A0A096LPK7_HUMAN Loading...

thioredoxin-disulfide reductase (NADPH)

AlphaFold DB , UniProt , Accession A0A096LPK7, Species HUMAN (Homo sapiens, Human), Gene TXNRD2, Length 463 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	25.7	Very low	32.6	Very low	155 Å²	155	62.6 Å²	62.6	76%	0.764	34%	0.335	S	S	*	.				0	87.8	0	-77.8	-153.7	-87.2	0	0	109.6	K139	M1-K139 HydrophobicContact CB-CD 4.03Å; M1-K139 PolarHBondContact SD-NZ 3.48Å
2	A	24.9	Very low	32.7	Very low	26 Å²	26	64.1 Å²	64.1	22%	0.215	38%	0.375	C	S	.	.			trans	-163.1	84.3	169.1	0	0	0	0	0	108.2	M4	A2-M4 HydrophobicContact CB-CE 3.73Å; A2-M4 HydrophobicContact CB-CG 4.19Å
3	A	26.3	Very low	32.6	Very low	0 Å²	0	64.2 Å²	64.2	0%	0	40%	0.399	C	S	.	.			trans	-75.5	132.7	150.4	0	0	0	0	0	105.5	V45 K139 A140 T169 L306	A3-V45 HydrophobicContact CB-CG1 3.69Å; A3-K139 CarbonylContact O-C 3.51Å; A3-K139 WeakPolarHBondContact O-CA 3.3Å; A3-A140 HydrophobicContact CB-CB 3.91Å; A3-A140 WeakPolarHBondContact O-CB 3.32Å; A3-A140 PolarHBondContact O-N 3.21Å; A3-T169 HydrophobicContact CB-CG2 3.75Å; A3-L306 HydrophobicContact CB-CD2 3.28Å
4	M	38.5	Very low	32.6	Very low	11 Å²	11	77.7 Å²	77.7	5%	0.054	44%	0.439	C	S	.	.			trans	-123.5	-167.7	179.4	-41.7	-155.8	130.5	0	0	110	A2 V45 E57 G58 Y135 F136 N137 I138	A2-M4 HydrophobicContact CB-CE 3.73Å; A2-M4 HydrophobicContact CB-CG 4.19Å; M4-V45 WeakPolarHBondContact O-CA 3.47Å; M4-V45 WeakPolarHBondContact O-CG1 3.38Å; M4-E57 WeakPolarHBondContact CA-OE2 3.27Å; M4-E57 HydrophobicContact CB-CB 4.49Å; M4-E57 HydrophobicContact CB-CG 3.92Å; M4-E57 WeakPolarHBondContact CB-OE2 3.32Å; M4-E57 PolarHBondContact N-OE2 2.95Å; M4-G58 VanDerWaalsContact SD-O 3.34Å; M4-Y135 HydrophobicContact SD-CE2 4.37Å; M4-F136 WeakPolarHBondContact CB-O 3.18Å; M4-N137 VanDerWaalsContact CE-C 3.49Å; M4-N137 WeakPolarHBondContact CE-OD1 3.18Å; M4-N137 HydrophobicContact SD-CB 4.45Å; M4-N137 PolarHBondContact SD-OD1 3.23Å; M4-I138 WeakPolarHBondContact CA-O 3.35Å; M4-I138 WeakPolarHBondContact CB-O 3.44Å; M4-I138 VanDerWaalsContact CE-N 3.3Å; M4-I138 WeakPolarHBondContact CE-O 3.29Å; M4-I138 WeakPolarHBondContact CG-O 3.16Å
5	A	31	Very low	32.2	Very low	0 Å²	0	85.7 Å²	85.7	0%	0	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.2	-175.4	0	0	0	0	0	111.9	L43 V44 F136 I138 L160	A5-L43 HydrophobicContact CB-CD1 3.37Å; A5-L43 HydrophobicContact CB-CD2 4.29Å; A5-L43 HydrophobicContact CB-CG 4.03Å; A5-V44 CarbonylContact C-O 3.57Å; A5-V44 WeakPolarHBondContact CA-O 3.46Å; A5-F136 WeakPolarHBondContact O-CD2 3Å; A5-F136 PolarHBondContact O-N 2.89Å; A5-I138 HydrophobicContact CB-CD1 4.32Å; A5-L160 HydrophobicContact CB-CD1 3.39Å
6	V	34.1	Very low	31.8	Very low	0 Å²	0	94.8 Å²	94.8	0%	0	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.2	173.7	162.1	0	0	0	0	112.5	L43 V44 A55 K56 E57 V133 K134 Y135	V6-L43 CarbonylContact O-C 3.51Å; V6-L43 WeakPolarHBondContact O-CA 3.31Å; V6-V44 PolarHBondContact N-O 2.98Å; V6-V44 PolarHBondContact O-N 3.13Å; V6-A55 HydrophobicContact CB-CB 3.7Å; V6-A55 HydrophobicContact CG1-CB 3.25Å; V6-K56 WeakPolarHBondContact CG2-O 3.49Å; V6-E57 HydrophobicContact CB-CG 4.23Å; V6-E57 HydrophobicContact CG2-CB 4.28Å; V6-E57 HydrophobicContact CG2-CG 3.44Å; V6-E57 VanDerWaalsContact CG2-CG 3.44Å; V6-V133 HydrophobicContact CB-CG1 4.38Å; V6-V133 HydrophobicContact CG1-CG1 3.04Å; V6-V133 HydrophobicContact CG2-CG1 4.42Å; V6-K134 WeakPolarHBondContact CA-O 3.18Å; V6-Y135 HydrophobicContact CG2-CD2 4.37Å
7	A	35.9	Very low	31.2	Very low	3 Å²	3	103.2 Å²	103.2	3%	0.025	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.1	175.4	0	0	0	0	0	117.3	Y40 L42 K134	A7-Y40 HydrophobicContact CB-CD1 2.96Å; A7-Y40 HydrophobicContact CB-CD2 3.7Å; A7-Y40 HydrophobicContact CB-CE1 3.42Å; A7-Y40 VanDerWaalsContact CB-CE1 3.42Å; A7-Y40 HydrophobicContact CB-CE2 4.14Å; A7-Y40 HydrophobicContact CB-CG 3.09Å; A7-L42 VanDerWaalsContact CA-O 3.24Å; A7-L42 WeakPolarHBondContact CA-O 3.46Å; A7-K134 PolarHBondContact N-O 2.81Å; A7-K134 PolarHBondContact O-N 2.93Å; A7-K134 VanDerWaalsContact O-N 3.08Å
8	L	34.3	Very low	30.9	Very low	58 Å²	58	110.4 Å²	110.4	30%	0.304	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.1	169	-79.9	159.9	0	0	0	109.3	L42 V133	L8-L42 HydrophobicContact CD1-CD2 4.49Å; L8-V133 HydrophobicContact CD2-CG2 3.57Å; L8-V133 HydrophobicContact CG-CG2 4.14Å
9	R	33.5	Very low	30.6	Very low	194 Å²	194	111.3 Å²	111.3	73%	0.732	55%	0.55	S	S	*	.			trans	-113.9	124.2	163	-90	-173.1	176.8	-169.9	-3.1	108.3	D41	R9-D41 WeakPolarHBondContact CA-OD2 3.47Å
10	G	32.9	Very low	30.3	Very low	63 Å²	63	115 Å²	115	65%	0.649	57%	0.565	S	S	*	*			trans	-59.8	139	177.6	0	0	0	0	0	113.8	G12 D41	G10-G12 PolarHBondContact O-N 2.81Å; G10-D41 PolarHBondContact N-OD2 2.87Å
11	L	41.1	Very low	30.2	Very low	179 Å²	179	114.3 Å²	114.3	94%	0.937	58%	0.578	S	S	*	*			trans	-83.4	93	165.5	-84.8	160.8	0	0	0	108.6
12	G	33.7	Very low	30.3	Very low	80 Å²	80	113.3 Å²	113.3	83%	0.825	58%	0.58	S	S	*	*			trans	-167.5	79.4	178.6	0	0	0	0	0	113.3	G10	G10-G12 PolarHBondContact O-N 2.81Å
13	G	31.3	Very low	30.5	Very low	66 Å²	66	116.8 Å²	116.8	68%	0.68	61%	0.609	S	S	*	*			trans	169.9	102.5	170.2	0	0	0	0	0	111.9	F15	G13-F15 PolarHBondContact O-N 2.99Å; G13-F15 VanDerWaalsContact O-N 3.08Å
14	R	33.3	Very low	30.7	Very low	253 Å²	253	120.6 Å²	120.6	96%	0.955	65%	0.648	S	S	*	*			trans	-58.1	112.3	169.6	-77.3	179.6	172.4	-165.6	-1.6	108.8
15	F	27.1	Very low	30	Very low	198 Å²	198	123.7 Å²	123.7	87%	0.868	68%	0.683	S	S	*	*			trans	-129.8	126.1	163.5	-98.8	-89.9	0	0	0	111.3	G13	G13-F15 PolarHBondContact O-N 2.99Å; G13-F15 VanDerWaalsContact O-N 3.08Å
16	R	24.7	Very low	30.3	Very low	230 Å²	230	130.4 Å²	130.4	87%	0.868	72%	0.723	S	S	*	*			trans	-58.1	132	177.9	-80	171.2	145.8	-177.5	-6.7	110.3	R18	R16-R18 PolarHBondContact O-N 3.31Å; R16-R18 VanDerWaalsContact O-N 3.14Å
17	W	21.5	Very low	30	Very low	239 Å²	239	141.7 Å²	141.7	91%	0.905	77%	0.766	S	S	*	*			trans	-61	112.8	159.6	-69.2	86.7	0	0	0	108.7
18	R	25.9	Very low	30.2	Very low	232 Å²	232	145.7 Å²	145.7	88%	0.875	81%	0.808	S	S	*	*			trans	-109.4	99.2	151.7	-88	-170.9	172.7	-169.2	-1.1	106.9	R16 Q20	R16-R18 PolarHBondContact O-N 3.31Å; R16-R18 VanDerWaalsContact O-N 3.14Å; R18-Q20 PolarHBondContact O-N 3.34Å
19	T	25.4	Very low	30	Very low	128 Å²	128	147 Å²	147	79%	0.785	83%	0.827	S	S	*	*			trans	-63.9	117.1	161.9	27.6	0	0	0	0	108.2
