A0A5K4F9Q3_SCHMA Loading...

Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F9Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	28.8	Very low	248 Å²	248	173.3 Å²	173.3	100%	1.222	87%	0.869	S	S	*	*				0	89.3	0	-66.7	-168.1	-175.2	0	0	108.3
2	S	27.2	Very low	29.1	Very low	120 Å²	120	169.3 Å²	169.3	84%	0.839	87%	0.865	S	S	*	*			trans	-167.8	113.3	176.8	-178.7	0	0	0	0	106
3	I	30.1	Very low	29.7	Very low	174 Å²	174	164.2 Å²	164.2	89%	0.892	86%	0.863	S	S	*	*			trans	-110.2	117.5	177.9	-67.5	174.9	0	0	0	107
4	A	28.3	Very low	29.8	Very low	85 Å²	85	169.3 Å²	169.3	70%	0.702	87%	0.865	S	S	*	*			trans	-66.9	140.6	-172	0	0	0	0	0	113.4	R6	A4-R6 PolarHBondContact O-N 2.78Å
5	V	27.5	Very low	30	Very low	143 Å²	143	166.1 Å²	166.1	87%	0.867	86%	0.864	S	S	*	*			trans	-67.4	111.6	168.8	176.2	0	0	0	0	109.2
6	R	27.7	Very low	30.3	Very low	225 Å²	225	162 Å²	162	85%	0.849	85%	0.853	S	S	*	*			trans	-84.8	115.4	167.7	-92.3	-175.4	172.1	-167.8	-1.8	109.7	A4 F8	A4-R6 PolarHBondContact O-N 2.78Å; R6-F8 PolarHBondContact O-N 3.45Å
7	R	25	Very low	30.4	Very low	241 Å²	241	160.7 Å²	160.7	91%	0.909	86%	0.856	S	S	*	*			trans	-57.7	121.6	162.2	-83.5	177.2	167.9	173.3	-4.2	109.4
8	F	30.3	Very low	30.6	Very low	189 Å²	189	156.1 Å²	156.1	83%	0.829	85%	0.853	S	S	*	*			trans	-88.4	111.7	165.5	-91.7	-87.8	0	0	0	109.6	R6	R6-F8 PolarHBondContact O-N 3.45Å
9	T	25.7	Very low	31.1	Very low	122 Å²	122	157.8 Å²	157.8	75%	0.748	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.1	161.4	44.8	0	0	0	0	108.9	L11	T9-L11 PolarHBondContact O-N 3.34Å
10	F	33.2	Very low	31.3	Very low	209 Å²	209	153.9 Å²	153.9	92%	0.917	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.3	116.7	173.9	-94.7	-93.8	0	0	0	110.6
11	L	28.3	Very low	31.7	Very low	150 Å²	150	152.4 Å²	152.4	79%	0.785	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-77.3	148.3	157.4	-80.4	156.1	0	0	0	108.9	T9 A13	T9-L11 PolarHBondContact O-N 3.34Å; L11-A13 PolarHBondContact O-N 2.98Å
12	P	31.5	Very low	31.9	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.6	123.3	-177.6	29.7	-30.8	0	0	0	109.8
13	A	37.2	Very low	32.1	Very low	102 Å²	102	145.1 Å²	145.1	84%	0.843	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.5	137.9	177	0	0	0	0	0	111.2	L11	L11-A13 PolarHBondContact O-N 2.98Å
14	R	31	Very low	32.2	Very low	236 Å²	236	139.6 Å²	139.6	89%	0.891	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-54.7	145.3	179.1	-70.2	170.3	168.6	-179.8	-5.5	112.4	C16	R14-C16 PolarHBondContact O-N 3.16Å
15	S	32.4	Very low	32.5	Very low	121 Å²	121	139.2 Å²	139.2	85%	0.846	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-53.5	118.4	176.4	50.7	0	0	0	0	113.2
16	C	35.7	Very low	32.8	Very low	101 Å²	101	137.4 Å²	137.4	68%	0.682	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-94.2	137.8	159.2	-70.3	0	0	0	0	108.9	R14 G18	R14-C16 PolarHBondContact O-N 3.16Å; C16-G18 PolarHBondContact O-N 3.22Å
17	P	31.4	Very low	33.2	Very low	140 Å²	140	137.8 Å²	137.8	91%	0.909	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	116.2	179.3	30.2	-29.9	0	0	0	109
18	G	35.2	Very low	33.9	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.5	-11.1	177.9	0	0	0	0	0	115.5	C16	C16-G18 PolarHBondContact O-N 3.22Å
19	F	38.4	Very low	34.1	Very low	189 Å²	189	128.5 Å²	128.5	83%	0.829	73%	0.732	S	S	*	*			trans	-110.2	114.1	180	-92	-96	0	0	0	111.7	S21	F19-S21 PolarHBondContact O-N 2.96Å
20	S	36.5	Very low	34.6	Very low	79 Å²	79	126.1 Å²	126.1	55%	0.552	72%	0.724	S	S	*	*			trans	-79.6	106	165.1	61.2	0	0	0	0	109.2	I22	S20-I22 PolarHBondContact O-N 3.16Å
21	S	38.2	Very low	35.3	Very low	122 Å²	122	122.5 Å²	122.5	85%	0.853	71%	0.705	S	S	*	*			trans	-81.4	107.5	162.6	58.1	0	0	0	0	108.5	F19	F19-S21 PolarHBondContact O-N 2.96Å
22	I	39.8	Very low	36.4	Very low	111 Å²	111	120.9 Å²	120.9	57%	0.569	69%	0.692	S	S	*	*			trans	-87.2	117.7	172.6	-62.1	173.1	0	0	0	107.4	S20 L24	S20-I22 PolarHBondContact O-N 3.16Å; I22-L24 PolarHBondContact O-N 3.05Å; I22-L24 VanDerWaalsContact O-N 3.09Å
23	A	29.9	Very low	38	Very low	105 Å²	105	115.5 Å²	115.5	87%	0.868	66%	0.657	S	S	*	*			trans	-69.6	100.2	172.9	0	0	0	0	0	109.7
24	L	33.8	Very low	40.4	Very low	57 Å²	57	116 Å²	116	30%	0.298	64%	0.64	S	S	.	*			trans	-78	149.4	171.3	-81.9	154.4	0	0	0	111	I22 F32	I22-L24 PolarHBondContact O-N 3.05Å; I22-L24 VanDerWaalsContact O-N 3.09Å; L24-F32 HydrophobicContact CD1-CE2 4.17Å
25	S	33	Very low	43.2	Very low	78 Å²	78	107 Å²	107	55%	0.545	61%	0.613	S	S	.	*			trans	-57.7	150.7	-173.4	91	0	0	0	0	112.3	Y27 Q28	S25-Y27 PolarHBondContact O-N 3.4Å; S25-Q28 PolarHBondContact O-N 3.34Å
26	T	33.9	Very low	46	Very low	105 Å²	105	102.8 Å²	102.8	64%	0.644	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-4.2	-165.5	-38.7	0	0	0	0	115.1	K29	T26-K29 HydrophobicContact CG2-CD 4.07Å
27	Y	36.7	Very low	48.7	Very low	232 Å²	232	98.8 Å²	98.8	91%	0.91	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-8.7	178.9	-86.9	-85.9	0	0	0	115.4	S25	S25-Y27 PolarHBondContact O-N 3.4Å
28	Q	39.7	Very low	51.7	Low	96 Å²	96	99.9 Å²	99.9	45%	0.449	54%	0.544	S	S	.	.	S	Bend	trans	-106.1	8.5	175.2	-76.7	175.8	-34.7	0	0	113.4	S25 A30	S25-Q28 PolarHBondContact O-N 3.34Å; Q28-A30 PolarHBondContact O-N 2.92Å; Q28-A30 VanDerWaalsContact O-N 3.1Å
29	K	33.9	Very low	54.5	Low	139 Å²	139	98.9 Å²	98.9	60%	0.604	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	87.4	-176.1	-71.1	-179.9	178.1	167.9	0	111.9	T26	T26-K29 HydrophobicContact CG2-CD 4.07Å
30	A	37.4	Very low	57.2	Low	72 Å²	72	92.9 Å²	92.9	60%	0.595	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171.4	-11.4	152.4	0	0	0	0	0	117.7	Q28	Q28-A30 PolarHBondContact O-N 2.92Å; Q28-A30 VanDerWaalsContact O-N 3.1Å
31	W	47	Very low	59.9	Low	134 Å²	134	92.2 Å²	92.2	51%	0.508	49%	0.489	S	S	.	.			trans	-133.7	30.1	-165.2	-53.1	101.4	0	0	0	116.9	T33 Q54	W31-T33 VanDerWaalsContact C-N 3.34Å; W31-T33 PolarHBondContact O-N 3.16Å; W31-Q54 HydrophobicContact CE3-CB 3.89Å; W31-Q54 HydrophobicContact CE3-CG 3.61Å; W31-Q54 HydrophobicContact CH2-CB 4.4Å; W31-Q54 HydrophobicContact CZ3-CB 3.54Å; W31-Q54 HydrophobicContact CZ3-CG 3.78Å
32	F	52.1	Low	62.6	Low	116 Å²	116	86.4 Å²	86.4	51%	0.509	45%	0.448	S	S	.	.			trans	-72.2	98.5	161.3	-80.9	-76.4	0	0	0	109.2	L24 S47	L24-F32 HydrophobicContact CD1-CE2 4.17Å; F32-S47 WeakPolarHBondContact CE1-OG 3.49Å; F32-S47 VanDerWaalsContact CZ-CA 3.41Å; F32-S47 WeakPolarHBondContact CZ-OG 3.47Å
33	T	65.4	Low	65.2	Low	13 Å²	13	83.7 Å²	83.7	8%	0.08	43%	0.434	C	S	.	.			trans	-56.3	158.1	152.7	46.4	0	0	0	0	109.9	W31 C35 L52 Q54 V211 F212 P214	W31-T33 VanDerWaalsContact C-N 3.34Å; W31-T33 PolarHBondContact O-N 3.16Å; T33-C35 PolarHBondContact O-N 3Å; T33-L52 HydrophobicContact CG2-CD2 3.26Å; T33-L52 WeakPolarHBondContact OG1-CD2 3.47Å; T33-Q54 VanDerWaalsContact CG2-NE2 3.35Å; T33-V211 WeakPolarHBondContact OG1-CG1 3.37Å; T33-F212 WeakPolarHBondContact CB-O 3.5Å; T33-F212 HydrophobicContact CG2-CD1 4.13Å; T33-F212 WeakPolarHBondContact CG2-O 3.35Å; T33-F212 PolarHBondContact OG1-O 3.16Å; T33-P214 HydrophobicContact CG2-CG 4.34Å
34	K	86.1	Confident	68.2	Low	113 Å²	113	84.5 Å²	84.5	49%	0.491	42%	0.418	S	S	.	.			trans	-50.7	128.6	175	-61.3	173.3	-171.3	170.8	0	108.7	F212 D249 L250	K34-F212 HydrophobicContact CB-CB 4.25Å; K34-F212 WeakPolarHBondContact O-CB 3.28Å; K34-F212 PolarHBondContact O-N 3.45Å; K34-D249 VanDerWaalsContact CE-OD2 3.31Å; K34-D249 WeakPolarHBondContact CE-OD2 3.17Å; K34-D249 IonicContact NZ-OD2 2.61Å; K34-D249 PolarHBondContact NZ-OD2 3.48Å; K34-L250 HydrophobicContact CB-CB 4.36Å; K34-L250 HydrophobicContact CB-CD1 3.91Å; K34-L250 WeakPolarHBondContact O-CD1 3.02Å
35	C	91.5	Very high	71	Confident	47 Å²	47	82.4 Å²	82.4	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.9	173.8	66	0	0	0	0	110.6	T33 I209 D210 V211	T33-C35 PolarHBondContact O-N 3Å; C35-I209 HydrophobicContact CB-CD1 4.18Å; C35-I209 HydrophobicContact CB-CG1 4.3Å; C35-D210 CarbonylContact C-O 3.56Å; C35-D210 WeakPolarHBondContact CA-O 3.38Å; C35-D210 WeakPolarHBondContact CB-O 3.26Å; C35-V211 HydrophobicContact CB-CG2 4.23Å
36	N	91.5	Very high	73.8	Confident	31 Å²	31	78.9 Å²	78.9	17%	0.166	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.1	179.8	-177.9	45.3	0	0	0	110.6	I209 D210 L250 Y251	N36-I209 CarbonylContact O-C 3.42Å; N36-I209 WeakPolarHBondContact O-CA 3.47Å; N36-D210 PolarHBondContact N-O 2.88Å; N36-D210 PolarHBondContact O-N 3.26Å; N36-L250 HydrophobicContact CB-CD2 3.68Å; N36-Y251 HydrophobicContact CB-CE2 4.41Å; N36-Y251 PolarHBondContact ND2-OH 3.45Å
37	S	92.3	Very high	76.5	Confident	18 Å²	18	74.5 Å²	74.5	13%	0.126	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	150.8	172.9	-174.6	0	0	0	0	110.3	H39 W208	S37-H39 VanDerWaalsContact C-N 3.3Å; S37-H39 PolarHBondContact OG-N 3.26Å; S37-H39 VanDerWaalsContact OG-N 3.13Å; S37-W208 WeakPolarHBondContact CB-O 3.26Å; S37-W208 PolarHBondContact OG-O 2.9Å
38	K	93.3	Very high	79	Confident	163 Å²	163	66.7 Å²	66.7	71%	0.709	33%	0.33	S	S	*	.	S	Bend	trans	-83.9	-4.8	170.5	-63.7	-178.2	-179.9	177.8	0	113
39	H	94.9	Very high	81.3	Confident	57 Å²	57	63 Å²	63	26%	0.264	32%	0.319	S	S	.	.			trans	-119.5	101.3	-169.3	-59.3	-75.2	0	0	0	111.9	S37 N41 L42 I43 P203 S207	S37-H39 VanDerWaalsContact C-N 3.3Å; S37-H39 PolarHBondContact OG-N 3.26Å; S37-H39 VanDerWaalsContact OG-N 3.13Å; H39-N41 VanDerWaalsContact C-N 3.27Å; H39-N41 PolarHBondContact O-N 3.39Å; H39-L42 HydrophobicContact CB-CB 3.94Å; H39-L42 WeakPolarHBondContact O-CB 3.46Å; H39-L42 PolarHBondContact O-N 3.1Å; H39-I43 PolarHBondContact O-N 3.33Å; H39-I43 VanDerWaalsContact O-N 3.08Å; H39-P203 HydrophobicContact CB-CB 4.02Å; H39-P203 HydrophobicContact CB-CG 3.92Å; H39-S207 VanDerWaalsContact CD2-CB 3.43Å; H39-S207 WeakPolarHBondContact CD2-CB 3.19Å; H39-S207 PolarHBondContact CD2-OG 3.27Å; H39-S207 PolarHBondContact CE1-OG 2.78Å; H39-S207 WeakPolarHBondContact NE2-CB 3.41Å; H39-S207 PolarHBondContact NE2-OG 3.15Å
40	P	93.5	Very high	84.1	Confident	62 Å²	62	57.7 Å²	57.7	40%	0.403	30%	0.297	S	S	.	.	H	α-helix	trans	-55.9	-36.7	-179.4	-27.5	35.5	0	0	0	114.3	L42 I43 K44	P40-L42 VanDerWaalsContact C-N 3.34Å; P40-L42 PolarHBondContact O-N 3.34Å; P40-I43 WeakPolarHBondContact O-CB 3.21Å; P40-I43 PolarHBondContact O-N 3.06Å; P40-K44 PolarHBondContact O-N 2.86Å
41	N	93.7	Very high	86.8	Confident	66 Å²	66	56.8 Å²	56.8	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-67.6	-34.1	178.6	-62.8	-15.5	0	0	0	112.8	H39 K44 T45 D201	H39-N41 VanDerWaalsContact C-N 3.27Å; H39-N41 PolarHBondContact O-N 3.39Å; N41-K44 PolarHBondContact O-N 2.73Å; N41-T45 WeakPolarHBondContact O-CB 3.37Å; N41-T45 PolarHBondContact O-N 3.35Å; N41-T45 PolarHBondContact O-OG1 3.5Å; N41-D201 WeakPolarHBondContact CB-O 3.48Å; N41-D201 PolarHBondContact ND2-OD2 2.87Å
42	L	95	Very high	89	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-40.5	174	-174.8	60.2	0	0	0	110.9	H39 P40 K44 T45 V46 V180 L202 P203 I209 L229	H39-L42 HydrophobicContact CB-CB 3.94Å; H39-L42 WeakPolarHBondContact O-CB 3.46Å; H39-L42 PolarHBondContact O-N 3.1Å; P40-L42 VanDerWaalsContact C-N 3.34Å; P40-L42 PolarHBondContact O-N 3.34Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 2.69Å; L42-T45 PolarHBondContact O-N 2.82Å; L42-V46 HydrophobicContact CD1-CG2 4.09Å; L42-V46 HydrophobicContact CG-CG2 4.41Å; L42-V46 WeakPolarHBondContact O-CB 3.38Å; L42-V46 WeakPolarHBondContact O-CG2 3.48Å; L42-V46 PolarHBondContact O-N 3.43Å; L42-V180 HydrophobicContact CD1-CG2 4.35Å; L42-L202 HydrophobicContact CD1-CD2 4.44Å; L42-P203 HydrophobicContact CB-CG 3.92Å; L42-P203 HydrophobicContact CD2-CG 4.36Å; L42-I209 HydrophobicContact CD2-CB 4.1Å; L42-I209 HydrophobicContact CD2-CG2 3.98Å; L42-I209 HydrophobicContact CG-CB 4.3Å; L42-I209 HydrophobicContact CG-CG2 3.94Å; L42-L229 HydrophobicContact CD1-CD1 4.14Å; L42-L229 HydrophobicContact CD1-CD2 3.97Å
43	I	94	Very high	91	Very high	54 Å²	54	49.2 Å²	49.2	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-55	-49.9	171.4	-61.8	171	0	0	0	109.4	H39 P40 T45 V46 S47 I209	H39-I43 PolarHBondContact O-N 3.33Å; H39-I43 VanDerWaalsContact O-N 3.08Å; P40-I43 WeakPolarHBondContact O-CB 3.21Å; P40-I43 PolarHBondContact O-N 3.06Å; I43-T45 PolarHBondContact O-N 3.34Å; I43-V46 PolarHBondContact O-N 2.93Å; I43-S47 WeakPolarHBondContact O-CB 3.4Å; I43-S47 PolarHBondContact O-N 3.07Å; I43-S47 PolarHBondContact O-OG 3.42Å; I43-I209 HydrophobicContact CB-CD1 4.44Å; I43-I209 HydrophobicContact CG1-CD1 3.97Å
44	K	92.5	Very high	92.3	Very high	122 Å²	122	51.4 Å²	51.4	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-46.8	177.9	-175.9	-176.5	177.8	-172.6	0	112.3	P40 N41 L42 S47 N48	P40-K44 PolarHBondContact O-N 2.86Å; N41-K44 PolarHBondContact O-N 2.73Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 2.69Å; K44-S47 PolarHBondContact O-N 3.32Å; K44-N48 VanDerWaalsContact O-CG 3.25Å; K44-N48 PolarHBondContact O-N 2.95Å; K44-N48 VanDerWaalsContact O-N 3.14Å; K44-N48 PolarHBondContact O-ND2 3.11Å
45	T	93	Very high	92.7	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.08	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-49.8	-179.4	-58.5	0	0	0	0	111.6	N41 L42 I43 S47 N48 G49 L200 L202 A224 L225	N41-T45 WeakPolarHBondContact O-CB 3.37Å; N41-T45 PolarHBondContact O-N 3.35Å; N41-T45 PolarHBondContact O-OG1 3.5Å; L42-T45 PolarHBondContact O-N 2.82Å; I43-T45 PolarHBondContact O-N 3.34Å; T45-S47 VanDerWaalsContact C-N 3.3Å; T45-S47 PolarHBondContact O-N 2.79Å; T45-N48 PolarHBondContact O-N 3.02Å; T45-G49 PolarHBondContact O-N 2.84Å; T45-G49 VanDerWaalsContact O-N 3.1Å; T45-L200 HydrophobicContact CG2-CD1 4.22Å; T45-L202 HydrophobicContact CG2-CD2 4.03Å; T45-A224 HydrophobicContact CG2-CB 4.23Å; T45-L225 HydrophobicContact CG2-CD1 4.37Å
46	V	93.4	Very high	92.9	Very high	4 Å²	4	50 Å²	50	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-37.3	177.9	172.2	0	0	0	0	111.2	L42 I43 N48 G49 L50 L178 I209 V211 L225 L229	L42-V46 HydrophobicContact CD1-CG2 4.09Å; L42-V46 HydrophobicContact CG-CG2 4.41Å; L42-V46 WeakPolarHBondContact O-CB 3.38Å; L42-V46 WeakPolarHBondContact O-CG2 3.48Å; L42-V46 PolarHBondContact O-N 3.43Å; I43-V46 PolarHBondContact O-N 2.93Å; V46-N48 PolarHBondContact O-N 3.02Å; V46-G49 PolarHBondContact O-N 3.11Å; V46-L50 HydrophobicContact CG1-CB 3.92Å; V46-L50 HydrophobicContact CG1-CD2 4.09Å; V46-L50 WeakPolarHBondContact O-CB 3.34Å; V46-L50 PolarHBondContact O-N 3.24Å; V46-L178 HydrophobicContact CB-CD1 4.5Å; V46-L178 HydrophobicContact CG1-CD1 3.76Å; V46-L178 HydrophobicContact CG2-CD1 3.88Å; V46-I209 HydrophobicContact CB-CD1 4.36Å; V46-I209 HydrophobicContact CB-CG2 4.25Å; V46-I209 HydrophobicContact CG1-CD1 4.37Å; V46-I209 HydrophobicContact CG1-CG2 4.34Å; V46-I209 HydrophobicContact CG2-CG2 3.65Å; V46-V211 HydrophobicContact CG1-CG2 4.43Å; V46-L225 HydrophobicContact CG1-CD2 4.33Å; V46-L225 HydrophobicContact CG2-CG 4.3Å; V46-L229 HydrophobicContact CG2-CD1 3.82Å
47	S	90.1	Very high	93.2	Very high	13 Å²	13	48.6 Å²	48.6	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-33.8	177	-66.9	0	0	0	0	113.5	F32 I43 K44 T45	F32-S47 WeakPolarHBondContact CE1-OG 3.49Å; F32-S47 VanDerWaalsContact CZ-CA 3.41Å; F32-S47 WeakPolarHBondContact CZ-OG 3.47Å; I43-S47 WeakPolarHBondContact O-CB 3.4Å; I43-S47 PolarHBondContact O-N 3.07Å; I43-S47 PolarHBondContact O-OG 3.42Å; K44-S47 PolarHBondContact O-N 3.32Å; T45-S47 VanDerWaalsContact C-N 3.3Å; T45-S47 PolarHBondContact O-N 2.79Å
48	N	87.9	Confident	93.4	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-84.6	-29.1	-179.9	-68.5	-16.9	0	0	0	112.8	K44 T45 V46	K44-N48 VanDerWaalsContact O-CG 3.25Å; K44-N48 PolarHBondContact O-N 2.95Å; K44-N48 VanDerWaalsContact O-N 3.14Å; K44-N48 PolarHBondContact O-ND2 3.11Å; T45-N48 PolarHBondContact O-N 3.02Å; V46-N48 PolarHBondContact O-N 3.02Å
49	G	89.6	Confident	93.6	Very high	20 Å²	20	50 Å²	50	21%	0.206	26%	0.26	C	S	.	.	H	α-helix	trans	-102.2	-29.2	-173.3	0	0	0	0	0	115.5	T45 V46	T45-G49 PolarHBondContact O-N 2.84Å; T45-G49 VanDerWaalsContact O-N 3.1Å; V46-G49 PolarHBondContact O-N 3.11Å
50	L	92.9	Very high	93.8	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.141	28%	0.282	C	S	.	.			trans	-83.1	122.8	-177.7	-176.3	67.4	0	0	0	109.6	V46 L176 V211 I221 L225	V46-L50 HydrophobicContact CG1-CB 3.92Å; V46-L50 HydrophobicContact CG1-CD2 4.09Å; V46-L50 WeakPolarHBondContact O-CB 3.34Å; V46-L50 PolarHBondContact O-N 3.24Å; L50-L176 HydrophobicContact CD1-CD2 4.43Å; L50-V211 HydrophobicContact CD2-CB 4.46Å; L50-V211 HydrophobicContact CD2-CG1 3.9Å; L50-V211 HydrophobicContact CD2-CG2 4.19Å; L50-I221 HydrophobicContact CD1-CG1 4.31Å; L50-L225 HydrophobicContact CB-CD2 3.53Å; L50-L225 HydrophobicContact CD1-CD2 4.27Å; L50-L225 HydrophobicContact CG-CD2 4.49Å; L50-L225 VanDerWaalsContact N-CD2 3.29Å
51	I	92.9	Very high	94	Very high	52 Å²	52	52.3 Å²	52.3	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122	172.5	-58.4	177	0	0	0	107.9	K53 Y219 I220	I51-K53 HydrophobicContact CG2-CG 4.38Å; I51-Y219 CarbonylContact O-C 3.6Å; I51-Y219 WeakPolarHBondContact O-CA 3.27Å; I51-I220 HydrophobicContact CB-CB 4.08Å; I51-I220 HydrophobicContact CB-CD1 3.94Å; I51-I220 HydrophobicContact CB-CG1 4.11Å; I51-I220 HydrophobicContact CD1-CD1 4.3Å; I51-I220 HydrophobicContact CG2-CD1 3.82Å; I51-I220 HydrophobicContact CG2-CG1 4.31Å; I51-I220 PolarHBondContact N-O 3.48Å; I51-I220 PolarHBondContact O-N 2.87Å
52	L	93.7	Very high	94.2	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.7	175.7	179.7	65.3	0	0	0	110.3	T33 Q54 I213 V218	T33-L52 HydrophobicContact CG2-CD2 3.26Å; T33-L52 WeakPolarHBondContact OG1-CD2 3.47Å; L52-Q54 HydrophobicContact CG-CG 4.48Å; L52-I213 HydrophobicContact CD1-CD1 4.21Å; L52-V218 WeakPolarHBondContact CA-O 3.47Å
53	K	93.3	Very high	94.3	Very high	77 Å²	77	52.5 Å²	52.5	34%	0.335	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	103.2	174.6	-62.4	-174.4	-177	179.8	0	108.6	I51 F56 T113 S217 V218	I51-K53 HydrophobicContact CG2-CG 4.38Å; K53-F56 HydrophobicContact CB-CD2 4.29Å; K53-F56 HydrophobicContact CD-CD2 4.27Å; K53-F56 HydrophobicContact CD-CE2 4.5Å; K53-T113 HydrophobicContact CD-CG2 4.15Å; K53-T113 PolarHBondContact NZ-OG1 3.28Å; K53-S217 CarbonylContact O-C 3.55Å; K53-S217 WeakPolarHBondContact O-CA 3.49Å; K53-S217 WeakPolarHBondContact O-CB 3.49Å; K53-V218 PolarHBondContact N-O 3.49Å; K53-V218 PolarHBondContact O-N 2.65Å
54	Q	92.9	Very high	94.5	Very high	60 Å²	60	51.3 Å²	51.3	28%	0.28	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	159.6	173.3	-51.7	-177.4	31.3	0	0	110.4	W31 T33 L52 F56 P214	W31-Q54 HydrophobicContact CE3-CB 3.89Å; W31-Q54 HydrophobicContact CE3-CG 3.61Å; W31-Q54 HydrophobicContact CH2-CB 4.4Å; W31-Q54 HydrophobicContact CZ3-CB 3.54Å; W31-Q54 HydrophobicContact CZ3-CG 3.78Å; T33-Q54 VanDerWaalsContact CG2-NE2 3.35Å; L52-Q54 HydrophobicContact CG-CG 4.48Å; Q54-F56 PolarHBondContact O-N 3.09Å; Q54-P214 HydrophobicContact CG-CG 3.94Å
55	D	93.8	Very high	94.8	Very high	108 Å²	108	45.6 Å²	45.6	58%	0.578	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	35.9	-179.8	-57.8	-50	0	0	0	113.5	V57 R216	D55-V57 PolarHBondContact O-N 3.4Å; D55-R216 CarbonylContact C-O 3.51Å
56	F	96.3	Very high	95	Very high	23 Å²	23	45.7 Å²	45.7	10%	0.101	25%	0.247	C	C	.	.	S	Bend	trans	-62.6	-33.4	177.5	-175	-94.6	0	0	0	111.5	K53 Q54 V106 R109 L110 L168 R216 V218	K53-F56 HydrophobicContact CB-CD2 4.29Å; K53-F56 HydrophobicContact CD-CD2 4.27Å; K53-F56 HydrophobicContact CD-CE2 4.5Å; Q54-F56 PolarHBondContact O-N 3.09Å; F56-V106 HydrophobicContact CE1-CG1 4.46Å; F56-R109 HydrophobicContact CE1-CB 4.36Å; F56-R109 HydrophobicContact CZ-CB 3.75Å; F56-R109 PolarHBondContact O-NH1 3.42Å; F56-R109 PolarHBondContact O-NH2 3.35Å; F56-R109 VanDerWaalsContact O-NH2 3.13Å; F56-L110 HydrophobicContact CE1-CB 4.33Å; F56-L110 HydrophobicContact CZ-CB 4.43Å; F56-L168 HydrophobicContact CD1-CD1 4.1Å; F56-R216 WeakPolarHBondContact CB-O 3.27Å; F56-R216 PolarHBondContact N-O 3.03Å; F56-V218 HydrophobicContact CB-CB 4.31Å; F56-V218 HydrophobicContact CB-CG2 3.86Å; F56-V218 HydrophobicContact CD1-CB 4.42Å; F56-V218 HydrophobicContact CD1-CG2 3.3Å; F56-V218 HydrophobicContact CD2-CB 4.15Å; F56-V218 HydrophobicContact CD2-CG2 3.84Å; F56-V218 HydrophobicContact CE1-CG2 3.71Å; F56-V218 HydrophobicContact CE2-CG2 4.19Å; F56-V218 HydrophobicContact CG-CB 4.04Å; F56-V218 HydrophobicContact CG-CG2 3.37Å; F56-V218 HydrophobicContact CZ-CG2 4.12Å
