondContact O-CE2 3.35Å
113	R	86.6	Confident	81.9	Confident	124 Å²	124	47.6 Å²	47.6	47%	0.468	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.6	-178.4	-173.2	-178.5	70.6	96.5	10.3	110.3	E105 Y107 G111	E105-R113 IonicContact OE1-NH1 3.9Å; Y107-R113 HydrophobicContact CD1-CB 4.18Å; Y107-R113 HydrophobicContact CD1-CG 4.28Å; Y107-R113 HydrophobicContact CE1-CB 3.94Å; Y107-R113 HydrophobicContact CE1-CG 3.74Å; Y107-R113 HydrophobicContact CE2-CG 4.45Å; G111-R113 PolarHBondContact O-N 3.09Å
114	Y	85.6	Confident	81.5	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.6	177.9	-58.6	-99	0	0	0	108.7	G64 R65 I68 W69 L72 C106 D108 N112	G64-Y114 WeakPolarHBondContact CA-OH 3.49Å; R65-Y114 PolarHBondContact N-OH 3.3Å; I68-Y114 HydrophobicContact CB-CE1 3.94Å; I68-Y114 HydrophobicContact CB-CE2 4.23Å; I68-Y114 HydrophobicContact CG2-CD1 4.06Å; I68-Y114 HydrophobicContact CG2-CD2 3.86Å; I68-Y114 HydrophobicContact CG2-CE1 3.8Å; I68-Y114 HydrophobicContact CG2-CE2 3.62Å; I68-Y114 HydrophobicContact CG2-CG 4.09Å; W69-Y114 AromaticContact CD1-CE1 3.83Å; W69-Y114 AromaticContact CD2-CD1 4Å; W69-Y114 HydrophobicContact CD2-CD1 4Å; W69-Y114 HydrophobicContact CD2-CE1 4.47Å; W69-Y114 AromaticContact CE2-CD1 3.56Å; W69-Y114 HydrophobicContact CG-CD1 4.37Å; W69-Y114 HydrophobicContact CG-CE1 4.39Å; W69-Y114 HydrophobicContact CH2-CD1 4.49Å; W69-Y114 AromaticContact CZ2-CD1 3.85Å; W69-Y114 HydrophobicContact CZ2-CD1 3.85Å; W69-Y114 AromaticContact NE1-CD1 3.62Å; W69-Y114 AromaticContact NE1-CE1 3.59Å; L72-Y114 HydrophobicContact CD1-CD1 4.14Å; L72-Y114 HydrophobicContact CD1-CG 3.97Å; C106-Y114 PolarHBondContact N-O 3.18Å; C106-Y114 PolarHBondContact O-N 3.4Å; D108-Y114 HydrophobicContact CB-CD2 4.43Å; D108-Y114 HydrophobicContact CB-CE2 3.58Å; N112-Y114 HydrophobicContact CB-CE2 3.67Å; N112-Y114 WeakPolarHBondContact O-CD2 3.41Å; N112-Y114 WeakPolarHBondContact O-CE2 3.35Å
115	Q	83.6	Confident	81	Confident	105 Å²	105	51 Å²	51	49%	0.491	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.2	-178.4	-168.4	175.2	-26.2	0	0	109.5	T104 E105	T104-Q115 WeakPolarHBondContact O-CA 3.45Å; E105-Q115 HydrophobicContact CG-CG 4.45Å
116	L	84.7	Confident	80.1	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.275	C	S	.	.			trans	-102.6	124	-178.6	-77.4	78.4	0	0	0	109.5	W56 W69 L72 L103 T104 L121	W56-L116 HydrophobicContact CH2-CD2 3.76Å; W56-L116 HydrophobicContact CZ2-CD2 4.09Å; W69-L116 HydrophobicContact CZ3-CD1 4.15Å; W69-L116 HydrophobicContact CZ3-CG 4.27Å; L72-L116 HydrophobicContact CB-CD2 4.27Å; L72-L116 HydrophobicContact CD1-CD1 3.84Å; L72-L116 HydrophobicContact CD2-CD1 4.28Å; L72-L116 HydrophobicContact CG-CD1 4.44Å; L103-L116 WeakPolarHBondContact O-CB 3.47Å; L103-L116 WeakPolarHBondContact O-CD1 3.39Å; T104-L116 PolarHBondContact O-N 2.75Å; L116-L121 HydrophobicContact CB-CD1 4.27Å; L116-L121 HydrophobicContact CB-CG 4.42Å; L116-L121 HydrophobicContact CD2-CD2 3.96Å
117	P	81.6	Confident	79.2	Confident	35 Å²	35	53.9 Å²	53.9	23%	0.227	29%	0.286	C	S	.	.			trans	-61.4	143.1	171.2	-22.4	33.7	0	0	0	111.6	F55 Y119 C120	F55-P117 HydrophobicContact CD2-CG 4.24Å; F55-P117 HydrophobicContact CE1-CG 4.44Å; F55-P117 HydrophobicContact CE2-CG 3.73Å; F55-P117 HydrophobicContact CZ-CG 3.85Å; P117-Y119 HydrophobicContact CB-CD1 3.36Å; P117-Y119 HydrophobicContact CB-CD2 4.35Å; P117-Y119 HydrophobicContact CB-CE1 3.06Å; P117-Y119 HydrophobicContact CB-CE2 4.1Å; P117-Y119 HydrophobicContact CB-CG 4Å; P117-Y119 VanDerWaalsContact CB-CZ 3.46Å; P117-Y119 HydrophobicContact CG-CD1 4.38Å; P117-Y119 HydrophobicContact CG-CE1 3.63Å; P117-Y119 HydrophobicContact CG-CE2 4.37Å; P117-Y119 PolarHBondContact O-N 3.38Å; P117-C120 WeakPolarHBondContact O-CB 3.47Å; P117-C120 PolarHBondContact O-N 3.29Å
118	V	80.8	Confident	78.1	Confident	50 Å²	50	53.8 Å²	53.8	30%	0.303	29%	0.29	S	S	.	.	H	α-helix	trans	-56.7	-26.3	178.8	-66.8	0	0	0	0	113.5	P35 W37 T104 C120 L121 A122	P35-V118 HydrophobicContact CB-CB 4.48Å; P35-V118 HydrophobicContact CB-CG1 4.04Å; P35-V118 HydrophobicContact CG-CB 4.47Å; P35-V118 HydrophobicContact CG-CG1 4.34Å; W37-V118 HydrophobicContact CB-CB 4.25Å; W37-V118 HydrophobicContact CB-CG2 3.74Å; W37-V118 HydrophobicContact CD2-CB 4.43Å; W37-V118 HydrophobicContact CD2-CG2 3.62Å; W37-V118 HydrophobicContact CE3-CG2 4.1Å; W37-V118 HydrophobicContact CG-CB 3.89Å; W37-V118 HydrophobicContact CG-CG2 3.42Å; W37-V118 VanDerWaalsContact CG-CG2 3.42Å; W37-V118 PolarHBondContact NE1-O 3Å; T104-V118 HydrophobicContact CG2-CG1 4.3Å; V118-C120 VanDerWaalsContact C-N 3.27Å; V118-C120 PolarHBondContact O-N 2.66Å; V118-L121 PolarHBondContact O-N 2.99Å; V118-A122 PolarHBondContact O-N 2.89Å
119	Y	76.6	Confident	76.2	Confident	51 Å²	51	57.8 Å²	57.8	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-70.9	-18.5	177.2	67	-108.1	0	0	0	114.3	W37 F55 P117	W37-Y119 VanDerWaalsContact CH2-CB 3.48Å; F55-Y119 HydrophobicContact CB-CE2 4.16Å; F55-Y119 VanDerWaalsContact CD2-OH 3.23Å; F55-Y119 WeakPolarHBondContact CD2-OH 3.31Å; F55-Y119 HydrophobicContact CG-CE2 4.34Å; P117-Y119 HydrophobicContact CB-CD1 3.36Å; P117-Y119 HydrophobicContact CB-CD2 4.35Å; P117-Y119 HydrophobicContact CB-CE1 3.06Å; P117-Y119 HydrophobicContact CB-CE2 4.1Å; P117-Y119 HydrophobicContact CB-CG 4Å; P117-Y119 VanDerWaalsContact CB-CZ 3.46Å; P117-Y119 HydrophobicContact CG-CD1 4.38Å; P117-Y119 HydrophobicContact CG-CE1 3.63Å; P117-Y119 HydrophobicContact CG-CE2 4.37Å; P117-Y119 PolarHBondContact O-N 3.38Å
120	C	75.1	Confident	74.1	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	32%	0.317	C	S	.	.	H	α-helix	trans	-83	-24	172.3	-73.4	0	0	0	0	112.2	F55 W56 P117 V118	F55-C120 WeakPolarHBondContact CD1-SG 3.47Å; W56-C120 HydrophobicContact CZ2-CB 4.35Å; P117-C120 WeakPolarHBondContact O-CB 3.47Å; P117-C120 PolarHBondContact O-N 3.29Å; V118-C120 VanDerWaalsContact C-N 3.27Å; V118-C120 PolarHBondContact O-N 2.66Å
121	L	77	Confident	71.8	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-99.2	-30.6	-173	-62.4	176.5	0	0	0	113.4	P35 A76 L103 T104 L116 V118	P35-L121 HydrophobicContact CG-CB 4.12Å; A76-L121 HydrophobicContact CB-CD2 3.99Å; L103-L121 HydrophobicContact CB-CD1 3.96Å; L103-L121 HydrophobicContact CB-CD2 3.66Å; L103-L121 HydrophobicContact CB-CG 4.48Å; L103-L121 HydrophobicContact CD1-CD2 3.99Å; L103-L121 HydrophobicContact CG-CD2 4.47Å; T104-L121 HydrophobicContact CG2-CD1 3.66Å; L116-L121 HydrophobicContact CB-CD1 4.27Å; L116-L121 HydrophobicContact CB-CG 4.42Å; L116-L121 HydrophobicContact CD2-CD2 3.96Å; V118-L121 PolarHBondContact O-N 2.99Å
122	A	72.8	Confident	69.6	Low	9 Å²	9	60.5 Å²	60.5	7%	0.074	34%	0.337	C	S	.	.	S	Bend	trans	-147.5	148.5	179.7	0	0	0	0	0	111.3	R34 P35 W37 V118	R34-A122 HydrophobicContact CB-CB 4.43Å; P35-A122 HydrophobicContact CG-CB 4.19Å; P35-A122 WeakPolarHBondContact O-CB 3.17Å; W37-A122 PolarHBondContact NE1-O 3.05Å; V118-A122 PolarHBondContact O-N 2.89Å
123	P	70.1	Confident	67.1	Low	66 Å²	66	65.7 Å²	65.7	43%	0.429	37%	0.365	S	S	.	.			trans	-66.5	146.1	167.7	27.5	-32.7	0	0	0	110.9	L48 L127	L48-P123 HydrophobicContact CD2-CB 4.25Å; P123-L127 HydrophobicContact CB-CD2 3.78Å
124	P	73.9	Confident	64.9	Low	6 Å²	6	68.3 Å²	68.3	4%	0.039	38%	0.382	C	S	.	.			trans	-67.1	151.5	174.5	27.4	-28.8	0	0	0	110.2	W37 N126 L127	W37-P124 HydrophobicContact CD2-CB 3.99Å; W37-P124 HydrophobicContact CE3-CB 4.12Å; W37-P124 HydrophobicContact CH2-CB 3.71Å; W37-P124 HydrophobicContact CH2-CG 3.84Å; W37-P124 HydrophobicContact CZ2-CB 3.55Å; W37-P124 VanDerWaalsContact CZ2-CD 3.46Å; W37-P124 HydrophobicContact CZ2-CG 3.69Å; W37-P124 HydrophobicContact CZ3-CB 4Å; W37-P124 CarbonylContact O-C 3.52Å; W37-P124 VanDerWaalsContact O-CA 3.3Å; W37-P124 WeakPolarHBondContact O-CA 3.31Å; P124-N126 PolarHBondContact O-N 3.21Å; P124-L127 HydrophobicContact CG-CB 4.31Å; P124-L127 HydrophobicContact CG-CD1 4.23Å; P124-L127 WeakPolarHBondContact O-CB 3.35Å; P124-L127 PolarHBondContact O-N 3.39Å; P124-L127 VanDerWaalsContact O-N 3.09Å