20	Q	25.3	Very low	30.3	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	83%	0.834	S	S	*	*			trans	-115.4	109.1	154.6	-115.2	-178.8	-13.9	0	0	107	R18	R18-Q20 PolarHBondContact O-N 3.34Å
21	A	27.9	Very low	30.5	Very low	100 Å²	100	151.4 Å²	151.4	83%	0.826	85%	0.846	S	S	*	*			trans	-71	128	167	0	0	0	0	0	108.2
22	V	28	Very low	30	Very low	134 Å²	134	146.3 Å²	146.3	81%	0.812	84%	0.837	S	S	*	*			trans	-137.1	124.1	156	-173.5	0	0	0	0	107.6
23	A	29.9	Very low	30.1	Very low	100 Å²	100	145.9 Å²	145.9	83%	0.826	83%	0.826	S	S	*	*			trans	-76.6	143.7	174.7	0	0	0	0	0	110.9
24	G	28.6	Very low	30.5	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	82%	0.82	S	S	*	*			trans	124.6	117.6	159.1	0	0	0	0	0	116.7
25	G	24.7	Very low	30.7	Very low	76 Å²	76	139.4 Å²	139.4	78%	0.784	82%	0.82	S	S	*	*			trans	58.4	109.2	133.2	0	0	0	0	0	121.7
26	V	36.6	Very low	32.1	Very low	141 Å²	141	133.8 Å²	133.8	86%	0.855	82%	0.818	S	S	*	*			trans	21.8	114.6	146.2	-167.4	0	0	0	0	119.1
27	R	27.6	Very low	34.1	Very low	237 Å²	237	129.5 Å²	129.5	89%	0.894	81%	0.808	S	S	*	*				-178.7	140.9	129.4	-101.5	169.9	-175.8	-163.4	1.3	110.1
28	G	41.1	Very low	37.1	Very low	87 Å²	87	121.7 Å²	121.7	90%	0.897	78%	0.778	S	S	*	*			trans	-59.6	134.7	175.1	0	0	0	0	0	111.4
29	A	30.1	Very low	40	Very low	86 Å²	86	114 Å²	114	71%	0.711	75%	0.754	S	S	*	*			trans	-146.1	109.6	165.5	0	0	0	0	0	107.9	R31	A29-R31 PolarHBondContact O-N 2.83Å; A29-R31 VanDerWaalsContact O-N 3.1Å
30	A	40.2	Very low	43.2	Very low	106 Å²	106	109.3 Å²	109.3	88%	0.876	72%	0.723	S	S	*	*			trans	-52.7	113.1	155.9	0	0	0	0	0	107.1	G32	A30-G32 PolarHBondContact O-N 2.9Å
31	R	35.8	Very low	46.3	Very low	243 Å²	243	103.4 Å²	103.4	92%	0.917	70%	0.697	S	S	*	*			trans	-74.7	110.7	166	-81.9	-174.3	172.3	-173	-2.1	106.4	A29 A33	A29-R31 PolarHBondContact O-N 2.83Å; A29-R31 VanDerWaalsContact O-N 3.1Å; R31-A33 PolarHBondContact O-N 2.98Å
32	G	32.2	Very low	49.4	Very low	72 Å²	72	98.8 Å²	98.8	74%	0.742	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.6	176.9	0	0	0	0	0	110.9	A30	A30-G32 PolarHBondContact O-N 2.9Å
33	A	36.1	Very low	52.6	Low	71 Å²	71	92.4 Å²	92.4	59%	0.587	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-62.4	141.3	161.1	0	0	0	0	0	108.3	R31	R31-A33 PolarHBondContact O-N 2.98Å
34	A	39.7	Very low	55.7	Low	67 Å²	67	87.6 Å²	87.6	55%	0.554	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.2	140.7	170.1	0	0	0	0	0	109.1	G36 Q37	A34-G36 PolarHBondContact O-N 3.24Å; A34-Q37 PolarHBondContact O-N 3.41Å
35	A	36.1	Very low	58.8	Low	116 Å²	116	83.9 Å²	83.9	96%	0.959	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	115.3	178.3	0	0	0	0	0	109.8
36	G	57.7	Low	61.8	Low	80 Å²	80	80.4 Å²	80.4	83%	0.825	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.8	-6.3	-179.2	0	0	0	0	0	116.2	A34	A34-G36 PolarHBondContact O-N 3.24Å
37	Q	65.8	Low	64	Low	141 Å²	141	74 Å²	74	66%	0.659	47%	0.468	S	S	*	.			trans	-94.1	118	178.1	-165.2	166.5	22.3	0	0	111.3	A34	A34-Q37 PolarHBondContact O-N 3.41Å
38	R	85.1	Confident	66.5	Low	74 Å²	74	63.3 Å²	63.3	28%	0.279	43%	0.432	S	S	.	.			trans	-79.3	161.1	176.1	-56.1	-171.6	-164.3	163.4	7.4	111	Y40 H146 A162 D163	R38-Y40 PolarHBondContact O-N 3.31Å; R38-H146 VanDerWaalsContact CZ-ND1 3.29Å; R38-H146 PolarHBondContact NH1-CE1 2.86Å; R38-H146 PolarHBondContact NH1-ND1 3.38Å; R38-H146 PolarHBondContact NH2-CD2 3.39Å; R38-H146 PolarHBondContact NH2-CE1 2.92Å; R38-H146 PolarHBondContact NH2-NE2 3.35Å; R38-A162 WeakPolarHBondContact CD-O 3.48Å; R38-A162 PolarHBondContact NH1-O 3.12Å; R38-D163 WeakPolarHBondContact CD-OD1 3.34Å; R38-D163 WeakPolarHBondContact CG-OD1 3.46Å; R38-D163 IonicContact CZ-OD1 3.72Å; R38-D163 IonicContact NE-OD1 2.77Å; R38-D163 PolarHBondContact NE-OD1 3.21Å; R38-D163 PolarHBondContact NH1-O 3.44Å; R38-D163 IonicContact NH1-OD1 3.95Å
39	D	87.1	Confident	68.1	Low	70 Å²	70	60.1 Å²	60.1	37%	0.374	40%	0.396	S	S	.	.	S	Bend	trans	-64.8	-31.6	-176.6	-60.6	-55.1	0	0	0	112.2	S161	D39-S161 WeakPolarHBondContact CB-O 3.41Å; D39-S161 VanDerWaalsContact CG-OG 3.23Å; D39-S161 PolarHBondContact N-O 2.92Å; D39-S161 PolarHBondContact N-OG 3.25Å; D39-S161 PolarHBondContact OD2-N 3.07Å; D39-S161 PolarHBondContact OD2-OG 3.09Å
40	Y	92.1	Very high	69.4	Low	31 Å²	31	56.3 Å²	56.3	12%	0.122	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.2	-169.4	-60.2	-63.6	0	0	0	113.7	A7 R38 K134 F136 L160 S161 A162 D163	A7-Y40 HydrophobicContact CB-CD1 2.96Å; A7-Y40 HydrophobicContact CB-CD2 3.7Å; A7-Y40 HydrophobicContact CB-CE1 3.42Å; A7-Y40 VanDerWaalsContact CB-CE1 3.42Å; A7-Y40 HydrophobicContact CB-CE2 4.14Å; A7-Y40 HydrophobicContact CB-CG 3.09Å; R38-Y40 PolarHBondContact O-N 3.31Å; Y40-K134 WeakPolarHBondContact OH-CD 3.49Å; Y40-K134 PolarHBondContact OH-NZ 2.79Å; Y40-K134 VanDerWaalsContact OH-NZ 3.1Å; Y40-F136 HydrophobicContact CE2-CE2 4.41Å; Y40-F136 HydrophobicContact CE2-CZ 4.33Å; Y40-F136 WeakPolarHBondContact OH-CZ 3.3Å; Y40-L160 HydrophobicContact CE2-CD2 3.82Å; Y40-S161 PolarHBondContact N-O 3.43Å; Y40-A162 CarbonylContact O-C 3.55Å; Y40-A162 WeakPolarHBondContact O-CA 3.2Å; Y40-A162 WeakPolarHBondContact O-CB 3.42Å; Y40-D163 PolarHBondContact O-N 2.8Å
41	D	90.6	Very high	70.5	Confident	61 Å²	61	51.2 Å²	51.2	33%	0.326	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-34.7	176.4	-51.2	-39.5	0	0	0	111.1	R9 G10 D163 H164	R9-D41 WeakPolarHBondContact CA-OD2 3.47Å; G10-D41 PolarHBondContact N-OD2 2.87Å; D41-D163 WeakPolarHBondContact O-CB 3.25Å; D41-H164 PolarHBondContact O-N 3.05Å
42	L	93.4	Very high	72	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.6	179.7	178.9	65.4	0	0	0	109.3	A7 L8 V44 H164 I166 F364	A7-L42 VanDerWaalsContact CA-O 3.24Å; A7-L42 WeakPolarHBondContact CA-O 3.46Å; L8-L42 HydrophobicContact CD1-CD2 4.49Å; L42-V44 HydrophobicContact CD1-CG2 4.31Å; L42-V44 HydrophobicContact CD2-CG2 3.92Å; L42-V44 HydrophobicContact CG-CG2 3.95Å; L42-H164 CarbonylContact C-O 3.43Å; L42-H164 WeakPolarHBondContact CA-O 3.48Å; L42-H164 HydrophobicContact CD1-CB 3.8Å; L42-I166 HydrophobicContact CD1-CD1 3.77Å; L42-I166 HydrophobicContact CD1-CG1 3.88Å; L42-I166 HydrophobicContact CD2-CD1 4.22Å; L42-F364 HydrophobicContact CB-CE2 4.22Å; L42-F364 HydrophobicContact CB-CZ 3.95Å; L42-F364 HydrophobicContact CD1-CE2 4.33Å; L42-F364 HydrophobicContact CD1-CZ 4.43Å; L42-F364 HydrophobicContact CD2-CE2 4.01Å; L42-F364 HydrophobicContact CG-CE2 4.42Å