57	V	97.4	Very high	95.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.277	C	S	.	.	S	Bend	trans	-117.1	146.5	169.3	-60.2	0	0	0	0	111.1	D55 Q61 E62 V106 L168 L170 R216	D55-V57 PolarHBondContact O-N 3.4Å; V57-Q61 VanDerWaalsContact CA-OE1 3.27Å; V57-Q61 HydrophobicContact CB-CB 3.87Å; V57-Q61 HydrophobicContact CG1-CB 4.4Å; V57-E62 HydrophobicContact CG2-CB 4.17Å; V57-V106 HydrophobicContact CG1-CG1 3.5Å; V57-V106 VanDerWaalsContact CG1-CG1 3.5Å; V57-V106 HydrophobicContact CG1-CG2 4.21Å; V57-L168 HydrophobicContact CG1-CD1 3.95Å; V57-L168 HydrophobicContact CG1-CD2 4.02Å; V57-L168 HydrophobicContact CG2-CD1 4.14Å; V57-L170 HydrophobicContact CG2-CD2 3.93Å; V57-R216 HydrophobicContact CG2-CB 3.54Å; V57-R216 HydrophobicContact CG2-CG 3.73Å; V57-R216 PolarHBondContact N-O 2.88Å; V57-R216 WeakPolarHBondContact O-CB 3.39Å; V57-R216 WeakPolarHBondContact O-CD 3.19Å
58	T	97.7	Very high	95.5	Very high	80 Å²	80	51.2 Å²	51.2	49%	0.491	28%	0.275	S	S	.	.			trans	-76.6	166.6	169.1	67.6	0	0	0	0	110.9	N60 Q61 E62	T58-N60 VanDerWaalsContact C-N 3.25Å; T58-N60 PolarHBondContact O-N 3.07Å; T58-Q61 PolarHBondContact O-N 3.07Å; T58-Q61 VanDerWaalsContact O-N 3.13Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.36Å; T58-Q61 PolarHBondContact OG1-N 3.23Å; T58-E62 PolarHBondContact O-N 2.81Å
59	E	97.8	Very high	95.9	Very high	130 Å²	130	48 Å²	48	61%	0.607	26%	0.258	S	S	*	.	H	α-helix	trans	-58.3	-37.3	174.9	-64.3	-179.4	177.3	0	0	112.7	E62 S63	E59-E62 PolarHBondContact O-N 2.89Å; E59-S63 WeakPolarHBondContact O-CB 3.23Å; E59-S63 PolarHBondContact O-N 2.91Å; E59-S63 PolarHBondContact O-OG 3.39Å
60	N	97.7	Very high	96.2	Very high	133 Å²	133	48.9 Å²	48.9	71%	0.711	26%	0.258	S	S	*	.	H	α-helix	trans	-67.1	-40.4	175.6	-71.2	-16.7	0	0	0	111.8	T58 S63 S64	T58-N60 VanDerWaalsContact C-N 3.25Å; T58-N60 PolarHBondContact O-N 3.07Å; N60-S63 PolarHBondContact O-N 3.06Å; N60-S64 WeakPolarHBondContact O-CB 3.49Å; N60-S64 PolarHBondContact O-N 3.02Å
61	Q	98.1	Very high	96.3	Very high	35 Å²	35	50.2 Å²	50.2	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-42.4	176	-75.3	174	-18.8	0	0	111.5	V57 T58 S64 L65 T102 V106 R109	V57-Q61 VanDerWaalsContact CA-OE1 3.27Å; V57-Q61 HydrophobicContact CB-CB 3.87Å; V57-Q61 HydrophobicContact CG1-CB 4.4Å; T58-Q61 PolarHBondContact O-N 3.07Å; T58-Q61 VanDerWaalsContact O-N 3.13Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.36Å; T58-Q61 PolarHBondContact OG1-N 3.23Å; Q61-S64 PolarHBondContact O-N 3.24Å; Q61-L65 WeakPolarHBondContact O-CG 3.42Å; Q61-L65 PolarHBondContact O-N 2.85Å; Q61-T102 HydrophobicContact CG-CG2 3.89Å; Q61-V106 HydrophobicContact CB-CG2 4.05Å; Q61-V106 HydrophobicContact CG-CG2 3.97Å; Q61-R109 VanDerWaalsContact OE1-NH2 3.12Å
62	E	98.4	Very high	96.4	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-48.6	173.3	176.2	173.9	-134.1	0	0	110.8	V57 T58 E59 S64 L65 I66 L170 L171 R215 R216	V57-E62 HydrophobicContact CG2-CB 4.17Å; T58-E62 PolarHBondContact O-N 2.81Å; E59-E62 PolarHBondContact O-N 2.89Å; E62-S64 VanDerWaalsContact C-N 3.34Å; E62-S64 PolarHBondContact O-N 3.26Å; E62-L65 PolarHBondContact O-N 3.11Å; E62-I66 HydrophobicContact CG-CG1 4.47Å; E62-I66 VanDerWaalsContact O-CG1 3.27Å; E62-I66 WeakPolarHBondContact O-CG1 3.24Å; E62-I66 PolarHBondContact O-N 3.03Å; E62-L170 HydrophobicContact CB-CD2 4.36Å; E62-L170 HydrophobicContact CG-CB 4.44Å; E62-L170 HydrophobicContact CG-CD2 4.05Å; E62-L170 WeakPolarHBondContact OE1-CA 3.5Å; E62-L171 PolarHBondContact OE1-N 3.43Å; E62-R215 IonicContact OE1-CZ 3.14Å; E62-R215 IonicContact OE1-NE 2.66Å; E62-R215 PolarHBondContact OE1-NE 3.16Å; E62-R215 IonicContact OE1-NH2 2.69Å; E62-R215 PolarHBondContact OE1-NH2 2.88Å; E62-R215 IonicContact OE2-CZ 3.54Å; E62-R215 IonicContact OE2-NE 3.4Å; E62-R215 PolarHBondContact OE2-NE 2.66Å; E62-R215 IonicContact OE2-NH2 2.76Å; E62-R215 PolarHBondContact OE2-NH2 2.8Å; E62-R216 HydrophobicContact CB-CG 4.14Å; E62-R216 HydrophobicContact CG-CG 4.35Å; E62-R216 WeakPolarHBondContact OE2-CD 3.21Å; E62-R216 WeakPolarHBondContact OE2-CG 3.27Å; E62-R216 IonicContact OE2-NH1 3.54Å; E62-R216 PolarHBondContact OE2-NH1 3.22Å
63	S	97.9	Very high	96.4	Very high	61 Å²	61	49.5 Å²	49.5	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-41.5	178.5	-59.1	0	0	0	0	112.3	E59 N60 I66 N67	E59-S63 WeakPolarHBondContact O-CB 3.23Å; E59-S63 PolarHBondContact O-N 2.91Å; E59-S63 PolarHBondContact O-OG 3.39Å; N60-S63 PolarHBondContact O-N 3.06Å; S63-I66 PolarHBondContact O-N 3.24Å; S63-N67 WeakPolarHBondContact O-CB 3.49Å; S63-N67 PolarHBondContact O-N 3.3Å; S63-N67 PolarHBondContact O-ND2 3.23Å
64	S	97.6	Very high	96.3	Very high	30 Å²	30	49.6 Å²	49.6	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-41.4	177.9	-169.4	0	0	0	0	112.5	N60 Q61 E62 E68 N103	N60-S64 WeakPolarHBondContact O-CB 3.49Å; N60-S64 PolarHBondContact O-N 3.02Å; Q61-S64 PolarHBondContact O-N 3.24Å; E62-S64 VanDerWaalsContact C-N 3.34Å; E62-S64 PolarHBondContact O-N 3.26Å; S64-E68 PolarHBondContact O-N 3.31Å; S64-N103 WeakPolarHBondContact CB-OD1 3.42Å; S64-N103 PolarHBondContact O-ND2 2.73Å; S64-N103 PolarHBondContact OG-OD1 3.37Å
65	L	97.6	Very high	96.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-49.1	174.5	-78.8	169.6	0	0	0	111	Q61 E62 E68 L69 W98 N103 V106 L168 L170	Q61-L65 WeakPolarHBondContact O-CG 3.42Å; Q61-L65 PolarHBondContact O-N 2.85Å; E62-L65 PolarHBondContact O-N 3.11Å; L65-E68 PolarHBondContact O-N 2.99Å; L65-L69 WeakPolarHBondContact O-CB 3.5Å; L65-L69 VanDerWaalsContact O-CG 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.83Å; L65-W98 HydrophobicContact CD2-CE3 3.89Å; L65-W98 HydrophobicContact CD2-CH2 4.21Å; L65-W98 HydrophobicContact CD2-CZ3 3.52Å; L65-N103 HydrophobicContact CD2-CB 3.79Å; L65-N103 WeakPolarHBondContact CG-OD1 3.13Å; L65-N103 PolarHBondContact N-OD1 2.69Å; L65-N103 VanDerWaalsContact N-OD1 3.16Å; L65-V106 HydrophobicContact CD1-CB 4.47Å; L65-V106 HydrophobicContact CD1-CG1 3.89Å; L65-L168 HydrophobicContact CD1-CD2 3.88Å; L65-L170 HydrophobicContact CB-CD1 4.26Å; L65-L170 HydrophobicContact CD1-CD1 4.12Å; L65-L170 HydrophobicContact CD1-CD2 4.45Å
66	I	97.9	Very high	96.3	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.077	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-43.6	-177.2	-65.8	-62.4	0	0	0	111.5	E62 S63 E68 L69 D70 L170 L171 V259	E62-I66 HydrophobicContact CG-CG1 4.47Å; E62-I66 VanDerWaalsContact O-CG1 3.27Å; E62-I66 WeakPolarHBondContact O-CG1 3.24Å; E62-I66 PolarHBondContact O-N 3.03Å; S63-I66 PolarHBondContact O-N 3.24Å; I66-E68 PolarHBondContact O-N 3.06Å; I66-L69 PolarHBondContact O-N 3.37Å; I66-D70 VanDerWaalsContact O-CB 3.25Å; I66-D70 WeakPolarHBondContact O-CB 3.38Å; I66-D70 PolarHBondContact O-N 3.05Å; I66-L170 HydrophobicContact CD1-CB 4.15Å; I66-L170 HydrophobicContact CD1-CD1 3.98Å; I66-L171 HydrophobicContact CD1-CD1 3.93Å; I66-L171 HydrophobicContact CD1-CD2 3.94Å; I66-L171 HydrophobicContact CD1-CG 3.71Å; I66-L171 HydrophobicContact CG1-CD2 3.74Å; I66-L171 HydrophobicContact CG1-CG 4.09Å; I66-L171 HydrophobicContact CG2-CD2 4.25Å; I66-V259 HydrophobicContact CD1-CB 3.86Å; I66-V259 HydrophobicContact CD1-CG1 4.07Å; I66-V259 HydrophobicContact CD1-CG2 3.99Å
67	N	97.2	Very high	96.2	Very high	121 Å²	121	63.6 Å²	63.6	65%	0.647	33%	0.329	S	S	*	.	H	α-helix	trans	-57.4	-40.8	175.9	-73.4	-18.2	0	0	0	112	S63	S63-N67 WeakPolarHBondContact O-CB 3.49Å; S63-N67 PolarHBondContact O-N 3.3Å; S63-N67 PolarHBondContact O-ND2 3.23Å
68	E	96.8	Very high	96	Very high	13 Å²	13	67.5 Å²	67.5	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-68.7	-45.1	177.7	-161.1	-177	130.7	0	0	112.1	S64 L65 I66 S71 R95 W98 H99 T100 N103	S64-E68 PolarHBondContact O-N 3.31Å; L65-E68 PolarHBondContact O-N 2.99Å; I66-E68 PolarHBondContact O-N 3.06Å; E68-S71 WeakPolarHBondContact O-CB 3.26Å; E68-S71 PolarHBondContact O-OG 3.22Å; E68-R95 IonicContact OE1-CZ 2.69Å; E68-R95 IonicContact OE1-NE 3.16Å; E68-R95 IonicContact OE1-NH1 3.11Å; E68-R95 PolarHBondContact OE1-NH1 3.45Å; E68-R95 VanDerWaalsContact OE1-NH1 3.16Å; E68-R95 IonicContact OE1-NH2 2.92Å; E68-R95 PolarHBondContact OE1-NH2 3.37Å; E68-W98 WeakPolarHBondContact OE1-CA 3.16Å; E68-H99 HydrophobicContact CG-CB 4.2Å; E68-H99 VanDerWaalsContact CG-CD2 3.46Å; E68-H99 WeakPolarHBondContact CG-CD2 3.49Å; E68-H99 IonicContact OE1-CD2 3.34Å; E68-H99 PolarHBondContact OE1-CD2 3.02Å; E68-H99 IonicContact OE1-CG 3.6Å; E68-H99 PolarHBondContact OE1-N 3.42Å; E68-H99 PolarHBondContact OE2-N 2.91Å; E68-T100 PolarHBondContact OE2-N 2.89Å; E68-N103 PolarHBondContact OE2-ND2 3.29Å
69	L	96.9	Very high	95.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69.4	-40.4	-178.3	-68.2	174.6	0	0	0	112.2	L65 I66 S71 V72 L73 W98 V142 V259 V261	L65-L69 WeakPolarHBondContact O-CB 3.5Å; L65-L69 VanDerWaalsContact O-CG 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.83Å; I66-L69 PolarHBondContact O-N 3.37Å; L69-S71 PolarHBondContact O-N 3.43Å; L69-V72 PolarHBondContact O-N 3.16Å; L69-L73 HydrophobicContact CB-CD1 3.76Å; L69-L73 HydrophobicContact CB-CG 4.45Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.97Å; L69-W98 HydrophobicContact CD1-CZ3 4.42Å; L69-W98 HydrophobicContact CD2-CH2 3.91Å; L69-W98 HydrophobicContact CD2-CZ3 3.73Å; L69-W98 HydrophobicContact CG-CZ3 4.11Å; L69-V142 HydrophobicContact CD1-CG1 3.93Å; L69-V142 HydrophobicContact CD2-CB 4.48Å; L69-V142 HydrophobicContact CD2-CG1 4.02Å; L69-V142 HydrophobicContact CD2-CG2 3.91Å; L69-V259 HydrophobicContact CD1-CG1 3.96Å; L69-V261 HydrophobicContact CD1-CG2 4.2Å
70	D	96.4	Very high	94.8	Very high	38 Å²	38	66.2 Å²	66.2	20%	0.203	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-24.4	-178.1	-79.2	4.6	0	0	0	112.7	I66 V72 C74 R257	I66-D70 VanDerWaalsContact O-CB 3.25Å; I66-D70 WeakPolarHBondContact O-CB 3.38Å; I66-D70 PolarHBondContact O-N 3.05Å; D70-V72 PolarHBondContact O-N 3.24Å; D70-V72 VanDerWaalsContact O-N 3.07Å; D70-C74 WeakPolarHBondContact O-CB 3.46Å; D70-C74 PolarHBondContact O-N 3.31Å; D70-C74 VanDerWaalsContact O-N 3.16Å; D70-R257 IonicContact OD1-CZ 3.57Å; D70-R257 IonicContact OD1-NH1 3.46Å; D70-R257 PolarHBondContact OD1-NH1 3.44Å; D70-R257 IonicContact OD1-NH2 2.86Å; D70-R257 PolarHBondContact OD1-NH2 3.02Å; D70-R257 IonicContact OD2-CZ 2.65Å; D70-R257 IonicContact OD2-NH1 3.66Å; D70-R257 PolarHBondContact OD2-NH1 2.96Å; D70-R257 IonicContact OD2-NH2 3.19Å
71	S	94.3	Very high	93.6	Very high	55 Å²	55	66.7 Å²	66.7	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-22.2	172	77.7	0	0	0	0	113.7	E68 L69 K75	E68-S71 WeakPolarHBondContact O-CB 3.26Å; E68-S71 PolarHBondContact O-OG 3.22Å; L69-S71 PolarHBondContact O-N 3.43Å; S71-K75 WeakPolarHBondContact O-CE 3.27Å; S71-K75 PolarHBondContact O-NZ 3.48Å
72	V	94	Very high	92	Very high	51 Å²	51	66.4 Å²	66.4	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-115.8	-48	178.3	-177.1	0	0	0	0	111.4	L69 D70 C74 K75 L93	L69-V72 PolarHBondContact O-N 3.16Å; D70-V72 PolarHBondContact O-N 3.24Å; D70-V72 VanDerWaalsContact O-N 3.07Å; V72-C74 VanDerWaalsContact C-N 3.31Å; V72-C74 PolarHBondContact O-N 3.37Å; V72-K75 WeakPolarHBondContact O-CB 3.35Å; V72-K75 PolarHBondContact O-N 2.92Å; V72-K75 VanDerWaalsContact O-N 3.09Å; V72-L93 HydrophobicContact CB-CD2 4.02Å; V72-L93 HydrophobicContact CG1-CD2 3.81Å
73	L	94.4	Very high	90.4	Very high	0 Å²	0	76 Å²	76	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-57.1	-43.8	-177.3	-72.7	172.4	0	0	0	111.2	L69 K75 R76 R91 L93 V142 D144	L69-L73 HydrophobicContact CB-CD1 3.76Å; L69-L73 HydrophobicContact CB-CG 4.45Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.97Å; L73-K75 PolarHBondContact O-N 3.42Å; L73-K75 VanDerWaalsContact O-N 3.08Å; L73-R76 PolarHBondContact O-N 2.82Å; L73-R91 VanDerWaalsContact C-CZ 3.41Å; L73-R91 HydrophobicContact CD2-CG 4.19Å; L73-R91 VanDerWaalsContact O-CD 3.31Å; L73-R91 WeakPolarHBondContact O-CD 3.43Å; L73-R91 PolarHBondContact O-NE 3.26Å; L73-R91 PolarHBondContact O-NH1 2.65Å; L73-L93 HydrophobicContact CD2-CD2 3.53Å; L73-L93 HydrophobicContact CD2-CG 3.92Å; L73-L93 HydrophobicContact CG-CD2 3.73Å; L73-V142 HydrophobicContact CD1-CG1 4.28Å; L73-D144 HydrophobicContact CD1-CB 3.97Å; L73-D144 HydrophobicContact CD2-CB 4.03Å
74	C	92.2	Very high	89.1	Confident	78 Å²	78	76.4 Å²	76.4	53%	0.527	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19	-179.2	-68.5	0	0	0	0	114.5	D70 V72 R91	D70-C74 WeakPolarHBondContact O-CB 3.46Å; D70-C74 PolarHBondContact O-N 3.31Å; D70-C74 VanDerWaalsContact O-N 3.16Å; V72-C74 VanDerWaalsContact C-N 3.31Å; V72-C74 PolarHBondContact O-N 3.37Å; C74-R91 VanDerWaalsContact CA-NH1 3.33Å
75	K	93.7	Very high	88.1	Confident	175 Å²	175	82 Å²	82	76%	0.761	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.6	174.9	-61.4	170.5	179.5	153.7	0	112.7	S71 V72 L73	S71-K75 WeakPolarHBondContact O-CE 3.27Å; S71-K75 PolarHBondContact O-NZ 3.48Å; V72-K75 WeakPolarHBondContact O-CB 3.35Å; V72-K75 PolarHBondContact O-N 2.92Å; V72-K75 VanDerWaalsContact O-N 3.09Å; L73-K75 PolarHBondContact O-N 3.42Å; L73-K75 VanDerWaalsContact O-N 3.08Å
76	R	92.5	Very high	87.5	Confident	119 Å²	119	82.4 Å²	82.4	45%	0.449	39%	0.389	S	S	.	.	S	Bend	trans	-92.2	134.3	177.2	-60.1	-174.4	-177.4	-153.1	-4.7	109.7	L73 R91 E92	L73-R76 PolarHBondContact O-N 2.82Å; R76-R91 HydrophobicContact CB-CB 4.31Å; R76-R91 WeakPolarHBondContact O-CD 3.42Å; R76-R91 PolarHBondContact O-NH1 3.4Å; R76-E92 WeakPolarHBondContact CD-O 3.44Å; R76-E92 PolarHBondContact NH1-O 2.9Å
77	K	93.4	Very high	87.1	Confident	191 Å²	191	82.5 Å²	82.5	83%	0.83	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-72.5	147.1	170.5	-65.6	-176.8	179.9	-179.6	0	109.4	Q79	K77-Q79 PolarHBondContact O-N 2.89Å
78	Y	93.6	Very high	86.9	Confident	83 Å²	83	80.6 Å²	80.6	33%	0.325	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-62.6	133.4	167.1	-73.9	-77	0	0	0	109.7	N89 F90 R91 D144 A146	Y78-N89 WeakPolarHBondContact CD1-O 3.45Å; Y78-F90 CarbonylContact C-O 3.58Å; Y78-F90 WeakPolarHBondContact CA-O 3.44Å; Y78-R91 HydrophobicContact CD1-CB 4.37Å; Y78-R91 HydrophobicContact CD1-CG 4.15Å; Y78-R91 HydrophobicContact CE1-CG 3.99Å; Y78-D144 PolarHBondContact OH-OD1 2.95Å; Y78-A146 HydrophobicContact CD1-CB 4.05Å; Y78-A146 HydrophobicContact CE1-CB 3.78Å; Y78-A146 HydrophobicContact CE2-CB 4.4Å; Y78-A146 HydrophobicContact CG-CB 4.49Å
79	Q	89.7	Confident	86.8	Confident	86 Å²	86	81.9 Å²	81.9	40%	0.402	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-89.6	135.3	172.6	-57.2	-176.3	47.9	0	0	108.4	K77 N89 F90	K77-Q79 PolarHBondContact O-N 2.89Å; Q79-N89 WeakPolarHBondContact O-CA 3.35Å; Q79-N89 PolarHBondContact O-N 2.85Å; Q79-N89 VanDerWaalsContact O-N 3.13Å; Q79-F90 HydrophobicContact CB-CD1 4.42Å; Q79-F90 HydrophobicContact CB-CE1 3.94Å; Q79-F90 HydrophobicContact CB-CZ 4.12Å; Q79-F90 PolarHBondContact N-O 3.45Å; Q79-F90 PolarHBondContact O-N 3.13Å; Q79-F90 VanDerWaalsContact O-N 3.12Å
80	T	80	Confident	86.7	Confident	98 Å²	98	81.9 Å²	81.9	60%	0.601	38%	0.382	S	S	*	.	S	Bend	trans	-88.6	-17.6	-178.9	52.1	0	0	0	0	112.7
81	K	72.5	Confident	86.7	Confident	143 Å²	143	81 Å²	81	62%	0.622	38%	0.376	S	S	*	.			trans	-146.6	133.8	178.3	-62.3	-176	179.2	-178.4	0	110.3	Y85	K81-Y85 HydrophobicContact CD-CE1 4.23Å
82	H	65.4	Low	86.7	Confident	29 Å²	29	80.7 Å²	80.7	13%	0.134	37%	0.368	C	S	.	.			trans	-90.3	162.1	165.9	-171.6	-109.1	0	0	0	110.1	D84 Y85 I87 F90	H82-D84 VanDerWaalsContact C-N 3.3Å; H82-D84 IonicContact CE1-OD1 3.68Å; H82-D84 IonicContact CE1-OD2 3.68Å; H82-D84 PolarHBondContact CE1-OD2 2.96Å; H82-D84 IonicContact CG-OD1 3.46Å; H82-D84 IonicContact ND1-OD1 3.69Å; H82-D84 PolarHBondContact ND1-OD1 3.21Å; H82-D84 IonicContact ND1-OD2 3.34Å; H82-D84 PolarHBondContact ND1-OD2 2.9Å; H82-D84 PolarHBondContact O-N 3.13Å; H82-Y85 PolarHBondContact O-N 3.09Å; H82-I87 HydrophobicContact CB-CB 4.43Å; H82-I87 PolarHBondContact N-O 3.25Å; H82-F90 HydrophobicContact CB-CE1 3.73Å; H82-F90 HydrophobicContact CB-CZ 3.63Å; H82-F90 AromaticContact CD2-CZ 3.63Å; H82-F90 AromaticContact CG-CZ 3.96Å
83	W	64.6	Low	86.7	Confident	208 Å²	208	78.7 Å²	78.7	79%	0.788	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.7	-173.9	65.5	-91.4	0	0	0	113.8
84	D	70.3	Confident	86.8	Confident	70 Å²	70	84.6 Å²	84.6	37%	0.374	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	6	173.4	65.1	14	0	0	0	113.1	H82 A86	H82-D84 VanDerWaalsContact C-N 3.3Å; H82-D84 IonicContact CE1-OD1 3.68Å; H82-D84 IonicContact CE1-OD2 3.68Å; H82-D84 PolarHBondContact CE1-OD2 2.96Å; H82-D84 IonicContact CG-OD1 3.46Å; H82-D84 IonicContact ND1-OD1 3.69Å; H82-D84 PolarHBondContact ND1-OD1 3.21Å; H82-D84 IonicContact ND1-OD2 3.34Å; H82-D84 PolarHBondContact ND1-OD2 2.9Å; H82-D84 PolarHBondContact O-N 3.13Å; D84-A86 PolarHBondContact O-N 2.82Å; D84-A86 WeakPolarHBondContact OD1-CB 3.37Å; D84-A86 PolarHBondContact OD1-N 2.65Å
85	Y	76.4	Confident	86.9	Confident	148 Å²	148	82.1 Å²	82.1	58%	0.58	36%	0.363	S	S	*	.	S	Bend	trans	62.9	-5.4	-173.8	-59.1	-89.2	0	0	0	116.3	K81 H82 I87 M152	K81-Y85 HydrophobicContact CD-CE1 4.23Å; H82-Y85 PolarHBondContact O-N 3.09Å; Y85-I87 PolarHBondContact O-N 3.33Å; Y85-I87 VanDerWaalsContact O-N 3.07Å; Y85-M152 WeakPolarHBondContact O-CE 3.24Å
86	A	84.9	Confident	86.9	Confident	10 Å²	10	81 Å²	81	8%	0.083	36%	0.358	C	S	.	.			trans	-63.1	-22.9	-169.8	0	0	0	0	0	114.7	D84 I151 M152 H154	D84-A86 PolarHBondContact O-N 2.82Å; D84-A86 WeakPolarHBondContact OD1-CB 3.37Å; D84-A86 PolarHBondContact OD1-N 2.65Å; A86-I151 CarbonylContact O-C 3.57Å; A86-I151 WeakPolarHBondContact O-CA 3.38Å; A86-M152 PolarHBondContact O-N 3.08Å; A86-H154 HydrophobicContact CB-CB 4.33Å
87	I	90.4	Very high	86.8	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.082	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.7	-175.8	-44.2	178	0	0	0	111.2	H82 Y85 F90 L143 L145 E150 I151	H82-I87 HydrophobicContact CB-CB 4.43Å; H82-I87 PolarHBondContact N-O 3.25Å; Y85-I87 PolarHBondContact O-N 3.33Å; Y85-I87 VanDerWaalsContact O-N 3.07Å; I87-F90 HydrophobicContact CB-CD1 3.73Å; I87-F90 HydrophobicContact CB-CE1 3.98Å; I87-F90 HydrophobicContact CB-CG 4.04Å; I87-F90 HydrophobicContact CB-CZ 4.48Å; I87-F90 HydrophobicContact CG2-CB 3.53Å; I87-F90 HydrophobicContact CG2-CD1 3.42Å; I87-F90 VanDerWaalsContact CG2-CD1 3.42Å; I87-F90 HydrophobicContact CG2-CD2 4.09Å; I87-F90 HydrophobicContact CG2-CE1 4.18Å; I87-F90 HydrophobicContact CG2-CG 3.38Å; I87-F90 WeakPolarHBondContact O-CE1 3.36Å; I87-L143 HydrophobicContact CD1-CD1 4.11Å; I87-L143 HydrophobicContact CD1-CD2 4.02Å; I87-L143 HydrophobicContact CG2-CD1 4.43Å; I87-L145 HydrophobicContact CG2-CD1 4.08Å; I87-E150 WeakPolarHBondContact CA-O 3.48Å; I87-I151 HydrophobicContact CG1-CG2 4.41Å; I87-I151 HydrophobicContact CG2-CG1 4.21Å
88	K	92.2	Very high	86.8	Confident	81 Å²	81	70.5 Å²	70.5	35%	0.352	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.8	175.2	-59.1	-177.5	-169.3	152.5	0	111.9	F90 G149 E150	K88-F90 PolarHBondContact O-N 2.77Å; K88-G149 WeakPolarHBondContact O-CA 3.45Å; K88-E150 HydrophobicContact CB-CG 4.02Å; K88-E150 HydrophobicContact CD-CG 4.08Å; K88-E150 VanDerWaalsContact CD-OE1 3.27Å; K88-E150 WeakPolarHBondContact CD-OE1 3.35Å; K88-E150 VanDerWaalsContact CE-OE1 3.27Å; K88-E150 WeakPolarHBondContact CE-OE1 3.49Å; K88-E150 HydrophobicContact CG-CG 4.21Å; K88-E150 PolarHBondContact N-O 3.16Å; K88-E150 IonicContact NZ-OE1 2.7Å; K88-E150 PolarHBondContact NZ-OE1 3.35Å; K88-E150 PolarHBondContact O-N 2.84Å; K88-E150 VanDerWaalsContact O-N 3.16Å
89	N	94.1	Very high	86.7	Confident	41 Å²	41	73 Å²	73	22%	0.219	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	47.3	59.2	179.5	-58	-38.5	0	0	0	112.8	Y78 Q79 A146 N148	Y78-N89 WeakPolarHBondContact CD1-O 3.45Å; Q79-N89 WeakPolarHBondContact O-CA 3.35Å; Q79-N89 PolarHBondContact O-N 2.85Å; Q79-N89 VanDerWaalsContact O-N 3.13Å; N89-A146 HydrophobicContact CB-CB 4.07Å; N89-A146 VanDerWaalsContact O-CB 3.28Å; N89-A146 WeakPolarHBondContact O-CB 3.45Å; N89-A146 PolarHBondContact O-N 3.03Å; N89-N148 PolarHBondContact ND2-ND2 3.41Å; N89-N148 PolarHBondContact ND2-O 3.27Å