125	V	70.1	Confident	62.6	Low	99 Å²	99	74.4 Å²	74.4	60%	0.6	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.4	175	-60.5	0	0	0	0	113.3	W37 K38	W37-V125 PolarHBondContact O-N 2.96Å; K38-V125 HydrophobicContact CB-CG2 3.89Å
126	N	64.9	Low	60.5	Low	79 Å²	79	79.8 Å²	79.8	42%	0.422	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	31.7	177.6	-63	-47.4	0	0	0	112.1	P124 I128	P124-N126 PolarHBondContact O-N 3.21Å; N126-I128 PolarHBondContact O-N 3.43Å
127	L	67.5	Low	58.3	Low	42 Å²	42	85 Å²	85	22%	0.22	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.5	175.3	-166.8	65.6	0	0	0	109.7	E45 L48 P123 P124 S129	E45-L127 HydrophobicContact CB-CD1 4.25Å; E45-L127 HydrophobicContact CB-CD2 4.17Å; E45-L127 HydrophobicContact CB-CG 4.35Å; E45-L127 HydrophobicContact CG-CD2 4.26Å; L48-L127 HydrophobicContact CB-CD1 4.32Å; L48-L127 HydrophobicContact CD2-CD1 3.9Å; P123-L127 HydrophobicContact CB-CD2 3.78Å; P124-L127 HydrophobicContact CG-CB 4.31Å; P124-L127 HydrophobicContact CG-CD1 4.23Å; P124-L127 WeakPolarHBondContact O-CB 3.35Å; P124-L127 PolarHBondContact O-N 3.39Å; P124-L127 VanDerWaalsContact O-N 3.09Å; L127-S129 PolarHBondContact O-N 3Å
128	I	64.9	Low	56.5	Low	79 Å²	79	90.7 Å²	90.7	41%	0.405	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	103.6	170.5	-57.3	169.7	0	0	0	106.5	P42 M43 T44 E45 N126 E130	P42-I128 HydrophobicContact CB-CD1 4.11Å; M43-I128 PolarHBondContact O-N 3.24Å; T44-I128 HydrophobicContact CG2-CB 4.44Å; E45-I128 PolarHBondContact N-O 3.24Å; N126-I128 PolarHBondContact O-N 3.43Å; I128-E130 PolarHBondContact O-N 3.46Å
129	S	48.4	Very low	54.2	Low	92 Å²	92	93.4 Å²	93.4	64%	0.643	52%	0.518	S	S	*	.			trans	-71.8	118.9	172.5	-64.5	0	0	0	0	109.4	L127 C131	L127-S129 PolarHBondContact O-N 3Å; S129-C131 PolarHBondContact O-N 3.1Å
130	E	40.9	Very low	52.8	Low	128 Å²	128	97.3 Å²	97.3	60%	0.598	55%	0.549	S	S	*	.			trans	-83	100.6	168	-62.5	-148.4	109.9	0	0	107.7	I128 S132	I128-E130 PolarHBondContact O-N 3.46Å; E130-S132 PolarHBondContact O-N 3.02Å
131	C	33.2	Very low	50.9	Low	118 Å²	118	106 Å²	106	80%	0.797	59%	0.59	S	S	*	*			trans	-70.1	122.4	164.7	-164.8	0	0	0	0	107.1	S129 D133	S129-C131 PolarHBondContact O-N 3.1Å; C131-D133 PolarHBondContact O-N 3.1Å; C131-D133 VanDerWaalsContact O-N 3.14Å
132	S	35.9	Very low	49.5	Very low	99 Å²	99	110.4 Å²	110.4	69%	0.692	62%	0.619	S	S	*	*			trans	-54.1	110.1	178.9	-53.8	0	0	0	0	112.4	E130 E134	E130-S132 PolarHBondContact O-N 3.02Å; S132-E134 PolarHBondContact O-N 2.73Å
133	D	34.2	Very low	48.1	Very low	173 Å²	173	116.2 Å²	116.2	93%	0.925	66%	0.656	S	S	*	*			trans	-81	69.8	151.5	-73.3	-70.2	0	0	0	108.1	C131	C131-D133 PolarHBondContact O-N 3.1Å; C131-D133 VanDerWaalsContact O-N 3.14Å
134	E	41.8	Very low	46.7	Very low	179 Å²	179	119.5 Å²	119.5	84%	0.836	68%	0.675	S	S	*	*			trans	-99.7	82	163.2	-70.9	-148.6	109.1	0	0	109.2	S132	S132-E134 PolarHBondContact O-N 2.73Å
135	D	37.5	Very low	45.2	Very low	131 Å²	131	122.5 Å²	122.5	70%	0.701	70%	0.7	S	S	*	*			trans	-151.9	127.6	145.3	-161.6	-124.4	0	0	0	111.3
136	R	38.6	Very low	44.1	Very low	217 Å²	217	123.1 Å²	123.1	82%	0.819	71%	0.709	S	S	*	*			trans	89.4	95	163.9	-70.9	162.9	-168	-156.1	-6.7	120.3
137	S	37.8	Very low	43.4	Very low	114 Å²	114	122 Å²	122	80%	0.797	70%	0.7	S	S	*	*				58	109.2	113.9	-154.3	0	0	0	0	118.3
138	D	44.3	Very low	42.8	Very low	154 Å²	154	128 Å²	128	82%	0.824	73%	0.725	S	S	*	*			trans	41.9	87.7	141.7	-160.5	-109.7	0	0	0	117.9
139	S	33.2	Very low	43	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	73%	0.733	S	S	*	*			trans	-173.8	139.1	143.5	-100.3	0	0	0	0	111.9	E141	S139-E141 PolarHBondContact O-N 3.35Å
140	P	46.7	Very low	44.4	Very low	133 Å²	133	127.1 Å²	127.1	86%	0.864	71%	0.708	S	S	*	*			trans	-84.4	104.9	178.6	33.3	-29.1	0	0	0	110.5
141	E	35.9	Very low	46.3	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.864	71%	0.705	S	S	*	*			trans	-143.5	137.8	164.7	-163.2	162.7	107.6	0	0	109.3	S139	S139-E141 PolarHBondContact O-N 3.35Å
142	P	47.2	Very low	48.7	Very low	107 Å²	107	120.9 Å²	120.9	70%	0.695	67%	0.667	S	S	*	*			trans	-72.1	158.2	-147.3	27.3	-34.1	0	0	0	115.2	V144	P142-V144 PolarHBondContact O-N 2.99Å
143	P	42.9	Very low	51.1	Low	132 Å²	132	119.4 Å²	119.4	86%	0.857	65%	0.648	S	S	*	*			trans	-69	112.6	-167.4	28.6	-35.1	0	0	0	111.5	A145	P143-A145 PolarHBondContact O-N 3.24Å
144	V	40	Very low	53.6	Low	134 Å²	134	111.2 Å²	111.2	81%	0.812	60%	0.604	S	S	*	*			trans	-79.1	105	170.6	-93.4	0	0	0	0	109.4	P142 S146	P142-V144 PolarHBondContact O-N 2.99Å; V144-S146 PolarHBondContact O-N 3.44Å
145	A	43.9	Very low	55.8	Low	69 Å²	69	107.1 Å²	107.1	57%	0.57	58%	0.581	S	S	*	*			trans	-34.8	129.4	172.1	0	0	0	0	0	113.8	P143 K147	P143-A145 PolarHBondContact O-N 3.24Å; A145-K147 VanDerWaalsContact C-N 3.26Å; A145-K147 WeakPolarHBondContact O-CG 3.23Å; A145-K147 PolarHBondContact O-N 3.38Å
146	S	45.6	Very low	58.2	Low	112 Å²	112	101 Å²	101	78%	0.783	55%	0.548	S	S	*	.			trans	-54.5	88	166.4	-25.3	0	0	0	0	109.3	V144	V144-S146 PolarHBondContact O-N 3.44Å
147	K	50.1	Low	60.2	Low	55 Å²	55	93.6 Å²	93.6	24%	0.239	53%	0.53	C	S	.	.			trans	-85.4	128	-173.3	-94.6	168.9	174.4	174.3	0	107.8	A145 E149 S167 A169 D170	A145-K147 VanDerWaalsContact C-N 3.26Å; A145-K147 WeakPolarHBondContact O-CG 3.23Å; A145-K147 PolarHBondContact O-N 3.38Å; K147-E149 HydrophobicContact CB-CG 4.39Å; K147-E149 PolarHBondContact O-N 3.03Å; K147-S167 VanDerWaalsContact CB-OG 3.29Å; K147-S167 WeakPolarHBondContact CB-OG 3.36Å; K147-S167 WeakPolarHBondContact CG-OG 3.45Å; K147-A169 HydrophobicContact CG-CB 4.29Å; K147-D170 IonicContact NZ-OD1 3.7Å; K147-D170 PolarHBondContact NZ-OD1 2.97Å; K147-D170 IonicContact NZ-OD2 2.62Å
148	K	55.7	Low	62.1	Low	170 Å²	170	92.5 Å²	92.5	74%	0.739	52%	0.519	S	S	*	.			trans	-61	92.4	162	-92.1	173.5	177.8	167.8	0	107.1	S167	K148-S167 PolarHBondContact O-OG 3Å
149	E	68.9	Low	63.7	Low	123 Å²	123	87.9 Å²	87.9	58%	0.575	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.8	175.8	-68.9	172.5	85.4	0	0	109.3	K147	K147-E149 HydrophobicContact CB-CG 4.39Å; K147-E149 PolarHBondContact O-N 3.03Å
150	F	77.2	Confident	66	Low	29 Å²	29	88.6 Å²	88.6	13%	0.127	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.4	172.4	61.2	-98.1	0	0	0	109.5	L152 A166 M168 L205 K212	F150-L152 HydrophobicContact CD2-CB 4.49Å; F150-L152 HydrophobicContact CE2-CB 4.19Å; F150-L152 HydrophobicContact CE2-CD1 4.24Å; F150-L152 PolarHBondContact O-N 3.01Å; F150-A166 WeakPolarHBondContact CD1-O 3.46Å; F150-A166 WeakPolarHBondContact CE1-O 3.34Å; F150-A166 HydrophobicContact CE2-CB 4.13Å; F150-A166 VanDerWaalsContact CG-O 3.3Å; F150-A166 WeakPolarHBondContact CG-O 3.44Å; F150-A166 HydrophobicContact CZ-CB 4.27Å; F150-A166 PolarHBondContact N-O 2.81Å; F150-A166 PolarHBondContact O-N 3.47Å; F150-A166 VanDerWaalsContact O-O 3.13Å; F150-M168 HydrophobicContact CE1-CE 4.22Å; F150-M168 HydrophobicContact CE1-CG 3.97Å; F150-M168 HydrophobicContact CE1-SD 4.26Å; F150-M168 HydrophobicContact CZ-CE 4.47Å; F150-L205 HydrophobicContact CE2-CD2 4.3Å; F150-L205 HydrophobicContact CZ-CD2 3.67Å; F150-K212 HydrophobicContact CB-CB 3.66Å; F150-K212 VanDerWaalsContact CD2-CA 3.4Å; F150-K212 HydrophobicContact CD2-CB 3.57Å; F150-K212 HydrophobicContact CE2-CB 4.28Å; F150-K212 HydrophobicContact CG-CB 3.68Å
151	Q	80.8	Confident	67.8	Low	114 Å²	114	85.5 Å²	85.5	53%	0.533	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.5	178.6	-70.4	-171.7	-5.9	0	0	110.2	L164	Q151-L164 CarbonylContact C-O 3.52Å