43	L	94.5	Very high	72.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.2	164.2	-169.2	66.7	0	0	0	109.4	A5 V6 V45 V148 L160 A162 H164 I165 I166	A5-L43 HydrophobicContact CB-CD1 3.37Å; A5-L43 HydrophobicContact CB-CD2 4.29Å; A5-L43 HydrophobicContact CB-CG 4.03Å; V6-L43 CarbonylContact O-C 3.51Å; V6-L43 WeakPolarHBondContact O-CA 3.31Å; L43-V45 HydrophobicContact CD2-CG2 4.43Å; L43-V45 HydrophobicContact CG-CG2 4.42Å; L43-V148 HydrophobicContact CD2-CB 3.79Å; L43-V148 HydrophobicContact CD2-CG2 3.66Å; L43-L160 HydrophobicContact CD1-CB 4.46Å; L43-L160 HydrophobicContact CD1-CD1 4.26Å; L43-L160 HydrophobicContact CD2-CB 4.28Å; L43-A162 HydrophobicContact CB-CB 3.46Å; L43-A162 VanDerWaalsContact CB-CB 3.46Å; L43-H164 PolarHBondContact N-O 3.03Å; L43-I165 HydrophobicContact CB-CG1 4.29Å; L43-I165 CarbonylContact O-C 3.52Å; L43-I165 WeakPolarHBondContact O-CA 3.31Å; L43-I166 PolarHBondContact O-N 2.83Å
44	V	94.5	Very high	72.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.3	167.3	-179.8	0	0	0	0	108.6	A5 V6 L42 C54 A55 I166 A168	A5-V44 CarbonylContact C-O 3.57Å; A5-V44 WeakPolarHBondContact CA-O 3.46Å; V6-V44 PolarHBondContact N-O 2.98Å; V6-V44 PolarHBondContact O-N 3.13Å; L42-V44 HydrophobicContact CD1-CG2 4.31Å; L42-V44 HydrophobicContact CD2-CG2 3.92Å; L42-V44 HydrophobicContact CG-CG2 3.95Å; V44-C54 HydrophobicContact CG2-CB 3.9Å; V44-A55 HydrophobicContact CB-CB 3.37Å; V44-A55 HydrophobicContact CG1-CB 4.02Å; V44-A55 HydrophobicContact CG2-CB 3.15Å; V44-I166 CarbonylContact C-O 3.58Å; V44-I166 WeakPolarHBondContact CA-O 3.21Å; V44-I166 HydrophobicContact CB-CB 4.46Å; V44-I166 HydrophobicContact CG1-CB 4.29Å; V44-I166 HydrophobicContact CG1-CG2 4.48Å; V44-I166 HydrophobicContact CG2-CB 3.91Å; V44-I166 HydrophobicContact CG2-CD1 4.05Å; V44-I166 HydrophobicContact CG2-CG1 4.32Å; V44-A168 HydrophobicContact CG1-CB 4.36Å
45	V	94.3	Very high	72	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	81.7	178.4	-177.9	0	0	0	0	109.5	A3 M4 L43 E57 A140 V148 I165 I166 A168 T169 L306	A3-V45 HydrophobicContact CB-CG1 3.69Å; M4-V45 WeakPolarHBondContact O-CA 3.47Å; M4-V45 WeakPolarHBondContact O-CG1 3.38Å; L43-V45 HydrophobicContact CD2-CG2 4.43Å; L43-V45 HydrophobicContact CG-CG2 4.42Å; V45-E57 VanDerWaalsContact CA-OE1 3.28Å; V45-E57 WeakPolarHBondContact CA-OE1 3.41Å; V45-E57 PolarHBondContact N-OE1 3.22Å; V45-A140 HydrophobicContact CG1-CB 3.95Å; V45-V148 HydrophobicContact CG2-CG2 4.35Å; V45-I165 HydrophobicContact CG2-CG2 4.18Å; V45-I166 PolarHBondContact N-O 3.35Å; V45-A168 CarbonylContact O-C 3.56Å; V45-A168 PolarHBondContact O-N 3.2Å; V45-T169 HydrophobicContact CG1-CG2 3.98Å; V45-T169 VanDerWaalsContact O-CG2 3.23Å; V45-T169 WeakPolarHBondContact O-CG2 3.23Å; V45-T169 PolarHBondContact O-N 3.27Å; V45-L306 HydrophobicContact CG1-CD2 4.01Å
46	G	87.8	Confident	72.2	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	17%	0.166	C	C	.	.			trans	152.4	131.4	174.6	0	0	0	0	0	113.5	G51 E57 A168	G46-G51 VanDerWaalsContact O-CA 3.26Å; G46-G51 WeakPolarHBondContact O-CA 3.24Å; G46-E57 WeakPolarHBondContact CA-OE2 3.29Å; G46-E57 PolarHBondContact N-OE1 3.25Å; G46-E57 PolarHBondContact N-OE2 2.98Å; G46-A168 WeakPolarHBondContact CA-O 3.21Å
47	G	82.3	Confident	71.3	Confident	6 Å²	6	23.6 Å²	23.6	6%	0.062	13%	0.127	C	C	.	.			trans	-94.5	17.9	-176.5	0	0	0	0	0	120	L52 E57 G64 G65	G47-L52 WeakPolarHBondContact O-CD1 3.45Å; G47-E57 CarbonylContact C-O 3.37Å; G47-E57 VanDerWaalsContact CA-CA 3.4Å; G47-E57 WeakPolarHBondContact CA-O 3.49Å; G47-E57 VanDerWaalsContact N-CB 3.26Å; G47-E57 PolarHBondContact N-OE2 2.9Å; G47-G64 CarbonylContact O-C 3.56Å; G47-G64 PolarHBondContact O-N 2.87Å; G47-G65 PolarHBondContact O-N 3.15Å
48	G	79.7	Confident	69.9	Low	14 Å²	14	16.9 Å²	16.9	14%	0.144	10%	0.096	C	C	.	.	S	Bend	trans	-93.5	-168.1	-179.5	0	0	0	0	0	114	G50 G51 L52	G48-G50 PolarHBondContact O-N 2.84Å; G48-G51 CarbonylContact O-C 3.59Å; G48-G51 PolarHBondContact O-N 2.8Å; G48-L52 WeakPolarHBondContact O-CB 3.33Å; G48-L52 VanDerWaalsContact O-CD1 3.28Å; G48-L52 WeakPolarHBondContact O-CD1 3.27Å; G48-L52 VanDerWaalsContact O-CG 3.22Å; G48-L52 WeakPolarHBondContact O-CG 3.48Å; G48-L52 PolarHBondContact O-N 3.24Å
49	S	75.1	Confident	68.5	Low	20 Å²	20	14.9 Å²	14.9	14%	0.14	9%	0.092	C	C	.	.	H	α-helix	trans	-53.4	-49.1	-173.4	-48.9	0	0	0	0	113.4	A53 T349 I353	S49-A53 WeakPolarHBondContact O-CB 3.07Å; S49-A53 PolarHBondContact O-N 2.75Å; S49-A53 VanDerWaalsContact O-N 3.17Å; S49-T349 WeakPolarHBondContact OG-CG2 3.37Å; S49-T349 PolarHBondContact OG-OG1 2.79Å; S49-I353 WeakPolarHBondContact O-CG1 3.43Å
50	G	58.5	Low	67.1	Low	5 Å²	5	21.8 Å²	21.8	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-69.5	-44.7	177.1	0	0	0	0	0	112.5	G48 A53 C54 I338 A352	G48-G50 PolarHBondContact O-N 2.84Å; G50-A53 WeakPolarHBondContact O-CB 3.35Å; G50-A53 PolarHBondContact O-N 2.8Å; G50-C54 PolarHBondContact O-N 2.74Å; G50-C54 PolarHBondContact O-SG 3.36Å; G50-I338 VanDerWaalsContact C-CD1 3.49Å; G50-I338 WeakPolarHBondContact O-CD1 3.47Å; G50-A352 WeakPolarHBondContact CA-O 3.47Å
51	G	62.2	Low	65.9	Low	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.1	-59.9	174.7	0	0	0	0	0	112	G46 G48 A53 C54 A55	G46-G51 VanDerWaalsContact O-CA 3.26Å; G46-G51 WeakPolarHBondContact O-CA 3.24Å; G48-G51 CarbonylContact O-C 3.59Å; G48-G51 PolarHBondContact O-N 2.8Å; G51-A53 PolarHBondContact O-N 2.72Å; G51-C54 CarbonylContact O-C 3.47Å; G51-C54 VanDerWaalsContact O-CA 3.3Å; G51-C54 WeakPolarHBondContact O-CA 3.43Å; G51-C54 WeakPolarHBondContact O-CB 3.3Å; G51-C54 PolarHBondContact O-N 2.82Å; G51-A55 CarbonylContact C-O 3.57Å; G51-A55 CarbonylContact O-C 3.58Å; G51-A55 VanDerWaalsContact O-C 3.26Å; G51-A55 WeakPolarHBondContact O-CA 3.41Å; G51-A55 PolarHBondContact O-N 2.83Å
52	L	68.3	Low	65.2	Low	15 Å²	15	19.7 Å²	19.7	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-28.2	177.3	-63.6	152.5	0	0	0	114.7	G47 G48 C54 A55 K56 L63 G64 H124	G47-L52 WeakPolarHBondContact O-CD1 3.45Å; G48-L52 WeakPolarHBondContact O-CB 3.33Å; G48-L52 VanDerWaalsContact O-CD1 3.28Å; G48-L52 WeakPolarHBondContact O-CD1 3.27Å; G48-L52 VanDerWaalsContact O-CG 3.22Å; G48-L52 WeakPolarHBondContact O-CG 3.48Å; G48-L52 PolarHBondContact O-N 3.24Å; L52-C54 VanDerWaalsContact C-N 3.29Å; L52-A55 WeakPolarHBondContact CA-O 3.39Å; L52-A55 PolarHBondContact N-O 3.47Å; L52-K56 HydrophobicContact CB-CB 4.23Å; L52-K56 HydrophobicContact CB-CG 3.79Å; L52-K56 HydrophobicContact CD2-CB 3.19Å; L52-K56 HydrophobicContact CD2-CD 4.49Å; L52-K56 HydrophobicContact CD2-CG 3.57Å; L52-K56 HydrophobicContact CG-CB 4.13Å; L52-K56 HydrophobicContact CG-CG 4.19Å; L52-K56 VanDerWaalsContact O-CG 3.3Å; L52-K56 WeakPolarHBondContact O-CG 3.33Å; L52-L63 HydrophobicContact CD2-CD2 4.33Å; L52-L63 HydrophobicContact CD2-CG 4.04Å; L52-G64 VanDerWaalsContact CD1-CA 3.44Å; L52-H124 HydrophobicContact CD2-CB 4.39Å