90	F	95.5	Very high	86.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.6	-176.7	74.4	-73.9	0	0	0	111	Y78 Q79 H82 I87 K88 E92 L143 D144 L145	Y78-F90 CarbonylContact C-O 3.58Å; Y78-F90 WeakPolarHBondContact CA-O 3.44Å; Q79-F90 HydrophobicContact CB-CD1 4.42Å; Q79-F90 HydrophobicContact CB-CE1 3.94Å; Q79-F90 HydrophobicContact CB-CZ 4.12Å; Q79-F90 PolarHBondContact N-O 3.45Å; Q79-F90 PolarHBondContact O-N 3.13Å; Q79-F90 VanDerWaalsContact O-N 3.12Å; H82-F90 HydrophobicContact CB-CE1 3.73Å; H82-F90 HydrophobicContact CB-CZ 3.63Å; H82-F90 AromaticContact CD2-CZ 3.63Å; H82-F90 AromaticContact CG-CZ 3.96Å; I87-F90 HydrophobicContact CB-CD1 3.73Å; I87-F90 HydrophobicContact CB-CE1 3.98Å; I87-F90 HydrophobicContact CB-CG 4.04Å; I87-F90 HydrophobicContact CB-CZ 4.48Å; I87-F90 HydrophobicContact CG2-CB 3.53Å; I87-F90 HydrophobicContact CG2-CD1 3.42Å; I87-F90 VanDerWaalsContact CG2-CD1 3.42Å; I87-F90 HydrophobicContact CG2-CD2 4.09Å; I87-F90 HydrophobicContact CG2-CE1 4.18Å; I87-F90 HydrophobicContact CG2-CG 3.38Å; I87-F90 WeakPolarHBondContact O-CE1 3.36Å; K88-F90 PolarHBondContact O-N 2.77Å; F90-E92 HydrophobicContact CD2-CB 4.31Å; F90-E92 HydrophobicContact CE2-CB 4.34Å; F90-E92 HydrophobicContact CE2-CG 4.15Å; F90-L143 HydrophobicContact CB-CD1 3.88Å; F90-L143 HydrophobicContact CD2-CD1 3.5Å; F90-L143 HydrophobicContact CE2-CD1 4.46Å; F90-L143 HydrophobicContact CG-CD1 4.03Å; F90-D144 CarbonylContact C-O 3.54Å; F90-D144 VanDerWaalsContact CA-O 3.25Å; F90-D144 WeakPolarHBondContact CA-O 3.21Å; F90-L145 HydrophobicContact CB-CD1 4.05Å
91	R	95.7	Very high	87.6	Confident	19 Å²	19	72.1 Å²	72.1	7%	0.072	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.2	162.1	60.6	-170.5	-179.9	-173.1	-0.1	107.3	L73 C74 R76 Y78 D144	L73-R91 VanDerWaalsContact C-CZ 3.41Å; L73-R91 HydrophobicContact CD2-CG 4.19Å; L73-R91 VanDerWaalsContact O-CD 3.31Å; L73-R91 WeakPolarHBondContact O-CD 3.43Å; L73-R91 PolarHBondContact O-NE 3.26Å; L73-R91 PolarHBondContact O-NH1 2.65Å; C74-R91 VanDerWaalsContact CA-NH1 3.33Å; R76-R91 HydrophobicContact CB-CB 4.31Å; R76-R91 WeakPolarHBondContact O-CD 3.42Å; R76-R91 PolarHBondContact O-NH1 3.4Å; Y78-R91 HydrophobicContact CD1-CB 4.37Å; Y78-R91 HydrophobicContact CD1-CG 4.15Å; Y78-R91 HydrophobicContact CE1-CG 3.99Å; R91-D144 HydrophobicContact CG-CB 3.73Å; R91-D144 IonicContact CZ-OD2 3.95Å; R91-D144 PolarHBondContact N-O 3.08Å; R91-D144 IonicContact NE-OD2 3.81Å; R91-D144 PolarHBondContact NE-OD2 2.86Å; R91-D144 IonicContact NH2-OD2 3.81Å; R91-D144 PolarHBondContact NH2-OD2 3.18Å; R91-D144 WeakPolarHBondContact O-CA 3.34Å; R91-D144 WeakPolarHBondContact O-CB 3.32Å; R91-D144 PolarHBondContact O-N 2.83Å
92	E	95.2	Very high	88.6	Confident	48 Å²	48	68.3 Å²	68.3	22%	0.224	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163	-173.6	68.2	-166.1	165.1	0	0	110.3	R76 F90 H141 V142 L143	R76-E92 WeakPolarHBondContact CD-O 3.44Å; R76-E92 PolarHBondContact NH1-O 2.9Å; F90-E92 HydrophobicContact CD2-CB 4.31Å; F90-E92 HydrophobicContact CE2-CB 4.34Å; F90-E92 HydrophobicContact CE2-CG 4.15Å; E92-H141 IonicContact OE2-NE2 3.44Å; E92-V142 CarbonylContact C-O 3.56Å; E92-V142 WeakPolarHBondContact CA-O 3.44Å; E92-L143 HydrophobicContact CB-CD1 4.24Å
93	L	94.8	Very high	90.1	Very high	9 Å²	9	67 Å²	67	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	166.2	166.8	60.6	81.2	0	0	0	109.8	V72 L73 R95 V142	V72-L93 HydrophobicContact CB-CD2 4.02Å; V72-L93 HydrophobicContact CG1-CD2 3.81Å; L73-L93 HydrophobicContact CD2-CD2 3.53Å; L73-L93 HydrophobicContact CD2-CG 3.92Å; L73-L93 HydrophobicContact CG-CD2 3.73Å; L93-R95 HydrophobicContact CD1-CG 3.3Å; L93-V142 HydrophobicContact CD1-CB 3.65Å; L93-V142 HydrophobicContact CD1-CG1 4.42Å; L93-V142 HydrophobicContact CD1-CG2 3.76Å; L93-V142 HydrophobicContact CG-CB 4.01Å; L93-V142 HydrophobicContact CG-CG1 4.49Å; L93-V142 PolarHBondContact N-O 2.8Å; L93-V142 PolarHBondContact O-N 2.96Å
94	E	95.8	Very high	91.6	Very high	125 Å²	125	59.5 Å²	59.5	58%	0.584	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.8	172.8	-70.7	-171.9	148.3	0	0	109.4	L139 I140	E94-L139 HydrophobicContact CB-CB 4.16Å; E94-L139 HydrophobicContact CB-CD1 4.25Å; E94-L139 VanDerWaalsContact OE2-CD1 3.23Å; E94-L139 WeakPolarHBondContact OE2-CD1 3.36Å; E94-I140 WeakPolarHBondContact CA-O 3.25Å
95	R	94.3	Very high	92.8	Very high	25 Å²	25	60.9 Å²	60.9	9%	0.094	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.5	177.6	-61.5	-164.7	65	144.5	1.9	112.1	E68 L93 S97 W98 H99 I140	E68-R95 IonicContact OE1-CZ 2.69Å; E68-R95 IonicContact OE1-NE 3.16Å; E68-R95 IonicContact OE1-NH1 3.11Å; E68-R95 PolarHBondContact OE1-NH1 3.45Å; E68-R95 VanDerWaalsContact OE1-NH1 3.16Å; E68-R95 IonicContact OE1-NH2 2.92Å; E68-R95 PolarHBondContact OE1-NH2 3.37Å; L93-R95 HydrophobicContact CD1-CG 3.3Å; R95-S97 PolarHBondContact NE-O 3.12Å; R95-S97 VanDerWaalsContact NE-O 3.16Å; R95-S97 PolarHBondContact NH2-O 3.13Å; R95-W98 HydrophobicContact CB-CZ2 4.4Å; R95-H99 PolarHBondContact NH2-CD2 2.85Å; R95-H99 PolarHBondContact NH2-NE2 2.88Å; R95-I140 PolarHBondContact N-O 2.92Å; R95-I140 PolarHBondContact O-N 3.06Å
96	K	92.8	Very high	93.7	Very high	151 Å²	151	53.9 Å²	53.9	66%	0.657	28%	0.276	S	S	*	.	S	Bend	trans	-89.5	-41.5	167.2	-168.1	172.5	178.3	177.5	0	112.5	L139	K96-L139 HydrophobicContact CB-CD2 3.78Å; K96-L139 HydrophobicContact CG-CD2 4.46Å
97	S	90.9	Very high	94.2	Very high	74 Å²	74	53.5 Å²	53.5	52%	0.517	27%	0.272	S	S	.	.			trans	-124.1	147.5	-170.6	57.1	0	0	0	0	112.5	R95	R95-S97 PolarHBondContact NE-O 3.12Å; R95-S97 VanDerWaalsContact NE-O 3.16Å; R95-S97 PolarHBondContact NH2-O 3.13Å
98	W	94	Very high	94.4	Very high	16 Å²	16	55.7 Å²	55.7	6%	0.061	28%	0.284	C	S	.	.			trans	-116.7	137.7	-179.4	-60.4	84.2	0	0	0	109.9	L65 E68 L69 R95 N103 Q104 V107 I140 V142 V261	L65-W98 HydrophobicContact CD2-CE3 3.89Å; L65-W98 HydrophobicContact CD2-CH2 4.21Å; L65-W98 HydrophobicContact CD2-CZ3 3.52Å; E68-W98 WeakPolarHBondContact OE1-CA 3.16Å; L69-W98 HydrophobicContact CD1-CZ3 4.42Å; L69-W98 HydrophobicContact CD2-CH2 3.91Å; L69-W98 HydrophobicContact CD2-CZ3 3.73Å; L69-W98 HydrophobicContact CG-CZ3 4.11Å; R95-W98 HydrophobicContact CB-CZ2 4.4Å; W98-N103 HydrophobicContact CB-CB 4.09Å; W98-N103 HydrophobicContact CE3-CB 4.07Å; W98-Q104 HydrophobicContact CB-CB 4.33Å; W98-V107 HydrophobicContact CD2-CG2 3.63Å; W98-V107 HydrophobicContact CE3-CG2 4.32Å; W98-V107 HydrophobicContact CG-CG2 3.91Å; W98-V107 HydrophobicContact CH2-CG2 4.24Å; W98-V107 HydrophobicContact CZ2-CG2 3.58Å; W98-V107 VanDerWaalsContact NE1-CG2 3.3Å; W98-I140 HydrophobicContact CZ2-CB 4.33Å; W98-I140 HydrophobicContact CZ2-CG2 4.08Å; W98-V142 HydrophobicContact CH2-CG2 4.2Å; W98-V261 HydrophobicContact CH2-CG1 3.99Å; W98-V261 HydrophobicContact CH2-CG2 4.32Å; W98-V261 HydrophobicContact CZ2-CG1 4.02Å
99	H	91.9	Very high	94.5	Very high	137 Å²	137	56.4 Å²	56.4	63%	0.634	29%	0.285	S	S	*	.	S	Bend	trans	-76.2	-37.7	-168.7	-63	-50.3	0	0	0	112.8	E68 R95	E68-H99 HydrophobicContact CG-CB 4.2Å; E68-H99 VanDerWaalsContact CG-CD2 3.46Å; E68-H99 WeakPolarHBondContact CG-CD2 3.49Å; E68-H99 IonicContact OE1-CD2 3.34Å; E68-H99 PolarHBondContact OE1-CD2 3.02Å; E68-H99 IonicContact OE1-CG 3.6Å; E68-H99 PolarHBondContact OE1-N 3.42Å; E68-H99 PolarHBondContact OE2-N 2.91Å; R95-H99 PolarHBondContact NH2-CD2 2.85Å; R95-H99 PolarHBondContact NH2-NE2 2.88Å
100	T	92.9	Very high	94.5	Very high	51 Å²	51	54.5 Å²	54.5	31%	0.313	27%	0.274	S	S	.	.	S	Bend	trans	-97.1	143.3	-179.4	74.4	0	0	0	0	111	E68 T102 N103 Q104	E68-T100 PolarHBondContact OE2-N 2.89Å; T100-T102 PolarHBondContact O-N 2.94Å; T100-N103 PolarHBondContact O-N 2.96Å; T100-N103 VanDerWaalsContact O-N 3.11Å; T100-N103 VanDerWaalsContact OG1-CB 3.27Å; T100-N103 WeakPolarHBondContact OG1-CB 3.43Å; T100-N103 PolarHBondContact OG1-N 2.77Å; T100-N103 PolarHBondContact OG1-ND2 3.16Å; T100-N103 VanDerWaalsContact OG1-ND2 3.11Å; T100-Q104 PolarHBondContact O-N 3.47Å
101	T	94	Very high	94.5	Very high	113 Å²	113	55.3 Å²	55.3	69%	0.693	28%	0.278	S	S	*	.	H	α-helix	trans	-55.5	-37.2	172.1	-49.9	0	0	0	0	111.2	Q104 L105	T101-Q104 PolarHBondContact O-N 2.7Å; T101-L105 HydrophobicContact CG2-CD1 4.27Å; T101-L105 HydrophobicContact CG2-CG 4.46Å; T101-L105 WeakPolarHBondContact O-CB 3.47Å; T101-L105 VanDerWaalsContact O-CG 3.27Å; T101-L105 WeakPolarHBondContact O-CG 3.23Å; T101-L105 PolarHBondContact O-N 3.48Å
102	T	94.9	Very high	94.3	Very high	64 Å²	64	56.2 Å²	56.2	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-49.6	175.5	-55.9	0	0	0	0	111.9	Q61 T100 L105 V106	Q61-T102 HydrophobicContact CG-CG2 3.89Å; T100-T102 PolarHBondContact O-N 2.94Å; T102-L105 PolarHBondContact O-N 2.87Å; T102-V106 WeakPolarHBondContact O-CG2 3.27Å; T102-V106 PolarHBondContact O-N 3.44Å; T102-V106 VanDerWaalsContact O-N 3.11Å
103	N	97	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69	-38.9	-179.3	-68.7	-16.9	0	0	0	111.5	S64 L65 E68 W98 T100 L105 V106 V107	S64-N103 WeakPolarHBondContact CB-OD1 3.42Å; S64-N103 PolarHBondContact O-ND2 2.73Å; S64-N103 PolarHBondContact OG-OD1 3.37Å; L65-N103 HydrophobicContact CD2-CB 3.79Å; L65-N103 WeakPolarHBondContact CG-OD1 3.13Å; L65-N103 PolarHBondContact N-OD1 2.69Å; L65-N103 VanDerWaalsContact N-OD1 3.16Å; E68-N103 PolarHBondContact OE2-ND2 3.29Å; W98-N103 HydrophobicContact CB-CB 4.09Å; W98-N103 HydrophobicContact CE3-CB 4.07Å; T100-N103 PolarHBondContact O-N 2.96Å; T100-N103 VanDerWaalsContact O-N 3.11Å; T100-N103 VanDerWaalsContact OG1-CB 3.27Å; T100-N103 WeakPolarHBondContact OG1-CB 3.43Å; T100-N103 PolarHBondContact OG1-N 2.77Å; T100-N103 PolarHBondContact OG1-ND2 3.16Å; T100-N103 VanDerWaalsContact OG1-ND2 3.11Å; N103-L105 PolarHBondContact O-N 2.85Å; N103-V106 PolarHBondContact O-N 2.84Å; N103-V107 VanDerWaalsContact O-CG2 3.27Å; N103-V107 WeakPolarHBondContact O-CG2 3.49Å; N103-V107 PolarHBondContact O-N 2.92Å
104	Q	95.4	Very high	94	Very high	52 Å²	52	54.1 Å²	54.1	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-47.6	174.5	-170.2	60	56.7	0	0	111.2	W98 T100 T101 V106 V107 D108	W98-Q104 HydrophobicContact CB-CB 4.33Å; T100-Q104 PolarHBondContact O-N 3.47Å; T101-Q104 PolarHBondContact O-N 2.7Å; Q104-V106 VanDerWaalsContact C-N 3.3Å; Q104-V106 PolarHBondContact O-N 2.86Å; Q104-V107 PolarHBondContact O-N 3.25Å; Q104-V107 VanDerWaalsContact O-N 3.07Å; Q104-D108 PolarHBondContact NE2-OD1 2.92Å; Q104-D108 PolarHBondContact O-N 3.43Å
105	L	95	Very high	93.7	Very high	99 Å²	99	49.5 Å²	49.5	52%	0.518	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-36.3	176.1	-72.4	172.1	0	0	0	113	T101 T102 N103 V107 R109	T101-L105 HydrophobicContact CG2-CD1 4.27Å; T101-L105 HydrophobicContact CG2-CG 4.46Å; T101-L105 WeakPolarHBondContact O-CB 3.47Å; T101-L105 VanDerWaalsContact O-CG 3.27Å; T101-L105 WeakPolarHBondContact O-CG 3.23Å; T101-L105 PolarHBondContact O-N 3.48Å; T102-L105 PolarHBondContact O-N 2.87Å; N103-L105 PolarHBondContact O-N 2.85Å; L105-V107 VanDerWaalsContact C-N 3.34Å; L105-R109 VanDerWaalsContact O-CG 3.27Å; L105-R109 WeakPolarHBondContact O-CG 3.39Å; L105-R109 PolarHBondContact O-N 3.44Å; L105-R109 VanDerWaalsContact O-N 3.09Å
106	V	96.3	Very high	92.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-44.1	174.4	174.7	0	0	0	0	110.6	F56 V57 Q61 L65 T102 N103 Q104 R109 L110 L168	F56-V106 HydrophobicContact CE1-CG1 4.46Å; V57-V106 HydrophobicContact CG1-CG1 3.5Å; V57-V106 VanDerWaalsContact CG1-CG1 3.5Å; V57-V106 HydrophobicContact CG1-CG2 4.21Å; Q61-V106 HydrophobicContact CB-CG2 4.05Å; Q61-V106 HydrophobicContact CG-CG2 3.97Å; L65-V106 HydrophobicContact CD1-CB 4.47Å; L65-V106 HydrophobicContact CD1-CG1 3.89Å; T102-V106 WeakPolarHBondContact O-CG2 3.27Å; T102-V106 PolarHBondContact O-N 3.44Å; T102-V106 VanDerWaalsContact O-N 3.11Å; N103-V106 PolarHBondContact O-N 2.84Å; Q104-V106 VanDerWaalsContact C-N 3.3Å; Q104-V106 PolarHBondContact O-N 2.86Å; V106-R109 PolarHBondContact O-N 3.32Å; V106-L110 PolarHBondContact O-N 3.01Å; V106-L168 HydrophobicContact CG1-CD2 3.97Å
107	V	95.9	Very high	91.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-40	-178.9	172.9	0	0	0	0	111.1	W98 N103 Q104 L105 R109 L110 K111 I140	W98-V107 HydrophobicContact CD2-CG2 3.63Å; W98-V107 HydrophobicContact CE3-CG2 4.32Å; W98-V107 HydrophobicContact CG-CG2 3.91Å; W98-V107 HydrophobicContact CH2-CG2 4.24Å; W98-V107 HydrophobicContact CZ2-CG2 3.58Å; W98-V107 VanDerWaalsContact NE1-CG2 3.3Å; N103-V107 VanDerWaalsContact O-CG2 3.27Å; N103-V107 WeakPolarHBondContact O-CG2 3.49Å; N103-V107 PolarHBondContact O-N 2.92Å; Q104-V107 PolarHBondContact O-N 3.25Å; Q104-V107 VanDerWaalsContact O-N 3.07Å; L105-V107 VanDerWaalsContact C-N 3.34Å; V107-R109 VanDerWaalsContact C-N 3.32Å; V107-R109 PolarHBondContact O-N 2.89Å; V107-L110 CarbonylContact O-C 3.52Å; V107-L110 WeakPolarHBondContact O-CA 3.48Å; V107-L110 WeakPolarHBondContact O-CB 3.44Å; V107-L110 PolarHBondContact O-N 3.44Å; V107-K111 HydrophobicContact CG1-CD 4.46Å; V107-K111 HydrophobicContact CG1-CG 4.43Å; V107-K111 WeakPolarHBondContact O-CG 3.38Å; V107-K111 PolarHBondContact O-N 3.04Å; V107-I140 HydrophobicContact CG1-CD1 4.4Å; V107-I140 HydrophobicContact CG1-CG1 4Å
108	D	93.5	Very high	89.2	Confident	61 Å²	61	41.3 Å²	41.3	33%	0.326	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-41.7	176.4	-61.4	-20.9	0	0	0	110.8	Q104 L110 K111 A112	Q104-D108 PolarHBondContact NE2-OD1 2.92Å; Q104-D108 PolarHBondContact O-N 3.43Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.33Å; D108-K111 PolarHBondContact O-N 3.45Å; D108-A112 WeakPolarHBondContact O-CB 3.22Å; D108-A112 PolarHBondContact O-N 2.76Å
109	R	94.2	Very high	86.8	Confident	96 Å²	96	48.5 Å²	48.5	36%	0.362	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-38.4	171.2	-70.5	-177.8	-52.6	159.8	11.6	112.3	F56 Q61 L105 V106 V107 T113	F56-R109 HydrophobicContact CE1-CB 4.36Å; F56-R109 HydrophobicContact CZ-CB 3.75Å; F56-R109 PolarHBondContact O-NH1 3.42Å; F56-R109 PolarHBondContact O-NH2 3.35Å; F56-R109 VanDerWaalsContact O-NH2 3.13Å; Q61-R109 VanDerWaalsContact OE1-NH2 3.12Å; L105-R109 VanDerWaalsContact O-CG 3.27Å; L105-R109 WeakPolarHBondContact O-CG 3.39Å; L105-R109 PolarHBondContact O-N 3.44Å; L105-R109 VanDerWaalsContact O-N 3.09Å; V106-R109 PolarHBondContact O-N 3.32Å; V107-R109 VanDerWaalsContact C-N 3.32Å; V107-R109 PolarHBondContact O-N 2.89Å; R109-T113 VanDerWaalsContact O-CB 3.24Å; R109-T113 WeakPolarHBondContact O-CB 3.45Å; R109-T113 PolarHBondContact O-N 2.89Å; R109-T113 PolarHBondContact O-OG1 3.31Å
110	L	95.2	Very high	84.2	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-46.3	177.5	179.3	64.7	0	0	0	110.3	F56 V106 V107 D108 T113 T114 A166 L168 V218 V261 C263	F56-L110 HydrophobicContact CE1-CB 4.33Å; F56-L110 HydrophobicContact CZ-CB 4.43Å; V106-L110 PolarHBondContact O-N 3.01Å; V107-L110 CarbonylContact O-C 3.52Å; V107-L110 WeakPolarHBondContact O-CA 3.48Å; V107-L110 WeakPolarHBondContact O-CB 3.44Å; V107-L110 PolarHBondContact O-N 3.44Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.33Å; L110-T113 PolarHBondContact O-N 3.02Å; L110-T114 PolarHBondContact O-N 2.94Å; L110-T114 PolarHBondContact O-OG1 3.21Å; L110-A166 HydrophobicContact CD1-CB 3.8Å; L110-L168 HydrophobicContact CD1-CB 4.31Å; L110-L168 HydrophobicContact CD2-CB 4.3Å; L110-V218 HydrophobicContact CD1-CG1 3.93Å; L110-V218 HydrophobicContact CD1-CG2 3.77Å; L110-V261 HydrophobicContact CD2-CB 4.44Å; L110-V261 HydrophobicContact CD2-CG1 3.94Å; L110-C263 HydrophobicContact CD2-CB 3.95Å; L110-C263 HydrophobicContact CG-CB 3.88Å
111	K	94.5	Very high	81.7	Confident	18 Å²	18	47.5 Å²	47.5	8%	0.078	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-50.5	174.8	-68.3	177	170.6	-178.1	0	111.6	V107 D108 T113 T114 V115 I132 D133 V136 I140	V107-K111 HydrophobicContact CG1-CD 4.46Å; V107-K111 HydrophobicContact CG1-CG 4.43Å; V107-K111 WeakPolarHBondContact O-CG 3.38Å; V107-K111 PolarHBondContact O-N 3.04Å; D108-K111 PolarHBondContact O-N 3.45Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 3.31Å; K111-T114 WeakPolarHBondContact O-CA 3.28Å; K111-T114 VanDerWaalsContact O-CB 3.26Å; K111-T114 WeakPolarHBondContact O-CB 3.34Å; K111-T114 PolarHBondContact O-N 3.44Å; K111-V115 PolarHBondContact O-N 2.81Å; K111-I132 HydrophobicContact CB-CG2 3.7Å; K111-D133 WeakPolarHBondContact CD-OD1 3.28Å; K111-D133 IonicContact NZ-OD1 3.33Å; K111-D133 PolarHBondContact NZ-OD1 2.81Å; K111-V136 HydrophobicContact CB-CG2 4.36Å; K111-V136 HydrophobicContact CD-CG2 4.05Å; K111-V136 HydrophobicContact CG-CG2 3.99Å; K111-I140 HydrophobicContact CG-CD1 4.45Å
112	A	92.1	Very high	78.7	Confident	37 Å²	37	47.9 Å²	47.9	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-40.2	176.4	0	0	0	0	0	112	D108 T114 V115 G116 I132	D108-A112 WeakPolarHBondContact O-CB 3.22Å; D108-A112 PolarHBondContact O-N 2.76Å; A112-T114 VanDerWaalsContact C-N 3.34Å; A112-V115 PolarHBondContact O-N 2.97Å; A112-G116 PolarHBondContact O-N 3.36Å; A112-I132 HydrophobicContact CB-CD1 3.89Å
113	T	91.5	Very high	75.7	Confident	13 Å²	13	51.1 Å²	51.1	8%	0.08	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-34.9	175.7	-66.2	0	0	0	0	112.1	K53 R109 L110 K111 V115 S117 V218 I220 R222	K53-T113 HydrophobicContact CD-CG2 4.15Å; K53-T113 PolarHBondContact NZ-OG1 3.28Å; R109-T113 VanDerWaalsContact O-CB 3.24Å; R109-T113 WeakPolarHBondContact O-CB 3.45Å; R109-T113 PolarHBondContact O-N 2.89Å; R109-T113 PolarHBondContact O-OG1 3.31Å; L110-T113 PolarHBondContact O-N 3.02Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 3.31Å; T113-V115 VanDerWaalsContact C-N 3.34Å; T113-S117 PolarHBondContact O-OG 3.32Å; T113-V218 HydrophobicContact CG2-CG1 4.29Å; T113-I220 HydrophobicContact CG2-CD1 3.34Å; T113-I220 HydrophobicContact CG2-CG1 4.17Å; T113-R222 PolarHBondContact O-NH2 2.85Å
114	T	92.7	Very high	73	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-36.9	176.6	-49.7	0	0	0	0	111.5	L110 K111 A112 V136 S164 A166 R222 C263 T265	L110-T114 PolarHBondContact O-N 2.94Å; L110-T114 PolarHBondContact O-OG1 3.21Å; K111-T114 WeakPolarHBondContact O-CA 3.28Å; K111-T114 VanDerWaalsContact O-CB 3.26Å; K111-T114 WeakPolarHBondContact O-CB 3.34Å; K111-T114 PolarHBondContact O-N 3.44Å; A112-T114 VanDerWaalsContact C-N 3.34Å; T114-V136 HydrophobicContact CG2-CG1 4.32Å; T114-S164 WeakPolarHBondContact O-CB 3.43Å; T114-S164 PolarHBondContact O-OG 2.9Å; T114-A166 HydrophobicContact CG2-CB 4.13Å; T114-A166 WeakPolarHBondContact OG1-CB 3.49Å; T114-R222 VanDerWaalsContact C-NH2 3.27Å; T114-R222 VanDerWaalsContact O-CZ 3.25Å; T114-R222 PolarHBondContact O-NH1 2.69Å; T114-R222 PolarHBondContact O-NH2 3.23Å; T114-C263 HydrophobicContact CG2-CB 4.49Å; T114-C263 WeakPolarHBondContact OG1-CB 3.14Å; T114-C263 PolarHBondContact OG1-SG 3.13Å; T114-T265 HydrophobicContact CG2-CG2 4.07Å
115	V	89.5	Confident	70.2	Confident	28 Å²	28	58.1 Å²	58.1	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-85.1	-61.9	177.7	-177.3	0	0	0	0	110.8	K111 A112 T113 S117 E127 I132 V136 R222	K111-V115 PolarHBondContact O-N 2.81Å; A112-V115 PolarHBondContact O-N 2.97Å; T113-V115 VanDerWaalsContact C-N 3.34Å; V115-S117 PolarHBondContact O-N 3.16Å; V115-E127 WeakPolarHBondContact CG1-OE2 3.49Å; V115-I132 HydrophobicContact CG2-CG2 4.11Å; V115-V136 HydrophobicContact CG2-CG1 3.67Å; V115-R222 PolarHBondContact O-NH1 3.1Å
116	G	75.8	Confident	67.9	Low	28 Å²	28	62.3 Å²	62.3	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-72.6	10	-164.1	0	0	0	0	0	118.2	A112 A121	A112-G116 PolarHBondContact O-N 3.36Å; G116-A121 WeakPolarHBondContact O-CB 3.5Å
117	S	59.4	Low	65.9	Low	25 Å²	25	64.7 Å²	64.7	18%	0.175	39%	0.385	C	S	.	.			trans	-103.2	26.9	173.5	-31.4	0	0	0	0	113	T113 V115 I220 R222	T113-S117 PolarHBondContact O-OG 3.32Å; V115-S117 PolarHBondContact O-N 3.16Å; S117-I220 WeakPolarHBondContact OG-CD1 3.44Å; S117-R222 PolarHBondContact O-NH1 3.44Å; S117-R222 PolarHBondContact OG-NH2 2.89Å
118	G	48.1	Very low	64.4	Low	25 Å²	25	69.5 Å²	69.5	26%	0.258	41%	0.41	S	S	.	.	S	Bend	trans	-68.6	152.8	174.7	0	0	0	0	0	111.2	T120 A121	G118-T120 PolarHBondContact O-N 2.82Å; G118-A121 VanDerWaalsContact O-CB 3.28Å; G118-A121 WeakPolarHBondContact O-CB 3.31Å; G118-A121 PolarHBondContact O-N 2.94Å