152	L	85.1	Confident	70.1	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.3	174.1	-177.1	68.6	0	0	0	110.1	F150 R163 L164 A166 L175 L205 I210 I216	F150-L152 HydrophobicContact CD2-CB 4.49Å; F150-L152 HydrophobicContact CE2-CB 4.19Å; F150-L152 HydrophobicContact CE2-CD1 4.24Å; F150-L152 PolarHBondContact O-N 3.01Å; L152-R163 WeakPolarHBondContact O-CA 3.4Å; L152-L164 PolarHBondContact N-O 2.83Å; L152-L164 PolarHBondContact O-N 3.42Å; L152-A166 HydrophobicContact CB-CB 3.85Å; L152-A166 HydrophobicContact CD2-CB 4.04Å; L152-L175 HydrophobicContact CD2-CD1 3.48Å; L152-L175 VanDerWaalsContact CD2-CD1 3.48Å; L152-L205 HydrophobicContact CD2-CD2 4.31Å; L152-I210 HydrophobicContact CD1-CG2 3.66Å; L152-I216 HydrophobicContact CD1-CD1 4.24Å; L152-I216 HydrophobicContact CD1-CG1 4.27Å; L152-I216 HydrophobicContact CD2-CD1 3.61Å; L152-I216 HydrophobicContact CD2-CG1 4.34Å; L152-I216 HydrophobicContact CG-CD1 4.28Å
153	K	86.2	Confident	71.9	Confident	69 Å²	69	79.9 Å²	79.9	30%	0.3	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.1	177.2	-170.3	170.9	178.6	-178.1	0	110.4	D161 V215 I216	K153-D161 WeakPolarHBondContact CE-OD1 3.36Å; K153-D161 VanDerWaalsContact CE-OD2 3.27Å; K153-D161 WeakPolarHBondContact CE-OD2 3.36Å; K153-D161 IonicContact NZ-OD1 3.69Å; K153-D161 IonicContact NZ-OD2 2.95Å; K153-D161 PolarHBondContact NZ-OD2 3.44Å; K153-V215 HydrophobicContact CB-CG2 4.25Å; K153-V215 HydrophobicContact CD-CG2 4.05Å; K153-V215 HydrophobicContact CG-CG2 4.25Å; K153-V215 CarbonylContact O-C 3.57Å; K153-V215 VanDerWaalsContact O-CA 3.3Å; K153-V215 WeakPolarHBondContact O-CA 3.14Å; K153-I216 PolarHBondContact O-N 3.2Å
154	V	86.9	Confident	73.8	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.7	-180	-176.3	0	0	0	0	109.4	D161 V162 L164 L179 W192 I216 V218	V154-D161 CarbonylContact O-C 3.6Å; V154-D161 WeakPolarHBondContact O-CA 3.36Å; V154-V162 PolarHBondContact N-O 3.15Å; V154-V162 PolarHBondContact O-N 3.08Å; V154-L164 HydrophobicContact CG2-CD1 3.68Å; V154-L164 HydrophobicContact CG2-CG 4.06Å; V154-L179 HydrophobicContact CG1-CD2 4.29Å; V154-W192 HydrophobicContact CG2-CH2 4.03Å; V154-W192 HydrophobicContact CG2-CZ3 4.18Å; V154-I216 CarbonylContact C-O 3.6Å; V154-I216 WeakPolarHBondContact CA-O 3.34Å; V154-V218 HydrophobicContact CG1-CB 4.01Å; V154-V218 HydrophobicContact CG1-CG2 3.3Å
155	R	88.1	Confident	75.7	Confident	94 Å²	94	70.8 Å²	70.8	36%	0.355	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.1	175.1	179	84.2	68.1	-174.8	-9.2	109	D161 V215 I216 Q217 V218	R155-D161 WeakPolarHBondContact CD-OD1 3.45Å; R155-D161 VanDerWaalsContact CZ-CG 3.42Å; R155-D161 IonicContact CZ-OD1 2.9Å; R155-D161 IonicContact CZ-OD2 3.2Å; R155-D161 IonicContact NE-OD1 2.99Å; R155-D161 PolarHBondContact NE-OD1 3.39Å; R155-D161 IonicContact NH1-OD1 3.06Å; R155-D161 PolarHBondContact NH1-OD1 2.96Å; R155-D161 IonicContact NH1-OD2 2.73Å; R155-D161 PolarHBondContact NH1-OD2 2.94Å; R155-D161 IonicContact NH2-OD1 3.5Å; R155-D161 IonicContact NH2-OD2 3.47Å; R155-D161 PolarHBondContact NH2-OD2 3.35Å; R155-V215 HydrophobicContact CB-CG1 3.75Å; R155-I216 PolarHBondContact N-O 3.05Å; R155-Q217 CarbonylContact O-C 3.51Å; R155-Q217 WeakPolarHBondContact O-CA 3.47Å; R155-V218 PolarHBondContact O-N 3.2Å
156	L	86.4	Confident	77.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	149.1	172	-64.1	163.6	0	0	0	110.5	T158 G159 K160 V162 L179 E183 I185 V218 V220	L156-T158 VanDerWaalsContact CB-OG1 3.28Å; L156-T158 WeakPolarHBondContact CB-OG1 3.41Å; L156-T158 PolarHBondContact O-N 2.95Å; L156-T158 VanDerWaalsContact O-N 3.14Å; L156-G159 PolarHBondContact O-N 3.22Å; L156-K160 HydrophobicContact CB-CB 4.48Å; L156-K160 WeakPolarHBondContact CB-O 3.35Å; L156-K160 HydrophobicContact CD1-CB 4.01Å; L156-K160 PolarHBondContact N-O 3.41Å; L156-V162 HydrophobicContact CD1-CG2 3.57Å; L156-V162 HydrophobicContact CG-CG2 4.29Å; L156-L179 HydrophobicContact CD2-CD2 4.1Å; L156-E183 HydrophobicContact CD1-CG 4.1Å; L156-E183 WeakPolarHBondContact CD1-OE2 3.37Å; L156-I185 HydrophobicContact CD2-CD1 4.18Å; L156-V218 CarbonylContact C-O 3.57Å; L156-V218 WeakPolarHBondContact CA-O 3.46Å; L156-V218 HydrophobicContact CD2-CB 4.08Å; L156-V218 HydrophobicContact CD2-CG1 4.03Å; L156-V220 HydrophobicContact CD2-CG2 3.77Å
157	S	82.4	Confident	79	Confident	63 Å²	63	62.3 Å²	62.3	44%	0.441	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.9	172.1	54.3	0	0	0	0	113.3	G159 V218 V220	S157-G159 PolarHBondContact O-N 3.19Å; S157-V218 PolarHBondContact N-O 2.91Å; S157-V220 PolarHBondContact OG-N 3.47Å
158	T	77.6	Confident	80	Confident	90 Å²	90	63.6 Å²	63.6	55%	0.552	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-0.1	171.4	57.9	0	0	0	0	113.1	L156 K160	L156-T158 VanDerWaalsContact CB-OG1 3.28Å; L156-T158 WeakPolarHBondContact CB-OG1 3.41Å; L156-T158 PolarHBondContact O-N 2.95Å; L156-T158 VanDerWaalsContact O-N 3.14Å; T158-K160 VanDerWaalsContact C-N 3.27Å; T158-K160 PolarHBondContact O-N 2.85Å
159	G	76.6	Confident	80.7	Confident	57 Å²	57	58.1 Å²	58.1	59%	0.588	30%	0.302	S	S	*	.	S	Bend	trans	83.6	-1.7	-178.8	0	0	0	0	0	114.1	L156 S157	L156-G159 PolarHBondContact O-N 3.22Å; S157-G159 PolarHBondContact O-N 3.19Å
160	K	80.8	Confident	81.2	Confident	124 Å²	124	53.1 Å²	53.1	54%	0.539	28%	0.279	S	S	.	.			trans	-83.9	137.2	177.8	-68.8	-176.5	178.4	179.8	0	111.7	L156 T158	L156-K160 HydrophobicContact CB-CB 4.48Å; L156-K160 WeakPolarHBondContact CB-O 3.35Å; L156-K160 HydrophobicContact CD1-CB 4.01Å; L156-K160 PolarHBondContact N-O 3.41Å; T158-K160 VanDerWaalsContact C-N 3.27Å; T158-K160 PolarHBondContact O-N 2.85Å
161	D	86.2	Confident	81.5	Confident	68 Å²	68	53.4 Å²	53.4	36%	0.364	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.6	171.5	-80.4	-42.3	0	0	0	109.6	K153 V154 R155	K153-D161 WeakPolarHBondContact CE-OD1 3.36Å; K153-D161 VanDerWaalsContact CE-OD2 3.27Å; K153-D161 WeakPolarHBondContact CE-OD2 3.36Å; K153-D161 IonicContact NZ-OD1 3.69Å; K153-D161 IonicContact NZ-OD2 2.95Å; K153-D161 PolarHBondContact NZ-OD2 3.44Å; V154-D161 CarbonylContact O-C 3.6Å; V154-D161 WeakPolarHBondContact O-CA 3.36Å; R155-D161 WeakPolarHBondContact CD-OD1 3.45Å; R155-D161 VanDerWaalsContact CZ-CG 3.42Å; R155-D161 IonicContact CZ-OD1 2.9Å; R155-D161 IonicContact CZ-OD2 3.2Å; R155-D161 IonicContact NE-OD1 2.99Å; R155-D161 PolarHBondContact NE-OD1 3.39Å; R155-D161 IonicContact NH1-OD1 3.06Å; R155-D161 PolarHBondContact NH1-OD1 2.96Å; R155-D161 IonicContact NH1-OD2 2.73Å; R155-D161 PolarHBondContact NH1-OD2 2.94Å; R155-D161 IonicContact NH2-OD1 3.5Å; R155-D161 IonicContact NH2-OD2 3.47Å; R155-D161 PolarHBondContact NH2-OD2 3.35Å
162	V	84.1	Confident	81.7	Confident	8 Å²	8	48 Å²	48	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145	177	-177.1	0	0	0	0	109.1	V154 L156 L164 L179 E183	V154-V162 PolarHBondContact N-O 3.15Å; V154-V162 PolarHBondContact O-N 3.08Å; L156-V162 HydrophobicContact CD1-CG2 3.57Å; L156-V162 HydrophobicContact CG-CG2 4.29Å; V162-L164 HydrophobicContact CG1-CD2 3.91Å; V162-L164 HydrophobicContact CG1-CG 4.4Å; V162-L179 HydrophobicContact CB-CD1 4.29Å; V162-L179 HydrophobicContact CG1-CD1 3.98Å; V162-L179 HydrophobicContact CG2-CD1 4.48Å; V162-E183 HydrophobicContact CG2-CG 4.01Å
163	R	85.1	Confident	81.6	Confident	166 Å²	166	48.5 Å²	48.5	63%	0.626	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.1	173.2	-62	-179.5	-172.6	173.6	2.5	108.4	L152	L152-R163 WeakPolarHBondContact O-CA 3.4Å
164	L	82.5	Confident	81.4	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.4	178.6	-58.1	177.9	0	0	0	110	Q151 L152 V154 V162 A166 Q178 L179 Q182 W192	Q151-L164 CarbonylContact C-O 3.52Å; L152-L164 PolarHBondContact N-O 2.83Å; L152-L164 PolarHBondContact O-N 3.42Å; V154-L164 HydrophobicContact CG2-CD1 3.68Å; V154-L164 HydrophobicContact CG2-CG 4.06Å; V162-L164 HydrophobicContact CG1-CD2 3.91Å; V162-L164 HydrophobicContact CG1-CG 4.4Å; L164-A166 PolarHBondContact O-N 3.38Å; L164-Q178 HydrophobicContact CD2-CG 4.42Å; L164-L179 HydrophobicContact CD1-CB 3.92Å; L164-L179 HydrophobicContact CD1-CD1 4.23Å; L164-L179 HydrophobicContact CD2-CB 4.45Å; L164-L179 HydrophobicContact CD2-CD1 4.14Å; L164-Q182 VanDerWaalsContact CD2-OE1 3.26Å; L164-W192 HydrophobicContact CD1-CH2 3.57Å; L164-W192 HydrophobicContact CD1-CZ2 4.21Å