53	A	44.8	Very low	64.8	Low	32 Å²	32	19.6 Å²	19.6	26%	0.264	10%	0.101	S	C	.	.	H	α-helix	trans	-68.9	-32	172.4	0	0	0	0	0	111.5	S49 G50 G51 I353 R357	S49-A53 WeakPolarHBondContact O-CB 3.07Å; S49-A53 PolarHBondContact O-N 2.75Å; S49-A53 VanDerWaalsContact O-N 3.17Å; G50-A53 WeakPolarHBondContact O-CB 3.35Å; G50-A53 PolarHBondContact O-N 2.8Å; G51-A53 PolarHBondContact O-N 2.72Å; A53-I353 HydrophobicContact CB-CB 4.31Å; A53-I353 HydrophobicContact CB-CG1 4.43Å; A53-I353 HydrophobicContact CB-CG2 4.08Å; A53-R357 HydrophobicContact CB-CG 4.33Å
54	C	25.3	Very low	64.2	Low	9 Å²	9	19.6 Å²	19.6	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-87	-32.9	170.4	-54.7	0	0	0	0	113.4	V44 G50 G51 L52 I166 I338 G356 V360	V44-C54 HydrophobicContact CG2-CB 3.9Å; G50-C54 PolarHBondContact O-N 2.74Å; G50-C54 PolarHBondContact O-SG 3.36Å; G51-C54 CarbonylContact O-C 3.47Å; G51-C54 VanDerWaalsContact O-CA 3.3Å; G51-C54 WeakPolarHBondContact O-CA 3.43Å; G51-C54 WeakPolarHBondContact O-CB 3.3Å; G51-C54 PolarHBondContact O-N 2.82Å; L52-C54 VanDerWaalsContact C-N 3.29Å; C54-I166 HydrophobicContact CB-CD1 3.91Å; C54-I338 WeakPolarHBondContact SG-CD1 3.23Å; C54-G356 VanDerWaalsContact SG-C 3.51Å; C54-G356 WeakPolarHBondContact SG-CA 3.26Å; C54-G356 PolarHBondContact SG-O 2.94Å; C54-V360 HydrophobicContact CB-CG2 3.87Å
55	A	36.2	Very low	63.9	Low	4 Å²	4	19.7 Å²	19.7	3%	0.033	10%	0.102	C	C	.	.	S	Bend	trans	170.1	117.9	-155.1	0	0	0	0	0	112.3	V6 V44 G51 L52 E57	V6-A55 HydrophobicContact CB-CB 3.7Å; V6-A55 HydrophobicContact CG1-CB 3.25Å; V44-A55 HydrophobicContact CB-CB 3.37Å; V44-A55 HydrophobicContact CG1-CB 4.02Å; V44-A55 HydrophobicContact CG2-CB 3.15Å; G51-A55 CarbonylContact C-O 3.57Å; G51-A55 CarbonylContact O-C 3.58Å; G51-A55 VanDerWaalsContact O-C 3.26Å; G51-A55 WeakPolarHBondContact O-CA 3.41Å; G51-A55 PolarHBondContact O-N 2.83Å; L52-A55 WeakPolarHBondContact CA-O 3.39Å; L52-A55 PolarHBondContact N-O 3.47Å; A55-E57 PolarHBondContact O-N 3.15Å
56	K	41.3	Very low	63.7	Low	8 Å²	8	21.5 Å²	21.5	4%	0.035	11%	0.114	C	C	.	.			trans	-89.2	112.1	-161.2	-60.8	167.7	-170.7	176.6	0	115.4	V6 L52 Q127 L128 R131	V6-K56 WeakPolarHBondContact CG2-O 3.49Å; L52-K56 HydrophobicContact CB-CB 4.23Å; L52-K56 HydrophobicContact CB-CG 3.79Å; L52-K56 HydrophobicContact CD2-CB 3.19Å; L52-K56 HydrophobicContact CD2-CD 4.49Å; L52-K56 HydrophobicContact CD2-CG 3.57Å; L52-K56 HydrophobicContact CG-CB 4.13Å; L52-K56 HydrophobicContact CG-CG 4.19Å; L52-K56 VanDerWaalsContact O-CG 3.3Å; L52-K56 WeakPolarHBondContact O-CG 3.33Å; K56-Q127 HydrophobicContact CD-CB 4.31Å; K56-Q127 VanDerWaalsContact NZ-CB 3.3Å; K56-Q127 PolarHBondContact NZ-O 3.24Å; K56-Q127 VanDerWaalsContact NZ-O 3.15Å; K56-L128 HydrophobicContact CB-CD1 3.86Å; K56-L128 HydrophobicContact CB-CD2 3.36Å; K56-L128 HydrophobicContact CB-CG 3.35Å; K56-L128 HydrophobicContact CD-CD2 4.24Å; K56-L128 HydrophobicContact CD-CG 3.88Å; K56-L128 HydrophobicContact CG-CD2 4.24Å; K56-L128 HydrophobicContact CG-CG 4.2Å; K56-L128 VanDerWaalsContact O-CD1 3.28Å; K56-L128 WeakPolarHBondContact O-CD1 3.38Å; K56-L128 WeakPolarHBondContact O-CD2 3.44Å; K56-R131 VanDerWaalsContact NZ-CZ 3.27Å
57	E	39.3	Very low	63.9	Low	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.			trans	-119.8	178.6	-179.7	-91.9	179.7	-125.3	0	0	114.2	M4 V6 V45 G46 G47 A55 L63 G64 Y135	M4-E57 WeakPolarHBondContact CA-OE2 3.27Å; M4-E57 HydrophobicContact CB-CB 4.49Å; M4-E57 HydrophobicContact CB-CG 3.92Å; M4-E57 WeakPolarHBondContact CB-OE2 3.32Å; M4-E57 PolarHBondContact N-OE2 2.95Å; V6-E57 HydrophobicContact CB-CG 4.23Å; V6-E57 HydrophobicContact CG2-CB 4.28Å; V6-E57 HydrophobicContact CG2-CG 3.44Å; V6-E57 VanDerWaalsContact CG2-CG 3.44Å; V45-E57 VanDerWaalsContact CA-OE1 3.28Å; V45-E57 WeakPolarHBondContact CA-OE1 3.41Å; V45-E57 PolarHBondContact N-OE1 3.22Å; G46-E57 WeakPolarHBondContact CA-OE2 3.29Å; G46-E57 PolarHBondContact N-OE1 3.25Å; G46-E57 PolarHBondContact N-OE2 2.98Å; G47-E57 CarbonylContact C-O 3.37Å; G47-E57 VanDerWaalsContact CA-CA 3.4Å; G47-E57 WeakPolarHBondContact CA-O 3.49Å; G47-E57 VanDerWaalsContact N-CB 3.26Å; G47-E57 PolarHBondContact N-OE2 2.9Å; A55-E57 PolarHBondContact O-N 3.15Å; E57-L63 WeakPolarHBondContact O-CD1 3.48Å; E57-L63 WeakPolarHBondContact O-CG 3.41Å; E57-G64 PolarHBondContact O-N 2.8Å; E57-Y135 HydrophobicContact CB-CE2 4.42Å; E57-Y135 HydrophobicContact CG-CD2 4.49Å
58	G	35.2	Very low	64.5	Low	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-178.9	-175.2	0	0	0	0	0	117.6	M4 G62	M4-G58 VanDerWaalsContact SD-O 3.34Å; G58-G62 CarbonylContact C-O 3.53Å; G58-G62 WeakPolarHBondContact CA-O 3.42Å
59	T	55.7	Low	65	Low	32 Å²	32	21.7 Å²	21.7	20%	0.196	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	180	-169.5	67.2	0	0	0	0	111.2	W61 G62	T59-W61 PolarHBondContact O-N 2.85Å; T59-W61 VanDerWaalsContact O-N 3.11Å; T59-W61 PolarHBondContact OG1-N 2.89Å; T59-G62 PolarHBondContact N-O 2.98Å; T59-G62 PolarHBondContact O-N 3.02Å; T59-G62 PolarHBondContact OG1-N 2.97Å; T59-G62 PolarHBondContact OG1-O 2.79Å
60	R	57.4	Low	65.8	Low	215 Å²	215	20.9 Å²	20.9	81%	0.811	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-34	173.2	173.7	179.6	171.7	-169	-3.3	112.7
61	W	66.8	Low	67.6	Low	41 Å²	41	21.4 Å²	21.4	16%	0.155	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-12.8	-177.4	-52	-83.7	0	0	0	113.2	T59 N69 V70 N121 D190 W194	T59-W61 PolarHBondContact O-N 2.85Å; T59-W61 VanDerWaalsContact O-N 3.11Å; T59-W61 PolarHBondContact OG1-N 2.89Å; W61-N69 HydrophobicContact CB-CB 3.63Å; W61-N69 HydrophobicContact CE3-CB 4.45Å; W61-N69 HydrophobicContact CG-CB 4.26Å; W61-N69 PolarHBondContact O-OD1 3.03Å; W61-V70 HydrophobicContact CD2-CG1 3.72Å; W61-V70 HydrophobicContact CE3-CG1 4.04Å; W61-V70 HydrophobicContact CE3-CG2 4.26Å; W61-V70 HydrophobicContact CG-CG1 4.12Å; W61-V70 HydrophobicContact CH2-CG1 4.29Å; W61-V70 HydrophobicContact CH2-CG2 4.39Å; W61-V70 HydrophobicContact CZ2-CG1 4.02Å; W61-V70 HydrophobicContact CZ3-CG1 4.31Å; W61-V70 HydrophobicContact CZ3-CG2 4.06Å; W61-N121 PolarHBondContact O-ND2 2.66Å; W61-N121 VanDerWaalsContact O-ND2 3.07Å; W61-D190 HydrophobicContact CH2-CB 3.95Å; W61-D190 HydrophobicContact CZ2-CB 3.7Å; W61-W194 HydrophobicContact CB-CZ2 4.07Å; W61-W194 AromaticContact CD1-CD1 3.63Å; W61-W194 AromaticContact CD1-CE2 3.64Å; W61-W194 AromaticContact CD1-NE1 3.39Å; W61-W194 HydrophobicContact CG-CZ2 4.5Å; W61-W194 AromaticContact CG-NE1 3.98Å; W61-W194 AromaticContact NE1-CD1 3.8Å; W61-W194 AromaticContact NE1-NE1 3.98Å