119	L	42.7	Very low	63.2	Low	168 Å²	168	69.8 Å²	69.8	88%	0.88	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.4	175.2	-100.7	77.3	0	0	0	113.4
120	T	37.9	Very low	62.2	Low	122 Å²	122	67.2 Å²	67.2	75%	0.748	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	7.7	179.5	52.4	0	0	0	0	114.2	G118 T122	G118-T120 PolarHBondContact O-N 2.82Å; T120-T122 PolarHBondContact O-N 2.75Å
121	A	40.2	Very low	61.5	Low	44 Å²	44	73 Å²	73	36%	0.364	45%	0.445	S	S	.	.			trans	-72.6	31.5	-175	0	0	0	0	0	115.8	G116 G118 T123	G116-A121 WeakPolarHBondContact O-CB 3.5Å; G118-A121 VanDerWaalsContact O-CB 3.28Å; G118-A121 WeakPolarHBondContact O-CB 3.31Å; G118-A121 PolarHBondContact O-N 2.94Å; A121-T123 PolarHBondContact O-N 2.65Å
122	T	31.1	Very low	60.9	Low	121 Å²	121	73.2 Å²	73.2	74%	0.742	45%	0.447	S	S	*	.	S	Bend	trans	-69.8	107	156.3	10.5	0	0	0	0	107.3	T120	T120-T122 PolarHBondContact O-N 2.75Å
123	T	31.7	Very low	60.4	Low	132 Å²	132	75.1 Å²	75.1	81%	0.81	45%	0.452	S	S	*	.			trans	84.1	70.1	175.2	70.4	0	0	0	0	117.2	A121	A121-T123 PolarHBondContact O-N 2.65Å
124	M	40	Very low	60.2	Low	101 Å²	101	81.5 Å²	81.5	50%	0.498	48%	0.481	S	S	.	.			trans	-119.6	67.2	162.8	-56.2	-114.3	81.9	0	0	109.7	M126 E127	M124-M126 PolarHBondContact O-N 3.19Å; M124-E127 HydrophobicContact CB-CG 4.4Å; M124-E127 VanDerWaalsContact CE-CD 3.47Å; M124-E127 HydrophobicContact CE-CG 3.18Å; M124-E127 WeakPolarHBondContact CE-OE1 3.41Å; M124-E127 HydrophobicContact CG-CG 4.5Å; M124-E127 HydrophobicContact SD-CG 3.36Å; M124-E127 WeakPolarHBondContact SD-CG 3.37Å
125	A	37.3	Very low	60	Low	99 Å²	99	83.6 Å²	83.6	82%	0.818	50%	0.496	S	S	*	.	S	Bend	trans	-68.3	115.5	155.8	0	0	0	0	0	106.7	E127	A125-E127 PolarHBondContact O-N 3.45Å
126	M	47.4	Very low	60.2	Low	187 Å²	187	82.3 Å²	82.3	92%	0.921	49%	0.488	S	S	*	.			trans	39.5	73.8	174.3	-71.8	178.3	151.7	0	0	113.1	M124 D128	M124-M126 PolarHBondContact O-N 3.19Å; M126-D128 PolarHBondContact O-N 2.86Å; M126-D128 VanDerWaalsContact O-N 3.16Å
127	E	53.1	Low	61.1	Low	51 Å²	51	82.9 Å²	82.9	24%	0.238	49%	0.485	C	S	.	.			trans	-52.3	129.3	153.3	-79.3	-165.5	132.5	0	0	107.9	V115 M124 A125 A129 I132	V115-E127 WeakPolarHBondContact CG1-OE2 3.49Å; M124-E127 HydrophobicContact CB-CG 4.4Å; M124-E127 VanDerWaalsContact CE-CD 3.47Å; M124-E127 HydrophobicContact CE-CG 3.18Å; M124-E127 WeakPolarHBondContact CE-OE1 3.41Å; M124-E127 HydrophobicContact CG-CG 4.5Å; M124-E127 HydrophobicContact SD-CG 3.36Å; M124-E127 WeakPolarHBondContact SD-CG 3.37Å; A125-E127 PolarHBondContact O-N 3.45Å; E127-A129 PolarHBondContact O-N 2.89Å; E127-I132 HydrophobicContact CB-CD1 4.06Å; E127-I132 HydrophobicContact CB-CG1 3.97Å
128	D	64.2	Low	62.7	Low	102 Å²	102	85.1 Å²	85.1	55%	0.545	50%	0.498	S	S	.	.			trans	-49.5	126.1	173.7	-171.8	-12.5	0	0	0	108	M126 A130 K131 I132	M126-D128 PolarHBondContact O-N 2.86Å; M126-D128 VanDerWaalsContact O-N 3.16Å; D128-A130 PolarHBondContact O-N 2.94Å; D128-A130 PolarHBondContact OD1-N 3.31Å; D128-K131 HydrophobicContact CB-CD 4.42Å; D128-K131 HydrophobicContact CB-CG 4.24Å; D128-K131 WeakPolarHBondContact O-CA 3.37Å; D128-K131 WeakPolarHBondContact O-CB 3.43Å; D128-K131 PolarHBondContact O-N 3.44Å; D128-I132 PolarHBondContact O-N 2.95Å
129	A	68.5	Low	64.9	Low	67 Å²	67	87.3 Å²	87.3	55%	0.554	50%	0.504	S	S	*	.	H	α-helix	trans	-52.1	-31	-177.1	0	0	0	0	0	111.4	E127 K131 I132 D133	E127-A129 PolarHBondContact O-N 2.89Å; A129-K131 PolarHBondContact O-N 2.97Å; A129-I132 PolarHBondContact O-N 3.04Å; A129-D133 PolarHBondContact O-N 2.75Å
130	A	72.5	Confident	67.5	Low	42 Å²	42	79.4 Å²	79.4	35%	0.347	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-38.9	173.5	0	0	0	0	0	113.6	D128 Q134	D128-A130 PolarHBondContact O-N 2.94Å; D128-A130 PolarHBondContact OD1-N 3.31Å; A130-Q134 WeakPolarHBondContact O-CG 3.41Å; A130-Q134 PolarHBondContact O-N 3.15Å; A130-Q134 VanDerWaalsContact O-N 3.1Å
131	K	81	Confident	70.3	Confident	123 Å²	123	74.5 Å²	74.5	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-70.3	-38.7	177.6	-69.8	-177	178.9	-177	0	111.9	D128 A129 Q134 S135	D128-K131 HydrophobicContact CB-CD 4.42Å; D128-K131 HydrophobicContact CB-CG 4.24Å; D128-K131 WeakPolarHBondContact O-CA 3.37Å; D128-K131 WeakPolarHBondContact O-CB 3.43Å; D128-K131 PolarHBondContact O-N 3.44Å; A129-K131 PolarHBondContact O-N 2.97Å; K131-Q134 PolarHBondContact O-N 3.23Å; K131-S135 WeakPolarHBondContact O-CB 3.42Å; K131-S135 PolarHBondContact O-N 2.95Å; K131-S135 VanDerWaalsContact O-N 3.16Å; K131-S135 PolarHBondContact O-OG 3.5Å
132	I	82.1	Confident	73	Confident	22 Å²	22	72.4 Å²	72.4	11%	0.113	41%	0.414	C	S	.	.	H	α-helix	trans	-62.3	-48.9	176	-65.8	169	0	0	0	109.5	K111 A112 V115 E127 D128 A129 Q134 S135 V136	K111-I132 HydrophobicContact CB-CG2 3.7Å; A112-I132 HydrophobicContact CB-CD1 3.89Å; V115-I132 HydrophobicContact CG2-CG2 4.11Å; E127-I132 HydrophobicContact CB-CD1 4.06Å; E127-I132 HydrophobicContact CB-CG1 3.97Å; D128-I132 PolarHBondContact O-N 2.95Å; A129-I132 PolarHBondContact O-N 3.04Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.29Å; I132-S135 WeakPolarHBondContact O-CB 3.35Å; I132-S135 PolarHBondContact O-N 3.19Å; I132-V136 WeakPolarHBondContact O-CG2 3.21Å; I132-V136 PolarHBondContact O-N 3.05Å
133	D	81.1	Confident	76.2	Confident	78 Å²	78	66.8 Å²	66.8	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-30.8	179.7	-85.3	-17.6	0	0	0	113.4	K111 A129 S135	K111-D133 WeakPolarHBondContact CD-OD1 3.28Å; K111-D133 IonicContact NZ-OD1 3.33Å; K111-D133 PolarHBondContact NZ-OD1 2.81Å; A129-D133 PolarHBondContact O-N 2.75Å; D133-S135 VanDerWaalsContact C-N 3.3Å
134	Q	87.5	Confident	79.3	Confident	146 Å²	146	60.5 Å²	60.5	68%	0.682	34%	0.341	S	S	*	.	H	α-helix	trans	-75	-19.8	173.5	-72.3	168.8	21.8	0	0	113.2	A130 K131 I132 H266	A130-Q134 WeakPolarHBondContact O-CG 3.41Å; A130-Q134 PolarHBondContact O-N 3.15Å; A130-Q134 VanDerWaalsContact O-N 3.1Å; K131-Q134 PolarHBondContact O-N 3.23Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.29Å; Q134-H266 PolarHBondContact O-CD2 3.38Å; Q134-H266 VanDerWaalsContact O-CD2 3.26Å
135	S	89.8	Confident	82	Confident	45 Å²	45	55.7 Å²	55.7	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-91.2	-20.6	-177.2	-59.8	0	0	0	0	113	K131 I132 D133 T265 H266	K131-S135 WeakPolarHBondContact O-CB 3.42Å; K131-S135 PolarHBondContact O-N 2.95Å; K131-S135 VanDerWaalsContact O-N 3.16Å; K131-S135 PolarHBondContact O-OG 3.5Å; I132-S135 WeakPolarHBondContact O-CB 3.35Å; I132-S135 PolarHBondContact O-N 3.19Å; D133-S135 VanDerWaalsContact C-N 3.3Å; S135-T265 VanDerWaalsContact O-CA 3.24Å; S135-T265 WeakPolarHBondContact O-CA 3.39Å; S135-T265 WeakPolarHBondContact O-CB 3.25Å; S135-H266 PolarHBondContact O-N 3.45Å
136	V	93.5	Very high	84.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-110.7	151.7	-178.1	-57.6	0	0	0	0	112	K111 T114 V115 I132 R264 H266	K111-V136 HydrophobicContact CB-CG2 4.36Å; K111-V136 HydrophobicContact CD-CG2 4.05Å; K111-V136 HydrophobicContact CG-CG2 3.99Å; T114-V136 HydrophobicContact CG2-CG1 4.32Å; V115-V136 HydrophobicContact CG2-CG1 3.67Å; I132-V136 WeakPolarHBondContact O-CG2 3.21Å; I132-V136 PolarHBondContact O-N 3.05Å; V136-R264 CarbonylContact C-O 3.5Å; V136-R264 VanDerWaalsContact CA-O 3.31Å; V136-R264 WeakPolarHBondContact CA-O 3.42Å; V136-R264 WeakPolarHBondContact CB-O 3.49Å; V136-H266 PolarHBondContact O-CD2 3.31Å; V136-H266 PolarHBondContact O-NE2 3.04Å; V136-H266 VanDerWaalsContact O-NE2 3.07Å
137	L	94.2	Very high	87.3	Confident	40 Å²	40	47.2 Å²	47.2	21%	0.209	26%	0.26	C	S	.	.			trans	-57.7	138.1	174.1	-62.5	-179.1	0	0	0	110.4	L139 F160 R264	L137-L139 PolarHBondContact O-N 2.85Å; L137-F160 WeakPolarHBondContact CD1-O 3.33Å; L137-R264 HydrophobicContact CD1-CB 3.85Å; L137-R264 HydrophobicContact CG-CB 4.21Å; L137-R264 PolarHBondContact N-O 2.9Å
138	P	92.6	Very high	89.2	Confident	71 Å²	71	49 Å²	49	46%	0.461	27%	0.271	S	S	.	.	S	Bend	trans	-67.7	-23.7	-175.7	26.2	-35.3	0	0	0	113.1
139	L	94.9	Very high	90.6	Very high	72 Å²	72	44.1 Å²	44.1	38%	0.377	25%	0.245	S	C	.	.	S	Bend	trans	-102.4	120.3	178.7	-61.2	-176.7	0	0	0	109.6	E94 K96 L137	E94-L139 HydrophobicContact CB-CB 4.16Å; E94-L139 HydrophobicContact CB-CD1 4.25Å; E94-L139 VanDerWaalsContact OE2-CD1 3.23Å; E94-L139 WeakPolarHBondContact OE2-CD1 3.36Å; K96-L139 HydrophobicContact CB-CD2 3.78Å; K96-L139 HydrophobicContact CG-CD2 4.46Å; L137-L139 PolarHBondContact O-N 2.85Å
140	I	96.6	Very high	91.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	123	172.8	-56.5	-57.4	0	0	0	108.2	E94 R95 W98 V107 K111 V261 C263	E94-I140 WeakPolarHBondContact CA-O 3.25Å; R95-I140 PolarHBondContact N-O 2.92Å; R95-I140 PolarHBondContact O-N 3.06Å; W98-I140 HydrophobicContact CZ2-CB 4.33Å; W98-I140 HydrophobicContact CZ2-CG2 4.08Å; V107-I140 HydrophobicContact CG1-CD1 4.4Å; V107-I140 HydrophobicContact CG1-CG1 4Å; K111-I140 HydrophobicContact CG-CD1 4.45Å; I140-V261 HydrophobicContact CG2-CG1 3.37Å; I140-C263 HydrophobicContact CD1-CB 4.12Å
141	H	96.9	Very high	93	Very high	19 Å²	19	41 Å²	41	9%	0.088	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129	179.2	176.1	-145.6	0	0	0	109.5	E92 I262 R264	E92-H141 IonicContact OE2-NE2 3.44Å; H141-I262 HydrophobicContact CB-CB 4.18Å; H141-I262 PolarHBondContact N-O 2.84Å; H141-I262 VanDerWaalsContact N-O 3.08Å; H141-I262 WeakPolarHBondContact ND1-CD1 3.25Å; H141-I262 PolarHBondContact O-N 2.8Å; H141-R264 PolarHBondContact ND1-NH1 2.94Å
142	V	97.8	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.7	174.9	-179.9	0	0	0	0	108.7	L69 L73 E92 L93 W98 V259 S260 V261	L69-V142 HydrophobicContact CD1-CG1 3.93Å; L69-V142 HydrophobicContact CD2-CB 4.48Å; L69-V142 HydrophobicContact CD2-CG1 4.02Å; L69-V142 HydrophobicContact CD2-CG2 3.91Å; L73-V142 HydrophobicContact CD1-CG1 4.28Å; E92-V142 CarbonylContact C-O 3.56Å; E92-V142 WeakPolarHBondContact CA-O 3.44Å; L93-V142 HydrophobicContact CD1-CB 3.65Å; L93-V142 HydrophobicContact CD1-CG1 4.42Å; L93-V142 HydrophobicContact CD1-CG2 3.76Å; L93-V142 HydrophobicContact CG-CB 4.01Å; L93-V142 HydrophobicContact CG-CG1 4.49Å; L93-V142 PolarHBondContact N-O 2.8Å; L93-V142 PolarHBondContact O-N 2.96Å; W98-V142 HydrophobicContact CH2-CG2 4.2Å; V142-V259 HydrophobicContact CG1-CG1 4.07Å; V142-S260 WeakPolarHBondContact CA-O 3.35Å; V142-V261 HydrophobicContact CG2-CG2 4.46Å
143	L	97.1	Very high	94.3	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.3	178.6	-178.3	66.3	0	0	0	109.8	I87 F90 E92 I151 V259 S260 I262	I87-L143 HydrophobicContact CD1-CD1 4.11Å; I87-L143 HydrophobicContact CD1-CD2 4.02Å; I87-L143 HydrophobicContact CG2-CD1 4.43Å; F90-L143 HydrophobicContact CB-CD1 3.88Å; F90-L143 HydrophobicContact CD2-CD1 3.5Å; F90-L143 HydrophobicContact CE2-CD1 4.46Å; F90-L143 HydrophobicContact CG-CD1 4.03Å; E92-L143 HydrophobicContact CB-CD1 4.24Å; L143-I151 HydrophobicContact CD2-CD1 3.47Å; L143-I151 VanDerWaalsContact CD2-CD1 3.47Å; L143-I151 HydrophobicContact CD2-CG1 4.21Å; L143-V259 CarbonylContact O-C 3.55Å; L143-V259 WeakPolarHBondContact O-CA 3.46Å; L143-S260 PolarHBondContact N-O 2.71Å; L143-S260 PolarHBondContact O-N 2.9Å; L143-I262 HydrophobicContact CB-CD1 4.09Å
144	D	97.8	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.5	175.8	-177.1	6.6	0	0	0	109.4	L73 Y78 F90 R91 R257 V259	L73-D144 HydrophobicContact CD1-CB 3.97Å; L73-D144 HydrophobicContact CD2-CB 4.03Å; Y78-D144 PolarHBondContact OH-OD1 2.95Å; F90-D144 CarbonylContact C-O 3.54Å; F90-D144 VanDerWaalsContact CA-O 3.25Å; F90-D144 WeakPolarHBondContact CA-O 3.21Å; R91-D144 HydrophobicContact CG-CB 3.73Å; R91-D144 IonicContact CZ-OD2 3.95Å; R91-D144 PolarHBondContact N-O 3.08Å; R91-D144 IonicContact NE-OD2 3.81Å; R91-D144 PolarHBondContact NE-OD2 2.86Å; R91-D144 IonicContact NH2-OD2 3.81Å; R91-D144 PolarHBondContact NH2-OD2 3.18Å; R91-D144 WeakPolarHBondContact O-CA 3.34Å; R91-D144 WeakPolarHBondContact O-CB 3.32Å; R91-D144 PolarHBondContact O-N 2.83Å; D144-R257 WeakPolarHBondContact OD1-CG 3.33Å; D144-R257 IonicContact OD1-CZ 3.47Å; D144-R257 IonicContact OD1-NE 3.46Å; D144-R257 PolarHBondContact OD1-NE 3.37Å; D144-R257 IonicContact OD1-NH2 3.06Å; D144-R257 IonicContact OD2-CZ 2.9Å; D144-R257 IonicContact OD2-NE 3.36Å; D144-R257 PolarHBondContact OD2-NE 3.36Å; D144-R257 IonicContact OD2-NH2 2.95Å; D144-R257 PolarHBondContact OD2-NH2 3.47Å; D144-V259 HydrophobicContact CB-CG2 4.07Å
145	L	97.3	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.1	-177.5	-161.5	68.3	0	0	0	108.9	I87 F90 I151 I233 R257 R258	I87-L145 HydrophobicContact CG2-CD1 4.08Å; F90-L145 HydrophobicContact CB-CD1 4.05Å; L145-I151 HydrophobicContact CD1-CG1 4.41Å; L145-I151 HydrophobicContact CD2-CG1 4.41Å; L145-I233 HydrophobicContact CD2-CG2 4.24Å; L145-R257 WeakPolarHBondContact O-CA 3.32Å; L145-R258 HydrophobicContact CB-CB 4.31Å; L145-R258 WeakPolarHBondContact CB-O 3.24Å; L145-R258 PolarHBondContact N-O 3.06Å; L145-R258 PolarHBondContact O-N 2.77Å
146	A	96.9	Very high	95.4	Very high	10 Å²	10	30 Å²	30	8%	0.083	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	164.5	171.3	0	0	0	0	0	110.8	Y78 N89 N148 G149	Y78-A146 HydrophobicContact CD1-CB 4.05Å; Y78-A146 HydrophobicContact CE1-CB 3.78Å; Y78-A146 HydrophobicContact CE2-CB 4.4Å; Y78-A146 HydrophobicContact CG-CB 4.49Å; N89-A146 HydrophobicContact CB-CB 4.07Å; N89-A146 VanDerWaalsContact O-CB 3.28Å; N89-A146 WeakPolarHBondContact O-CB 3.45Å; N89-A146 PolarHBondContact O-N 3.03Å; A146-N148 WeakPolarHBondContact CB-OD1 3.48Å; A146-N148 PolarHBondContact O-N 3.43Å; A146-G149 PolarHBondContact O-N 3.2Å
147	E	97.3	Very high	95.2	Very high	97 Å²	97	32.7 Å²	32.7	45%	0.453	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	-41.7	174.5	174.7	169.4	-177.7	0	0	112.3	G149 N236 H254 R255	E147-G149 VanDerWaalsContact C-N 3.34Å; E147-N236 PolarHBondContact O-ND2 2.81Å; E147-N236 VanDerWaalsContact O-ND2 3.15Å; E147-H254 IonicContact OE1-CD2 3.9Å; E147-H254 IonicContact OE1-CE1 3.16Å; E147-H254 IonicContact OE1-NE2 3.43Å; E147-H254 PolarHBondContact OE1-NE2 2.9Å; E147-R255 WeakPolarHBondContact CG-O 3.43Å; E147-R255 PolarHBondContact O-NH2 2.91Å
148	N	94.3	Very high	95	Very high	89 Å²	89	31.5 Å²	31.5	48%	0.476	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	19.6	174.8	70.4	-21.9	0	0	0	113.5	N89 A146	N89-N148 PolarHBondContact ND2-ND2 3.41Å; N89-N148 PolarHBondContact ND2-O 3.27Å; A146-N148 WeakPolarHBondContact CB-OD1 3.48Å; A146-N148 PolarHBondContact O-N 3.43Å
149	G	94.1	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	161.4	174.5	0	0	0	0	0	112.3	K88 A146 E147 R255	K88-G149 WeakPolarHBondContact O-CA 3.45Å; A146-G149 PolarHBondContact O-N 3.2Å; E147-G149 VanDerWaalsContact C-N 3.34Å; G149-R255 PolarHBondContact O-NH2 2.83Å
150	E	93.6	Very high	94.4	Very high	26 Å²	26	39.1 Å²	39.1	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.7	174.4	65.8	179.9	-170.2	0	0	111	I87 K88 M152 S235	I87-E150 WeakPolarHBondContact CA-O 3.48Å; K88-E150 HydrophobicContact CB-CG 4.02Å; K88-E150 HydrophobicContact CD-CG 4.08Å; K88-E150 VanDerWaalsContact CD-OE1 3.27Å; K88-E150 WeakPolarHBondContact CD-OE1 3.35Å; K88-E150 VanDerWaalsContact CE-OE1 3.27Å; K88-E150 WeakPolarHBondContact CE-OE1 3.49Å; K88-E150 HydrophobicContact CG-CG 4.21Å; K88-E150 PolarHBondContact N-O 3.16Å; K88-E150 IonicContact NZ-OE1 2.7Å; K88-E150 PolarHBondContact NZ-OE1 3.35Å; K88-E150 PolarHBondContact O-N 2.84Å; K88-E150 VanDerWaalsContact O-N 3.16Å; E150-M152 HydrophobicContact CG-CG 4.46Å; E150-S235 WeakPolarHBondContact OE2-CB 3.36Å
151	I	96.1	Very high	94.1	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110	167.9	-54.9	178.4	0	0	0	105.5	A86 I87 L143 L145 H154 A232 I233	A86-I151 CarbonylContact O-C 3.57Å; A86-I151 WeakPolarHBondContact O-CA 3.38Å; I87-I151 HydrophobicContact CG1-CG2 4.41Å; I87-I151 HydrophobicContact CG2-CG1 4.21Å; L143-I151 HydrophobicContact CD2-CD1 3.47Å; L143-I151 VanDerWaalsContact CD2-CD1 3.47Å; L143-I151 HydrophobicContact CD2-CG1 4.21Å; L145-I151 HydrophobicContact CD1-CG1 4.41Å; L145-I151 HydrophobicContact CD2-CG1 4.41Å; I151-H154 WeakPolarHBondContact CG2-CE1 3.49Å; I151-A232 CarbonylContact O-C 3.6Å; I151-A232 VanDerWaalsContact O-CA 3.26Å; I151-A232 WeakPolarHBondContact O-CA 3.41Å; I151-A232 VanDerWaalsContact O-CB 3.25Å; I151-A232 WeakPolarHBondContact O-CB 3.21Å; I151-I233 HydrophobicContact CB-CB 4.01Å; I151-I233 HydrophobicContact CB-CG1 4.3Å; I151-I233 HydrophobicContact CD1-CB 4.11Å; I151-I233 HydrophobicContact CD1-CG1 3.75Å; I151-I233 HydrophobicContact CG1-CB 4.13Å; I151-I233 HydrophobicContact CG1-CG1 4.3Å; I151-I233 PolarHBondContact N-O 3.45Å; I151-I233 PolarHBondContact O-N 3.12Å
152	M	94.8	Very high	93.9	Very high	61 Å²	61	38.2 Å²	38.2	30%	0.3	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	162.7	177	-70.8	-171.2	-64.4	0	0	111.1	Y85 A86 E150 H154	Y85-M152 WeakPolarHBondContact O-CE 3.24Å; A86-M152 PolarHBondContact O-N 3.08Å; E150-M152 HydrophobicContact CG-CG 4.46Å; M152-H154 PolarHBondContact O-N 3.13Å; M152-H154 PolarHBondContact O-ND1 3.46Å
153	A	95.9	Very high	93.5	Very high	61 Å²	61	41.4 Å²	41.4	50%	0.504	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	121.8	-179.2	0	0	0	0	0	110.8	T230 A232	A153-T230 HydrophobicContact CB-CG2 4.39Å; A153-A232 HydrophobicContact CB-CB 4.38Å
154	H	94.5	Very high	93.4	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.134	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	162.6	177.6	66.6	-67.1	0	0	0	111.2	A86 I151 M152 D156 T230 H231	A86-H154 HydrophobicContact CB-CB 4.33Å; I151-H154 WeakPolarHBondContact CG2-CE1 3.49Å; M152-H154 PolarHBondContact O-N 3.13Å; M152-H154 PolarHBondContact O-ND1 3.46Å; H154-D156 IonicContact CD2-OD1 2.75Å; H154-D156 IonicContact NE2-OD1 2.68Å; H154-D156 PolarHBondContact NE2-OD1 3.29Å; H154-T230 CarbonylContact O-C 3.48Å; H154-T230 VanDerWaalsContact O-CA 3.26Å; H154-T230 WeakPolarHBondContact O-CA 3.27Å; H154-H231 AromaticContact CD2-CE1 3.69Å; H154-H231 AromaticContact CE1-CD2 3.91Å; H154-H231 AromaticContact CE1-CE1 3.53Å; H154-H231 AromaticContact CE1-NE2 3.47Å; H154-H231 PolarHBondContact CE1-NE2 2.81Å; H154-H231 PolarHBondContact N-O 2.73Å; H154-H231 PolarHBondContact ND1-O 3.4Å; H154-H231 VanDerWaalsContact ND1-O 3.12Å; H154-H231 AromaticContact NE2-CE1 3.22Å; H154-H231 PolarHBondContact NE2-CE1 2.66Å; H154-H231 AromaticContact NE2-NE2 3.32Å; H154-H231 PolarHBondContact NE2-NE2 2.86Å; H154-H231 PolarHBondContact O-N 3.42Å; H154-H231 PolarHBondContact O-ND1 3.45Å
155	V	94.3	Very high	93.2	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.115	22%	0.216	C	C	.	.			trans	-108.1	126.5	166.3	178.6	0	0	0	0	108	S157 A181 E185 T230	V155-S157 PolarHBondContact O-N 2.67Å; V155-A181 HydrophobicContact CG2-CB 4.06Å; V155-E185 HydrophobicContact CG2-CB 4.04Å; V155-T230 HydrophobicContact CG2-CG2 4.03Å
156	D	92.2	Very high	93.2	Very high	14 Å²	14	41.6 Å²	41.6	8%	0.075	22%	0.216	C	C	.	.			trans	-55.5	142.7	179.7	-102.9	24	0	0	0	110.2	H154 V158 C161 I165 R226 H231 R264	H154-D156 IonicContact CD2-OD1 2.75Å; H154-D156 IonicContact NE2-OD1 2.68Å; H154-D156 PolarHBondContact NE2-OD1 3.29Å; D156-V158 PolarHBondContact O-N 3.46Å; D156-C161 HydrophobicContact CB-CB 4.39Å; D156-I165 HydrophobicContact CB-CD1 3.74Å; D156-I165 WeakPolarHBondContact OD2-CD1 3.28Å; D156-R226 VanDerWaalsContact C-NH1 3.33Å; D156-R226 PolarHBondContact O-NH1 3.48Å; D156-R226 PolarHBondContact O-NH2 3Å; D156-H231 IonicContact OD1-CE1 3.59Å; D156-H231 PolarHBondContact OD1-CE1 3.49Å; D156-H231 IonicContact OD1-NE2 3.81Å; D156-R264 IonicContact OD1-NH2 2.65Å; D156-R264 IonicContact OD2-CZ 2.86Å; D156-R264 IonicContact OD2-NE 3.18Å; D156-R264 PolarHBondContact OD2-NE 2.67Å; D156-R264 IonicContact OD2-NH2 3.38Å; D156-R264 PolarHBondContact OD2-NH2 3.02Å; D156-R264 VanDerWaalsContact OD2-NH2 3.16Å
157	S	91	Very high	93.3	Very high	57 Å²	57	41.4 Å²	41.4	40%	0.399	21%	0.213	S	C	.	.			trans	-63.7	125.9	-176.6	-173.7	0	0	0	0	112.4	V155 K159 F160 C161 R226	V155-S157 PolarHBondContact O-N 2.67Å; S157-K159 PolarHBondContact O-N 3.32Å; S157-K159 PolarHBondContact OG-N 3.34Å; S157-F160 PolarHBondContact O-N 3.22Å; S157-C161 WeakPolarHBondContact O-CB 3.2Å; S157-C161 PolarHBondContact O-N 2.93Å; S157-R226 PolarHBondContact O-NH2 2.81Å