165	N	80.8	Confident	81.3	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	110.9	172.8	-73.9	28.9	0	0	0	109	Q178	N165-Q178 PolarHBondContact O-NE2 2.83Å; N165-Q178 VanDerWaalsContact O-NE2 3.13Å; N165-Q178 PolarHBondContact O-OE1 3.48Å
166	A	78	Confident	81.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.2	-178.5	0	0	0	0	0	111	F150 L152 L164 L175 L205	F150-A166 WeakPolarHBondContact CD1-O 3.46Å; F150-A166 WeakPolarHBondContact CE1-O 3.34Å; F150-A166 HydrophobicContact CE2-CB 4.13Å; F150-A166 VanDerWaalsContact CG-O 3.3Å; F150-A166 WeakPolarHBondContact CG-O 3.44Å; F150-A166 HydrophobicContact CZ-CB 4.27Å; F150-A166 PolarHBondContact N-O 2.81Å; F150-A166 PolarHBondContact O-N 3.47Å; F150-A166 VanDerWaalsContact O-O 3.13Å; L152-A166 HydrophobicContact CB-CB 3.85Å; L152-A166 HydrophobicContact CD2-CB 4.04Å; L164-A166 PolarHBondContact O-N 3.38Å; A166-L175 HydrophobicContact CB-CD1 3.99Å; A166-L175 HydrophobicContact CB-CD2 3.46Å; A166-L175 VanDerWaalsContact CB-CD2 3.46Å; A166-L175 HydrophobicContact CB-CG 4.34Å; A166-L205 HydrophobicContact CB-CD2 3.74Å
167	S	78.9	Confident	80.8	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.028	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	157.4	168.8	-160.9	0	0	0	0	112.4	K147 K148 A169 D170	K147-S167 VanDerWaalsContact CB-OG 3.29Å; K147-S167 WeakPolarHBondContact CB-OG 3.36Å; K147-S167 WeakPolarHBondContact CG-OG 3.45Å; K148-S167 PolarHBondContact O-OG 3Å; S167-A169 PolarHBondContact O-N 2.92Å; S167-A169 VanDerWaalsContact O-N 3.17Å; S167-D170 WeakPolarHBondContact CA-OD2 3.23Å; S167-D170 WeakPolarHBondContact CB-OD2 3.46Å; S167-D170 PolarHBondContact N-OD2 2.91Å; S167-D170 WeakPolarHBondContact O-CB 3.16Å; S167-D170 PolarHBondContact O-N 3.32Å
168	M	71.9	Confident	80.8	Confident	81 Å²	81	53.4 Å²	53.4	40%	0.399	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.5	173.8	-76.9	-67.3	179	0	0	112.4	F150 Q206	F150-M168 HydrophobicContact CE1-CE 4.22Å; F150-M168 HydrophobicContact CE1-CG 3.97Å; F150-M168 HydrophobicContact CE1-SD 4.26Å; F150-M168 HydrophobicContact CZ-CE 4.47Å; M168-Q206 WeakPolarHBondContact O-CB 3.46Å; M168-Q206 PolarHBondContact O-N 3.25Å
169	A	71.4	Confident	81.1	Confident	56 Å²	56	49.1 Å²	49.1	46%	0.463	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.3	177.6	0	0	0	0	0	113.6	K147 S167	K147-A169 HydrophobicContact CG-CB 4.29Å; S167-A169 PolarHBondContact O-N 2.92Å; S167-A169 VanDerWaalsContact O-N 3.17Å
170	D	79.2	Confident	81.4	Confident	18 Å²	18	49.2 Å²	49.2	10%	0.096	24%	0.24	C	C	.	.			trans	-75.2	152.3	176.6	-74.1	-63.5	0	0	0	112	K147 S167 Q174 L205	K147-D170 IonicContact NZ-OD1 3.7Å; K147-D170 PolarHBondContact NZ-OD1 2.97Å; K147-D170 IonicContact NZ-OD2 2.62Å; S167-D170 WeakPolarHBondContact CA-OD2 3.23Å; S167-D170 WeakPolarHBondContact CB-OD2 3.46Å; S167-D170 PolarHBondContact N-OD2 2.91Å; S167-D170 WeakPolarHBondContact O-CB 3.16Å; S167-D170 PolarHBondContact O-N 3.32Å; D170-Q174 VanDerWaalsContact OD1-CD 3.28Å; D170-Q174 PolarHBondContact OD1-OE1 3.06Å; D170-L205 HydrophobicContact CB-CD1 4.41Å; D170-L205 WeakPolarHBondContact O-CD1 3.21Å; D170-L205 PolarHBondContact O-N 3.48Å
171	T	83.6	Confident	81.2	Confident	35 Å²	35	47.6 Å²	47.6	22%	0.215	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-92.3	157.4	168.5	59.1	0	0	0	0	110.7	G173 Q174 L175 R204	T171-G173 PolarHBondContact O-N 3.39Å; T171-Q174 PolarHBondContact O-N 3.23Å; T171-Q174 PolarHBondContact OG1-N 2.91Å; T171-L175 PolarHBondContact O-N 2.98Å; T171-R204 HydrophobicContact CG2-CG 4.08Å
172	I	84.3	Confident	80.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-28.2	172.7	-62.3	-63.6	0	0	0	111.2	Q174 L175 K176 W192 L199 T203 L205 I216	I172-Q174 PolarHBondContact O-N 3.49Å; I172-L175 HydrophobicContact CD1-CD1 4.25Å; I172-L175 PolarHBondContact O-N 2.9Å; I172-K176 HydrophobicContact CG2-CD 4.46Å; I172-K176 HydrophobicContact CG2-CG 4.4Å; I172-K176 WeakPolarHBondContact O-CG 3.36Å; I172-K176 PolarHBondContact O-N 2.99Å; I172-W192 HydrophobicContact CD1-CE3 4.49Å; I172-W192 HydrophobicContact CG2-CB 4.4Å; I172-W192 HydrophobicContact CG2-CD2 4.26Å; I172-W192 HydrophobicContact CG2-CE3 4.17Å; I172-W192 HydrophobicContact CG2-CG 4.34Å; I172-L199 HydrophobicContact CD1-CB 4.48Å; I172-L199 HydrophobicContact CD1-CD1 3.75Å; I172-L199 HydrophobicContact CG1-CB 4.15Å; I172-L199 HydrophobicContact CG1-CD1 4.28Å; I172-L199 HydrophobicContact CG2-CB 4.13Å; I172-T203 WeakPolarHBondContact CG1-O 3.42Å; I172-T203 PolarHBondContact N-O 3.38Å; I172-T203 VanDerWaalsContact N-O 3.08Å; I172-L205 HydrophobicContact CD1-CD1 3.82Å; I172-L205 HydrophobicContact CD1-CG 4.35Å; I172-L205 HydrophobicContact CG1-CD1 4.48Å; I172-I216 HydrophobicContact CD1-CD1 4.49Å
173	G	82.6	Confident	80.3	Confident	10 Å²	10	51.8 Å²	51.8	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-43.3	172	0	0	0	0	0	114.7	T171 L175 K176 K177 D201	T171-G173 PolarHBondContact O-N 3.39Å; G173-L175 VanDerWaalsContact C-N 3.35Å; G173-K176 PolarHBondContact O-N 2.87Å; G173-K177 PolarHBondContact O-N 2.92Å; G173-D201 WeakPolarHBondContact CA-OD2 3.11Å
174	Q	83	Confident	79.8	Confident	84 Å²	84	51.1 Å²	51.1	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-65.1	-41.2	177.2	-66.5	-179.2	-76.4	0	0	110.9	D170 T171 I172 K176 K177 Q178	D170-Q174 VanDerWaalsContact OD1-CD 3.28Å; D170-Q174 PolarHBondContact OD1-OE1 3.06Å; T171-Q174 PolarHBondContact O-N 3.23Å; T171-Q174 PolarHBondContact OG1-N 2.91Å; I172-Q174 PolarHBondContact O-N 3.49Å; Q174-K176 PolarHBondContact O-N 3.47Å; Q174-K177 PolarHBondContact O-N 3.4Å; Q174-Q178 PolarHBondContact O-N 3.34Å
175	L	84	Confident	79.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-35.4	177.3	-60.6	-175.1	0	0	0	113.7	L152 A166 T171 I172 G173 K177 Q178 L179 W192 L205	L152-L175 HydrophobicContact CD2-CD1 3.48Å; L152-L175 VanDerWaalsContact CD2-CD1 3.48Å; A166-L175 HydrophobicContact CB-CD1 3.99Å; A166-L175 HydrophobicContact CB-CD2 3.46Å; A166-L175 VanDerWaalsContact CB-CD2 3.46Å; A166-L175 HydrophobicContact CB-CG 4.34Å; T171-L175 PolarHBondContact O-N 2.98Å; I172-L175 HydrophobicContact CD1-CD1 4.25Å; I172-L175 PolarHBondContact O-N 2.9Å; G173-L175 VanDerWaalsContact C-N 3.35Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-Q178 PolarHBondContact O-N 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.14Å; L175-L179 PolarHBondContact O-N 3.11Å; L175-W192 HydrophobicContact CB-CH2 3.51Å; L175-W192 HydrophobicContact CB-CZ2 4.25Å; L175-W192 HydrophobicContact CB-CZ3 3.79Å; L175-W192 HydrophobicContact CD1-CH2 4.36Å; L175-W192 HydrophobicContact CD1-CZ3 3.92Å; L175-L205 HydrophobicContact CD1-CD1 3.69Å; L175-L205 HydrophobicContact CD1-CD2 3.99Å; L175-L205 HydrophobicContact CD1-CG 4.32Å; L175-L205 HydrophobicContact CG-CD1 4.34Å
176	K	84	Confident	79.3	Confident	32 Å²	32	51.7 Å²	51.7	14%	0.139	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-45.4	173.1	-78	177.9	175.2	-146	0	111.5	I172 G173 Q174 Q178 L179 Q180 V187 Q190 W192	I172-K176 HydrophobicContact CG2-CD 4.46Å; I172-K176 HydrophobicContact CG2-CG 4.4Å; I172-K176 WeakPolarHBondContact O-CG 3.36Å; I172-K176 PolarHBondContact O-N 2.99Å; G173-K176 PolarHBondContact O-N 2.87Å; Q174-K176 PolarHBondContact O-N 3.47Å; K176-Q178 VanDerWaalsContact C-N 3.33Å; K176-L179 PolarHBondContact O-N 2.89Å; K176-Q180 WeakPolarHBondContact O-CB 3.26Å; K176-Q180 PolarHBondContact O-N 2.95Å; K176-V187 HydrophobicContact CB-CB 4.26Å; K176-V187 HydrophobicContact CB-CG1 3.92Å; K176-Q190 PolarHBondContact NZ-O 2.86Å; K176-Q190 PolarHBondContact O-NE2 3.28Å; K176-Q190 PolarHBondContact O-OE1 2.93Å; K176-W192 HydrophobicContact CG-CD2 4.36Å; K176-W192 HydrophobicContact CG-CG 4.41Å; K176-W192 HydrophobicContact CG-CZ2 4.28Å