62	G	77.6	Confident	69.2	Low	7 Å²	7	24 Å²	24	7%	0.072	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.6	-174.6	-176.2	0	0	0	0	0	113.7	G58 T59 N121	G58-G62 CarbonylContact C-O 3.53Å; G58-G62 WeakPolarHBondContact CA-O 3.42Å; T59-G62 PolarHBondContact N-O 2.98Å; T59-G62 PolarHBondContact O-N 3.02Å; T59-G62 PolarHBondContact OG1-N 2.97Å; T59-G62 PolarHBondContact OG1-O 2.79Å; G62-N121 WeakPolarHBondContact CA-OD1 3.27Å
63	L	84.2	Confident	70.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.5	-174.6	-161.7	89.8	0	0	0	110.8	L52 E57 N121 H124 R125 L128 Y135	L52-L63 HydrophobicContact CD2-CD2 4.33Å; L52-L63 HydrophobicContact CD2-CG 4.04Å; E57-L63 WeakPolarHBondContact O-CD1 3.48Å; E57-L63 WeakPolarHBondContact O-CG 3.41Å; L63-N121 PolarHBondContact N-OD1 2.69Å; L63-N121 PolarHBondContact O-OD1 3.01Å; L63-H124 HydrophobicContact CB-CB 4.35Å; L63-H124 HydrophobicContact CD2-CB 3.37Å; L63-H124 HydrophobicContact CG-CB 4.07Å; L63-H124 PolarHBondContact O-CD2 3.18Å; L63-R125 HydrophobicContact CB-CG 4.39Å; L63-R125 HydrophobicContact CD2-CB 4.41Å; L63-R125 HydrophobicContact CD2-CG 3.77Å; L63-L128 HydrophobicContact CD1-CD1 4.01Å; L63-L128 HydrophobicContact CD2-CD1 3.33Å; L63-L128 HydrophobicContact CD2-CG 4.29Å; L63-L128 HydrophobicContact CG-CD1 4.34Å; L63-Y135 HydrophobicContact CD1-CD1 4.36Å; L63-Y135 HydrophobicContact CD1-CD2 3.78Å; L63-Y135 HydrophobicContact CD1-CE1 4.05Å; L63-Y135 HydrophobicContact CD1-CE2 3.43Å; L63-Y135 VanDerWaalsContact CD1-CE2 3.43Å; L63-Y135 HydrophobicContact CD1-CG 4.23Å
64	G	81.9	Confident	73.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	142.1	-20.2	-169.5	0	0	0	0	0	114.9	G47 L52 E57 V68	G47-G64 CarbonylContact O-C 3.56Å; G47-G64 PolarHBondContact O-N 2.87Å; L52-G64 VanDerWaalsContact CD1-CA 3.44Å; E57-G64 PolarHBondContact O-N 2.8Å; G64-V68 WeakPolarHBondContact O-CG2 3.48Å
65	G	88.4	Confident	76.6	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	62	-157.1	-176.2	0	0	0	0	0	114.1	G47 C67 N69	G47-G65 PolarHBondContact O-N 3.15Å; G65-C67 PolarHBondContact O-N 2.97Å; G65-N69 WeakPolarHBondContact O-CB 3.47Å; G65-N69 PolarHBondContact O-N 3.42Å; G65-N69 VanDerWaalsContact O-N 3.16Å; G65-N69 PolarHBondContact O-ND2 3.26Å
66	T	89.9	Confident	79.6	Confident	40 Å²	40	27.6 Å²	27.6	25%	0.245	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-53	-171.6	-50.4	0	0	0	0	112.3	V68 N69 V70 G71	T66-V68 VanDerWaalsContact C-N 3.35Å; T66-V68 PolarHBondContact O-N 2.88Å; T66-N69 PolarHBondContact O-N 2.77Å; T66-V70 HydrophobicContact CG2-CG2 4.02Å; T66-V70 CarbonylContact O-C 2.96Å; T66-V70 VanDerWaalsContact O-C 3.28Å; T66-V70 PolarHBondContact O-N 3.28Å; T66-G71 WeakPolarHBondContact O-CA 3.33Å; T66-G71 PolarHBondContact O-N 3.42Å
67	C	92.9	Very high	82.3	Confident	13 Å²	13	30.2 Å²	30.2	9%	0.088	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-40.5	-170.9	-173.5	0	0	0	0	113.1	G65 G71 C72 I73 T349	G65-C67 PolarHBondContact O-N 2.97Å; C67-G71 CarbonylContact O-C 3.39Å; C67-C72 HydrophobicContact CB-CB 4.33Å; C67-C72 WeakPolarHBondContact CB-SG 3.44Å; C67-C72 PolarHBondContact O-N 3.2Å; C67-C72 VanDerWaalsContact O-N 3.16Å; C67-C72 WeakPolarHBondContact SG-CB 3.15Å; C67-C72 CovalentContact SG-SG 2.06Å; C67-C72 PolarHBondContact SG-SG 3.1Å; C67-I73 PolarHBondContact O-N 2.86Å; C67-T349 HydrophobicContact CB-CG2 4.31Å; C67-T349 WeakPolarHBondContact CB-OG1 3.24Å; C67-T349 PolarHBondContact SG-OG1 3.09Å; C67-T349 VanDerWaalsContact SG-OG1 3.33Å
68	V	92.9	Very high	85.1	Confident	13 Å²	13	30.2 Å²	30.2	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-43.9	177.9	173.6	0	0	0	0	111.4	G64 T66 P74 V117 L120	G64-V68 WeakPolarHBondContact O-CG2 3.48Å; T66-V68 VanDerWaalsContact C-N 3.35Å; T66-V68 PolarHBondContact O-N 2.88Å; V68-P74 WeakPolarHBondContact O-CD 3.37Å; V68-V117 HydrophobicContact CG1-CG1 4.48Å; V68-V117 WeakPolarHBondContact O-CG2 3.45Å; V68-L120 HydrophobicContact CG1-CB 3.78Å; V68-L120 HydrophobicContact CG1-CD1 4.02Å
69	N	91.1	Very high	88.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-98.4	-34.3	-164.3	-68.7	-79.6	0	0	0	115.3	W61 G65 T66 V117 N121 W194	W61-N69 HydrophobicContact CB-CB 3.63Å; W61-N69 HydrophobicContact CE3-CB 4.45Å; W61-N69 HydrophobicContact CG-CB 4.26Å; W61-N69 PolarHBondContact O-OD1 3.03Å; G65-N69 WeakPolarHBondContact O-CB 3.47Å; G65-N69 PolarHBondContact O-N 3.42Å; G65-N69 VanDerWaalsContact O-N 3.16Å; G65-N69 PolarHBondContact O-ND2 3.26Å; T66-N69 PolarHBondContact O-N 2.77Å; N69-V117 HydrophobicContact CB-CG1 4.41Å; N69-V117 WeakPolarHBondContact OD1-CG1 3.36Å; N69-N121 PolarHBondContact ND2-OD1 2.86Å; N69-N121 PolarHBondContact OD1-ND2 3.01Å; N69-N121 PolarHBondContact OD1-OD1 3.2Å; N69-W194 PolarHBondContact O-NE1 3.28Å
70	V	92.9	Very high	90.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	16%	0.159	C	C	.	.	H	α-helix	trans	-148.1	28.3	-167.8	-68.2	0	0	0	0	111.9	W61 T66 D190 F193	W61-V70 HydrophobicContact CD2-CG1 3.72Å; W61-V70 HydrophobicContact CE3-CG1 4.04Å; W61-V70 HydrophobicContact CE3-CG2 4.26Å; W61-V70 HydrophobicContact CG-CG1 4.12Å; W61-V70 HydrophobicContact CH2-CG1 4.29Å; W61-V70 HydrophobicContact CH2-CG2 4.39Å; W61-V70 HydrophobicContact CZ2-CG1 4.02Å; W61-V70 HydrophobicContact CZ3-CG1 4.31Å; W61-V70 HydrophobicContact CZ3-CG2 4.06Å; T66-V70 HydrophobicContact CG2-CG2 4.02Å; T66-V70 CarbonylContact O-C 2.96Å; T66-V70 VanDerWaalsContact O-C 3.28Å; T66-V70 PolarHBondContact O-N 3.28Å; V70-D190 HydrophobicContact CG1-CB 4.44Å; V70-D190 WeakPolarHBondContact CG2-OD1 3.27Å; V70-F193 HydrophobicContact CB-CD2 4.41Å
71	G	94.8	Very high	92.2	Very high	16 Å²	16	23.2 Å²	23.2	17%	0.165	13%	0.129	C	C	.	.	S	Bend	trans	-149.3	-129.9	-171.7	0	0	0	0	0	111.6	T66 C67 I73 P74 K75	T66-G71 WeakPolarHBondContact O-CA 3.33Å; T66-G71 PolarHBondContact O-N 3.42Å; C67-G71 CarbonylContact O-C 3.39Å; G71-I73 VanDerWaalsContact C-N 3.31Å; G71-I73 PolarHBondContact O-N 3.15Å; G71-I73 VanDerWaalsContact O-N 3.14Å; G71-P74 VanDerWaalsContact O-CD 3.28Å; G71-P74 WeakPolarHBondContact O-CD 3.32Å; G71-P74 WeakPolarHBondContact O-CG 3.39Å; G71-K75 WeakPolarHBondContact O-CB 3.46Å; G71-K75 PolarHBondContact O-N 2.84Å