158	V	89.6	Confident	93.3	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.097	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.4	176.1	-60.3	0	0	0	0	113.3	D156 F160 V187 Y227 S267 L271	D156-V158 PolarHBondContact O-N 3.46Å; V158-F160 VanDerWaalsContact C-N 3.27Å; V158-F160 PolarHBondContact O-N 3.47Å; V158-V187 HydrophobicContact CG2-CB 4.18Å; V158-V187 HydrophobicContact CG2-CG1 4.04Å; V158-Y227 HydrophobicContact CG1-CD1 4.2Å; V158-Y227 HydrophobicContact CG1-CE1 4.04Å; V158-S267 WeakPolarHBondContact O-CB 3.46Å; V158-L271 HydrophobicContact CB-CD1 3.62Å; V158-L271 HydrophobicContact CG1-CD1 4.38Å; V158-L271 HydrophobicContact CG2-CD1 3.71Å
159	K	88	Confident	93.5	Very high	158 Å²	158	32.6 Å²	32.6	69%	0.687	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-28	177.4	-66.2	-176.4	178.8	178.4	0	113	S157	S157-K159 PolarHBondContact O-N 3.32Å; S157-K159 PolarHBondContact OG-N 3.34Å
160	F	86	Confident	93.7	Very high	145 Å²	145	32.6 Å²	32.6	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123	-12.7	-172.4	-52.9	-63.9	0	0	0	112.9	L137 S157 V158	L137-F160 WeakPolarHBondContact CD1-O 3.33Å; S157-F160 PolarHBondContact O-N 3.22Å; V158-F160 VanDerWaalsContact C-N 3.27Å; V158-F160 PolarHBondContact O-N 3.47Å
161	C	90.9	Very high	93.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.174	C	C	.	.			trans	-135.7	122.9	-173.1	179.3	0	0	0	0	110.6	D156 S157 I165 R226	D156-C161 HydrophobicContact CB-CB 4.39Å; S157-C161 WeakPolarHBondContact O-CB 3.2Å; S157-C161 PolarHBondContact O-N 2.93Å; C161-I165 WeakPolarHBondContact SG-CG1 3.2Å; C161-R226 PolarHBondContact O-NH2 2.8Å
162	G	91.3	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-79.3	-141.7	178.9	0	0	0	0	0	114.4	S164 R226 Y227 T265 H266	G162-S164 PolarHBondContact O-N 2.9Å; G162-R226 PolarHBondContact O-NE 2.94Å; G162-Y227 PolarHBondContact O-OH 3.09Å; G162-T265 PolarHBondContact N-O 2.7Å; G162-H266 WeakPolarHBondContact CA-O 3.44Å; G162-H266 PolarHBondContact N-O 3.39Å
163	E	91.3	Very high	94.1	Very high	66 Å²	66	32.5 Å²	32.5	31%	0.308	17%	0.172	S	C	.	.	S	Bend	trans	-77.2	-19	-168.4	-57.2	-174.2	135.1	0	0	114.8	P190 Q193 R222 Y227 T265 I268	E163-P190 HydrophobicContact CG-CG 4.49Å; E163-Q193 PolarHBondContact OE1-NE2 2.97Å; E163-R222 WeakPolarHBondContact O-CA 3.5Å; E163-Y227 VanDerWaalsContact CA-OH 3.28Å; E163-Y227 WeakPolarHBondContact CA-OH 3.4Å; E163-Y227 HydrophobicContact CG-CE2 4.49Å; E163-Y227 WeakPolarHBondContact CG-OH 3.44Å; E163-Y227 PolarHBondContact N-OH 3.36Å; E163-T265 PolarHBondContact N-OG1 3.48Å; E163-T265 VanDerWaalsContact N-OG1 3.12Å; E163-I268 HydrophobicContact CG-CD1 4.08Å; E163-I268 HydrophobicContact CG-CG2 4.06Å
164	S	93.1	Very high	94.2	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.028	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.7	-170.1	-176.9	0	0	0	0	112.3	T114 G162 R222 R264 T265	T114-S164 WeakPolarHBondContact O-CB 3.43Å; T114-S164 PolarHBondContact O-OG 2.9Å; G162-S164 PolarHBondContact O-N 2.9Å; S164-R222 PolarHBondContact OG-NE 2.94Å; S164-R222 VanDerWaalsContact OG-NE 3.16Å; S164-R222 PolarHBondContact OG-NH2 3.04Å; S164-R264 WeakPolarHBondContact O-CA 3.27Å; S164-T265 PolarHBondContact N-OG1 3.22Å; S164-T265 VanDerWaalsContact N-OG1 3.13Å; S164-T265 PolarHBondContact O-N 2.96Å; S164-T265 PolarHBondContact O-OG1 2.94Å
165	I	95.6	Very high	94.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.5	175.3	-55.1	165.1	0	0	0	107.6	D156 C161 V167 I220 I221 R226 I262 R264	D156-I165 HydrophobicContact CB-CD1 3.74Å; D156-I165 WeakPolarHBondContact OD2-CD1 3.28Å; C161-I165 WeakPolarHBondContact SG-CG1 3.2Å; I165-V167 HydrophobicContact CG2-CG2 3.9Å; I165-I220 CarbonylContact O-C 3.58Å; I165-I220 VanDerWaalsContact O-CA 3.24Å; I165-I220 WeakPolarHBondContact O-CA 3.21Å; I165-I220 WeakPolarHBondContact O-CG2 3.43Å; I165-I221 PolarHBondContact N-O 3.44Å; I165-I221 PolarHBondContact O-N 3.24Å; I165-R226 HydrophobicContact CD1-CG 4.32Å; I165-I262 HydrophobicContact CG2-CG2 4.07Å; I165-R264 HydrophobicContact CG1-CG 4.35Å; I165-R264 HydrophobicContact CG2-CG 4.28Å
166	A	96.5	Very high	94.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130	171.1	0	0	0	0	0	110.2	L110 T114 V218 Y219 I220 I262 C263	L110-A166 HydrophobicContact CD1-CB 3.8Å; T114-A166 HydrophobicContact CG2-CB 4.13Å; T114-A166 WeakPolarHBondContact OG1-CB 3.49Å; A166-V218 HydrophobicContact CB-CG1 4.16Å; A166-Y219 WeakPolarHBondContact CA-O 3.25Å; A166-I220 HydrophobicContact CB-CG1 4.28Å; A166-I220 HydrophobicContact CB-CG2 4.35Å; A166-I262 WeakPolarHBondContact O-CA 3.43Å; A166-C263 PolarHBondContact N-O 3.47Å; A166-C263 PolarHBondContact O-N 2.94Å
167	V	98	Very high	94.7	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.036	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	110	-177.4	-175.3	0	0	0	0	109.6	I165 V218 Y219 I262	I165-V167 HydrophobicContact CG2-CG2 3.9Å; V167-V218 WeakPolarHBondContact O-CA 3.28Å; V167-Y219 HydrophobicContact CB-CD1 4.04Å; V167-Y219 HydrophobicContact CB-CD2 4.22Å; V167-Y219 HydrophobicContact CB-CE1 3.56Å; V167-Y219 HydrophobicContact CB-CE2 3.73Å; V167-Y219 HydrophobicContact CB-CG 4.36Å; V167-Y219 HydrophobicContact CG1-CD1 4.44Å; V167-Y219 HydrophobicContact CG1-CE1 3.63Å; V167-Y219 HydrophobicContact CG1-CE2 4.47Å; V167-Y219 HydrophobicContact CG2-CD2 4.37Å; V167-Y219 HydrophobicContact CG2-CE1 4.3Å; V167-Y219 HydrophobicContact CG2-CE2 3.63Å; V167-Y219 PolarHBondContact N-O 2.9Å; V167-Y219 PolarHBondContact O-N 3.49Å; V167-I262 HydrophobicContact CG1-CG1 4.02Å; V167-I262 HydrophobicContact CG2-CG1 4.19Å; V167-I262 HydrophobicContact CG2-CG2 4.32Å
168	L	98.4	Very high	95	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121	167.7	172.5	60.7	0	0	0	109.2	F56 V57 L65 V106 L110 L170 S217 V218 S260 V261	F56-L168 HydrophobicContact CD1-CD1 4.1Å; V57-L168 HydrophobicContact CG1-CD1 3.95Å; V57-L168 HydrophobicContact CG1-CD2 4.02Å; V57-L168 HydrophobicContact CG2-CD1 4.14Å; L65-L168 HydrophobicContact CD1-CD2 3.88Å; V106-L168 HydrophobicContact CG1-CD2 3.97Å; L110-L168 HydrophobicContact CD1-CB 4.31Å; L110-L168 HydrophobicContact CD2-CB 4.3Å; L168-L170 HydrophobicContact CD1-CD2 3.96Å; L168-L170 HydrophobicContact CD2-CD2 4.08Å; L168-L170 HydrophobicContact CG-CD2 3.83Å; L168-L170 HydrophobicContact CG-CG 4.15Å; L168-S217 CarbonylContact C-O 3.56Å; L168-S217 WeakPolarHBondContact CA-O 3.15Å; L168-V218 HydrophobicContact CB-CG2 3.85Å; L168-V218 HydrophobicContact CD1-CG2 3.82Å; L168-V218 HydrophobicContact CG-CG2 4.42Å; L168-S260 CarbonylContact O-C 3.46Å; L168-S260 VanDerWaalsContact O-CA 3.25Å; L168-S260 WeakPolarHBondContact O-CA 3.44Å; L168-V261 HydrophobicContact CB-CB 4.15Å; L168-V261 HydrophobicContact CD2-CB 4.3Å; L168-V261 HydrophobicContact CD2-CG2 4.47Å; L168-V261 PolarHBondContact N-O 2.91Å; L168-V261 PolarHBondContact O-N 2.6Å
169	S	98.3	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129	178.6	-62.4	0	0	0	0	110.9	I213 R215 R216 S217 R258	S169-I213 WeakPolarHBondContact OG-CG2 3.49Å; S169-R215 CarbonylContact O-C 3.56Å; S169-R216 WeakPolarHBondContact O-CA 3.37Å; S169-R216 PolarHBondContact O-N 2.7Å; S169-S217 PolarHBondContact N-O 3.45Å; S169-R258 PolarHBondContact OG-NH2 3.01Å
170	L	98.5	Very high	95.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.9	-177.2	-52.5	173.2	0	0	0	110.8	V57 E62 L65 I66 L168 S172 V259 V261	V57-L170 HydrophobicContact CG2-CD2 3.93Å; E62-L170 HydrophobicContact CB-CD2 4.36Å; E62-L170 HydrophobicContact CG-CB 4.44Å; E62-L170 HydrophobicContact CG-CD2 4.05Å; E62-L170 WeakPolarHBondContact OE1-CA 3.5Å; L65-L170 HydrophobicContact CB-CD1 4.26Å; L65-L170 HydrophobicContact CD1-CD1 4.12Å; L65-L170 HydrophobicContact CD1-CD2 4.45Å; I66-L170 HydrophobicContact CD1-CB 4.15Å; I66-L170 HydrophobicContact CD1-CD1 3.98Å; L168-L170 HydrophobicContact CD1-CD2 3.96Å; L168-L170 HydrophobicContact CD2-CD2 4.08Å; L168-L170 HydrophobicContact CG-CD2 3.83Å; L168-L170 HydrophobicContact CG-CG 4.15Å; L170-S172 PolarHBondContact O-N 3.34Å; L170-V259 WeakPolarHBondContact CA-O 3.38Å; L170-V259 HydrophobicContact CB-CB 4.29Å; L170-V259 WeakPolarHBondContact CB-O 3.11Å; L170-V259 HydrophobicContact CD1-CG1 4.31Å; L170-V259 PolarHBondContact N-O 2.85Å; L170-V259 PolarHBondContact O-N 3.15Å; L170-V259 VanDerWaalsContact O-N 3.15Å; L170-V261 HydrophobicContact CD1-CG2 4.05Å
171	L	98.3	Very high	96.4	Very high	41 Å²	41	12 Å²	12	22%	0.215	6%	0.061	C	C	.	.	S	Bend	trans	70	-44	176.7	-60.8	-175.7	0	0	0	117.1	E62 I66 R215 R257 V259	E62-L171 PolarHBondContact OE1-N 3.43Å; I66-L171 HydrophobicContact CD1-CD1 3.93Å; I66-L171 HydrophobicContact CD1-CD2 3.94Å; I66-L171 HydrophobicContact CD1-CG 3.71Å; I66-L171 HydrophobicContact CG1-CD2 3.74Å; I66-L171 HydrophobicContact CG1-CG 4.09Å; I66-L171 HydrophobicContact CG2-CD2 4.25Å; L171-R215 VanDerWaalsContact CA-NH2 3.28Å; L171-R215 PolarHBondContact O-NE 3.49Å; L171-R215 PolarHBondContact O-NH1 2.78Å; L171-R215 PolarHBondContact O-NH2 2.85Å; L171-R257 WeakPolarHBondContact CB-O 3.48Å; L171-R257 HydrophobicContact CD1-CB 4.46Å; L171-R257 HydrophobicContact CD1-CG 3.97Å; L171-V259 HydrophobicContact CD1-CB 4.36Å; L171-V259 HydrophobicContact CD1-CG2 3.72Å; L171-V259 HydrophobicContact CG-CG2 4.45Å
172	S	97.7	Very high	96.6	Very high	11 Å²	11	14.1 Å²	14.1	8%	0.077	8%	0.075	C	C	.	.	S	Bend	trans	-146.4	147.6	-179.6	51.4	0	0	0	0	112.2	L170 R255 G256 R257 R258	L170-S172 PolarHBondContact O-N 3.34Å; S172-R255 WeakPolarHBondContact OG-CG 3.33Å; S172-G256 PolarHBondContact OG-O 2.86Å; S172-R257 WeakPolarHBondContact CB-O 3.36Å; S172-R257 VanDerWaalsContact OG-C 3.3Å; S172-R257 PolarHBondContact OG-O 3.29Å; S172-R258 WeakPolarHBondContact OG-CA 3.26Å; S172-R258 WeakPolarHBondContact OG-CB 3.26Å
173	D	96.8	Very high	96.7	Very high	49 Å²	49	19.7 Å²	19.7	26%	0.262	10%	0.101	S	C	.	.			trans	-67.1	153.4	169.8	-54.6	-21	0	0	0	109.2	F212 I213 P214 R215 L253 R255	D173-F212 HydrophobicContact CB-CE2 3.73Å; D173-F212 HydrophobicContact CB-CZ 3.67Å; D173-F212 WeakPolarHBondContact OD2-CZ 3.44Å; D173-I213 CarbonylContact C-O 3.6Å; D173-I213 WeakPolarHBondContact CA-O 3.49Å; D173-P214 WeakPolarHBondContact OD1-CA 3.36Å; D173-R215 WeakPolarHBondContact OD1-CG 3.43Å; D173-R215 PolarHBondContact OD1-N 3.46Å; D173-L253 HydrophobicContact CB-CD1 3.79Å; D173-L253 HydrophobicContact CB-CD2 4.42Å; D173-R255 VanDerWaalsContact O-CG 3.28Å; D173-R255 WeakPolarHBondContact O-CG 3.31Å
174	S	97	Very high	96.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	169.6	-176.9	51.2	0	0	0	0	111.8	I213 R258	S174-I213 PolarHBondContact N-O 2.9Å; S174-I213 PolarHBondContact O-N 3.23Å; S174-R258 PolarHBondContact OG-NE 3.12Å
175	I	96.5	Very high	96.7	Very high	2 Å²	2	25 Å²	25	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.7	171.2	-56.4	-174.6	0	0	0	108.3	D210 V211 L234 V239 L250 Y251 L253	I175-D210 HydrophobicContact CG2-CB 3.69Å; I175-V211 WeakPolarHBondContact CA-O 3.35Å; I175-L234 HydrophobicContact CB-CB 4.44Å; I175-L234 HydrophobicContact CB-CD1 4.15Å; I175-L234 HydrophobicContact CB-CG 4.36Å; I175-L234 HydrophobicContact CG2-CD1 3.74Å; I175-L234 HydrophobicContact CG2-CG 4.24Å; I175-L234 PolarHBondContact O-N 2.94Å; I175-L234 VanDerWaalsContact O-N 3.11Å; I175-V239 HydrophobicContact CD1-CG1 4.21Å; I175-V239 HydrophobicContact CD1-CG2 3.83Å; I175-V239 HydrophobicContact CG1-CG2 4.4Å; I175-L250 HydrophobicContact CD1-CD1 4.39Å; I175-L250 HydrophobicContact CD1-CG 4.22Å; I175-Y251 HydrophobicContact CD1-CD1 3.49Å; I175-Y251 VanDerWaalsContact CD1-CD1 3.49Å; I175-Y251 HydrophobicContact CD1-CE1 3.9Å; I175-Y251 HydrophobicContact CD1-CG 4.47Å; I175-L253 HydrophobicContact CG1-CD2 3.93Å
176	L	97.3	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.2	169.9	173.7	69.5	0	0	0	108.3	L50 L178 D210 V211 I213 Y219 H231 A232 I233	L50-L176 HydrophobicContact CD1-CD2 4.43Å; L176-L178 HydrophobicContact CD1-CD2 4.39Å; L176-L178 HydrophobicContact CD2-CD1 4.44Å; L176-L178 HydrophobicContact CD2-CD2 4.29Å; L176-L178 HydrophobicContact CD2-CG 4.27Å; L176-L178 HydrophobicContact CG-CD2 4.31Å; L176-L178 HydrophobicContact CG-CG 4.24Å; L176-D210 CarbonylContact O-C 3.42Å; L176-D210 WeakPolarHBondContact O-CA 3.43Å; L176-V211 PolarHBondContact N-O 3.29Å; L176-V211 PolarHBondContact O-N 2.98Å; L176-I213 HydrophobicContact CB-CD1 4.03Å; L176-I213 HydrophobicContact CB-CG1 3.54Å; L176-I213 HydrophobicContact CD2-CD1 4.15Å; L176-I213 HydrophobicContact CD2-CG1 4.46Å; L176-Y219 HydrophobicContact CD1-CE2 4.46Å; L176-Y219 HydrophobicContact CD2-CD2 4.09Å; L176-Y219 HydrophobicContact CD2-CE2 4.08Å; L176-H231 HydrophobicContact CD1-CB 4.13Å; L176-A232 CarbonylContact C-O 3.56Å; L176-A232 WeakPolarHBondContact CA-O 3.33Å; L176-I233 HydrophobicContact CB-CD1 4.29Å; L176-I233 HydrophobicContact CD1-CD1 4.09Å
177	R	97.7	Very high	96.2	Very high	49 Å²	49	30.5 Å²	30.5	19%	0.185	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.4	168.7	176.5	165.3	-70.2	175.2	-0.9	109.3	W208 I209 D210 H231 A232 L234	R177-W208 HydrophobicContact CG-CB 4.08Å; R177-I209 WeakPolarHBondContact CA-O 3.29Å; R177-D210 VanDerWaalsContact CB-OD1 3.26Å; R177-D210 WeakPolarHBondContact CB-OD1 3.22Å; R177-D210 WeakPolarHBondContact CG-OD1 3.26Å; R177-D210 IonicContact CZ-OD1 3.25Å; R177-D210 IonicContact CZ-OD2 3.69Å; R177-D210 IonicContact NE-OD1 3.4Å; R177-D210 PolarHBondContact NE-OD1 3Å; R177-D210 IonicContact NE-OD2 2.82Å; R177-D210 IonicContact NH2-OD1 3.77Å; R177-D210 PolarHBondContact NH2-OD1 2.86Å; R177-D210 IonicContact NH2-OD2 2.76Å; R177-D210 PolarHBondContact NH2-OD2 2.91Å; R177-H231 CarbonylContact O-C 3.55Å; R177-H231 WeakPolarHBondContact O-CA 3.45Å; R177-A232 HydrophobicContact CB-CB 4.27Å; R177-A232 PolarHBondContact N-O 3.07Å; R177-A232 PolarHBondContact O-N 3.11Å; R177-L234 HydrophobicContact CB-CD2 3.85Å; R177-L234 HydrophobicContact CB-CG 4.24Å
178	L	97.9	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.6	168.7	-61.9	171.2	0	0	0	108.5	V46 L176 W208 I209 I221 L225 L229 T230 H231	V46-L178 HydrophobicContact CB-CD1 4.5Å; V46-L178 HydrophobicContact CG1-CD1 3.76Å; V46-L178 HydrophobicContact CG2-CD1 3.88Å; L176-L178 HydrophobicContact CD1-CD2 4.39Å; L176-L178 HydrophobicContact CD2-CD1 4.44Å; L176-L178 HydrophobicContact CD2-CD2 4.29Å; L176-L178 HydrophobicContact CD2-CG 4.27Å; L176-L178 HydrophobicContact CG-CD2 4.31Å; L176-L178 HydrophobicContact CG-CG 4.24Å; L178-W208 CarbonylContact O-C 3.58Å; L178-W208 WeakPolarHBondContact O-CA 3.23Å; L178-I209 HydrophobicContact CB-CG2 3.9Å; L178-I209 PolarHBondContact N-O 2.77Å; L178-I209 PolarHBondContact O-N 2.83Å; L178-I221 HydrophobicContact CD2-CD1 4.15Å; L178-L225 HydrophobicContact CD1-CD2 4.06Å; L178-L225 HydrophobicContact CD1-CG 4.3Å; L178-L229 HydrophobicContact CB-CD1 3.99Å; L178-L229 HydrophobicContact CD1-CD1 4.46Å; L178-T230 VanDerWaalsContact CA-O 3.28Å; L178-T230 WeakPolarHBondContact CA-O 3.29Å; L178-H231 HydrophobicContact CD2-CB 3.68Å
179	A	97.9	Very high	95.7	Very high	11 Å²	11	30.3 Å²	30.3	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.5	-179.3	0	0	0	0	0	111.8	A181 S207 W208 L229 T230	A179-A181 PolarHBondContact O-N 3.41Å; A179-S207 CarbonylContact C-O 3.55Å; A179-S207 VanDerWaalsContact CA-O 3.29Å; A179-S207 WeakPolarHBondContact CA-O 3.25Å; A179-W208 HydrophobicContact CB-CB 3.67Å; A179-L229 CarbonylContact O-C 3.55Å; A179-L229 WeakPolarHBondContact O-CA 3.27Å; A179-T230 PolarHBondContact N-O 3.08Å; A179-T230 PolarHBondContact O-N 2.99Å; A179-T230 PolarHBondContact O-OG1 3.12Å; A179-T230 VanDerWaalsContact O-OG1 3.11Å
180	V	97.9	Very high	95.5	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	117.2	177.9	-179.8	0	0	0	0	109	L42 L202 P203 I205 G206 S207 L229	L42-V180 HydrophobicContact CD1-CG2 4.35Å; V180-L202 HydrophobicContact CG2-CB 4.42Å; V180-P203 HydrophobicContact CG2-CG 3.92Å; V180-I205 HydrophobicContact CG1-CG1 4.32Å; V180-G206 PolarHBondContact O-N 3.21Å; V180-S207 PolarHBondContact N-O 2.9Å; V180-L229 HydrophobicContact CB-CD2 4.33Å; V180-L229 HydrophobicContact CG2-CD2 3.9Å
181	A	97.3	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67.6	142.5	-171.4	0	0	0	0	0	110.6	V155 A179 E185 V186 L228 T230	V155-A181 HydrophobicContact CG2-CB 4.06Å; A179-A181 PolarHBondContact O-N 3.41Å; A181-E185 HydrophobicContact CB-CB 4.27Å; A181-V186 HydrophobicContact CB-CG2 3.73Å; A181-L228 VanDerWaalsContact CB-O 3.29Å; A181-L228 WeakPolarHBondContact CB-O 3.16Å; A181-L228 PolarHBondContact N-O 2.89Å; A181-T230 HydrophobicContact CB-CG2 3.93Å
182	P	95.3	Very high	95	Very high	47 Å²	47	39.7 Å²	39.7	31%	0.305	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-65.1	153.9	166.9	30.8	-34.4	0	0	0	109.9	S184 E185 I205	P182-S184 PolarHBondContact O-N 2.86Å; P182-S184 VanDerWaalsContact O-N 3.08Å; P182-E185 HydrophobicContact CG-CB 4.17Å; P182-E185 HydrophobicContact CG-CG 3.62Å; P182-E185 PolarHBondContact O-N 3.33Å; P182-I205 HydrophobicContact CB-CG2 3.93Å
183	Q	93.4	Very high	94.7	Very high	118 Å²	118	40.8 Å²	40.8	55%	0.551	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-54.9	-33.9	-177.3	-62.3	-174.6	-24	0	0	112.8	E185 V186 I205 Y275	Q183-E185 PolarHBondContact O-N 3.37Å; Q183-V186 PolarHBondContact O-N 3.09Å; Q183-I205 HydrophobicContact CG-CD1 4.13Å; Q183-Y275 HydrophobicContact CB-CD2 3.76Å; Q183-Y275 HydrophobicContact CB-CE2 3.88Å; Q183-Y275 HydrophobicContact CB-CG 4.29Å; Q183-Y275 HydrophobicContact CG-CD1 4Å; Q183-Y275 HydrophobicContact CG-CD2 3.72Å; Q183-Y275 HydrophobicContact CG-CE1 3.94Å; Q183-Y275 HydrophobicContact CG-CE2 3.65Å; Q183-Y275 HydrophobicContact CG-CG 3.89Å
184	S	92.1	Very high	94.6	Very high	102 Å²	102	41.4 Å²	41.4	71%	0.713	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-62	-23.6	178	56.4	0	0	0	0	114.7	P182	P182-S184 PolarHBondContact O-N 2.86Å; P182-S184 VanDerWaalsContact O-N 3.08Å
185	E	92.2	Very high	94.4	Very high	78 Å²	78	49.3 Å²	49.3	36%	0.364	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-92.5	-17.5	179.7	-68	-71.7	159	0	0	112.2	V155 A181 P182 Q183 V187	V155-E185 HydrophobicContact CG2-CB 4.04Å; A181-E185 HydrophobicContact CB-CB 4.27Å; P182-E185 HydrophobicContact CG-CB 4.17Å; P182-E185 HydrophobicContact CG-CG 3.62Å; P182-E185 PolarHBondContact O-N 3.33Å; Q183-E185 PolarHBondContact O-N 3.37Å; E185-V187 PolarHBondContact O-N 3.26Å
186	V	93	Very high	94.2	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.067	28%	0.276	C	S	.	.			trans	-93.4	86.5	-178.3	-174.4	0	0	0	0	109.8	A181 Q183 L228 Y274 Y275	A181-V186 HydrophobicContact CB-CG2 3.73Å; Q183-V186 PolarHBondContact O-N 3.09Å; V186-L228 HydrophobicContact CG1-CD2 3.81Å; V186-L228 HydrophobicContact CG2-CD2 4.48Å; V186-Y274 HydrophobicContact CG1-CD1 4.18Å; V186-Y274 HydrophobicContact CG1-CG 4.22Å; V186-Y275 HydrophobicContact CB-CD2 4.23Å; V186-Y275 HydrophobicContact CB-CE2 3.74Å; V186-Y275 HydrophobicContact CG1-CE2 4.12Å; V186-Y275 HydrophobicContact CG2-CE2 3.9Å
187	V	89.5	Confident	94.1	Very high	109 Å²	109	54.5 Å²	54.5	66%	0.661	28%	0.276	S	S	*	.			trans	-70.2	-32.1	-177.2	-179	0	0	0	0	112.6	V158 E185	V158-V187 HydrophobicContact CG2-CB 4.18Å; V158-V187 HydrophobicContact CG2-CG1 4.04Å; E185-V187 PolarHBondContact O-N 3.26Å
188	G	92.1	Very high	93.8	Very high	3 Å²	3	56.8 Å²	56.8	3%	0.031	29%	0.292	C	S	.	.			trans	172.8	165.2	179.4	0	0	0	0	0	112.6	I272	G188-I272 CarbonylContact C-O 3.58Å; G188-I272 WeakPolarHBondContact CA-O 3.41Å
189	V	93.6	Very high	93.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.4	179.1	-66.3	0	0	0	0	110.5	Q191 Y194 L197 Y227 L228 L271 I272 Y274	V189-Q191 PolarHBondContact O-N 2.57Å; V189-Y194 HydrophobicContact CG2-CD2 3.74Å; V189-L197 HydrophobicContact CB-CD1 3.71Å; V189-L197 HydrophobicContact CG1-CD1 3.6Å; V189-L197 HydrophobicContact CG2-CD1 4.36Å; V189-Y227 HydrophobicContact CG1-CG 4.42Å; V189-L228 HydrophobicContact CG1-CD2 4.02Å; V189-L271 CarbonylContact O-C 3.55Å; V189-L271 WeakPolarHBondContact O-CA 3.39Å; V189-I272 HydrophobicContact CG2-CG1 4.24Å; V189-I272 PolarHBondContact N-O 3.22Å; V189-I272 PolarHBondContact O-N 3.23Å; V189-Y274 HydrophobicContact CB-CD2 4.43Å; V189-Y274 HydrophobicContact CG1-CD2 3.78Å; V189-Y274 HydrophobicContact CG1-CG 4.06Å; V189-Y274 HydrophobicContact CG2-CD2 3.78Å; V189-Y274 HydrophobicContact CG2-CG 4.44Å