177	K	80.9	Confident	79.2	Confident	151 Å²	151	53.9 Å²	53.9	66%	0.657	29%	0.292	S	S	*	.	H	α-helix	trans	-65	-38.1	177.7	-165.7	177.4	-176.8	-177.4	0	111.6	G173 Q174 L175 Q180 A181	G173-K177 PolarHBondContact O-N 2.92Å; Q174-K177 PolarHBondContact O-N 3.4Å; L175-K177 VanDerWaalsContact C-N 3.33Å; K177-Q180 WeakPolarHBondContact O-CB 3.45Å; K177-Q180 PolarHBondContact O-N 3.42Å; K177-A181 PolarHBondContact O-N 2.73Å
178	Q	81.6	Confident	79.1	Confident	63 Å²	63	61.1 Å²	61.1	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-43.1	175.6	-165.6	176.8	13.6	0	0	112.1	L164 N165 Q174 L175 K176 Q180 A181 Q182	L164-Q178 HydrophobicContact CD2-CG 4.42Å; N165-Q178 PolarHBondContact O-NE2 2.83Å; N165-Q178 VanDerWaalsContact O-NE2 3.13Å; N165-Q178 PolarHBondContact O-OE1 3.48Å; Q174-Q178 PolarHBondContact O-N 3.34Å; L175-Q178 PolarHBondContact O-N 3.26Å; K176-Q178 VanDerWaalsContact C-N 3.33Å; Q178-Q180 VanDerWaalsContact C-N 3.31Å; Q178-Q180 PolarHBondContact O-N 2.86Å; Q178-A181 PolarHBondContact O-N 3.41Å; Q178-Q182 PolarHBondContact O-N 3.08Å; Q178-Q182 VanDerWaalsContact O-N 3.14Å
179	L	83.9	Confident	79.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-36.1	174	-173.6	62.7	0	0	0	111.8	V154 L156 V162 L164 L175 K176 Q182 E183 W192 V218	V154-L179 HydrophobicContact CG1-CD2 4.29Å; L156-L179 HydrophobicContact CD2-CD2 4.1Å; V162-L179 HydrophobicContact CB-CD1 4.29Å; V162-L179 HydrophobicContact CG1-CD1 3.98Å; V162-L179 HydrophobicContact CG2-CD1 4.48Å; L164-L179 HydrophobicContact CD1-CB 3.92Å; L164-L179 HydrophobicContact CD1-CD1 4.23Å; L164-L179 HydrophobicContact CD2-CB 4.45Å; L164-L179 HydrophobicContact CD2-CD1 4.14Å; L175-L179 WeakPolarHBondContact O-CB 3.14Å; L175-L179 PolarHBondContact O-N 3.11Å; K176-L179 PolarHBondContact O-N 2.89Å; L179-Q182 PolarHBondContact O-N 2.87Å; L179-E183 HydrophobicContact CD1-CB 4.48Å; L179-E183 HydrophobicContact CD1-CG 3.88Å; L179-E183 PolarHBondContact O-N 2.99Å; L179-W192 HydrophobicContact CB-CZ2 3.95Å; L179-W192 HydrophobicContact CD2-CH2 4.43Å; L179-W192 HydrophobicContact CD2-CZ2 3.53Å; L179-W192 HydrophobicContact CG-CZ2 4.39Å; L179-V218 HydrophobicContact CD2-CB 4.5Å; L179-V218 HydrophobicContact CD2-CG1 4.08Å; L179-V218 HydrophobicContact CD2-CG2 4.24Å
180	Q	82.1	Confident	80	Confident	58 Å²	58	56.7 Å²	56.7	27%	0.271	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-45.2	172.9	177	178.8	38.5	0	0	111.1	K176 K177 Q178 Q182 D184 I185 D186 V187	K176-Q180 WeakPolarHBondContact O-CB 3.26Å; K176-Q180 PolarHBondContact O-N 2.95Å; K177-Q180 WeakPolarHBondContact O-CB 3.45Å; K177-Q180 PolarHBondContact O-N 3.42Å; Q178-Q180 VanDerWaalsContact C-N 3.31Å; Q178-Q180 PolarHBondContact O-N 2.86Å; Q180-Q182 PolarHBondContact O-N 3.3Å; Q180-D184 WeakPolarHBondContact O-CA 3.4Å; Q180-D184 PolarHBondContact O-N 3.46Å; Q180-I185 WeakPolarHBondContact CA-O 3.47Å; Q180-I185 WeakPolarHBondContact CB-O 3.29Å; Q180-I185 VanDerWaalsContact CG-O 3.3Å; Q180-I185 WeakPolarHBondContact CG-O 3.46Å; Q180-D186 PolarHBondContact NE2-OD2 3.31Å; Q180-V187 HydrophobicContact CB-CG1 4.17Å
181	A	77.8	Confident	80.3	Confident	90 Å²	90	62 Å²	62	74%	0.744	32%	0.317	S	S	*	.	H	α-helix	trans	-65.2	-28	177.9	0	0	0	0	0	113.1	K177 Q178	K177-A181 PolarHBondContact O-N 2.73Å; Q178-A181 PolarHBondContact O-N 3.41Å
182	Q	76.9	Confident	80.4	Confident	101 Å²	101	60.3 Å²	60.3	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-90.3	-40.4	-175.1	-167.6	166.9	-24.4	0	0	113.4	L164 Q178 L179 Q180	L164-Q182 VanDerWaalsContact CD2-OE1 3.26Å; Q178-Q182 PolarHBondContact O-N 3.08Å; Q178-Q182 VanDerWaalsContact O-N 3.14Å; L179-Q182 PolarHBondContact O-N 2.87Å; Q180-Q182 PolarHBondContact O-N 3.3Å
183	E	74.6	Confident	80.4	Confident	64 Å²	64	63 Å²	63	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	-110.2	-1.3	-177.1	-65.7	-75.8	115.7	0	0	113.4	L156 V162 L179 I185	L156-E183 HydrophobicContact CD1-CG 4.1Å; L156-E183 WeakPolarHBondContact CD1-OE2 3.37Å; V162-E183 HydrophobicContact CG2-CG 4.01Å; L179-E183 HydrophobicContact CD1-CB 4.48Å; L179-E183 HydrophobicContact CD1-CG 3.88Å; L179-E183 PolarHBondContact O-N 2.99Å; E183-I185 VanDerWaalsContact C-N 3.26Å; E183-I185 HydrophobicContact CB-CD1 3.65Å; E183-I185 HydrophobicContact CB-CG1 3.9Å; E183-I185 HydrophobicContact CG-CD1 4.49Å; E183-I185 PolarHBondContact O-N 2.85Å
184	D	73.3	Confident	80.6	Confident	151 Å²	151	63.9 Å²	63.9	81%	0.807	32%	0.319	S	S	*	.			trans	59	31.8	-176.4	-153.3	-116.3	0	0	0	113.8	Q180	Q180-D184 WeakPolarHBondContact O-CA 3.4Å; Q180-D184 PolarHBondContact O-N 3.46Å
185	I	75.3	Confident	80.3	Confident	23 Å²	23	65.3 Å²	65.3	12%	0.118	34%	0.338	C	S	.	.			trans	-101.9	126.8	-178.2	-57.2	168.2	0	0	0	109.6	L156 Q180 E183 V187 Q189 Q190 V220	L156-I185 HydrophobicContact CD2-CD1 4.18Å; Q180-I185 WeakPolarHBondContact CA-O 3.47Å; Q180-I185 WeakPolarHBondContact CB-O 3.29Å; Q180-I185 VanDerWaalsContact CG-O 3.3Å; Q180-I185 WeakPolarHBondContact CG-O 3.46Å; E183-I185 VanDerWaalsContact C-N 3.26Å; E183-I185 HydrophobicContact CB-CD1 3.65Å; E183-I185 HydrophobicContact CB-CG1 3.9Å; E183-I185 HydrophobicContact CG-CD1 4.49Å; E183-I185 PolarHBondContact O-N 2.85Å; I185-V187 PolarHBondContact O-N 3.4Å; I185-Q189 HydrophobicContact CG2-CB 4.43Å; I185-Q190 HydrophobicContact CB-CG 4.28Å; I185-Q190 HydrophobicContact CG2-CG 3.63Å; I185-Q190 PolarHBondContact O-NE2 3.34Å; I185-V220 HydrophobicContact CD1-CG1 4.24Å; I185-V220 HydrophobicContact CD1-CG2 3.86Å; I185-V220 HydrophobicContact CG2-CG1 3.52Å; I185-V220 HydrophobicContact CG2-CG2 4.28Å
186	D	77.8	Confident	79.9	Confident	63 Å²	63	68.8 Å²	68.8	34%	0.337	38%	0.375	S	S	.	.			trans	-62.6	137.4	-178.8	-161.3	-83.2	0	0	0	112.9	Q180 L188 Q189 Q190	Q180-D186 PolarHBondContact NE2-OD2 3.31Å; D186-L188 PolarHBondContact O-N 3.28Å; D186-L188 VanDerWaalsContact O-N 3.11Å; D186-L188 WeakPolarHBondContact OD1-CB 3.45Å; D186-L188 PolarHBondContact OD1-N 3.43Å; D186-Q189 HydrophobicContact CB-CG 4.36Å; D186-Q189 WeakPolarHBondContact O-CB 3.38Å; D186-Q189 PolarHBondContact O-N 2.91Å; D186-Q190 WeakPolarHBondContact O-CG 3.36Å; D186-Q190 PolarHBondContact O-N 2.95Å
187	V	76.1	Confident	79.9	Confident	47 Å²	47	75 Å²	75	29%	0.285	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.2	-178.2	-63.4	0	0	0	0	113.5	K176 Q180 I185	K176-V187 HydrophobicContact CB-CB 4.26Å; K176-V187 HydrophobicContact CB-CG1 3.92Å; Q180-V187 HydrophobicContact CB-CG1 4.17Å; I185-V187 PolarHBondContact O-N 3.4Å
188	L	77.7	Confident	80	Confident	155 Å²	155	72 Å²	72	81%	0.812	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.9	176.7	-67.4	170.5	0	0	0	112.3	D186	D186-L188 PolarHBondContact O-N 3.28Å; D186-L188 VanDerWaalsContact O-N 3.11Å; D186-L188 WeakPolarHBondContact OD1-CB 3.45Å; D186-L188 PolarHBondContact OD1-N 3.43Å
189	Q	79.6	Confident	80.1	Confident	44 Å²	44	69.4 Å²	69.4	21%	0.206	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.4	178	-68.6	175.3	-26.3	0	0	112.4	I185 D186 N221 Q223 A224	I185-Q189 HydrophobicContact CG2-CB 4.43Å; D186-Q189 HydrophobicContact CB-CG 4.36Å; D186-Q189 WeakPolarHBondContact O-CB 3.38Å; D186-Q189 PolarHBondContact O-N 2.91Å; Q189-N221 WeakPolarHBondContact CG-O 3.49Å; Q189-N221 PolarHBondContact O-N 3.15Å; Q189-Q223 PolarHBondContact NE2-O 3.02Å; Q189-A224 PolarHBondContact NE2-O 3.23Å
190	Q	82.1	Confident	80	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	109	178.3	-61.2	175.6	21.8	0	0	112.1	K176 I185 D186 V218	K176-Q190 PolarHBondContact NZ-O 2.86Å; K176-Q190 PolarHBondContact O-NE2 3.28Å; K176-Q190 PolarHBondContact O-OE1 2.93Å; I185-Q190 HydrophobicContact CB-CG 4.28Å; I185-Q190 HydrophobicContact CG2-CG 3.63Å; I185-Q190 PolarHBondContact O-NE2 3.34Å; D186-Q190 WeakPolarHBondContact O-CG 3.36Å; D186-Q190 PolarHBondContact O-N 2.95Å; Q190-V218 HydrophobicContact CB-CG1 4.07Å; Q190-V218 HydrophobicContact CG-CG1 4.36Å