72	C	95.6	Very high	93.7	Very high	53 Å²	53	21.7 Å²	21.7	36%	0.358	13%	0.126	S	C	.	.	H	α-helix	trans	-49.8	-45.3	-167.9	-19.7	0	0	0	0	114.5	C67 K76	C67-C72 HydrophobicContact CB-CB 4.33Å; C67-C72 WeakPolarHBondContact CB-SG 3.44Å; C67-C72 PolarHBondContact O-N 3.2Å; C67-C72 VanDerWaalsContact O-N 3.16Å; C67-C72 WeakPolarHBondContact SG-CB 3.15Å; C67-C72 CovalentContact SG-SG 2.06Å; C67-C72 PolarHBondContact SG-SG 3.1Å; C72-K76 WeakPolarHBondContact O-CB 3.29Å; C72-K76 PolarHBondContact O-N 3.15Å
73	I	97.9	Very high	94.7	Very high	54 Å²	54	23.3 Å²	23.3	28%	0.277	13%	0.132	S	C	.	.	H	α-helix	trans	-67.5	-62.4	-174.8	-58.8	-60.2	0	0	0	112	C67 G71 K75 K76 L77 V117 L120	C67-I73 PolarHBondContact O-N 2.86Å; G71-I73 VanDerWaalsContact C-N 3.31Å; G71-I73 PolarHBondContact O-N 3.15Å; G71-I73 VanDerWaalsContact O-N 3.14Å; I73-K75 VanDerWaalsContact C-N 3.26Å; I73-K75 PolarHBondContact O-N 2.91Å; I73-K76 PolarHBondContact O-N 3.23Å; I73-L77 HydrophobicContact CG2-CD1 4.17Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 2.71Å; I73-L77 VanDerWaalsContact O-N 3.08Å; I73-V117 HydrophobicContact CG2-CG2 4.44Å; I73-L120 HydrophobicContact CG1-CD1 4.19Å; I73-L120 HydrophobicContact CG2-CD1 3.9Å
74	P	97.8	Very high	95.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-35.3	179.7	25.7	-35.8	0	0	0	112	V68 G71 L77 M78 V113 V117 F193	V68-P74 WeakPolarHBondContact O-CD 3.37Å; G71-P74 VanDerWaalsContact O-CD 3.28Å; G71-P74 WeakPolarHBondContact O-CD 3.32Å; G71-P74 WeakPolarHBondContact O-CG 3.39Å; P74-L77 PolarHBondContact O-N 3.29Å; P74-M78 WeakPolarHBondContact O-CG 3.32Å; P74-M78 PolarHBondContact O-N 2.92Å; P74-V113 HydrophobicContact CB-CG1 3.64Å; P74-V117 HydrophobicContact CB-CG2 4.4Å; P74-F193 HydrophobicContact CB-CB 3.91Å; P74-F193 HydrophobicContact CB-CD1 3.75Å; P74-F193 HydrophobicContact CB-CD2 4.35Å; P74-F193 HydrophobicContact CB-CE1 4.41Å; P74-F193 HydrophobicContact CB-CG 3.73Å; P74-F193 HydrophobicContact CG-CB 4.25Å; P74-F193 HydrophobicContact CG-CD1 4.21Å; P74-F193 HydrophobicContact CG-CD2 3.98Å; P74-F193 HydrophobicContact CG-CE2 4.41Å; P74-F193 HydrophobicContact CG-CG 3.87Å
75	K	98.6	Very high	96.1	Very high	17 Å²	17	28.6 Å²	28.6	7%	0.074	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-48.8	174.2	-179.2	-88.6	-56.5	-149.4	0	112.2	G71 I73 L77 M78 H79 F193 E213 F381	G71-K75 WeakPolarHBondContact O-CB 3.46Å; G71-K75 PolarHBondContact O-N 2.84Å; I73-K75 VanDerWaalsContact C-N 3.26Å; I73-K75 PolarHBondContact O-N 2.91Å; K75-L77 VanDerWaalsContact C-N 3.31Å; K75-L77 PolarHBondContact O-N 2.83Å; K75-M78 PolarHBondContact O-N 3.43Å; K75-H79 WeakPolarHBondContact O-CB 3.4Å; K75-H79 PolarHBondContact O-N 2.86Å; K75-F193 HydrophobicContact CB-CE1 4.03Å; K75-F193 HydrophobicContact CB-CZ 3.82Å; K75-E213 HydrophobicContact CD-CB 4.13Å; K75-E213 HydrophobicContact CD-CG 4.24Å; K75-E213 VanDerWaalsContact CD-OE2 3.24Å; K75-E213 WeakPolarHBondContact CD-OE2 3.47Å; K75-E213 WeakPolarHBondContact CE-OE2 3.17Å; K75-E213 HydrophobicContact CG-CB 4.2Å; K75-E213 IonicContact NZ-OE1 2.65Å; K75-E213 PolarHBondContact NZ-OE1 3.26Å; K75-E213 IonicContact NZ-OE2 3.52Å; K75-E213 PolarHBondContact NZ-OE2 3.32Å; K75-F381 HydrophobicContact CD-CB 4.23Å
76	K	98.7	Very high	96.5	Very high	65 Å²	65	29.3 Å²	29.3	28%	0.283	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-35.4	-179.5	-178.9	59.2	-175.2	-93.7	0	111.6	C72 I73 Q80 F381	C72-K76 WeakPolarHBondContact O-CB 3.29Å; C72-K76 PolarHBondContact O-N 3.15Å; I73-K76 PolarHBondContact O-N 3.23Å; K76-Q80 WeakPolarHBondContact O-CB 3.33Å; K76-Q80 PolarHBondContact O-N 2.89Å; K76-F381 HydrophobicContact CD-CD1 3.79Å; K76-F381 HydrophobicContact CD-CE1 3.91Å; K76-F381 HydrophobicContact CD-CG 4.36Å; K76-F381 HydrophobicContact CD-CZ 4.5Å
77	L	98.8	Very high	96.9	Very high	63 Å²	63	31.8 Å²	31.8	33%	0.33	19%	0.185	S	C	.	.	H	α-helix	trans	-70.2	-38.4	176.4	-67	172.1	0	0	0	112.6	I73 P74 K75 Q80 A81 V113 H116	I73-L77 HydrophobicContact CG2-CD1 4.17Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 2.71Å; I73-L77 VanDerWaalsContact O-N 3.08Å; P74-L77 PolarHBondContact O-N 3.29Å; K75-L77 VanDerWaalsContact C-N 3.31Å; K75-L77 PolarHBondContact O-N 2.83Å; L77-Q80 PolarHBondContact O-N 3.44Å; L77-A81 PolarHBondContact O-N 3.11Å; L77-V113 HydrophobicContact CB-CG1 4.47Å; L77-V113 HydrophobicContact CB-CG2 3.77Å; L77-V113 HydrophobicContact CD1-CG1 4.23Å; L77-V113 HydrophobicContact CD1-CG2 4.28Å; L77-H116 HydrophobicContact CD1-CB 4.32Å
78	M	98.8	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-37	173.4	-69.4	-167.7	178	0	0	112.2	P74 K75 Q80 A81 A82 W106 M109 F193 F217	P74-M78 WeakPolarHBondContact O-CG 3.32Å; P74-M78 PolarHBondContact O-N 2.92Å; K75-M78 PolarHBondContact O-N 3.43Å; M78-Q80 VanDerWaalsContact C-N 3.33Å; M78-Q80 PolarHBondContact O-N 2.8Å; M78-A81 WeakPolarHBondContact O-CB 3.49Å; M78-A81 PolarHBondContact O-N 2.83Å; M78-A82 PolarHBondContact O-N 2.88Å; M78-W106 HydrophobicContact CE-CH2 4.18Å; M78-W106 HydrophobicContact CE-CZ2 4.43Å; M78-W106 HydrophobicContact SD-CH2 4.3Å; M78-M109 HydrophobicContact CB-SD 4.45Å; M78-M109 HydrophobicContact CE-CE 4.01Å; M78-M109 HydrophobicContact CG-CE 4.02Å; M78-M109 HydrophobicContact CG-SD 4.05Å; M78-M109 HydrophobicContact SD-CE 4.01Å; M78-F193 HydrophobicContact CE-CB 4.44Å; M78-F193 HydrophobicContact CE-CD1 3.99Å; M78-F193 HydrophobicContact SD-CD1 3.64Å; M78-F193 HydrophobicContact SD-CE1 4.09Å; M78-F217 HydrophobicContact CB-CB 4.39Å; M78-F217 HydrophobicContact CB-CD1 4.06Å; M78-F217 HydrophobicContact CB-CD2 3.9Å; M78-F217 HydrophobicContact CB-CE1 4.27Å; M78-F217 HydrophobicContact CB-CE2 4.18Å; M78-F217 HydrophobicContact CB-CG 3.89Å; M78-F217 HydrophobicContact CB-CZ 4.38Å; M78-F217 HydrophobicContact SD-CD2 4.31Å; M78-F217 HydrophobicContact SD-CE1 4.44Å; M78-F217 HydrophobicContact SD-CE2 3.69Å; M78-F217 HydrophobicContact SD-CZ 3.79Å