190	P	93.4	Very high	93.5	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	128.6	169.4	-11.3	15	0	0	0	110.4	E163 D192 Q193 Y194 Y227 I268	E163-P190 HydrophobicContact CG-CG 4.49Å; P190-D192 VanDerWaalsContact CB-OD1 3.25Å; P190-D192 WeakPolarHBondContact CB-OD1 3.32Å; P190-D192 PolarHBondContact O-N 2.97Å; P190-Q193 HydrophobicContact CB-CB 4.09Å; P190-Q193 HydrophobicContact CB-CG 3.94Å; P190-Q193 HydrophobicContact CG-CB 4.16Å; P190-Q193 HydrophobicContact CG-CG 4Å; P190-Q193 PolarHBondContact O-N 3.1Å; P190-Y194 PolarHBondContact O-N 2.82Å; P190-Y227 HydrophobicContact CG-CD2 4.3Å; P190-Y227 HydrophobicContact CG-CE2 3.61Å; P190-I268 HydrophobicContact CB-CD1 3.49Å; P190-I268 VanDerWaalsContact CB-CD1 3.49Å; P190-I268 HydrophobicContact CG-CD1 3.4Å; P190-I268 VanDerWaalsContact CG-CD1 3.4Å
191	Q	93.2	Very high	93.3	Very high	124 Å²	124	67 Å²	67	58%	0.579	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-54.4	-39.9	-178.7	179.2	176.9	-15.4	0	0	112.8	V189 Q193 Y194 N270 I272	V189-Q191 PolarHBondContact O-N 2.57Å; Q191-Q193 PolarHBondContact O-N 2.71Å; Q191-Y194 WeakPolarHBondContact O-CB 3.26Å; Q191-Y194 PolarHBondContact O-N 3.27Å; Q191-N270 WeakPolarHBondContact CB-O 3.33Å; Q191-N270 PolarHBondContact N-O 3.35Å; Q191-I272 HydrophobicContact CB-CD1 4.26Å; Q191-I272 HydrophobicContact CB-CG1 4.32Å; Q191-I272 HydrophobicContact CB-CG2 4.08Å; Q191-I272 HydrophobicContact CG-CD1 4.17Å; Q191-I272 HydrophobicContact CG-CG2 4.34Å
192	D	92.5	Very high	93.2	Very high	113 Å²	113	68.7 Å²	68.7	60%	0.604	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-71.1	-16.5	179	60.1	-54.6	0	0	0	113.5	P190 N270	P190-D192 VanDerWaalsContact CB-OD1 3.25Å; P190-D192 WeakPolarHBondContact CB-OD1 3.32Å; P190-D192 PolarHBondContact O-N 2.97Å; D192-N270 PolarHBondContact OD1-ND2 2.9Å
193	Q	92.5	Very high	93.2	Very high	35 Å²	35	67.2 Å²	67.2	16%	0.164	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-98.4	-9.7	174.7	-61.9	-171.8	31.3	0	0	113	E163 P190 Q191 E195 Y196 L197	E163-Q193 PolarHBondContact OE1-NE2 2.97Å; P190-Q193 HydrophobicContact CB-CB 4.09Å; P190-Q193 HydrophobicContact CB-CG 3.94Å; P190-Q193 HydrophobicContact CG-CB 4.16Å; P190-Q193 HydrophobicContact CG-CG 4Å; P190-Q193 PolarHBondContact O-N 3.1Å; Q191-Q193 PolarHBondContact O-N 2.71Å; Q193-E195 PolarHBondContact O-N 3.07Å; Q193-Y196 PolarHBondContact O-N 3.22Å; Q193-L197 HydrophobicContact CB-CD1 3.88Å; Q193-L197 HydrophobicContact CB-CG 4.12Å; Q193-L197 WeakPolarHBondContact O-CB 3.24Å; Q193-L197 VanDerWaalsContact O-CG 3.23Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 2.89Å
194	Y	93.5	Very high	93.4	Very high	62 Å²	62	66.2 Å²	66.2	24%	0.243	36%	0.355	C	S	.	.	H	α-helix	trans	-55	-50.7	-170.6	-177.2	-89	0	0	0	113.4	V189 P190 Q191 Y196 L197 N198 I272 Y274	V189-Y194 HydrophobicContact CG2-CD2 3.74Å; P190-Y194 PolarHBondContact O-N 2.82Å; Q191-Y194 WeakPolarHBondContact O-CB 3.26Å; Q191-Y194 PolarHBondContact O-N 3.27Å; Y194-Y196 PolarHBondContact O-N 3.02Å; Y194-L197 PolarHBondContact O-N 2.86Å; Y194-N198 HydrophobicContact CE1-CB 4.39Å; Y194-N198 VanDerWaalsContact O-CB 3.26Å; Y194-N198 WeakPolarHBondContact O-CB 3.48Å; Y194-N198 PolarHBondContact O-N 3.07Å; Y194-I272 HydrophobicContact CD2-CD1 3.49Å; Y194-I272 VanDerWaalsContact CD2-CD1 3.49Å; Y194-I272 HydrophobicContact CD2-CG1 4.04Å; Y194-I272 HydrophobicContact CE2-CD1 4.21Å; Y194-I272 HydrophobicContact CG-CD1 3.77Å; Y194-Y274 HydrophobicContact CD2-CD2 4.29Å; Y194-Y274 HydrophobicContact CE2-CD2 4.19Å
195	E	93.6	Very high	93.6	Very high	166 Å²	166	65.8 Å²	65.8	78%	0.776	34%	0.344	S	S	*	.	H	α-helix	trans	-61.2	-44.8	-178.5	-66.4	-177.7	175	0	0	111.8	Q193 N198 S199	Q193-E195 PolarHBondContact O-N 3.07Å; E195-N198 PolarHBondContact O-N 2.75Å; E195-S199 WeakPolarHBondContact O-CB 3.37Å; E195-S199 PolarHBondContact O-N 2.98Å
196	Y	93.2	Very high	93.8	Very high	112 Å²	112	64.2 Å²	64.2	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-48.9	177	169.4	-105.7	0	0	0	111.1	Q193 Y194 N198 S199 L200	Q193-Y196 PolarHBondContact O-N 3.22Å; Y194-Y196 PolarHBondContact O-N 3.02Å; Y196-N198 PolarHBondContact O-N 3.16Å; Y196-S199 WeakPolarHBondContact O-CB 3.4Å; Y196-S199 PolarHBondContact O-N 3.06Å; Y196-S199 VanDerWaalsContact O-N 3.14Å; Y196-S199 PolarHBondContact O-OG 3.24Å; Y196-L200 HydrophobicContact CE1-CD1 4.46Å; Y196-L200 HydrophobicContact CE2-CD2 4.32Å
197	L	93.8	Very high	94	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-42.8	-179.1	-69.5	178.4	0	0	0	111.7	V189 Q193 Y194 S199 L200 A224 L228 Y274	V189-L197 HydrophobicContact CB-CD1 3.71Å; V189-L197 HydrophobicContact CG1-CD1 3.6Å; V189-L197 HydrophobicContact CG2-CD1 4.36Å; Q193-L197 HydrophobicContact CB-CD1 3.88Å; Q193-L197 HydrophobicContact CB-CG 4.12Å; Q193-L197 WeakPolarHBondContact O-CB 3.24Å; Q193-L197 VanDerWaalsContact O-CG 3.23Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 2.89Å; Y194-L197 PolarHBondContact O-N 2.86Å; L197-S199 PolarHBondContact O-N 3.39Å; L197-L200 HydrophobicContact CD2-CD1 4.16Å; L197-L200 WeakPolarHBondContact O-CB 3.17Å; L197-L200 WeakPolarHBondContact O-CG 3.47Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-A224 HydrophobicContact CD2-CB 3.67Å; L197-L228 HydrophobicContact CB-CD1 4.1Å; L197-L228 HydrophobicContact CD2-CD1 4.17Å; L197-Y274 HydrophobicContact CB-CE2 3.89Å; L197-Y274 PolarHBondContact O-OH 3.43Å
198	N	92.9	Very high	94.4	Very high	96 Å²	96	62.5 Å²	62.5	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-69.5	-21	177.5	-167.5	59.7	0	0	0	113.1	Y194 E195 Y196 L200 Y274	Y194-N198 HydrophobicContact CE1-CB 4.39Å; Y194-N198 VanDerWaalsContact O-CB 3.26Å; Y194-N198 WeakPolarHBondContact O-CB 3.48Å; Y194-N198 PolarHBondContact O-N 3.07Å; E195-N198 PolarHBondContact O-N 2.75Å; Y196-N198 PolarHBondContact O-N 3.16Å; N198-L200 VanDerWaalsContact C-N 3.3Å; N198-Y274 WeakPolarHBondContact CA-OH 3.19Å; N198-Y274 HydrophobicContact CB-CE2 4.4Å
199	S	94	Very high	94.6	Very high	87 Å²	87	62.4 Å²	62.4	61%	0.608	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.8	174.8	79.2	0	0	0	0	114	E195 Y196 L197 D201	E195-S199 WeakPolarHBondContact O-CB 3.37Å; E195-S199 PolarHBondContact O-N 2.98Å; Y196-S199 WeakPolarHBondContact O-CB 3.4Å; Y196-S199 PolarHBondContact O-N 3.06Å; Y196-S199 VanDerWaalsContact O-N 3.14Å; Y196-S199 PolarHBondContact O-OG 3.24Å; L197-S199 PolarHBondContact O-N 3.39Å; S199-D201 PolarHBondContact O-N 3.19Å
200	L	94	Very high	94.7	Very high	34 Å²	34	62.4 Å²	62.4	18%	0.178	33%	0.329	C	S	.	.			trans	-74	127.1	-178.4	-63.5	174	0	0	0	111.2	T45 Y196 L197 N198 L202 A224	T45-L200 HydrophobicContact CG2-CD1 4.22Å; Y196-L200 HydrophobicContact CE1-CD1 4.46Å; Y196-L200 HydrophobicContact CE2-CD2 4.32Å; L197-L200 HydrophobicContact CD2-CD1 4.16Å; L197-L200 WeakPolarHBondContact O-CB 3.17Å; L197-L200 WeakPolarHBondContact O-CG 3.47Å; L197-L200 PolarHBondContact O-N 2.95Å; N198-L200 VanDerWaalsContact C-N 3.3Å; L200-L202 HydrophobicContact CB-CG 4.12Å; L200-L202 PolarHBondContact O-N 3.12Å; L200-A224 HydrophobicContact CD1-CB 3.35Å
201	D	94.2	Very high	94.8	Very high	110 Å²	110	62.7 Å²	62.7	59%	0.588	33%	0.331	S	S	*	.			trans	-77.8	65.4	173.8	-174.1	16.6	0	0	0	110.9	N41 S199	N41-D201 WeakPolarHBondContact CB-O 3.48Å; N41-D201 PolarHBondContact ND2-OD2 2.87Å; S199-D201 PolarHBondContact O-N 3.19Å
202	L	95.1	Very high	94.9	Very high	35 Å²	35	58.8 Å²	58.8	18%	0.183	31%	0.312	C	S	.	.			trans	-72	138.8	178	-69.3	178	0	0	0	110.7	L42 T45 V180 L200 L228	L42-L202 HydrophobicContact CD1-CD2 4.44Å; T45-L202 HydrophobicContact CG2-CD2 4.03Å; V180-L202 HydrophobicContact CG2-CB 4.42Å; L200-L202 HydrophobicContact CB-CG 4.12Å; L200-L202 PolarHBondContact O-N 3.12Å; L202-L228 HydrophobicContact CD1-CB 4.13Å; L202-L228 HydrophobicContact CD1-CD1 3.86Å
203	P	96.4	Very high	95.1	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.104	28%	0.283	C	S	.	.			trans	-67.5	174.6	173.5	33	-38.6	0	0	0	111.6	H39 L42 V180 S207	H39-P203 HydrophobicContact CB-CB 4.02Å; H39-P203 HydrophobicContact CB-CG 3.92Å; L42-P203 HydrophobicContact CB-CG 3.92Å; L42-P203 HydrophobicContact CD2-CG 4.36Å; V180-P203 HydrophobicContact CG2-CG 3.92Å; P203-S207 VanDerWaalsContact CG-CB 3.42Å
204	P	96.6	Very high	95.3	Very high	97 Å²	97	52.4 Å²	52.4	63%	0.63	28%	0.28	S	S	*	.	S	Bend	trans	-50.3	151.9	178.1	-29.1	36.4	0	0	0	114	G206 S207	P204-G206 PolarHBondContact O-N 3.27Å; P204-S207 WeakPolarHBondContact O-CB 2.7Å; P204-S207 PolarHBondContact O-N 3.22Å; P204-S207 PolarHBondContact O-OG 3.25Å; P204-S207 VanDerWaalsContact O-OG 3.12Å
205	I	96.6	Very high	95.4	Very high	94 Å²	94	53 Å²	53	48%	0.482	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	135.6	175.2	-68.2	170.2	0	0	0	110.3	V180 P182 Q183 S207	V180-I205 HydrophobicContact CG1-CG1 4.32Å; P182-I205 HydrophobicContact CB-CG2 3.93Å; Q183-I205 HydrophobicContact CG-CD1 4.13Å; I205-S207 VanDerWaalsContact C-N 3.29Å; I205-S207 PolarHBondContact O-N 2.93Å
206	G	96.3	Very high	95.6	Very high	45 Å²	45	47.4 Å²	47.4	46%	0.464	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-10.5	-177	0	0	0	0	0	115	V180 P204 W208	V180-G206 PolarHBondContact O-N 3.21Å; P204-G206 PolarHBondContact O-N 3.27Å; G206-W208 PolarHBondContact O-N 2.64Å
207	S	97.7	Very high	95.8	Very high	12 Å²	12	42 Å²	42	8%	0.084	23%	0.233	C	C	.	.			trans	-60.4	133	167.5	-76.9	0	0	0	0	110.7	H39 A179 V180 P203 P204 I205	H39-S207 VanDerWaalsContact CD2-CB 3.43Å; H39-S207 WeakPolarHBondContact CD2-CB 3.19Å; H39-S207 PolarHBondContact CD2-OG 3.27Å; H39-S207 PolarHBondContact CE1-OG 2.78Å; H39-S207 WeakPolarHBondContact NE2-CB 3.41Å; H39-S207 PolarHBondContact NE2-OG 3.15Å; A179-S207 CarbonylContact C-O 3.55Å; A179-S207 VanDerWaalsContact CA-O 3.29Å; A179-S207 WeakPolarHBondContact CA-O 3.25Å; V180-S207 PolarHBondContact N-O 2.9Å; P203-S207 VanDerWaalsContact CG-CB 3.42Å; P204-S207 WeakPolarHBondContact O-CB 2.7Å; P204-S207 PolarHBondContact O-N 3.22Å; P204-S207 PolarHBondContact O-OG 3.25Å; P204-S207 VanDerWaalsContact O-OG 3.12Å; I205-S207 VanDerWaalsContact C-N 3.29Å; I205-S207 PolarHBondContact O-N 2.93Å
208	W	97.4	Very high	96	Very high	71 Å²	71	42 Å²	42	27%	0.269	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162.4	-168.6	59.8	-97.7	0	0	0	114.4	S37 R177 L178 A179 G206 D210	S37-W208 WeakPolarHBondContact CB-O 3.26Å; S37-W208 PolarHBondContact OG-O 2.9Å; R177-W208 HydrophobicContact CG-CB 4.08Å; L178-W208 CarbonylContact O-C 3.58Å; L178-W208 WeakPolarHBondContact O-CA 3.23Å; A179-W208 HydrophobicContact CB-CB 3.67Å; G206-W208 PolarHBondContact O-N 2.64Å; W208-D210 HydrophobicContact CE3-CB 4.43Å; W208-D210 HydrophobicContact CZ3-CB 4.07Å; W208-D210 WeakPolarHBondContact CZ3-OD2 3.33Å
209	I	96.1	Very high	96.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.6	168.6	-179.5	169.5	0	0	0	109.5	C35 N36 L42 I43 V46 R177 L178 V211	C35-I209 HydrophobicContact CB-CD1 4.18Å; C35-I209 HydrophobicContact CB-CG1 4.3Å; N36-I209 CarbonylContact O-C 3.42Å; N36-I209 WeakPolarHBondContact O-CA 3.47Å; L42-I209 HydrophobicContact CD2-CB 4.1Å; L42-I209 HydrophobicContact CD2-CG2 3.98Å; L42-I209 HydrophobicContact CG-CB 4.3Å; L42-I209 HydrophobicContact CG-CG2 3.94Å; I43-I209 HydrophobicContact CB-CD1 4.44Å; I43-I209 HydrophobicContact CG1-CD1 3.97Å; V46-I209 HydrophobicContact CB-CD1 4.36Å; V46-I209 HydrophobicContact CB-CG2 4.25Å; V46-I209 HydrophobicContact CG1-CD1 4.37Å; V46-I209 HydrophobicContact CG1-CG2 4.34Å; V46-I209 HydrophobicContact CG2-CG2 3.65Å; R177-I209 WeakPolarHBondContact CA-O 3.29Å; L178-I209 HydrophobicContact CB-CG2 3.9Å; L178-I209 PolarHBondContact N-O 2.77Å; L178-I209 PolarHBondContact O-N 2.83Å; I209-V211 HydrophobicContact CD1-CG2 4.5Å; I209-V211 HydrophobicContact CG1-CG2 4.21Å
210	D	96.2	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.4	171.6	-72	-17.7	0	0	0	109.8	C35 N36 I175 L176 R177 W208 L250 Y251	C35-D210 CarbonylContact C-O 3.56Å; C35-D210 WeakPolarHBondContact CA-O 3.38Å; C35-D210 WeakPolarHBondContact CB-O 3.26Å; N36-D210 PolarHBondContact N-O 2.88Å; N36-D210 PolarHBondContact O-N 3.26Å; I175-D210 HydrophobicContact CG2-CB 3.69Å; L176-D210 CarbonylContact O-C 3.42Å; L176-D210 WeakPolarHBondContact O-CA 3.43Å; R177-D210 VanDerWaalsContact CB-OD1 3.26Å; R177-D210 WeakPolarHBondContact CB-OD1 3.22Å; R177-D210 WeakPolarHBondContact CG-OD1 3.26Å; R177-D210 IonicContact CZ-OD1 3.25Å; R177-D210 IonicContact CZ-OD2 3.69Å; R177-D210 IonicContact NE-OD1 3.4Å; R177-D210 PolarHBondContact NE-OD1 3Å; R177-D210 IonicContact NE-OD2 2.82Å; R177-D210 IonicContact NH2-OD1 3.77Å; R177-D210 PolarHBondContact NH2-OD1 2.86Å; R177-D210 IonicContact NH2-OD2 2.76Å; R177-D210 PolarHBondContact NH2-OD2 2.91Å; W208-D210 HydrophobicContact CE3-CB 4.43Å; W208-D210 HydrophobicContact CZ3-CB 4.07Å; W208-D210 WeakPolarHBondContact CZ3-OD2 3.33Å; D210-L250 HydrophobicContact CB-CD2 3.89Å; D210-Y251 HydrophobicContact CB-CE1 4.35Å; D210-Y251 VanDerWaalsContact OD2-CE1 3.27Å; D210-Y251 WeakPolarHBondContact OD2-CE1 3.28Å; D210-Y251 PolarHBondContact OD2-OH 2.67Å
211	V	95.3	Very high	96.1	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.7	-178.7	-175	0	0	0	0	109.2	T33 C35 V46 L50 I175 L176 I209 I213	T33-V211 WeakPolarHBondContact OG1-CG1 3.37Å; C35-V211 HydrophobicContact CB-CG2 4.23Å; V46-V211 HydrophobicContact CG1-CG2 4.43Å; L50-V211 HydrophobicContact CD2-CB 4.46Å; L50-V211 HydrophobicContact CD2-CG1 3.9Å; L50-V211 HydrophobicContact CD2-CG2 4.19Å; I175-V211 WeakPolarHBondContact CA-O 3.35Å; L176-V211 PolarHBondContact N-O 3.29Å; L176-V211 PolarHBondContact O-N 2.98Å; I209-V211 HydrophobicContact CD1-CG2 4.5Å; I209-V211 HydrophobicContact CG1-CG2 4.21Å; V211-I213 HydrophobicContact CG1-CD1 4.09Å; V211-I213 PolarHBondContact O-N 2.83Å
212	F	95.5	Very high	96	Very high	42 Å²	42	28.6 Å²	28.6	18%	0.184	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.8	172.2	-177.9	-105.1	0	0	0	110.6	T33 K34 D173 P214 L250 L253	T33-F212 WeakPolarHBondContact CB-O 3.5Å; T33-F212 HydrophobicContact CG2-CD1 4.13Å; T33-F212 WeakPolarHBondContact CG2-O 3.35Å; T33-F212 PolarHBondContact OG1-O 3.16Å; K34-F212 HydrophobicContact CB-CB 4.25Å; K34-F212 WeakPolarHBondContact O-CB 3.28Å; K34-F212 PolarHBondContact O-N 3.45Å; D173-F212 HydrophobicContact CB-CE2 3.73Å; D173-F212 HydrophobicContact CB-CZ 3.67Å; D173-F212 WeakPolarHBondContact OD2-CZ 3.44Å; F212-P214 HydrophobicContact CD1-CB 4.48Å; F212-P214 HydrophobicContact CD1-CG 4.46Å; F212-P214 HydrophobicContact CE1-CB 3.8Å; F212-P214 HydrophobicContact CE1-CG 4.23Å; F212-P214 HydrophobicContact CZ-CB 4.47Å; F212-L250 HydrophobicContact CB-CD1 3.47Å; F212-L250 VanDerWaalsContact CB-CD1 3.47Å; F212-L250 HydrophobicContact CD2-CD1 4.35Å; F212-L250 HydrophobicContact CG-CD1 4.36Å; F212-L253 HydrophobicContact CE2-CD2 4.38Å
213	I	96.4	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	101.8	176.9	-56.1	-56.8	0	0	0	108.2	L52 S169 D173 S174 L176 V211 Y219	L52-I213 HydrophobicContact CD1-CD1 4.21Å; S169-I213 WeakPolarHBondContact OG-CG2 3.49Å; D173-I213 CarbonylContact C-O 3.6Å; D173-I213 WeakPolarHBondContact CA-O 3.49Å; S174-I213 PolarHBondContact N-O 2.9Å; S174-I213 PolarHBondContact O-N 3.23Å; L176-I213 HydrophobicContact CB-CD1 4.03Å; L176-I213 HydrophobicContact CB-CG1 3.54Å; L176-I213 HydrophobicContact CD2-CD1 4.15Å; L176-I213 HydrophobicContact CD2-CG1 4.46Å; V211-I213 HydrophobicContact CG1-CD1 4.09Å; V211-I213 PolarHBondContact O-N 2.83Å; I213-Y219 HydrophobicContact CD1-CD1 4.03Å; I213-Y219 HydrophobicContact CD1-CG 4.25Å; I213-Y219 HydrophobicContact CG1-CD1 4.21Å; I213-Y219 HydrophobicContact CG1-CE1 4.47Å; I213-Y219 HydrophobicContact CG2-CD1 3.69Å; I213-Y219 HydrophobicContact CG2-CE1 4.06Å
214	P	95.7	Very high	95.7	Very high	15 Å²	15	27 Å²	27	10%	0.097	15%	0.146	C	C	.	.			trans	-67.7	151.2	176.5	22.7	-26.6	0	0	0	110.6	T33 Q54 D173 F212 S217	T33-P214 HydrophobicContact CG2-CG 4.34Å; Q54-P214 HydrophobicContact CG-CG 3.94Å; D173-P214 WeakPolarHBondContact OD1-CA 3.36Å; F212-P214 HydrophobicContact CD1-CB 4.48Å; F212-P214 HydrophobicContact CD1-CG 4.46Å; F212-P214 HydrophobicContact CE1-CB 3.8Å; F212-P214 HydrophobicContact CE1-CG 4.23Å; F212-P214 HydrophobicContact CZ-CB 4.47Å; P214-S217 VanDerWaalsContact O-CB 3.28Å; P214-S217 WeakPolarHBondContact O-CB 3.38Å; P214-S217 PolarHBondContact O-N 3.36Å; P214-S217 PolarHBondContact O-OG 3.22Å
215	R	97.1	Very high	95.7	Very high	74 Å²	74	22.5 Å²	22.5	28%	0.279	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	157.9	165.2	70.8	-174.2	-62	-177.9	-3.3	110.2	E62 S169 L171 D173 S217	E62-R215 IonicContact OE1-CZ 3.14Å; E62-R215 IonicContact OE1-NE 2.66Å; E62-R215 PolarHBondContact OE1-NE 3.16Å; E62-R215 IonicContact OE1-NH2 2.69Å; E62-R215 PolarHBondContact OE1-NH2 2.88Å; E62-R215 IonicContact OE2-CZ 3.54Å; E62-R215 IonicContact OE2-NE 3.4Å; E62-R215 PolarHBondContact OE2-NE 2.66Å; E62-R215 IonicContact OE2-NH2 2.76Å; E62-R215 PolarHBondContact OE2-NH2 2.8Å; S169-R215 CarbonylContact O-C 3.56Å; L171-R215 VanDerWaalsContact CA-NH2 3.28Å; L171-R215 PolarHBondContact O-NE 3.49Å; L171-R215 PolarHBondContact O-NH1 2.78Å; L171-R215 PolarHBondContact O-NH2 2.85Å; D173-R215 WeakPolarHBondContact OD1-CG 3.43Å; D173-R215 PolarHBondContact OD1-N 3.46Å; R215-S217 PolarHBondContact O-N 3.14Å
216	R	97.9	Very high	95.6	Very high	48 Å²	48	18.2 Å²	18.2	18%	0.181	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	12.9	-173	-55.4	-177.2	-63.9	-85.9	-2.6	114.9	D55 F56 V57 E62 S169	D55-R216 CarbonylContact C-O 3.51Å; F56-R216 WeakPolarHBondContact CB-O 3.27Å; F56-R216 PolarHBondContact N-O 3.03Å; V57-R216 HydrophobicContact CG2-CB 3.54Å; V57-R216 HydrophobicContact CG2-CG 3.73Å; V57-R216 PolarHBondContact N-O 2.88Å; V57-R216 WeakPolarHBondContact O-CB 3.39Å; V57-R216 WeakPolarHBondContact O-CD 3.19Å; E62-R216 HydrophobicContact CB-CG 4.14Å; E62-R216 HydrophobicContact CG-CG 4.35Å; E62-R216 WeakPolarHBondContact OE2-CD 3.21Å; E62-R216 WeakPolarHBondContact OE2-CG 3.27Å; E62-R216 IonicContact OE2-NH1 3.54Å; E62-R216 PolarHBondContact OE2-NH1 3.22Å; S169-R216 WeakPolarHBondContact O-CA 3.37Å; S169-R216 PolarHBondContact O-N 2.7Å
217	S	97	Very high	95.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.			trans	-99.9	156.6	175.4	74.3	0	0	0	0	112.2	K53 L168 S169 P214 R215	K53-S217 CarbonylContact O-C 3.55Å; K53-S217 WeakPolarHBondContact O-CA 3.49Å; K53-S217 WeakPolarHBondContact O-CB 3.49Å; L168-S217 CarbonylContact C-O 3.56Å; L168-S217 WeakPolarHBondContact CA-O 3.15Å; S169-S217 PolarHBondContact N-O 3.45Å; P214-S217 VanDerWaalsContact O-CB 3.28Å; P214-S217 WeakPolarHBondContact O-CB 3.38Å; P214-S217 PolarHBondContact O-N 3.36Å; P214-S217 PolarHBondContact O-OG 3.22Å; R215-S217 PolarHBondContact O-N 3.14Å
218	V	96.9	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126	164.7	170.4	0	0	0	0	108.4	L52 K53 F56 L110 T113 A166 V167 L168 I220	L52-V218 WeakPolarHBondContact CA-O 3.47Å; K53-V218 PolarHBondContact N-O 3.49Å; K53-V218 PolarHBondContact O-N 2.65Å; F56-V218 HydrophobicContact CB-CB 4.31Å; F56-V218 HydrophobicContact CB-CG2 3.86Å; F56-V218 HydrophobicContact CD1-CB 4.42Å; F56-V218 HydrophobicContact CD1-CG2 3.3Å; F56-V218 HydrophobicContact CD2-CB 4.15Å; F56-V218 HydrophobicContact CD2-CG2 3.84Å; F56-V218 HydrophobicContact CE1-CG2 3.71Å; F56-V218 HydrophobicContact CE2-CG2 4.19Å; F56-V218 HydrophobicContact CG-CB 4.04Å; F56-V218 HydrophobicContact CG-CG2 3.37Å; F56-V218 HydrophobicContact CZ-CG2 4.12Å; L110-V218 HydrophobicContact CD1-CG1 3.93Å; L110-V218 HydrophobicContact CD1-CG2 3.77Å; T113-V218 HydrophobicContact CG2-CG1 4.29Å; A166-V218 HydrophobicContact CB-CG1 4.16Å; V167-V218 WeakPolarHBondContact O-CA 3.28Å; L168-V218 HydrophobicContact CB-CG2 3.85Å; L168-V218 HydrophobicContact CD1-CG2 3.82Å; L168-V218 HydrophobicContact CG-CG2 4.42Å; V218-I220 HydrophobicContact CG1-CG1 4.09Å