191	R	84.7	Confident	79.8	Confident	129 Å²	129	74.4 Å²	74.4	49%	0.487	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.6	170.1	-64	-175.1	-179.3	-133.2	-0.1	110.3	F193 L198 V218 I219	R191-F193 HydrophobicContact CB-CD2 4.33Å; R191-F193 HydrophobicContact CB-CE2 3.55Å; R191-F193 HydrophobicContact CB-CZ 4.24Å; R191-F193 WeakPolarHBondContact O-CD2 3.47Å; R191-L198 HydrophobicContact CB-CD1 4.2Å; R191-V218 CarbonylContact O-C 3.59Å; R191-V218 WeakPolarHBondContact O-CA 3.34Å; R191-I219 HydrophobicContact CB-CB 4.37Å; R191-I219 PolarHBondContact N-O 3.38Å; R191-I219 PolarHBondContact O-N 2.82Å
192	W	86.4	Confident	79.7	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.9	-176.6	-71.7	50	0	0	0	109.8	V154 L164 I172 L175 K176 L179 L198 L199 I216 Q217 V218	V154-W192 HydrophobicContact CG2-CH2 4.03Å; V154-W192 HydrophobicContact CG2-CZ3 4.18Å; L164-W192 HydrophobicContact CD1-CH2 3.57Å; L164-W192 HydrophobicContact CD1-CZ2 4.21Å; I172-W192 HydrophobicContact CD1-CE3 4.49Å; I172-W192 HydrophobicContact CG2-CB 4.4Å; I172-W192 HydrophobicContact CG2-CD2 4.26Å; I172-W192 HydrophobicContact CG2-CE3 4.17Å; I172-W192 HydrophobicContact CG2-CG 4.34Å; L175-W192 HydrophobicContact CB-CH2 3.51Å; L175-W192 HydrophobicContact CB-CZ2 4.25Å; L175-W192 HydrophobicContact CB-CZ3 3.79Å; L175-W192 HydrophobicContact CD1-CH2 4.36Å; L175-W192 HydrophobicContact CD1-CZ3 3.92Å; K176-W192 HydrophobicContact CG-CD2 4.36Å; K176-W192 HydrophobicContact CG-CG 4.41Å; K176-W192 HydrophobicContact CG-CZ2 4.28Å; L179-W192 HydrophobicContact CB-CZ2 3.95Å; L179-W192 HydrophobicContact CD2-CH2 4.43Å; L179-W192 HydrophobicContact CD2-CZ2 3.53Å; L179-W192 HydrophobicContact CG-CZ2 4.39Å; W192-L198 WeakPolarHBondContact O-CD1 3.48Å; W192-L199 HydrophobicContact CB-CB 4.04Å; W192-L199 PolarHBondContact O-N 2.94Å; W192-I216 HydrophobicContact CB-CG2 4.27Å; W192-I216 HydrophobicContact CD2-CG2 4.23Å; W192-I216 HydrophobicContact CE3-CB 4.41Å; W192-I216 HydrophobicContact CE3-CD1 3.87Å; W192-I216 HydrophobicContact CE3-CG2 3.63Å; W192-I216 HydrophobicContact CZ3-CD1 3.89Å; W192-I216 HydrophobicContact CZ3-CG2 4.26Å; W192-Q217 CarbonylContact C-O 3.44Å; W192-V218 HydrophobicContact CB-CG2 4.43Å; W192-V218 HydrophobicContact CD2-CG2 3.59Å; W192-V218 HydrophobicContact CE3-CG2 4.23Å; W192-V218 HydrophobicContact CG-CG2 3.7Å; W192-V218 HydrophobicContact CZ2-CG2 4.13Å
193	F	85.3	Confident	79.8	Confident	55 Å²	55	75.8 Å²	75.8	24%	0.241	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.7	-179.9	-66.7	-90.8	0	0	0	110.1	R191 K197 L198 I216 Q217 I219	R191-F193 HydrophobicContact CB-CD2 4.33Å; R191-F193 HydrophobicContact CB-CE2 3.55Å; R191-F193 HydrophobicContact CB-CZ 4.24Å; R191-F193 WeakPolarHBondContact O-CD2 3.47Å; F193-K197 CarbonylContact C-O 3.57Å; F193-K197 WeakPolarHBondContact CA-O 3.45Å; F193-L198 HydrophobicContact CD1-CB 4.27Å; F193-L198 HydrophobicContact CD1-CD1 4.18Å; F193-L198 HydrophobicContact CD2-CD1 4.44Å; F193-L198 HydrophobicContact CE1-CB 4.04Å; F193-L198 HydrophobicContact CE1-CD1 3.72Å; F193-L198 HydrophobicContact CE1-CG 4.48Å; F193-L198 HydrophobicContact CE2-CD1 4.01Å; F193-L198 HydrophobicContact CZ-CD1 3.63Å; F193-I216 WeakPolarHBondContact O-CG2 3.36Å; F193-Q217 HydrophobicContact CB-CB 4.44Å; F193-Q217 PolarHBondContact N-O 3.14Å; F193-Q217 PolarHBondContact O-N 2.86Å; F193-I219 HydrophobicContact CD2-CB 4.48Å; F193-I219 HydrophobicContact CD2-CD1 3.82Å; F193-I219 HydrophobicContact CD2-CG1 3.86Å; F193-I219 HydrophobicContact CE2-CB 4.13Å; F193-I219 HydrophobicContact CE2-CD1 3.49Å; F193-I219 VanDerWaalsContact CE2-CD1 3.49Å; F193-I219 HydrophobicContact CE2-CG1 3.8Å; F193-I219 HydrophobicContact CZ-CD1 4.23Å
194	F	84.9	Confident	79.9	Confident	29 Å²	29	79.2 Å²	79.2	13%	0.127	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	122	175.7	179	-108.3	0	0	0	110.1	G196 K197 L199 I210 F214 I216	F194-G196 PolarHBondContact O-N 3.48Å; F194-G196 VanDerWaalsContact O-N 3.09Å; F194-K197 PolarHBondContact N-O 3.43Å; F194-K197 PolarHBondContact O-N 3.23Å; F194-L199 HydrophobicContact CB-CD1 3.64Å; F194-L199 HydrophobicContact CB-CD2 4.21Å; F194-L199 HydrophobicContact CB-CG 3.95Å; F194-I210 HydrophobicContact CB-CD1 4.31Å; F194-I210 HydrophobicContact CD1-CD1 3.96Å; F194-I210 HydrophobicContact CD1-CG1 3.62Å; F194-I210 HydrophobicContact CD2-CD1 4.33Å; F194-I210 HydrophobicContact CD2-CG1 4.1Å; F194-I210 HydrophobicContact CE1-CD1 4.39Å; F194-I210 HydrophobicContact CE1-CG1 3.54Å; F194-I210 HydrophobicContact CE2-CG1 4.06Å; F194-I210 HydrophobicContact CG-CD1 3.92Å; F194-I210 HydrophobicContact CG-CG1 3.89Å; F194-I210 HydrophobicContact CZ-CG1 3.78Å; F194-F214 HydrophobicContact CE2-CB 3.78Å; F194-F214 AromaticContact CE2-CD1 3.43Å; F194-F214 HydrophobicContact CE2-CD1 3.43Å; F194-F214 VanDerWaalsContact CE2-CD1 3.43Å; F194-F214 HydrophobicContact CE2-CE1 4.3Å; F194-F214 AromaticContact CE2-CG 3.86Å; F194-F214 HydrophobicContact CE2-CG 3.86Å; F194-F214 HydrophobicContact CZ-CB 4.27Å; F194-F214 AromaticContact CZ-CD1 3.4Å; F194-F214 HydrophobicContact CZ-CD1 3.4Å; F194-F214 VanDerWaalsContact CZ-CD1 3.4Å; F194-F214 AromaticContact CZ-CE1 3.87Å; F194-F214 HydrophobicContact CZ-CE1 3.87Å; F194-F214 AromaticContact CZ-CG 3.92Å; F194-F214 HydrophobicContact CZ-CG 3.92Å; F194-I216 HydrophobicContact CD2-CG1 4.3Å
195	S	77.4	Confident	80.1	Confident	114 Å²	114	72 Å²	72	80%	0.797	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.7	-177.9	-167.8	0	0	0	0	113.8
196	G	76.3	Confident	79.9	Confident	75 Å²	75	76.1 Å²	76.1	77%	0.773	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-0.8	-177.5	0	0	0	0	0	115.8	F194	F194-G196 PolarHBondContact O-N 3.48Å; F194-G196 VanDerWaalsContact O-N 3.09Å
197	K	82.7	Confident	79.6	Confident	161 Å²	161	79.4 Å²	79.4	70%	0.7	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.9	174.7	-64.6	-178.1	179.8	177.3	0	110.8	F193 F194 L199	F193-K197 CarbonylContact C-O 3.57Å; F193-K197 WeakPolarHBondContact CA-O 3.45Å; F194-K197 PolarHBondContact N-O 3.43Å; F194-K197 PolarHBondContact O-N 3.23Å; K197-L199 PolarHBondContact O-N 2.93Å
198	L	84.1	Confident	79	Confident	90 Å²	90	78.6 Å²	78.6	47%	0.471	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.6	171.3	-177.8	74.8	0	0	0	109.2	R191 W192 F193	R191-L198 HydrophobicContact CB-CD1 4.2Å; W192-L198 WeakPolarHBondContact O-CD1 3.48Å; F193-L198 HydrophobicContact CD1-CB 4.27Å; F193-L198 HydrophobicContact CD1-CD1 4.18Å; F193-L198 HydrophobicContact CD2-CD1 4.44Å; F193-L198 HydrophobicContact CE1-CB 4.04Å; F193-L198 HydrophobicContact CE1-CD1 3.72Å; F193-L198 HydrophobicContact CE1-CG 4.48Å; F193-L198 HydrophobicContact CE2-CD1 4.01Å; F193-L198 HydrophobicContact CZ-CD1 3.63Å
199	L	83.2	Confident	78.4	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.042	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.4	175	-63.6	-179.3	0	0	0	110	I172 W192 F194 K197 T203 T208 I210 I216	I172-L199 HydrophobicContact CD1-CB 4.48Å; I172-L199 HydrophobicContact CD1-CD1 3.75Å; I172-L199 HydrophobicContact CG1-CB 4.15Å; I172-L199 HydrophobicContact CG1-CD1 4.28Å; I172-L199 HydrophobicContact CG2-CB 4.13Å; W192-L199 HydrophobicContact CB-CB 4.04Å; W192-L199 PolarHBondContact O-N 2.94Å; F194-L199 HydrophobicContact CB-CD1 3.64Å; F194-L199 HydrophobicContact CB-CD2 4.21Å; F194-L199 HydrophobicContact CB-CG 3.95Å; K197-L199 PolarHBondContact O-N 2.93Å; L199-T203 HydrophobicContact CD2-CG2 4.13Å; L199-T208 HydrophobicContact CD2-CG2 3.75Å; L199-I210 HydrophobicContact CD1-CD1 3.8Å; L199-I216 HydrophobicContact CD1-CD1 3.98Å; L199-I216 HydrophobicContact CD1-CG2 4.36Å
200	T	81.6	Confident	77.9	Confident	67 Å²	67	77.6 Å²	77.6	41%	0.411	39%	0.393	S	S	.	.			trans	-104.1	161.1	177.7	65.2	0	0	0	0	111	K202 T203	T200-K202 PolarHBondContact O-N 2.79Å; T200-T203 PolarHBondContact N-OG1 2.96Å; T200-T203 WeakPolarHBondContact O-CB 3.5Å; T200-T203 PolarHBondContact O-N 2.98Å; T200-T203 PolarHBondContact O-OG1 3.25Å; T200-T203 PolarHBondContact OG1-OG1 3.29Å