79	H	98.9	Very high	97.2	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-44.6	168.3	175.1	62.7	0	0	0	111.6	K75 A81 A82 L83 F381 T382 E385	K75-H79 WeakPolarHBondContact O-CB 3.4Å; K75-H79 PolarHBondContact O-N 2.86Å; H79-A81 VanDerWaalsContact C-N 3.31Å; H79-A81 PolarHBondContact O-N 2.77Å; H79-A82 WeakPolarHBondContact O-CB 3.42Å; H79-A82 PolarHBondContact O-N 2.87Å; H79-A82 VanDerWaalsContact O-N 3.16Å; H79-L83 WeakPolarHBondContact NE2-CD1 3.43Å; H79-L83 WeakPolarHBondContact O-CG 3.38Å; H79-L83 PolarHBondContact O-N 2.9Å; H79-F381 PolarHBondContact ND1-O 2.96Å; H79-T382 PolarHBondContact CE1-O 3.27Å; H79-E385 IonicContact CD2-OE1 2.7Å; H79-E385 IonicContact CE1-OE1 2.64Å; H79-E385 IonicContact NE2-OE1 3.04Å; H79-E385 PolarHBondContact NE2-OE1 2.83Å
80	Q	98.9	Very high	97.5	Very high	75 Å²	75	40.9 Å²	40.9	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-38.9	175.2	-176.8	60.7	26.9	0	0	112.2	K76 L77 M78 A82 L83 L84	K76-Q80 WeakPolarHBondContact O-CB 3.33Å; K76-Q80 PolarHBondContact O-N 2.89Å; L77-Q80 PolarHBondContact O-N 3.44Å; M78-Q80 VanDerWaalsContact C-N 3.33Å; M78-Q80 PolarHBondContact O-N 2.8Å; Q80-A82 VanDerWaalsContact C-N 3.32Å; Q80-A82 PolarHBondContact O-N 2.79Å; Q80-L83 PolarHBondContact O-N 2.83Å; Q80-L84 HydrophobicContact CG-CD1 4.35Å; Q80-L84 HydrophobicContact CG-CG 4.47Å; Q80-L84 WeakPolarHBondContact O-CB 3.3Å; Q80-L84 VanDerWaalsContact O-CG 3.28Å; Q80-L84 WeakPolarHBondContact O-CG 3.17Å; Q80-L84 PolarHBondContact O-N 3.48Å
81	A	98.8	Very high	97.7	Very high	21 Å²	21	41.6 Å²	41.6	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-41.4	175	0	0	0	0	0	111.8	L77 M78 H79 L84 G85 M109 I221	L77-A81 PolarHBondContact O-N 3.11Å; M78-A81 WeakPolarHBondContact O-CB 3.49Å; M78-A81 PolarHBondContact O-N 2.83Å; H79-A81 VanDerWaalsContact C-N 3.31Å; H79-A81 PolarHBondContact O-N 2.77Å; A81-L84 PolarHBondContact O-N 2.79Å; A81-G85 PolarHBondContact O-N 2.94Å; A81-M109 HydrophobicContact CB-CG 4.18Å; A81-M109 HydrophobicContact CB-SD 3.52Å; A81-M109 VanDerWaalsContact CB-SD 3.52Å; A81-I221 HydrophobicContact CB-CG2 4.34Å
82	A	98.8	Very high	97.9	Very high	10 Å²	10	43.7 Å²	43.7	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-45.5	172.9	0	0	0	0	0	112.5	M78 H79 Q80 L84 G85 G86 F217 I221	M78-A82 PolarHBondContact O-N 2.88Å; H79-A82 WeakPolarHBondContact O-CB 3.42Å; H79-A82 PolarHBondContact O-N 2.87Å; H79-A82 VanDerWaalsContact O-N 3.16Å; Q80-A82 VanDerWaalsContact C-N 3.32Å; Q80-A82 PolarHBondContact O-N 2.79Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 2.7Å; A82-G85 PolarHBondContact O-N 3.34Å; A82-G85 VanDerWaalsContact O-N 3.15Å; A82-G86 PolarHBondContact O-N 3.11Å; A82-F217 HydrophobicContact CB-CB 4.09Å; A82-I221 HydrophobicContact CB-CG2 4.22Å
83	L	98.8	Very high	98	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-39.7	176.3	-69.4	-176.2	0	0	0	112.4	H79 Q80 G85 G86 L87	H79-L83 WeakPolarHBondContact NE2-CD1 3.43Å; H79-L83 WeakPolarHBondContact O-CG 3.38Å; H79-L83 PolarHBondContact O-N 2.9Å; Q80-L83 PolarHBondContact O-N 2.83Å; L83-G85 VanDerWaalsContact C-N 3.26Å; L83-G85 PolarHBondContact O-N 2.86Å; L83-G86 PolarHBondContact O-N 3.18Å; L83-G86 VanDerWaalsContact O-N 3.1Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 2.64Å
84	L	98.6	Very high	98	Very high	85 Å²	85	48 Å²	48	45%	0.445	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-35.7	175.8	-74.7	169.9	0	0	0	112.1	Q80 A81 A82 G86 L87 I88	Q80-L84 HydrophobicContact CG-CD1 4.35Å; Q80-L84 HydrophobicContact CG-CG 4.47Å; Q80-L84 WeakPolarHBondContact O-CB 3.3Å; Q80-L84 VanDerWaalsContact O-CG 3.28Å; Q80-L84 WeakPolarHBondContact O-CG 3.17Å; Q80-L84 PolarHBondContact O-N 3.48Å; A81-L84 PolarHBondContact O-N 2.79Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 2.7Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-G86 PolarHBondContact O-N 2.89Å; L84-L87 HydrophobicContact CD2-CD1 4.29Å; L84-L87 PolarHBondContact O-N 3.11Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 2.94Å
85	G	97.1	Very high	98	Very high	25 Å²	25	51.1 Å²	51.1	26%	0.258	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-43.8	172.2	0	0	0	0	0	112.3	A81 A82 L83 I88 Q89	A81-G85 PolarHBondContact O-N 2.94Å; A82-G85 PolarHBondContact O-N 3.34Å; A82-G85 VanDerWaalsContact O-N 3.15Å; L83-G85 VanDerWaalsContact C-N 3.26Å; L83-G85 PolarHBondContact O-N 2.86Å; G85-I88 PolarHBondContact O-N 2.98Å; G85-Q89 WeakPolarHBondContact O-CG 3.39Å; G85-Q89 PolarHBondContact O-N 3.38Å
86	G	96.1	Very high	98	Very high	18 Å²	18	59 Å²	59	19%	0.186	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-44.4	173.3	0	0	0	0	0	112.8	A82 L83 L84 I88 Q89 D90	A82-G86 PolarHBondContact O-N 3.11Å; L83-G86 PolarHBondContact O-N 3.18Å; L83-G86 VanDerWaalsContact O-N 3.1Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-G86 PolarHBondContact O-N 2.89Å; G86-I88 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 3.02Å; G86-Q89 WeakPolarHBondContact O-CA 3.4Å; G86-Q89 WeakPolarHBondContact O-CB 3.48Å; G86-Q89 PolarHBondContact O-N 2.9Å; G86-D90 VanDerWaalsContact O-CG 3.28Å; G86-D90 PolarHBondContact O-N 3.37Å
87	L	97.4	Very high	97.9	Very high	92 Å²	92	65.6 Å²	65.6	48%	0.482	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-34.1	178	-67.1	174.8	0	0	0	112.9	L83 L84 Q89 D90 A91	L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 2.64Å; L84-L87 HydrophobicContact CD2-CD1 4.29Å; L84-L87 PolarHBondContact O-N 3.11Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.3Å; L87-D90 PolarHBondContact O-N 2.85Å; L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.17Å
88	I	97.5	Very high	97.7	Very high	59 Å²	59	65.2 Å²	65.2	30%	0.303	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-35.5	173.2	-75.1	165.9	0	0	0	111.3	L84 G85 G86 P92 V98 V102	L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 2.94Å; G85-I88 PolarHBondContact O-N 2.98Å; G86-I88 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 3.02Å; I88-P92 WeakPolarHBondContact O-CD 3.34Å; I88-V98 HydrophobicContact CG2-CG1 4.18Å; I88-V102 HydrophobicContact CD1-CG1 4.42Å; I88-V102 HydrophobicContact CG2-CB 4.24Å; I88-V102 HydrophobicContact CG2-CG2 3.84Å
89	Q	95.6	Very high	97.4	Very high	137 Å²	137	69.4 Å²	69.4	64%	0.64	39%	0.385	S	S	*	.	H	α-helix	trans	-73.2	-32.6	174.8	-65	173	6	0	0	112.1	G85 G86 L87 P92	G85-Q89 WeakPolarHBondContact O-CG 3.39Å; G85-Q89 PolarHBondContact O-N 3.38Å; G86-Q89 WeakPolarHBondContact O-CA 3.4Å; G86-Q89 WeakPolarHBondContact O-CB 3.48Å; G86-Q89 PolarHBondContact O-N 2.9Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.3Å; Q89-P92 WeakPolarHBondContact O-CD 3.41Å