219	Y	95.7	Very high	95.5	Very high	9 Å²	9	12.2 Å²	12.2	4%	0.035	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.5	163.3	69.2	-95.6	0	0	0	110.6	I51 A166 V167 L176 I213 I221	I51-Y219 CarbonylContact O-C 3.6Å; I51-Y219 WeakPolarHBondContact O-CA 3.27Å; A166-Y219 WeakPolarHBondContact CA-O 3.25Å; V167-Y219 HydrophobicContact CB-CD1 4.04Å; V167-Y219 HydrophobicContact CB-CD2 4.22Å; V167-Y219 HydrophobicContact CB-CE1 3.56Å; V167-Y219 HydrophobicContact CB-CE2 3.73Å; V167-Y219 HydrophobicContact CB-CG 4.36Å; V167-Y219 HydrophobicContact CG1-CD1 4.44Å; V167-Y219 HydrophobicContact CG1-CE1 3.63Å; V167-Y219 HydrophobicContact CG1-CE2 4.47Å; V167-Y219 HydrophobicContact CG2-CD2 4.37Å; V167-Y219 HydrophobicContact CG2-CE1 4.3Å; V167-Y219 HydrophobicContact CG2-CE2 3.63Å; V167-Y219 PolarHBondContact N-O 2.9Å; V167-Y219 PolarHBondContact O-N 3.49Å; L176-Y219 HydrophobicContact CD1-CE2 4.46Å; L176-Y219 HydrophobicContact CD2-CD2 4.09Å; L176-Y219 HydrophobicContact CD2-CE2 4.08Å; I213-Y219 HydrophobicContact CD1-CD1 4.03Å; I213-Y219 HydrophobicContact CD1-CG 4.25Å; I213-Y219 HydrophobicContact CG1-CD1 4.21Å; I213-Y219 HydrophobicContact CG1-CE1 4.47Å; I213-Y219 HydrophobicContact CG2-CD1 3.69Å; I213-Y219 HydrophobicContact CG2-CE1 4.06Å; Y219-I221 HydrophobicContact CD2-CD1 4.16Å; Y219-I221 HydrophobicContact CD2-CG1 3.99Å; Y219-I221 HydrophobicContact CE2-CD1 3.76Å; Y219-I221 HydrophobicContact CE2-CG1 4.08Å
220	I	95.1	Very high	95.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.3	-179.5	-38.2	172	0	0	0	109.3	I51 T113 S117 I165 A166 V218 R222	I51-I220 HydrophobicContact CB-CB 4.08Å; I51-I220 HydrophobicContact CB-CD1 3.94Å; I51-I220 HydrophobicContact CB-CG1 4.11Å; I51-I220 HydrophobicContact CD1-CD1 4.3Å; I51-I220 HydrophobicContact CG2-CD1 3.82Å; I51-I220 HydrophobicContact CG2-CG1 4.31Å; I51-I220 PolarHBondContact N-O 3.48Å; I51-I220 PolarHBondContact O-N 2.87Å; T113-I220 HydrophobicContact CG2-CD1 3.34Å; T113-I220 HydrophobicContact CG2-CG1 4.17Å; S117-I220 WeakPolarHBondContact OG-CD1 3.44Å; I165-I220 CarbonylContact O-C 3.58Å; I165-I220 VanDerWaalsContact O-CA 3.24Å; I165-I220 WeakPolarHBondContact O-CA 3.21Å; I165-I220 WeakPolarHBondContact O-CG2 3.43Å; A166-I220 HydrophobicContact CB-CG1 4.28Å; A166-I220 HydrophobicContact CB-CG2 4.35Å; V218-I220 HydrophobicContact CG1-CG1 4.09Å; I220-R222 HydrophobicContact CG2-CG 3.96Å
221	I	93.6	Very high	95.6	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.2	177.1	-65.5	179.4	0	0	0	108	L50 I165 L178 Y219 L225 R226 H231	L50-I221 HydrophobicContact CD1-CG1 4.31Å; I165-I221 PolarHBondContact N-O 3.44Å; I165-I221 PolarHBondContact O-N 3.24Å; L178-I221 HydrophobicContact CD2-CD1 4.15Å; Y219-I221 HydrophobicContact CD2-CD1 4.16Å; Y219-I221 HydrophobicContact CD2-CG1 3.99Å; Y219-I221 HydrophobicContact CE2-CD1 3.76Å; Y219-I221 HydrophobicContact CE2-CG1 4.08Å; I221-L225 HydrophobicContact CG2-CB 3.76Å; I221-L225 VanDerWaalsContact CG2-O 3.24Å; I221-L225 WeakPolarHBondContact CG2-O 3.42Å; I221-R226 VanDerWaalsContact CG2-CA 3.5Å; I221-R226 HydrophobicContact CG2-CB 3.99Å; I221-H231 HydrophobicContact CD1-CB 4.09Å
222	R	91.5	Very high	95.7	Very high	34 Å²	34	13.6 Å²	13.6	13%	0.128	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.8	-179.1	-55.8	-173.7	-171.9	-140.1	-0.9	111.9	T113 T114 V115 S117 E163 S164 I220 A224 L225 R226	T113-R222 PolarHBondContact O-NH2 2.85Å; T114-R222 VanDerWaalsContact C-NH2 3.27Å; T114-R222 VanDerWaalsContact O-CZ 3.25Å; T114-R222 PolarHBondContact O-NH1 2.69Å; T114-R222 PolarHBondContact O-NH2 3.23Å; V115-R222 PolarHBondContact O-NH1 3.1Å; S117-R222 PolarHBondContact O-NH1 3.44Å; S117-R222 PolarHBondContact OG-NH2 2.89Å; E163-R222 WeakPolarHBondContact O-CA 3.5Å; S164-R222 PolarHBondContact OG-NE 2.94Å; S164-R222 VanDerWaalsContact OG-NE 3.16Å; S164-R222 PolarHBondContact OG-NH2 3.04Å; I220-R222 HydrophobicContact CG2-CG 3.96Å; R222-A224 PolarHBondContact O-N 3.29Å; R222-L225 PolarHBondContact O-N 3.39Å; R222-L225 VanDerWaalsContact O-N 3.09Å; R222-R226 PolarHBondContact O-N 2.8Å
223	G	91.5	Very high	95.8	Very high	12 Å²	12	11.7 Å²	11.7	12%	0.124	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-126	172.7	0	0	0	0	0	112	L225 R226 Y227	G223-L225 VanDerWaalsContact C-N 3.27Å; G223-L225 PolarHBondContact O-N 3.35Å; G223-R226 WeakPolarHBondContact O-CA 3.45Å; G223-R226 VanDerWaalsContact O-CB 3.32Å; G223-R226 WeakPolarHBondContact O-CB 3.49Å; G223-R226 PolarHBondContact O-N 3.14Å; G223-Y227 VanDerWaalsContact O-CD2 3.26Å; G223-Y227 WeakPolarHBondContact O-CD2 3.14Å; G223-Y227 PolarHBondContact O-N 2.62Å
224	A	93.9	Very high	95.8	Very high	6 Å²	6	12 Å²	12	5%	0.05	6%	0.056	C	C	.	.	H	α-helix	trans	-56.1	-38	-179.4	0	0	0	0	0	113.8	T45 L197 L200 R222 R226 Y227 L228 L229	T45-A224 HydrophobicContact CG2-CB 4.23Å; L197-A224 HydrophobicContact CD2-CB 3.67Å; L200-A224 HydrophobicContact CD1-CB 3.35Å; R222-A224 PolarHBondContact O-N 3.29Å; A224-R226 PolarHBondContact O-N 3.46Å; A224-Y227 PolarHBondContact O-N 3.23Å; A224-L228 HydrophobicContact CB-CD1 4.44Å; A224-L228 WeakPolarHBondContact O-CA 3.1Å; A224-L228 WeakPolarHBondContact O-CB 3.11Å; A224-L228 PolarHBondContact O-N 3.32Å; A224-L229 PolarHBondContact O-N 2.68Å
225	L	95.5	Very high	95.9	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-70.5	-27.3	-179.5	-69.9	58.2	0	0	0	111.3	T45 V46 L50 L178 I221 R222 G223 L229	T45-L225 HydrophobicContact CG2-CD1 4.37Å; V46-L225 HydrophobicContact CG1-CD2 4.33Å; V46-L225 HydrophobicContact CG2-CG 4.3Å; L50-L225 HydrophobicContact CB-CD2 3.53Å; L50-L225 HydrophobicContact CD1-CD2 4.27Å; L50-L225 HydrophobicContact CG-CD2 4.49Å; L50-L225 VanDerWaalsContact N-CD2 3.29Å; L178-L225 HydrophobicContact CD1-CD2 4.06Å; L178-L225 HydrophobicContact CD1-CG 4.3Å; I221-L225 HydrophobicContact CG2-CB 3.76Å; I221-L225 VanDerWaalsContact CG2-O 3.24Å; I221-L225 WeakPolarHBondContact CG2-O 3.42Å; R222-L225 PolarHBondContact O-N 3.39Å; R222-L225 VanDerWaalsContact O-N 3.09Å; G223-L225 VanDerWaalsContact C-N 3.27Å; G223-L225 PolarHBondContact O-N 3.35Å; L225-L229 HydrophobicContact CB-CD1 4.24Å; L225-L229 HydrophobicContact CD1-CD1 4.36Å; L225-L229 HydrophobicContact CG-CD1 3.87Å
226	R	95.2	Very high	95.8	Very high	3 Å²	3	8.2 Å²	8.2	1%	0.011	4%	0.041	C	C	.	.	H	α-helix	trans	-76	-50.7	177.2	-166.4	-39.3	-176.4	-151.9	8.6	109.5	D156 S157 C161 G162 I165 I221 R222 G223 A224	D156-R226 VanDerWaalsContact C-NH1 3.33Å; D156-R226 PolarHBondContact O-NH1 3.48Å; D156-R226 PolarHBondContact O-NH2 3Å; S157-R226 PolarHBondContact O-NH2 2.81Å; C161-R226 PolarHBondContact O-NH2 2.8Å; G162-R226 PolarHBondContact O-NE 2.94Å; I165-R226 HydrophobicContact CD1-CG 4.32Å; I221-R226 VanDerWaalsContact CG2-CA 3.5Å; I221-R226 HydrophobicContact CG2-CB 3.99Å; R222-R226 PolarHBondContact O-N 2.8Å; G223-R226 WeakPolarHBondContact O-CA 3.45Å; G223-R226 VanDerWaalsContact O-CB 3.32Å; G223-R226 WeakPolarHBondContact O-CB 3.49Å; G223-R226 PolarHBondContact O-N 3.14Å; A224-R226 PolarHBondContact O-N 3.46Å
227	Y	95.2	Very high	95.7	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-98.9	-29.7	-165.1	-65.5	-71.7	0	0	0	114.5	V158 G162 E163 V189 P190 G223 A224 L271	V158-Y227 HydrophobicContact CG1-CD1 4.2Å; V158-Y227 HydrophobicContact CG1-CE1 4.04Å; G162-Y227 PolarHBondContact O-OH 3.09Å; E163-Y227 VanDerWaalsContact CA-OH 3.28Å; E163-Y227 WeakPolarHBondContact CA-OH 3.4Å; E163-Y227 HydrophobicContact CG-CE2 4.49Å; E163-Y227 WeakPolarHBondContact CG-OH 3.44Å; E163-Y227 PolarHBondContact N-OH 3.36Å; V189-Y227 HydrophobicContact CG1-CG 4.42Å; P190-Y227 HydrophobicContact CG-CD2 4.3Å; P190-Y227 HydrophobicContact CG-CE2 3.61Å; G223-Y227 VanDerWaalsContact O-CD2 3.26Å; G223-Y227 WeakPolarHBondContact O-CD2 3.14Å; G223-Y227 PolarHBondContact O-N 2.62Å; A224-Y227 PolarHBondContact O-N 3.23Å; Y227-L271 HydrophobicContact CE1-CD2 4.37Å
228	L	96.7	Very high	95.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-8.6	-171.9	-55	-175.2	0	0	0	113.6	A181 V186 V189 L197 L202 A224 Y274	A181-L228 VanDerWaalsContact CB-O 3.29Å; A181-L228 WeakPolarHBondContact CB-O 3.16Å; A181-L228 PolarHBondContact N-O 2.89Å; V186-L228 HydrophobicContact CG1-CD2 3.81Å; V186-L228 HydrophobicContact CG2-CD2 4.48Å; V189-L228 HydrophobicContact CG1-CD2 4.02Å; L197-L228 HydrophobicContact CB-CD1 4.1Å; L197-L228 HydrophobicContact CD2-CD1 4.17Å; L202-L228 HydrophobicContact CD1-CB 4.13Å; L202-L228 HydrophobicContact CD1-CD1 3.86Å; A224-L228 HydrophobicContact CB-CD1 4.44Å; A224-L228 WeakPolarHBondContact O-CA 3.1Å; A224-L228 WeakPolarHBondContact O-CB 3.11Å; A224-L228 PolarHBondContact O-N 3.32Å; L228-Y274 HydrophobicContact CD1-CE1 4.15Å; L228-Y274 HydrophobicContact CD1-CE2 4.19Å; L228-Y274 HydrophobicContact CD2-CD1 3.61Å; L228-Y274 HydrophobicContact CD2-CD2 4.11Å; L228-Y274 HydrophobicContact CD2-CE1 3.61Å; L228-Y274 HydrophobicContact CD2-CE2 4.1Å; L228-Y274 HydrophobicContact CD2-CG 3.86Å
229	L	97.5	Very high	95.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.6	176.1	-55.4	-177.4	0	0	0	110	L42 V46 L178 A179 V180 A224 L225	L42-L229 HydrophobicContact CD1-CD1 4.14Å; L42-L229 HydrophobicContact CD1-CD2 3.97Å; V46-L229 HydrophobicContact CG2-CD1 3.82Å; L178-L229 HydrophobicContact CB-CD1 3.99Å; L178-L229 HydrophobicContact CD1-CD1 4.46Å; A179-L229 CarbonylContact O-C 3.55Å; A179-L229 WeakPolarHBondContact O-CA 3.27Å; V180-L229 HydrophobicContact CB-CD2 4.33Å; V180-L229 HydrophobicContact CG2-CD2 3.9Å; A224-L229 PolarHBondContact O-N 2.68Å; L225-L229 HydrophobicContact CB-CD1 4.24Å; L225-L229 HydrophobicContact CD1-CD1 4.36Å; L225-L229 HydrophobicContact CG-CD1 3.87Å
230	T	97.6	Very high	95.3	Very high	9 Å²	9	15.4 Å²	15.4	6%	0.055	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.4	160.6	57.2	0	0	0	0	109.2	A153 H154 V155 L178 A179 A181	A153-T230 HydrophobicContact CB-CG2 4.39Å; H154-T230 CarbonylContact O-C 3.48Å; H154-T230 VanDerWaalsContact O-CA 3.26Å; H154-T230 WeakPolarHBondContact O-CA 3.27Å; V155-T230 HydrophobicContact CG2-CG2 4.03Å; L178-T230 VanDerWaalsContact CA-O 3.28Å; L178-T230 WeakPolarHBondContact CA-O 3.29Å; A179-T230 PolarHBondContact N-O 3.08Å; A179-T230 PolarHBondContact O-N 2.99Å; A179-T230 PolarHBondContact O-OG1 3.12Å; A179-T230 VanDerWaalsContact O-OG1 3.11Å; A181-T230 HydrophobicContact CB-CG2 3.93Å
231	H	97.2	Very high	95.2	Very high	20 Å²	20	21.1 Å²	21.1	9%	0.093	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.4	174.1	66	-65	0	0	0	110.7	H154 D156 L176 R177 L178 I221	H154-H231 AromaticContact CD2-CE1 3.69Å; H154-H231 AromaticContact CE1-CD2 3.91Å; H154-H231 AromaticContact CE1-CE1 3.53Å; H154-H231 AromaticContact CE1-NE2 3.47Å; H154-H231 PolarHBondContact CE1-NE2 2.81Å; H154-H231 PolarHBondContact N-O 2.73Å; H154-H231 PolarHBondContact ND1-O 3.4Å; H154-H231 VanDerWaalsContact ND1-O 3.12Å; H154-H231 AromaticContact NE2-CE1 3.22Å; H154-H231 PolarHBondContact NE2-CE1 2.66Å; H154-H231 AromaticContact NE2-NE2 3.32Å; H154-H231 PolarHBondContact NE2-NE2 2.86Å; H154-H231 PolarHBondContact O-N 3.42Å; H154-H231 PolarHBondContact O-ND1 3.45Å; D156-H231 IonicContact OD1-CE1 3.59Å; D156-H231 PolarHBondContact OD1-CE1 3.49Å; D156-H231 IonicContact OD1-NE2 3.81Å; L176-H231 HydrophobicContact CD1-CB 4.13Å; R177-H231 CarbonylContact O-C 3.55Å; R177-H231 WeakPolarHBondContact O-CA 3.45Å; L178-H231 HydrophobicContact CD2-CB 3.68Å; I221-H231 HydrophobicContact CD1-CB 4.09Å
232	A	97.4	Very high	95.1	Very high	6 Å²	6	21.9 Å²	21.9	5%	0.05	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.1	-176.7	0	0	0	0	0	111	I151 A153 L176 R177	I151-A232 CarbonylContact O-C 3.6Å; I151-A232 VanDerWaalsContact O-CA 3.26Å; I151-A232 WeakPolarHBondContact O-CA 3.41Å; I151-A232 VanDerWaalsContact O-CB 3.25Å; I151-A232 WeakPolarHBondContact O-CB 3.21Å; A153-A232 HydrophobicContact CB-CB 4.38Å; L176-A232 CarbonylContact C-O 3.56Å; L176-A232 WeakPolarHBondContact CA-O 3.33Å; R177-A232 HydrophobicContact CB-CB 4.27Å; R177-A232 PolarHBondContact N-O 3.07Å; R177-A232 PolarHBondContact O-N 3.11Å
233	I	97.6	Very high	95	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.3	168.8	-62.2	-62.7	0	0	0	107.6	L145 I151 L176	L145-I233 HydrophobicContact CD2-CG2 4.24Å; I151-I233 HydrophobicContact CB-CB 4.01Å; I151-I233 HydrophobicContact CB-CG1 4.3Å; I151-I233 HydrophobicContact CD1-CB 4.11Å; I151-I233 HydrophobicContact CD1-CG1 3.75Å; I151-I233 HydrophobicContact CG1-CB 4.13Å; I151-I233 HydrophobicContact CG1-CG1 4.3Å; I151-I233 PolarHBondContact N-O 3.45Å; I151-I233 PolarHBondContact O-N 3.12Å; L176-I233 HydrophobicContact CB-CD1 4.29Å; L176-I233 HydrophobicContact CD1-CD1 4.09Å
234	L	96.6	Very high	94.8	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	15%	0.145	C	C	.	.			trans	-64.1	138	-172.1	-59.9	-173.7	0	0	0	112	I175 R177 Q238 V239 I242 R255	I175-L234 HydrophobicContact CB-CB 4.44Å; I175-L234 HydrophobicContact CB-CD1 4.15Å; I175-L234 HydrophobicContact CB-CG 4.36Å; I175-L234 HydrophobicContact CG2-CD1 3.74Å; I175-L234 HydrophobicContact CG2-CG 4.24Å; I175-L234 PolarHBondContact O-N 2.94Å; I175-L234 VanDerWaalsContact O-N 3.11Å; R177-L234 HydrophobicContact CB-CD2 3.85Å; R177-L234 HydrophobicContact CB-CG 4.24Å; L234-Q238 VanDerWaalsContact CA-OE1 3.27Å; L234-Q238 HydrophobicContact CB-CB 4.29Å; L234-V239 HydrophobicContact CB-CG2 3.93Å; L234-V239 HydrophobicContact CD1-CG2 4.47Å; L234-I242 HydrophobicContact CD1-CD1 4.01Å; L234-R255 PolarHBondContact O-NH1 2.74Å
235	S	96.2	Very high	94.4	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	18%	0.175	C	C	.	.			trans	-69.6	162.5	172.7	67.6	0	0	0	0	112.2	E150 E237 Q238 V239	E150-S235 WeakPolarHBondContact OE2-CB 3.36Å; S235-E237 WeakPolarHBondContact CB-OE2 3.29Å; S235-E237 PolarHBondContact O-N 3.11Å; S235-E237 PolarHBondContact OG-OE2 2.99Å; S235-Q238 PolarHBondContact O-N 2.81Å; S235-Q238 VanDerWaalsContact OG-CG 3.29Å; S235-Q238 WeakPolarHBondContact OG-CG 3.22Å; S235-Q238 PolarHBondContact OG-N 3.28Å; S235-Q238 VanDerWaalsContact OG-N 3.12Å; S235-Q238 PolarHBondContact OG-OE1 2.75Å; S235-V239 WeakPolarHBondContact O-CG2 3.44Å; S235-V239 PolarHBondContact O-N 3.36Å
236	N	96.5	Very high	93.6	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-33.3	174.7	-74.7	-32.7	0	0	0	111.2	E147 V239 N240 R255	E147-N236 PolarHBondContact O-ND2 2.81Å; E147-N236 VanDerWaalsContact O-ND2 3.15Å; N236-V239 PolarHBondContact O-N 2.9Å; N236-N240 VanDerWaalsContact O-CB 3.26Å; N236-N240 WeakPolarHBondContact O-CB 3.15Å; N236-N240 PolarHBondContact O-N 3.48Å; N236-N240 PolarHBondContact O-ND2 2.89Å; N236-R255 PolarHBondContact ND2-O 2.94Å; N236-R255 PolarHBondContact OD1-N 2.86Å; N236-R255 PolarHBondContact OD1-O 3.02Å
237	E	94.8	Very high	92.6	Very high	98 Å²	98	45.8 Å²	45.8	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-52.1	173.8	-64.2	74.3	-164.5	0	0	110.7	S235 V239 N240 E241	S235-E237 WeakPolarHBondContact CB-OE2 3.29Å; S235-E237 PolarHBondContact O-N 3.11Å; S235-E237 PolarHBondContact OG-OE2 2.99Å; E237-V239 PolarHBondContact O-N 3.42Å; E237-N240 PolarHBondContact O-N 2.88Å; E237-E241 WeakPolarHBondContact O-CG 3.41Å; E237-E241 PolarHBondContact O-N 2.81Å
238	Q	94.6	Very high	92	Very high	61 Å²	61	48.2 Å²	48.2	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-42.4	177.3	-72.7	171	-35.5	0	0	112.5	L234 S235 N240 E241 I242	L234-Q238 VanDerWaalsContact CA-OE1 3.27Å; L234-Q238 HydrophobicContact CB-CB 4.29Å; S235-Q238 PolarHBondContact O-N 2.81Å; S235-Q238 VanDerWaalsContact OG-CG 3.29Å; S235-Q238 WeakPolarHBondContact OG-CG 3.22Å; S235-Q238 PolarHBondContact OG-N 3.28Å; S235-Q238 VanDerWaalsContact OG-N 3.12Å; S235-Q238 PolarHBondContact OG-OE1 2.75Å; Q238-N240 VanDerWaalsContact C-N 3.34Å; Q238-E241 PolarHBondContact O-N 2.7Å; Q238-I242 WeakPolarHBondContact O-CD1 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.26Å; Q238-I242 WeakPolarHBondContact O-CG1 3.26Å; Q238-I242 PolarHBondContact O-N 3.25Å; Q238-I242 VanDerWaalsContact O-N 3.11Å
239	V	94.6	Very high	91.4	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-41.1	177.4	174.3	0	0	0	0	111	I175 L234 S235 N236 E237 I242 R243 Y251 L253	I175-V239 HydrophobicContact CD1-CG1 4.21Å; I175-V239 HydrophobicContact CD1-CG2 3.83Å; I175-V239 HydrophobicContact CG1-CG2 4.4Å; L234-V239 HydrophobicContact CB-CG2 3.93Å; L234-V239 HydrophobicContact CD1-CG2 4.47Å; S235-V239 WeakPolarHBondContact O-CG2 3.44Å; S235-V239 PolarHBondContact O-N 3.36Å; N236-V239 PolarHBondContact O-N 2.9Å; E237-V239 PolarHBondContact O-N 3.42Å; V239-I242 PolarHBondContact O-N 3.25Å; V239-R243 WeakPolarHBondContact O-CB 3.5Å; V239-R243 PolarHBondContact O-N 3.06Å; V239-Y251 HydrophobicContact CG1-CD1 4.39Å; V239-Y251 WeakPolarHBondContact CG1-O 3.47Å; V239-L253 WeakPolarHBondContact CG1-O 3.45Å
240	N	93.2	Very high	91	Very high	45 Å²	45	52.6 Å²	52.6	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-42.5	177.4	-74.3	-32.6	0	0	0	112.1	N236 E237 Q238 R243 N244	N236-N240 VanDerWaalsContact O-CB 3.26Å; N236-N240 WeakPolarHBondContact O-CB 3.15Å; N236-N240 PolarHBondContact O-N 3.48Å; N236-N240 PolarHBondContact O-ND2 2.89Å; E237-N240 PolarHBondContact O-N 2.88Å; Q238-N240 VanDerWaalsContact C-N 3.34Å; N240-R243 PolarHBondContact O-N 3.3Å; N240-R243 VanDerWaalsContact OD1-CZ 3.23Å; N240-R243 PolarHBondContact OD1-NH1 2.88Å; N240-R243 PolarHBondContact OD1-NH2 3.23Å; N240-N244 PolarHBondContact O-N 2.61Å; N240-N244 PolarHBondContact O-ND2 3.4Å; N240-N244 PolarHBondContact O-OD1 3.35Å
241	E	92.7	Very high	90.6	Very high	120 Å²	120	52.1 Å²	52.1	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-57.3	-51.6	174.7	-73.9	170.1	-178.3	0	0	111	E237 Q238 R243 N244 E245	E237-E241 WeakPolarHBondContact O-CG 3.41Å; E237-E241 PolarHBondContact O-N 2.81Å; Q238-E241 PolarHBondContact O-N 2.7Å; E241-R243 PolarHBondContact O-N 3.08Å; E241-N244 PolarHBondContact O-N 3.28Å; E241-E245 PolarHBondContact O-N 2.95Å; E241-E245 VanDerWaalsContact O-N 3.17Å
242	I	91.2	Very high	90.3	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-39.9	-178.6	-59.3	158.7	0	0	0	111.5	L234 Q238 V239 N244 E245 H246 Y251	L234-I242 HydrophobicContact CD1-CD1 4.01Å; Q238-I242 WeakPolarHBondContact O-CD1 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.26Å; Q238-I242 WeakPolarHBondContact O-CG1 3.26Å; Q238-I242 PolarHBondContact O-N 3.25Å; Q238-I242 VanDerWaalsContact O-N 3.11Å; V239-I242 PolarHBondContact O-N 3.25Å; I242-N244 VanDerWaalsContact C-N 3.27Å; I242-N244 PolarHBondContact O-N 3.42Å; I242-E245 PolarHBondContact O-N 2.81Å; I242-H246 PolarHBondContact O-N 2.92Å; I242-Y251 HydrophobicContact CB-CD1 4.17Å; I242-Y251 HydrophobicContact CB-CE1 4.21Å; I242-Y251 HydrophobicContact CB-CG 4.34Å; I242-Y251 HydrophobicContact CD1-CD1 4.4Å; I242-Y251 HydrophobicContact CD1-CE1 3.94Å; I242-Y251 HydrophobicContact CG2-CD1 3.95Å; I242-Y251 HydrophobicContact CG2-CD2 3.68Å; I242-Y251 HydrophobicContact CG2-CE1 3.71Å; I242-Y251 HydrophobicContact CG2-CE2 3.44Å; I242-Y251 VanDerWaalsContact CG2-CE2 3.44Å; I242-Y251 HydrophobicContact CG2-CG 3.94Å; I242-Y251 VanDerWaalsContact CG2-CZ 3.44Å
243	R	90.3	Very high	90	Very high	82 Å²	82	57 Å²	57	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-37.8	176.6	-174.5	-178	64.6	-145.9	-4.9	111.9	V239 N240 E241 E245 H246 Y251	V239-R243 WeakPolarHBondContact O-CB 3.5Å; V239-R243 PolarHBondContact O-N 3.06Å; N240-R243 PolarHBondContact O-N 3.3Å; N240-R243 VanDerWaalsContact OD1-CZ 3.23Å; N240-R243 PolarHBondContact OD1-NH1 2.88Å; N240-R243 PolarHBondContact OD1-NH2 3.23Å; E241-R243 PolarHBondContact O-N 3.08Å; R243-E245 VanDerWaalsContact C-N 3.33Å; R243-H246 CarbonylContact C-O 3.6Å; R243-H246 CarbonylContact O-C 3.44Å; R243-H246 VanDerWaalsContact O-O 3.05Å; R243-Y251 WeakPolarHBondContact CD-O 3.46Å
244	N	87.2	Confident	89.8	Confident	131 Å²	131	62 Å²	62	70%	0.701	32%	0.316	S	S	*	.	H	α-helix	trans	-71.1	-31.7	179.1	-68.1	-18.9	0	0	0	111.9	N240 E241 I242	N240-N244 PolarHBondContact O-N 2.61Å; N240-N244 PolarHBondContact O-ND2 3.4Å; N240-N244 PolarHBondContact O-OD1 3.35Å; E241-N244 PolarHBondContact O-N 3.28Å; I242-N244 VanDerWaalsContact C-N 3.27Å; I242-N244 PolarHBondContact O-N 3.42Å
245	E	85.4	Confident	89.8	Confident	142 Å²	142	62 Å²	62	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-79.2	-35.2	175.1	-67.3	177.3	178.5	0	0	112.8	E241 I242 R243	E241-E245 PolarHBondContact O-N 2.95Å; E241-E245 VanDerWaalsContact O-N 3.17Å; I242-E245 PolarHBondContact O-N 2.81Å; R243-E245 VanDerWaalsContact C-N 3.33Å