201	D	77.7	Confident	76.9	Confident	95 Å²	95	83.3 Å²	83.3	51%	0.508	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.2	178.3	-169.9	-83.3	0	0	0	113.1	G173 T203	G173-D201 WeakPolarHBondContact CA-OD2 3.11Å; D201-T203 PolarHBondContact O-N 3.22Å
202	K	77.3	Confident	76	Confident	193 Å²	193	83.6 Å²	83.6	84%	0.839	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.4	178.2	-60.6	-177.6	179.6	177.7	0	113.5	T200	T200-K202 PolarHBondContact O-N 2.79Å
203	T	77.6	Confident	75.1	Confident	28 Å²	28	89.9 Å²	89.9	17%	0.172	46%	0.458	C	S	.	.			trans	-82.1	129.9	-177.7	-51	0	0	0	0	109.9	I172 L199 T200 D201 T208	I172-T203 WeakPolarHBondContact CG1-O 3.42Å; I172-T203 PolarHBondContact N-O 3.38Å; I172-T203 VanDerWaalsContact N-O 3.08Å; L199-T203 HydrophobicContact CD2-CG2 4.13Å; T200-T203 PolarHBondContact N-OG1 2.96Å; T200-T203 WeakPolarHBondContact O-CB 3.5Å; T200-T203 PolarHBondContact O-N 2.98Å; T200-T203 PolarHBondContact O-OG1 3.25Å; T200-T203 PolarHBondContact OG1-OG1 3.29Å; D201-T203 PolarHBondContact O-N 3.22Å; T203-T208 HydrophobicContact CG2-CG2 3.17Å
204	R	77.1	Confident	74.8	Confident	136 Å²	136	91.1 Å²	91.1	51%	0.513	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-95	151	177.2	-62.8	179.9	-179.8	-159.5	0.4	110.9	T171 Q206 D207 T208	T171-R204 HydrophobicContact CG2-CG 4.08Å; R204-Q206 VanDerWaalsContact C-N 3.34Å; R204-Q206 HydrophobicContact CB-CG 3.89Å; R204-Q206 PolarHBondContact O-N 3.41Å; R204-D207 HydrophobicContact CB-CB 4.45Å; R204-D207 PolarHBondContact O-N 2.87Å; R204-T208 PolarHBondContact O-N 3.44Å; R204-T208 PolarHBondContact O-OG1 3.07Å
205	L	77.7	Confident	74.7	Confident	0 Å²	0	92.9 Å²	92.9	0%	0	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-40	178.1	-83.8	80.7	0	0	0	112.2	F150 L152 A166 D170 I172 L175 D207 T208	F150-L205 HydrophobicContact CE2-CD2 4.3Å; F150-L205 HydrophobicContact CZ-CD2 3.67Å; L152-L205 HydrophobicContact CD2-CD2 4.31Å; A166-L205 HydrophobicContact CB-CD2 3.74Å; D170-L205 HydrophobicContact CB-CD1 4.41Å; D170-L205 WeakPolarHBondContact O-CD1 3.21Å; D170-L205 PolarHBondContact O-N 3.48Å; I172-L205 HydrophobicContact CD1-CD1 3.82Å; I172-L205 HydrophobicContact CD1-CG 4.35Å; I172-L205 HydrophobicContact CG1-CD1 4.48Å; L175-L205 HydrophobicContact CD1-CD1 3.69Å; L175-L205 HydrophobicContact CD1-CD2 3.99Å; L175-L205 HydrophobicContact CD1-CG 4.32Å; L175-L205 HydrophobicContact CG-CD1 4.34Å; L205-D207 VanDerWaalsContact C-N 3.26Å; L205-D207 PolarHBondContact O-N 3.43Å; L205-T208 PolarHBondContact O-N 3.05Å; L205-T208 PolarHBondContact O-OG1 3.33Å
206	Q	71.3	Confident	75.2	Confident	108 Å²	108	87.4 Å²	87.4	51%	0.505	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.2	175.7	60.8	179.9	21.2	0	0	114.1	M168 R204	M168-Q206 WeakPolarHBondContact O-CB 3.46Å; M168-Q206 PolarHBondContact O-N 3.25Å; R204-Q206 VanDerWaalsContact C-N 3.34Å; R204-Q206 HydrophobicContact CB-CG 3.89Å; R204-Q206 PolarHBondContact O-N 3.41Å
207	D	71.6	Confident	75.7	Confident	132 Å²	132	89.2 Å²	89.2	71%	0.706	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-28.9	-175.2	-169.4	-105.5	0	0	0	111.9	R204 L205 K209	R204-D207 HydrophobicContact CB-CB 4.45Å; R204-D207 PolarHBondContact O-N 2.87Å; L205-D207 VanDerWaalsContact C-N 3.26Å; L205-D207 PolarHBondContact O-N 3.43Å; D207-K209 VanDerWaalsContact C-N 3.33Å; D207-K209 PolarHBondContact O-N 3.33Å
208	T	62.6	Low	75.9	Confident	30 Å²	30	81.5 Å²	81.5	18%	0.184	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.2	-174.7	46.5	0	0	0	0	113.8	L199 T203 R204 L205 I210	L199-T208 HydrophobicContact CD2-CG2 3.75Å; T203-T208 HydrophobicContact CG2-CG2 3.17Å; R204-T208 PolarHBondContact O-N 3.44Å; R204-T208 PolarHBondContact O-OG1 3.07Å; L205-T208 PolarHBondContact O-N 3.05Å; L205-T208 PolarHBondContact O-OG1 3.33Å; T208-I210 HydrophobicContact CG2-CD1 4.44Å; T208-I210 PolarHBondContact O-N 2.85Å; T208-I210 VanDerWaalsContact O-N 3.15Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.49Å; T208-I210 VanDerWaalsContact OG1-CG1 3.26Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.37Å
209	K	66.1	Low	75.9	Confident	178 Å²	178	80.3 Å²	80.3	77%	0.774	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	25.5	-173	-58.3	-177	179.5	-177.9	0	113.1	D207 Q211	D207-K209 VanDerWaalsContact C-N 3.33Å; D207-K209 PolarHBondContact O-N 3.33Å; K209-Q211 PolarHBondContact O-N 3.12Å; K209-Q211 VanDerWaalsContact O-N 3.15Å
210	I	68.8	Low	75.8	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.391	C	S	.	.			trans	-71.7	109	175.9	-64	170.8	0	0	0	107.1	L152 F194 L199 T208 F214 I216	L152-I210 HydrophobicContact CD1-CG2 3.66Å; F194-I210 HydrophobicContact CB-CD1 4.31Å; F194-I210 HydrophobicContact CD1-CD1 3.96Å; F194-I210 HydrophobicContact CD1-CG1 3.62Å; F194-I210 HydrophobicContact CD2-CD1 4.33Å; F194-I210 HydrophobicContact CD2-CG1 4.1Å; F194-I210 HydrophobicContact CE1-CD1 4.39Å; F194-I210 HydrophobicContact CE1-CG1 3.54Å; F194-I210 HydrophobicContact CE2-CG1 4.06Å; F194-I210 HydrophobicContact CG-CD1 3.92Å; F194-I210 HydrophobicContact CG-CG1 3.89Å; F194-I210 HydrophobicContact CZ-CG1 3.78Å; L199-I210 HydrophobicContact CD1-CD1 3.8Å; T208-I210 HydrophobicContact CG2-CD1 4.44Å; T208-I210 PolarHBondContact O-N 2.85Å; T208-I210 VanDerWaalsContact O-N 3.15Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.49Å; T208-I210 VanDerWaalsContact OG1-CG1 3.26Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.37Å; I210-F214 HydrophobicContact CG2-CB 4.08Å; I210-I216 HydrophobicContact CD1-CD1 4Å
211	Q	61.5	Low	75.5	Confident	121 Å²	121	81.5 Å²	81.5	57%	0.565	39%	0.391	S	S	*	.			trans	-87.3	168.6	174.9	-51.6	-176	-50.6	0	0	111.3	K209 D213 F214	K209-Q211 PolarHBondContact O-N 3.12Å; K209-Q211 VanDerWaalsContact O-N 3.15Å; Q211-D213 PolarHBondContact O-N 3.49Å; Q211-F214 HydrophobicContact CB-CD2 3.56Å; Q211-F214 HydrophobicContact CB-CE2 3.61Å; Q211-F214 HydrophobicContact CG-CD2 4.14Å; Q211-F214 HydrophobicContact CG-CE2 3.72Å; Q211-F214 WeakPolarHBondContact O-CB 3.43Å; Q211-F214 PolarHBondContact O-N 3.48Å
212	K	64.3	Low	74.6	Confident	135 Å²	135	81.2 Å²	81.2	59%	0.587	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-9.3	-178.4	59.8	178.1	-175.3	178.8	0	117.1	F150	F150-K212 HydrophobicContact CB-CB 3.66Å; F150-K212 VanDerWaalsContact CD2-CA 3.4Å; F150-K212 HydrophobicContact CD2-CB 3.57Å; F150-K212 HydrophobicContact CE2-CB 4.28Å; F150-K212 HydrophobicContact CG-CB 3.68Å
213	D	68.2	Low	73.1	Confident	133 Å²	133	80.2 Å²	80.2	71%	0.711	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	7.8	179.5	-71.6	-79.2	0	0	0	113	Q211	Q211-D213 PolarHBondContact O-N 3.49Å
214	F	79.3	Confident	71.4	Confident	81 Å²	81	82.7 Å²	82.7	36%	0.355	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-82.4	150.1	-180	-81.7	-92	0	0	0	112.5	F194 I210 Q211	F194-F214 HydrophobicContact CE2-CB 3.78Å; F194-F214 AromaticContact CE2-CD1 3.43Å; F194-F214 HydrophobicContact CE2-CD1 3.43Å; F194-F214 VanDerWaalsContact CE2-CD1 3.43Å; F194-F214 HydrophobicContact CE2-CE1 4.3Å; F194-F214 AromaticContact CE2-CG 3.86Å; F194-F214 HydrophobicContact CE2-CG 3.86Å; F194-F214 HydrophobicContact CZ-CB 4.27Å; F194-F214 AromaticContact CZ-CD1 3.4Å; F194-F214 HydrophobicContact CZ-CD1 3.4Å; F194-F214 VanDerWaalsContact CZ-CD1 3.4Å; F194-F214 AromaticContact CZ-CE1 3.87Å; F194-F214 HydrophobicContact CZ-CE1 3.87Å; F194-F214 AromaticContact CZ-CG 3.92Å; F194-F214 HydrophobicContact CZ-CG 3.92Å; I210-F214 HydrophobicContact CG2-CB 4.08Å; Q211-F214 HydrophobicContact CB-CD2 3.56Å; Q211-F214 HydrophobicContact CB-CE2 3.61Å; Q211-F214 HydrophobicContact CG-CD2 4.14Å; Q211-F214 HydrophobicContact CG-CE2 3.72Å; Q211-F214 WeakPolarHBondContact O-CB 3.43Å; Q211-F214 PolarHBondContact O-N 3.48Å
215	V	83.7	Confident	69.7	Low	65 Å²	65	82.5 Å²	82.5	39%	0.394	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.7	176.6	-174.8	0	0	0	0	109.4	K153 R155	K153-V215 HydrophobicContact CB-CG2 4.25Å; K153-V215 HydrophobicContact CD-CG2 4.05Å; K153-V215 HydrophobicContact CG-CG2 4.25Å; K153-V215 CarbonylContact O-C 3.57Å; K153-V215 VanDerWaalsContact O-CA 3.3Å; K153-V215 WeakPolarHBondContact O-CA 3.14Å; R155-V215 HydrophobicContact CB-CG1 3.75Å
216	I	86.9	Confident	67.9	Low	0 Å²	0	85.6 Å²	85.6	0%	0	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.9	170.1	-60.1	-172.6	0	0	0	109.2	L152 K153 V154 R155 I172 W192 F193 F194 L199 I210 V218	L152-I216 HydrophobicContact CD1-CD1 4.24Å; L152-I216 HydrophobicContact CD1-CG1 4.27Å; L152-I216 HydrophobicContact CD2-CD1 3.61Å; L152-I216 HydrophobicContact CD2-CG1 4.34Å; L152-I216 HydrophobicContact CG-CD1 4.28Å; K153-I216 PolarHBondContact O-N 3.2Å; V154-I216 CarbonylContact C-O 3.6Å; V154-I216 WeakPolarHBondContact CA-O 3.34Å; R155-I216 PolarHBondContact N-O 3.05Å; I172-I216 HydrophobicContact CD1-CD1 4.49Å; W192-I216 HydrophobicContact CB-CG2 4.27Å; W192-I216 HydrophobicContact CD2-CG2 4.23Å; W192-I216 HydrophobicContact CE3-CB 4.41Å; W192-I216 HydrophobicContact CE3-CD1 3.87Å; W192-I216 HydrophobicContact CE3-CG2 3.63Å; W192-I216 HydrophobicContact CZ3-CD1 3.89Å; W192-I216 HydrophobicContact CZ3-CG2 4.26Å; F193-I216 WeakPolarHBondContact O-CG2 3.36Å; F194-I216 HydrophobicContact CD2-CG1 4.3Å; L199-I216 HydrophobicContact CD1-CD1 3.98Å; L199-I216 HydrophobicContact CD1-CG2 4.36Å; I210-I216 HydrophobicContact CD1-CD1 4Å; I216-V218 HydrophobicContact CG2-CG2 4.27Å
217	Q	86.5	Confident	66.4	Low	112 Å²	112	84.7 Å²	84.7	52%	0.523	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.7	175.4	-167.5	158.1	37.4	0	0	110.1	R155 W192 F193	R155-Q217 CarbonylContact O-C 3.51Å; R155-Q217 WeakPolarHBondContact O-CA 3.47Å; W192-Q217 CarbonylContact C-O 3.44Å; F193-Q217 HydrophobicContact CB-CB 4.44Å; F193-Q217 PolarHBondContact N-O 3.14Å; F193-Q217 PolarHBondContact O-N 2.86Å
218	V	86.1	Confident	65	Low	0 Å²	0	83.9 Å²	83.9	0%	0	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.4	178.7	176.9	0	0	0	0	108.8	V154 R155 L156 S157 L179 Q190 R191 W192 I216 V220	V154-V218 HydrophobicContact CG1-CB 4.01Å; V154-V218 HydrophobicContact CG1-CG2 3.3Å; R155-V218 PolarHBondContact O-N 3.2Å; L156-V218 CarbonylContact C-O 3.57Å; L156-V218 WeakPolarHBondContact CA-O 3.46Å; L156-V218 HydrophobicContact CD2-CB 4.08Å; L156-V218 HydrophobicContact CD2-CG1 4.03Å; S157-V218 PolarHBondContact N-O 2.91Å; L179-V218 HydrophobicContact CD2-CB 4.5Å; L179-V218 HydrophobicContact CD2-CG1 4.08Å; L179-V218 HydrophobicContact CD2-CG2 4.24Å; Q190-V218 HydrophobicContact CB-CG1 4.07Å; Q190-V218 HydrophobicContact CG-CG1 4.36Å; R191-V218 CarbonylContact O-C 3.59Å; R191-V218 WeakPolarHBondContact O-CA 3.34Å; W192-V218 HydrophobicContact CB-CG2 4.43Å; W192-V218 HydrophobicContact CD2-CG2 3.59Å; W192-V218 HydrophobicContact CE3-CG2 4.23Å; W192-V218 HydrophobicContact CG-CG2 3.7Å; W192-V218 HydrophobicContact CZ2-CG2 4.13Å; I216-V218 HydrophobicContact CG2-CG2 4.27Å; V218-V220 HydrophobicContact CG1-CG2 4.17Å
219	I	85.3	Confident	63.7	Low	65 Å²	65	91.6 Å²	91.6	33%	0.333	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.1	171.7	-55.5	-177.1	0	0	0	107.3	R191 F193	R191-I219 HydrophobicContact CB-CB 4.37Å; R191-I219 PolarHBondContact N-O 3.38Å; R191-I219 PolarHBondContact O-N 2.82Å; F193-I219 HydrophobicContact CD2-CB 4.48Å; F193-I219 HydrophobicContact CD2-CD1 3.82Å; F193-I219 HydrophobicContact CD2-CG1 3.86Å; F193-I219 HydrophobicContact CE2-CB 4.13Å; F193-I219 HydrophobicContact CE2-CD1 3.49Å; F193-I219 VanDerWaalsContact CE2-CD1 3.49Å; F193-I219 HydrophobicContact CE2-CG1 3.8Å; F193-I219 HydrophobicContact CZ-CD1 4.23Å
220	V	80	Confident	62.6	Low	22 Å²	22	88.5 Å²	88.5	13%	0.133	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.9	176.2	-176.4	0	0	0	0	107.6	L156 S157 I185 V218 A222	L156-V220 HydrophobicContact CD2-CG2 3.77Å; S157-V220 PolarHBondContact OG-N 3.47Å; I185-V220 HydrophobicContact CD1-CG1 4.24Å; I185-V220 HydrophobicContact CD1-CG2 3.86Å; I185-V220 HydrophobicContact CG2-CG1 3.52Å; I185-V220 HydrophobicContact CG2-CG2 4.28Å; V218-V220 HydrophobicContact CG1-CG2 4.17Å; V220-A222 PolarHBondContact O-N 3.18Å
221	N	75.3	Confident	61.1	Low	78 Å²	78	93.4 Å²	93.4	42%	0.417	55%	0.554	S	S	.	*			trans	-86.9	91.9	169.5	-76.7	15.6	0	0	0	108	Q189 Q223	Q189-N221 WeakPolarHBondContact CG-O 3.49Å; Q189-N221 PolarHBondContact O-N 3.15Å; N221-Q223 PolarHBondContact O-N 2.76Å
222	A	59.4	Low	60.3	Low	88 Å²	88	94 Å²	94	73%	0.727	57%	0.568	S	S	*	*			trans	-73.4	43.8	178.1	0	0	0	0	0	113.1	V220	V220-A222 PolarHBondContact O-N 3.18Å
223	Q	45.9	Very low	59.4	Low	173 Å²	173	95 Å²	95	81%	0.808	58%	0.578	S	S	*	*			trans	-108.5	122.9	172.1	-66.5	-151.7	-19.8	0	0	109.7	Q189 N221	Q189-Q223 PolarHBondContact NE2-O 3.02Å; N221-Q223 PolarHBondContact O-N 2.76Å
224	A	41.5	Very low	58	Low	80 Å²	80	94.3 Å²	94.3	66%	0.661	58%	0.579	S	S	*	*			trans	81.2	69.1	-175.9	0	0	0	0	0	115.7	Q189 G226	Q189-A224 PolarHBondContact NE2-O 3.23Å; A224-G226 VanDerWaalsContact C-N 3.27Å; A224-G226 PolarHBondContact O-N 2.74Å; A224-G226 VanDerWaalsContact O-N 3.09Å
225	S	40.9	Very low	56.2	Low	131 Å²	131	96.3 Å²	96.3	92%	0.916	60%	0.598	S	S	*	*			trans	-57.7	98.3	136	53.3	0	0	0	0	107.8
226	G	41.3	Very low	54.1	Low	65 Å²	65	98.4 Å²	98.4	67%	0.67	62%	0.616	S	S	*	*			trans	-147.8	102.9	-178	0	0	0	0	0	111.1	A224	A224-G226 VanDerWaalsContact C-N 3.27Å; A224-G226 PolarHBondContact O-N 2.74Å; A224-G226 VanDerWaalsContact O-N 3.09Å
227	A	38.5	Very low	51.8	Low	90 Å²	90	103.7 Å²	103.7	74%	0.744	65%	0.653	S	S	*	*			trans	77	87.1	165.7	0	0	0	0	0	117.1	K229	A227-K229 PolarHBondContact O-N 3.29Å
228	S	43.5	Very low	49.7	Very low	114 Å²	114	103.7 Å²	103.7	80%	0.797	67%	0.665	S	S	*	*				-32.5	126.8	126.6	27.3	0	0	0	0	111.6
229	K	35.8	Very low	48.3	Very low	193 Å²	193	109.6 Å²	109.6	84%	0.839	70%	0.704	S	S	*	*			trans	-135.9	103.4	157.5	-110.9	-177.9	179	-177	0	109.6	A227	A227-K229 PolarHBondContact O-N 3.29Å
230	P	42.8	Very low	46.2	Very low	112 Å²	112	115.5 Å²	115.5	73%	0.727	73%	0.727	S	S	*	*			trans	-65.3	138.1	161.2	28	-31.3	0	0	0	109.4
231	S	37.3	Very low	44.7	Very low	103 Å²	103	120.1 Å²	120.1	72%	0.72	76%	0.76	S	S	*	*			trans	30.1	124.6	155.5	-46.4	0	0	0	0	119.3	I233	S231-I233 PolarHBondContact O-N 3.19Å; S231-I233 VanDerWaalsContact O-N 3.12Å
232	P	44.2	Very low	43.4	Very low	134 Å²	134	128.3 Å²	128.3	87%	0.87	80%	0.796	S	S	*	*			trans	-68.3	113.3	168.5	28.5	-30.7	0	0	0	110.4
233	I	45.4	Very low	42.6	Very low	155 Å²	155	130.4 Å²	130.4	80%	0.795	80%	0.799	S	S	*	*			trans	-71.6	132	142.4	54.8	172.7	0	0	0	107.5	S231	S231-I233 PolarHBondContact O-N 3.19Å; S231-I233 VanDerWaalsContact O-N 3.12Å
234	T	38.8	Very low	42.4	Very low	120 Å²	120	128.1 Å²	128.1	74%	0.736	80%	0.799	S	S	*	*			trans	169.9	102.2	137.4	-80	0	0	0	0	108.3
235	T	41.8	Very low	42.5	Very low	122 Å²	122	130.8 Å²	130.8	75%	0.748	81%	0.807	S	S	*	*				78.6	141.1	84.5	-37.9	0	0	0	0	114.5
236	S	38.8	Very low	42.6	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	80%	0.8	S	S	*	*			trans	108.7	132.7	159.6	80.2	0	0	0	0	113.9
237	S	39.1	Very low	42.7	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	81%	0.808	S	S	*	*			cis	-169	149.1	14.2	31.9	0	0	0	0	111.2
238	S	42.9	Very low	42.9	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	81%	0.813	S	S	*	*			trans	-42.5	-178.4	165.1	-46.5	0	0	0	0	116.2
239	P	55.5	Low	42.9	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	81%	0.814	S	S	*	*			cis	-142.6	177.9	11.9	39.6	-16.7	0	0	0	118.2
240	K	41.3	Very low	43.4	Very low	189 Å²	189	135.5 Å²	135.5	82%	0.822	81%	0.812	S	S	*	*			trans	-35.6	141	165.2	-167.2	174.4	-172	177.2	0	116.7
241	S	49.8	Very low	43.5	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	82%	0.819	S	S	*	*			trans	-155.9	144.4	133.9	-151.6	0	0	0	0	111.8
242	Q	47.2	Very low	44.1	Very low	250 Å²	250	140.5 Å²	140.5	100%	1.168	83%	0.828	S	S	*	*			trans	-61.6	0	175.7	-74.4	168.2	-88.3	0	0	113.2

Retrieved 242 of 242 residues in 373.7 ms (Link to these results)

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