246	H	77.7	Confident	89.8	Confident	71 Å²	71	62.9 Å²	62.9	33%	0.329	33%	0.326	S	S	.	.			trans	-136.5	119.2	-171.8	-54.6	84.4	0	0	0	110.7	I242 R243 I248	I242-H246 PolarHBondContact O-N 2.92Å; R243-H246 CarbonylContact C-O 3.6Å; R243-H246 CarbonylContact O-C 3.44Å; R243-H246 VanDerWaalsContact O-O 3.05Å; H246-I248 HydrophobicContact CB-CD1 3.79Å; H246-I248 HydrophobicContact CB-CG1 3.97Å; H246-I248 PolarHBondContact O-N 3.44Å
247	S	75.3	Confident	89.9	Confident	133 Å²	133	65.4 Å²	65.4	93%	0.93	34%	0.335	S	S	*	.			trans	-74.6	58.1	174.2	-56.3	0	0	0	0	112.4
248	I	81.9	Confident	90.1	Very high	53 Å²	53	60.8 Å²	60.8	27%	0.272	31%	0.313	S	S	.	.			trans	-102.8	124.4	179.2	-58.5	168.3	0	0	0	108.7	H246 L250 Y251	H246-I248 HydrophobicContact CB-CD1 3.79Å; H246-I248 HydrophobicContact CB-CG1 3.97Å; H246-I248 PolarHBondContact O-N 3.44Å; I248-L250 HydrophobicContact CG2-CB 3.88Å; I248-L250 PolarHBondContact O-N 3.43Å; I248-Y251 HydrophobicContact CB-CD2 3.83Å; I248-Y251 HydrophobicContact CB-CE2 4Å; I248-Y251 HydrophobicContact CD1-CE2 4.14Å; I248-Y251 HydrophobicContact CG2-CD2 4.25Å; I248-Y251 HydrophobicContact CG2-CE2 4.19Å; I248-Y251 PolarHBondContact O-N 3.46Å
249	D	84.8	Confident	90.2	Very high	88 Å²	88	57.9 Å²	57.9	47%	0.471	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59	-20.8	-174.9	-174.4	49.9	0	0	0	114.6	K34 Y251 N252	K34-D249 VanDerWaalsContact CE-OD2 3.31Å; K34-D249 WeakPolarHBondContact CE-OD2 3.17Å; K34-D249 IonicContact NZ-OD2 2.61Å; K34-D249 PolarHBondContact NZ-OD2 3.48Å; D249-Y251 PolarHBondContact O-N 3.45Å; D249-N252 WeakPolarHBondContact O-CB 3.35Å; D249-N252 PolarHBondContact O-N 3.4Å; D249-N252 PolarHBondContact OD1-ND2 3.23Å
250	L	87.3	Confident	90.4	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37.2	170.4	175.2	58.9	0	0	0	112.7	K34 N36 I175 D210 F212 I248	K34-L250 HydrophobicContact CB-CB 4.36Å; K34-L250 HydrophobicContact CB-CD1 3.91Å; K34-L250 WeakPolarHBondContact O-CD1 3.02Å; N36-L250 HydrophobicContact CB-CD2 3.68Å; I175-L250 HydrophobicContact CD1-CD1 4.39Å; I175-L250 HydrophobicContact CD1-CG 4.22Å; D210-L250 HydrophobicContact CB-CD2 3.89Å; F212-L250 HydrophobicContact CB-CD1 3.47Å; F212-L250 VanDerWaalsContact CB-CD1 3.47Å; F212-L250 HydrophobicContact CD2-CD1 4.35Å; F212-L250 HydrophobicContact CG-CD1 4.36Å; I248-L250 HydrophobicContact CG2-CB 3.88Å; I248-L250 PolarHBondContact O-N 3.43Å
251	Y	90.6	Very high	90.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-93.7	7.2	-175	-52.8	-72.7	0	0	0	113	N36 I175 D210 V239 I242 R243 I248 D249 L253	N36-Y251 HydrophobicContact CB-CE2 4.41Å; N36-Y251 PolarHBondContact ND2-OH 3.45Å; I175-Y251 HydrophobicContact CD1-CD1 3.49Å; I175-Y251 VanDerWaalsContact CD1-CD1 3.49Å; I175-Y251 HydrophobicContact CD1-CE1 3.9Å; I175-Y251 HydrophobicContact CD1-CG 4.47Å; D210-Y251 HydrophobicContact CB-CE1 4.35Å; D210-Y251 VanDerWaalsContact OD2-CE1 3.27Å; D210-Y251 WeakPolarHBondContact OD2-CE1 3.28Å; D210-Y251 PolarHBondContact OD2-OH 2.67Å; V239-Y251 HydrophobicContact CG1-CD1 4.39Å; V239-Y251 WeakPolarHBondContact CG1-O 3.47Å; I242-Y251 HydrophobicContact CB-CD1 4.17Å; I242-Y251 HydrophobicContact CB-CE1 4.21Å; I242-Y251 HydrophobicContact CB-CG 4.34Å; I242-Y251 HydrophobicContact CD1-CD1 4.4Å; I242-Y251 HydrophobicContact CD1-CE1 3.94Å; I242-Y251 HydrophobicContact CG2-CD1 3.95Å; I242-Y251 HydrophobicContact CG2-CD2 3.68Å; I242-Y251 HydrophobicContact CG2-CE1 3.71Å; I242-Y251 HydrophobicContact CG2-CE2 3.44Å; I242-Y251 VanDerWaalsContact CG2-CE2 3.44Å; I242-Y251 HydrophobicContact CG2-CG 3.94Å; I242-Y251 VanDerWaalsContact CG2-CZ 3.44Å; R243-Y251 WeakPolarHBondContact CD-O 3.46Å; I248-Y251 HydrophobicContact CB-CD2 3.83Å; I248-Y251 HydrophobicContact CB-CE2 4Å; I248-Y251 HydrophobicContact CD1-CE2 4.14Å; I248-Y251 HydrophobicContact CG2-CD2 4.25Å; I248-Y251 HydrophobicContact CG2-CE2 4.19Å; I248-Y251 PolarHBondContact O-N 3.46Å; D249-Y251 PolarHBondContact O-N 3.45Å; Y251-L253 PolarHBondContact O-N 3.11Å
252	N	90.4	Very high	90.9	Very high	105 Å²	105	50.7 Å²	50.7	56%	0.561	26%	0.264	S	S	*	.			trans	-77.7	50.9	168.2	-69.7	-24.9	0	0	0	111.1	D249	D249-N252 WeakPolarHBondContact O-CB 3.35Å; D249-N252 PolarHBondContact O-N 3.4Å; D249-N252 PolarHBondContact OD1-ND2 3.23Å
253	L	91.4	Very high	91.2	Very high	22 Å²	22	49.9 Å²	49.9	12%	0.115	26%	0.26	C	S	.	.			trans	-129.4	136.2	-177.9	176.5	67.7	0	0	0	109.5	D173 I175 F212 V239 Y251	D173-L253 HydrophobicContact CB-CD1 3.79Å; D173-L253 HydrophobicContact CB-CD2 4.42Å; I175-L253 HydrophobicContact CG1-CD2 3.93Å; F212-L253 HydrophobicContact CE2-CD2 4.38Å; V239-L253 WeakPolarHBondContact CG1-O 3.45Å; Y251-L253 PolarHBondContact O-N 3.11Å
254	H	93.8	Very high	91.4	Very high	109 Å²	109	48.3 Å²	48.3	51%	0.505	25%	0.254	S	S	.	.			trans	-122.7	109.3	163.7	-173.2	93.8	0	0	0	107.3	E147	E147-H254 IonicContact OE1-CD2 3.9Å; E147-H254 IonicContact OE1-CE1 3.16Å; E147-H254 IonicContact OE1-NE2 3.43Å; E147-H254 PolarHBondContact OE1-NE2 2.9Å
255	R	95.7	Very high	91.8	Very high	4 Å²	4	43 Å²	43	2%	0.015	23%	0.227	C	C	.	.			trans	-82.4	123.8	-174.1	-179.2	-158.9	67.6	-137.4	-12.4	109.5	E147 G149 S172 D173 L234 N236	E147-R255 WeakPolarHBondContact CG-O 3.43Å; E147-R255 PolarHBondContact O-NH2 2.91Å; G149-R255 PolarHBondContact O-NH2 2.83Å; S172-R255 WeakPolarHBondContact OG-CG 3.33Å; D173-R255 VanDerWaalsContact O-CG 3.28Å; D173-R255 WeakPolarHBondContact O-CG 3.31Å; L234-R255 PolarHBondContact O-NH1 2.74Å; N236-R255 PolarHBondContact ND2-O 2.94Å; N236-R255 PolarHBondContact OD1-N 2.86Å; N236-R255 PolarHBondContact OD1-O 3.02Å
256	G	97.5	Very high	92.2	Very high	24 Å²	24	40 Å²	40	25%	0.247	21%	0.213	C	C	.	.			trans	-77	-151.5	168.7	0	0	0	0	0	113.2	S172 R258	S172-G256 PolarHBondContact OG-O 2.86Å; G256-R258 PolarHBondContact O-N 3.25Å
257	R	97.8	Very high	92.8	Very high	60 Å²	60	38.9 Å²	38.9	23%	0.226	21%	0.213	C	C	.	.			trans	-58.6	136.4	167.7	-178.5	-174.9	172.6	-146.7	-3.7	109.9	D70 D144 L145 L171 S172	D70-R257 IonicContact OD1-CZ 3.57Å; D70-R257 IonicContact OD1-NH1 3.46Å; D70-R257 PolarHBondContact OD1-NH1 3.44Å; D70-R257 IonicContact OD1-NH2 2.86Å; D70-R257 PolarHBondContact OD1-NH2 3.02Å; D70-R257 IonicContact OD2-CZ 2.65Å; D70-R257 IonicContact OD2-NH1 3.66Å; D70-R257 PolarHBondContact OD2-NH1 2.96Å; D70-R257 IonicContact OD2-NH2 3.19Å; D144-R257 WeakPolarHBondContact OD1-CG 3.33Å; D144-R257 IonicContact OD1-CZ 3.47Å; D144-R257 IonicContact OD1-NE 3.46Å; D144-R257 PolarHBondContact OD1-NE 3.37Å; D144-R257 IonicContact OD1-NH2 3.06Å; D144-R257 IonicContact OD2-CZ 2.9Å; D144-R257 IonicContact OD2-NE 3.36Å; D144-R257 PolarHBondContact OD2-NE 3.36Å; D144-R257 IonicContact OD2-NH2 2.95Å; D144-R257 PolarHBondContact OD2-NH2 3.47Å; L145-R257 WeakPolarHBondContact O-CA 3.32Å; L171-R257 WeakPolarHBondContact CB-O 3.48Å; L171-R257 HydrophobicContact CD1-CB 4.46Å; L171-R257 HydrophobicContact CD1-CG 3.97Å; S172-R257 WeakPolarHBondContact CB-O 3.36Å; S172-R257 VanDerWaalsContact OG-C 3.3Å; S172-R257 PolarHBondContact OG-O 3.29Å
258	R	98.2	Very high	93.4	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.4	179.3	-177.9	174.3	169.9	-74.1	-15.5	110.3	L145 S169 S172 S174 G256 S260	L145-R258 HydrophobicContact CB-CB 4.31Å; L145-R258 WeakPolarHBondContact CB-O 3.24Å; L145-R258 PolarHBondContact N-O 3.06Å; L145-R258 PolarHBondContact O-N 2.77Å; S169-R258 PolarHBondContact OG-NH2 3.01Å; S172-R258 WeakPolarHBondContact OG-CA 3.26Å; S172-R258 WeakPolarHBondContact OG-CB 3.26Å; S174-R258 PolarHBondContact OG-NE 3.12Å; G256-R258 PolarHBondContact O-N 3.25Å; R258-S260 PolarHBondContact NH1-OG 3.35Å; R258-S260 PolarHBondContact NH2-OG 2.76Å
259	V	98.3	Very high	93.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.3	172.7	174.2	0	0	0	0	109	I66 L69 V142 L143 D144 L170 L171	I66-V259 HydrophobicContact CD1-CB 3.86Å; I66-V259 HydrophobicContact CD1-CG1 4.07Å; I66-V259 HydrophobicContact CD1-CG2 3.99Å; L69-V259 HydrophobicContact CD1-CG1 3.96Å; V142-V259 HydrophobicContact CG1-CG1 4.07Å; L143-V259 CarbonylContact O-C 3.55Å; L143-V259 WeakPolarHBondContact O-CA 3.46Å; D144-V259 HydrophobicContact CB-CG2 4.07Å; L170-V259 WeakPolarHBondContact CA-O 3.38Å; L170-V259 HydrophobicContact CB-CB 4.29Å; L170-V259 WeakPolarHBondContact CB-O 3.11Å; L170-V259 HydrophobicContact CD1-CG1 4.31Å; L170-V259 PolarHBondContact N-O 2.85Å; L170-V259 PolarHBondContact O-N 3.15Å; L170-V259 VanDerWaalsContact O-N 3.15Å; L171-V259 HydrophobicContact CD1-CB 4.36Å; L171-V259 HydrophobicContact CD1-CG2 3.72Å; L171-V259 HydrophobicContact CG-CG2 4.45Å
260	S	98.4	Very high	94	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.6	175.2	-52.9	0	0	0	0	110.5	V142 L143 L168 R258	V142-S260 WeakPolarHBondContact CA-O 3.35Å; L143-S260 PolarHBondContact N-O 2.71Å; L143-S260 PolarHBondContact O-N 2.9Å; L168-S260 CarbonylContact O-C 3.46Å; L168-S260 VanDerWaalsContact O-CA 3.25Å; L168-S260 WeakPolarHBondContact O-CA 3.44Å; R258-S260 PolarHBondContact NH1-OG 3.35Å; R258-S260 PolarHBondContact NH2-OG 2.76Å
261	V	98.2	Very high	94.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.9	168.9	-176	0	0	0	0	107.2	L69 W98 L110 I140 V142 L168 L170	L69-V261 HydrophobicContact CD1-CG2 4.2Å; W98-V261 HydrophobicContact CH2-CG1 3.99Å; W98-V261 HydrophobicContact CH2-CG2 4.32Å; W98-V261 HydrophobicContact CZ2-CG1 4.02Å; L110-V261 HydrophobicContact CD2-CB 4.44Å; L110-V261 HydrophobicContact CD2-CG1 3.94Å; I140-V261 HydrophobicContact CG2-CG1 3.37Å; V142-V261 HydrophobicContact CG2-CG2 4.46Å; L168-V261 HydrophobicContact CB-CB 4.15Å; L168-V261 HydrophobicContact CD2-CB 4.3Å; L168-V261 HydrophobicContact CD2-CG2 4.47Å; L168-V261 PolarHBondContact N-O 2.91Å; L168-V261 PolarHBondContact O-N 2.6Å; L170-V261 HydrophobicContact CD1-CG2 4.05Å
262	I	97.9	Very high	94.3	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.3	-165.2	-58.4	157	0	0	0	108.9	H141 L143 I165 A166 V167 R264	H141-I262 HydrophobicContact CB-CB 4.18Å; H141-I262 PolarHBondContact N-O 2.84Å; H141-I262 VanDerWaalsContact N-O 3.08Å; H141-I262 WeakPolarHBondContact ND1-CD1 3.25Å; H141-I262 PolarHBondContact O-N 2.8Å; L143-I262 HydrophobicContact CB-CD1 4.09Å; I165-I262 HydrophobicContact CG2-CG2 4.07Å; A166-I262 WeakPolarHBondContact O-CA 3.43Å; V167-I262 HydrophobicContact CG1-CG1 4.02Å; V167-I262 HydrophobicContact CG2-CG1 4.19Å; V167-I262 HydrophobicContact CG2-CG2 4.32Å; I262-R264 HydrophobicContact CG2-CG 4.13Å
263	C	96.7	Very high	94.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.6	175.6	-176.7	0	0	0	0	109.1	L110 T114 I140 A166	L110-C263 HydrophobicContact CD2-CB 3.95Å; L110-C263 HydrophobicContact CG-CB 3.88Å; T114-C263 HydrophobicContact CG2-CB 4.49Å; T114-C263 WeakPolarHBondContact OG1-CB 3.14Å; T114-C263 PolarHBondContact OG1-SG 3.13Å; I140-C263 HydrophobicContact CD1-CB 4.12Å; A166-C263 PolarHBondContact N-O 3.47Å; A166-C263 PolarHBondContact O-N 2.94Å
264	R	95.8	Very high	94.4	Very high	49 Å²	49	42.6 Å²	42.6	19%	0.185	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.3	-175.7	-62.8	176.5	174.6	114.3	-7.6	109.8	V136 L137 H141 D156 S164 I165 I262	V136-R264 CarbonylContact C-O 3.5Å; V136-R264 VanDerWaalsContact CA-O 3.31Å; V136-R264 WeakPolarHBondContact CA-O 3.42Å; V136-R264 WeakPolarHBondContact CB-O 3.49Å; L137-R264 HydrophobicContact CD1-CB 3.85Å; L137-R264 HydrophobicContact CG-CB 4.21Å; L137-R264 PolarHBondContact N-O 2.9Å; H141-R264 PolarHBondContact ND1-NH1 2.94Å; D156-R264 IonicContact OD1-NH2 2.65Å; D156-R264 IonicContact OD2-CZ 2.86Å; D156-R264 IonicContact OD2-NE 3.18Å; D156-R264 PolarHBondContact OD2-NE 2.67Å; D156-R264 IonicContact OD2-NH2 3.38Å; D156-R264 PolarHBondContact OD2-NH2 3.02Å; D156-R264 VanDerWaalsContact OD2-NH2 3.16Å; S164-R264 WeakPolarHBondContact O-CA 3.27Å; I165-R264 HydrophobicContact CG1-CG 4.35Å; I165-R264 HydrophobicContact CG2-CG 4.28Å; I262-R264 HydrophobicContact CG2-CG 4.13Å
265	T	94.6	Very high	94.2	Very high	20 Å²	20	40.3 Å²	40.3	12%	0.123	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-76	156.1	168.4	55	0	0	0	0	111.5	T114 S135 G162 E163 S164	T114-T265 HydrophobicContact CG2-CG2 4.07Å; S135-T265 VanDerWaalsContact O-CA 3.24Å; S135-T265 WeakPolarHBondContact O-CA 3.39Å; S135-T265 WeakPolarHBondContact O-CB 3.25Å; G162-T265 PolarHBondContact N-O 2.7Å; E163-T265 PolarHBondContact N-OG1 3.48Å; E163-T265 VanDerWaalsContact N-OG1 3.12Å; S164-T265 PolarHBondContact N-OG1 3.22Å; S164-T265 VanDerWaalsContact N-OG1 3.13Å; S164-T265 PolarHBondContact O-N 2.96Å; S164-T265 PolarHBondContact O-OG1 2.94Å
266	H	93.3	Very high	93.1	Very high	80 Å²	80	45.6 Å²	45.6	37%	0.37	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-56.7	147.5	170.5	-80.8	-77.4	0	0	0	111.9	Q134 S135 V136 G162	Q134-H266 PolarHBondContact O-CD2 3.38Å; Q134-H266 VanDerWaalsContact O-CD2 3.26Å; S135-H266 PolarHBondContact O-N 3.45Å; V136-H266 PolarHBondContact O-CD2 3.31Å; V136-H266 PolarHBondContact O-NE2 3.04Å; V136-H266 VanDerWaalsContact O-NE2 3.07Å; G162-H266 WeakPolarHBondContact CA-O 3.44Å; G162-H266 PolarHBondContact N-O 3.39Å
267	S	91.4	Very high	91.1	Very high	46 Å²	46	50.1 Å²	50.1	32%	0.322	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-58.4	147.9	173.8	55.9	0	0	0	0	111.3	V158	V158-S267 WeakPolarHBondContact O-CB 3.46Å
268	I	88.2	Confident	88.4	Confident	38 Å²	38	54.2 Å²	54.2	20%	0.195	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-100.5	150.2	176.6	58.6	172.3	0	0	0	110.3	E163 P190 L271	E163-I268 HydrophobicContact CG-CD1 4.08Å; E163-I268 HydrophobicContact CG-CG2 4.06Å; P190-I268 HydrophobicContact CB-CD1 3.49Å; P190-I268 VanDerWaalsContact CB-CD1 3.49Å; P190-I268 HydrophobicContact CG-CD1 3.4Å; P190-I268 VanDerWaalsContact CG-CD1 3.4Å; I268-L271 HydrophobicContact CD1-CD2 3.66Å; I268-L271 HydrophobicContact CD1-CG 4.36Å; I268-L271 HydrophobicContact CG1-CD2 3.76Å; I268-L271 HydrophobicContact CG1-CG 4.01Å
269	N	87.8	Confident	85.6	Confident	166 Å²	166	61.1 Å²	61.1	89%	0.888	33%	0.328	S	S	*	.	S	Bend	trans	-96.7	-8	-174.4	-66.7	-23.5	0	0	0	113.9
270	N	91.1	Very high	82.6	Confident	61 Å²	61	68.9 Å²	68.9	33%	0.326	36%	0.364	S	S	.	.			trans	-100.1	35.6	-174.8	67.6	-37.1	0	0	0	112.7	Q191 D192	Q191-N270 WeakPolarHBondContact CB-O 3.33Å; Q191-N270 PolarHBondContact N-O 3.35Å; D192-N270 PolarHBondContact OD1-ND2 2.9Å
271	L	91.9	Very high	79.4	Confident	54 Å²	54	74 Å²	74	28%	0.283	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.3	178.7	-65.2	171.6	0	0	0	110.7	V158 V189 Y227 I268	V158-L271 HydrophobicContact CB-CD1 3.62Å; V158-L271 HydrophobicContact CG1-CD1 4.38Å; V158-L271 HydrophobicContact CG2-CD1 3.71Å; V189-L271 CarbonylContact O-C 3.55Å; V189-L271 WeakPolarHBondContact O-CA 3.39Å; Y227-L271 HydrophobicContact CE1-CD2 4.37Å; I268-L271 HydrophobicContact CD1-CD2 3.66Å; I268-L271 HydrophobicContact CD1-CG 4.36Å; I268-L271 HydrophobicContact CG1-CD2 3.76Å; I268-L271 HydrophobicContact CG1-CG 4.01Å
272	I	92.7	Very high	76.5	Confident	50 Å²	50	78.8 Å²	78.8	26%	0.256	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152	171.2	61.1	169.3	0	0	0	110.4	G188 V189 Q191 Y194 Y274	G188-I272 CarbonylContact C-O 3.58Å; G188-I272 WeakPolarHBondContact CA-O 3.41Å; V189-I272 HydrophobicContact CG2-CG1 4.24Å; V189-I272 PolarHBondContact N-O 3.22Å; V189-I272 PolarHBondContact O-N 3.23Å; Q191-I272 HydrophobicContact CB-CD1 4.26Å; Q191-I272 HydrophobicContact CB-CG1 4.32Å; Q191-I272 HydrophobicContact CB-CG2 4.08Å; Q191-I272 HydrophobicContact CG-CD1 4.17Å; Q191-I272 HydrophobicContact CG-CG2 4.34Å; Y194-I272 HydrophobicContact CD2-CD1 3.49Å; Y194-I272 VanDerWaalsContact CD2-CD1 3.49Å; Y194-I272 HydrophobicContact CD2-CG1 4.04Å; Y194-I272 HydrophobicContact CE2-CD1 4.21Å; Y194-I272 HydrophobicContact CG-CD1 3.77Å; I272-Y274 PolarHBondContact O-N 3.17Å
273	P	92.5	Very high	73.9	Confident	96 Å²	96	84 Å²	84	62%	0.623	47%	0.466	S	S	*	.			trans	-54.9	132.9	172.1	-24.3	34.4	0	0	0	110.8
274	Y	91.7	Very high	71.2	Confident	20 Å²	20	87.1 Å²	87.1	8%	0.078	50%	0.498	C	S	.	.	S	Bend	trans	-79.8	-48.3	177.4	-175.8	-112.1	0	0	0	111.3	V186 V189 Y194 L197 N198 L228 I272	V186-Y274 HydrophobicContact CG1-CD1 4.18Å; V186-Y274 HydrophobicContact CG1-CG 4.22Å; V189-Y274 HydrophobicContact CB-CD2 4.43Å; V189-Y274 HydrophobicContact CG1-CD2 3.78Å; V189-Y274 HydrophobicContact CG1-CG 4.06Å; V189-Y274 HydrophobicContact CG2-CD2 3.78Å; V189-Y274 HydrophobicContact CG2-CG 4.44Å; Y194-Y274 HydrophobicContact CD2-CD2 4.29Å; Y194-Y274 HydrophobicContact CE2-CD2 4.19Å; L197-Y274 HydrophobicContact CB-CE2 3.89Å; L197-Y274 PolarHBondContact O-OH 3.43Å; N198-Y274 WeakPolarHBondContact CA-OH 3.19Å; N198-Y274 HydrophobicContact CB-CE2 4.4Å; L228-Y274 HydrophobicContact CD1-CE1 4.15Å; L228-Y274 HydrophobicContact CD1-CE2 4.19Å; L228-Y274 HydrophobicContact CD2-CD1 3.61Å; L228-Y274 HydrophobicContact CD2-CD2 4.11Å; L228-Y274 HydrophobicContact CD2-CE1 3.61Å; L228-Y274 HydrophobicContact CD2-CE2 4.1Å; L228-Y274 HydrophobicContact CD2-CG 3.86Å; I272-Y274 PolarHBondContact O-N 3.17Å
275	Y	87.9	Confident	68.6	Low	61 Å²	61	91.5 Å²	91.5	24%	0.239	53%	0.53	C	S	.	.	S	Bend	trans	-88.7	130.5	172.7	-57.9	-72	0	0	0	109.1	Q183 V186	Q183-Y275 HydrophobicContact CB-CD2 3.76Å; Q183-Y275 HydrophobicContact CB-CE2 3.88Å; Q183-Y275 HydrophobicContact CB-CG 4.29Å; Q183-Y275 HydrophobicContact CG-CD1 4Å; Q183-Y275 HydrophobicContact CG-CD2 3.72Å; Q183-Y275 HydrophobicContact CG-CE1 3.94Å; Q183-Y275 HydrophobicContact CG-CE2 3.65Å; Q183-Y275 HydrophobicContact CG-CG 3.89Å; V186-Y275 HydrophobicContact CB-CD2 4.23Å; V186-Y275 HydrophobicContact CB-CE2 3.74Å; V186-Y275 HydrophobicContact CG1-CE2 4.12Å; V186-Y275 HydrophobicContact CG2-CE2 3.9Å
276	T	74	Confident	66.1	Low	114 Å²	114	99.6 Å²	99.6	70%	0.699	56%	0.563	S	S	*	*			trans	-73.6	126.8	164.9	45.3	0	0	0	0	107.8	V278	T276-V278 PolarHBondContact O-N 2.83Å
277	N	54.5	Low	64	Low	119 Å²	119	105.8 Å²	105.8	64%	0.636	61%	0.607	S	S	*	*			trans	-57	115.3	169.4	-74.5	-2.6	0	0	0	107.4	E279	N277-E279 HydrophobicContact CB-CB 4.22Å; N277-E279 HydrophobicContact CB-CG 3.99Å; N277-E279 PolarHBondContact ND2-OE1 3.44Å; N277-E279 PolarHBondContact O-N 3.4Å
278	V	40.8	Very low	62.6	Low	147 Å²	147	108.8 Å²	108.8	89%	0.891	62%	0.621	S	S	*	*			trans	-74.3	69.4	158.5	-174.1	0	0	0	0	105.7	T276 E280	T276-V278 PolarHBondContact O-N 2.83Å; V278-E280 PolarHBondContact O-N 3.2Å
279	E	40.8	Very low	61.3	Low	146 Å²	146	112.5 Å²	112.5	68%	0.682	64%	0.644	S	S	*	*			trans	-84.5	107.5	171	-95.1	172	-149.1	0	0	108.4	N277	N277-E279 HydrophobicContact CB-CB 4.22Å; N277-E279 HydrophobicContact CB-CG 3.99Å; N277-E279 PolarHBondContact ND2-OE1 3.44Å; N277-E279 PolarHBondContact O-N 3.4Å
280	E	33.5	Very low	59.8	Low	163 Å²	163	109.5 Å²	109.5	76%	0.762	63%	0.63	S	S	*	*			trans	61.1	87.4	149.5	-58.7	-175.4	172.8	0	0	117.6	V278 S282	V278-E280 PolarHBondContact O-N 3.2Å; E280-S282 PolarHBondContact O-N 3.48Å
281	S	33	Very low	58	Low	110 Å²	110	112.4 Å²	112.4	77%	0.769	65%	0.648	S	S	*	*			trans	-64.1	80.6	140.9	61.7	0	0	0	0	108.7	T283	S281-T283 PolarHBondContact O-N 2.79Å
282	S	36.4	Very low	55.9	Low	100 Å²	100	116 Å²	116	70%	0.699	67%	0.671	S	S	*	*			trans	-67	75	155	50.2	0	0	0	0	107.7	E280 G284	E280-S282 PolarHBondContact O-N 3.48Å; S282-G284 VanDerWaalsContact C-N 3.25Å; S282-G284 PolarHBondContact O-N 3.06Å
283	T	43.2	Very low	53.4	Low	125 Å²	125	120.4 Å²	120.4	77%	0.767	70%	0.699	S	S	*	*			trans	-69	97.4	159.9	47.1	0	0	0	0	106.4	S281 V285	S281-T283 PolarHBondContact O-N 2.79Å; T283-V285 PolarHBondContact O-N 3.27Å
284	G	40.5	Very low	50.6	Low	65 Å²	65	122.1 Å²	122.1	67%	0.67	70%	0.704	S	S	*	*			trans	-48.5	128.6	177	0	0	0	0	0	111.6	S282 K286	S282-G284 VanDerWaalsContact C-N 3.25Å; S282-G284 PolarHBondContact O-N 3.06Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 3.36Å
285	V	40.7	Very low	47.5	Very low	140 Å²	140	130 Å²	130	85%	0.848	75%	0.752	S	S	*	*			trans	-60.7	102.9	151.1	177.3	0	0	0	0	106.1	T283	T283-V285 PolarHBondContact O-N 3.27Å
286	K	43	Very low	44.1	Very low	190 Å²	190	135.8 Å²	135.8	83%	0.826	80%	0.795	S	S	*	*			trans	-98.7	133.7	155.5	-82.9	-175.5	175.4	178.9	0	106.7	G284	G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 3.36Å
287	T	48.8	Very low	41.4	Very low	210 Å²	210	137.7 Å²	137.7	100%	1.288	80%	0.804	S	S	*	*			trans	71.3	0	-178.5	56.3	0	0	0	0	117

Retrieved 287 of 287 residues in 92.8 ms (Link to these results)

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