90	D	97.3	Very high	96.9	Very high	20 Å²	20	74.1 Å²	74.1	11%	0.107	41%	0.407	C	S	.	.	H	α-helix	trans	-71.4	-33.2	177.2	-63.6	-20.4	0	0	0	111.7	G86 L87 N93 A420 R422	G86-D90 VanDerWaalsContact O-CG 3.28Å; G86-D90 PolarHBondContact O-N 3.37Å; L87-D90 PolarHBondContact O-N 2.85Å; D90-N93 WeakPolarHBondContact O-CB 3.25Å; D90-N93 PolarHBondContact O-N 3.13Å; D90-N93 VanDerWaalsContact O-N 3.08Å; D90-A420 HydrophobicContact CB-CB 3.91Å; D90-R422 VanDerWaalsContact OD1-CD 3.31Å; D90-R422 WeakPolarHBondContact OD1-CD 3.44Å; D90-R422 VanDerWaalsContact OD2-CD 3.31Å; D90-R422 WeakPolarHBondContact OD2-CD 3.38Å; D90-R422 IonicContact OD2-CZ 3.55Å; D90-R422 IonicContact OD2-NH1 2.71Å; D90-R422 PolarHBondContact OD2-NH1 3.27Å
91	A	98.1	Very high	96.5	Very high	19 Å²	19	76.3 Å²	76.3	16%	0.157	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-56.5	-40.6	-169.2	0	0	0	0	0	115.8	L87 N93 Y94 G95 W96 V98	L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.17Å; A91-N93 VanDerWaalsContact C-N 3.27Å; A91-N93 PolarHBondContact O-N 3.41Å; A91-Y94 CarbonylContact O-C 3.54Å; A91-Y94 WeakPolarHBondContact O-CA 3.4Å; A91-Y94 PolarHBondContact O-N 2.87Å; A91-G95 PolarHBondContact O-N 3.03Å; A91-W96 HydrophobicContact CB-CB 3.94Å; A91-W96 HydrophobicContact CB-CG 4.29Å; A91-W96 PolarHBondContact O-N 2.82Å; A91-W96 VanDerWaalsContact O-N 3.14Å; A91-V98 HydrophobicContact CB-CG2 4.2Å
92	P	97.3	Very high	96.2	Very high	59 Å²	59	78.6 Å²	78.6	38%	0.383	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-59.3	-34.2	175.5	-26.6	36.6	0	0	0	114.1	I88 Q89 Y94 G95 W96	I88-P92 WeakPolarHBondContact O-CD 3.34Å; Q89-P92 WeakPolarHBondContact O-CD 3.41Å; P92-Y94 PolarHBondContact O-N 3.47Å; P92-G95 PolarHBondContact O-N 2.95Å; P92-W96 WeakPolarHBondContact CA-O 3.08Å
93	N	97.6	Very high	96	Very high	93 Å²	93	83.8 Å²	83.8	50%	0.497	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-68.2	-18.3	176.8	-64.2	-38.5	0	0	0	112.5	D90 A91 V419 A420	D90-N93 WeakPolarHBondContact O-CB 3.25Å; D90-N93 PolarHBondContact O-N 3.13Å; D90-N93 VanDerWaalsContact O-N 3.08Å; A91-N93 VanDerWaalsContact C-N 3.27Å; A91-N93 PolarHBondContact O-N 3.41Å; N93-V419 HydrophobicContact CB-CG1 4.45Å; N93-V419 WeakPolarHBondContact CB-O 3.36Å; N93-V419 VanDerWaalsContact O-CG1 3.26Å; N93-V419 WeakPolarHBondContact O-CG1 3.42Å; N93-A420 PolarHBondContact ND2-O 2.95Å
94	Y	98.3	Very high	96	Very high	106 Å²	106	85.6 Å²	85.6	42%	0.416	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-98.9	9.1	173.6	-75.7	-88.4	0	0	0	113.5	A91 P92 E416 V419 A420	A91-Y94 CarbonylContact O-C 3.54Å; A91-Y94 WeakPolarHBondContact O-CA 3.4Å; A91-Y94 PolarHBondContact O-N 2.87Å; P92-Y94 PolarHBondContact O-N 3.47Å; Y94-E416 WeakPolarHBondContact OH-CA 3.43Å; Y94-E416 PolarHBondContact OH-O 2.94Å; Y94-V419 HydrophobicContact CD1-CB 4.49Å; Y94-V419 HydrophobicContact CD1-CG1 3.91Å; Y94-V419 HydrophobicContact CD2-CG1 4.04Å; Y94-V419 HydrophobicContact CE1-CB 3.83Å; Y94-V419 HydrophobicContact CE1-CG1 3.75Å; Y94-V419 HydrophobicContact CE1-CG2 4.3Å; Y94-V419 HydrophobicContact CE2-CB 3.98Å; Y94-V419 HydrophobicContact CE2-CG1 3.89Å; Y94-V419 HydrophobicContact CG-CG1 4.06Å; Y94-A420 HydrophobicContact CE2-CB 4.06Å
95	G	97.9	Very high	96	Very high	66 Å²	66	84.6 Å²	84.6	68%	0.68	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	10.3	175	0	0	0	0	0	115.5	A91 P92	A91-G95 PolarHBondContact O-N 3.03Å; P92-G95 PolarHBondContact O-N 2.95Å
96	W	98.1	Very high	96	Very high	182 Å²	182	84 Å²	84	69%	0.689	47%	0.465	S	S	*	.			trans	-87.2	119.7	174.5	-62.7	91.8	0	0	0	111.4	A91 P92 V98	A91-W96 HydrophobicContact CB-CB 3.94Å; A91-W96 HydrophobicContact CB-CG 4.29Å; A91-W96 PolarHBondContact O-N 2.82Å; A91-W96 VanDerWaalsContact O-N 3.14Å; P92-W96 WeakPolarHBondContact CA-O 3.08Å; W96-V98 HydrophobicContact CB-CG2 4.19Å; W96-V98 PolarHBondContact O-N 3.46Å
97	E	96.6	Very high	96.1	Very high	203 Å²	203	90.1 Å²	90.1	95%	0.949	48%	0.482	S	S	*	.			trans	-78	89.6	173.7	-65.3	-176.8	-179.1	0	0	110.7
98	V	95.3	Very high	96.2	Very high	56 Å²	56	92.7 Å²	92.7	34%	0.339	49%	0.489	S	S	.	.			trans	-101	125.1	175.3	-174.3	0	0	0	0	109.6	I88 A91 W96 Q100 V102	I88-V98 HydrophobicContact CG2-CG1 4.18Å; A91-V98 HydrophobicContact CB-CG2 4.2Å; W96-V98 HydrophobicContact CB-CG2 4.19Å; W96-V98 PolarHBondContact O-N 3.46Å; V98-Q100 PolarHBondContact O-N 3.11Å; V98-V102 HydrophobicContact CG1-CG2 3.97Å
99	A	93.1	Very high	96.3	Very high	88 Å²	88	90.7 Å²	90.7	73%	0.727	48%	0.479	S	S	*	.			trans	-65.6	125.7	176.1	0	0	0	0	0	110.9	V102	A99-V102 WeakPolarHBondContact O-CG2 3.25Å
100	Q	88.3	Confident	96.4	Very high	101 Å²	101	84.3 Å²	84.3	47%	0.472	45%	0.45	S	S	.	.	S	Bend	trans	-115.3	149	-178.8	-66.1	-65.9	-15.5	0	0	111.3	V98	V98-Q100 PolarHBondContact O-N 3.11Å
101	P	89.3	Confident	96.4	Very high	121 Å²	121	89 Å²	89	79%	0.786	47%	0.471	S	S	*	.			cis	-78	146.3	-2	32.1	-34.6	0	0	0	112.8	P103	P101-P103 VanDerWaalsContact O-CD 3.3Å; P101-P103 WeakPolarHBondContact O-CD 3.37Å
102	V	94	Very high	96.5	Very high	70 Å²	70	91 Å²	91	42%	0.424	49%	0.488	S	S	.	.			trans	-92.7	107.7	172.2	-177	0	0	0	0	110.1	I88 V98 A99	I88-V102 HydrophobicContact CD1-CG1 4.42Å; I88-V102 HydrophobicContact CG2-CB 4.24Å; I88-V102 HydrophobicContact CG2-CG2 3.84Å; V98-V102 HydrophobicContact CG1-CG2 3.97Å; A99-V102 WeakPolarHBondContact O-CG2 3.25Å
103	P	93.8	Very high	96.5	Very high	118 Å²	118	88.7 Å²	88.7	77%	0.766	47%	0.472	S	S	*	.			trans	-74.1	143.7	179	30.5	-34.7	0	0	0	111.8	P101	P101-P103 VanDerWaalsContact O-CD 3.3Å; P101-P103 WeakPolarHBondContact O-CD 3.37Å
104	H	98.2	Very high	96.5	Very high	80 Å²	80	85.7 Å²	85.7	37%	0.37	46%	0.455	S	S	.	.			trans	-90.8	138.5	171.3	178.4	-93.9	0	0	0	111.4	M109	H104-M109 PolarHBondContact NE2-SD 3.37Å
105	D	98.4	Very high	96.5	Very high	64 Å²	64	84.2 Å²	84.2	34%	0.342	46%	0.455	S	S	.	.			trans	-109.7	104.5	177.3	-175.8	-27.3	0	0	0	110.3	R107 K108 M109	D105-R107 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.36Å; D105-R107 PolarHBondContact OD1-N 3.31Å; D105-K108 HydrophobicContact CB-CB 4.14Å; D105-K108 HydrophobicContact CB-CD 4Å; D105-K108 HydrophobicContact CB-CG 4.21Å; D105-K108 PolarHBondContact O-N 3.13Å; D105-K108 PolarHBondContact OD1-N 3.28Å; D105-K108 VanDerWaalsContact OD1-N 3.11Å; D105-K108 VanDerWaalsContact OD2-CD 3.24Å; D105-K108 WeakPolarHBondContact OD2-CD 3.24Å; D105-K108 WeakPolarHBondContact OD2-CE 3.3Å; D105-K108 WeakPolarHBondContact OD2-CG 3.13Å; D105-K108 IonicContact OD2-NZ 2.88Å; D105-M109 PolarHBondContact O-N 3.41Å; D105-M109 VanDerWaalsContact O-N 3.13Å
106	W	98.7	Very high	96.6	Very high	13 Å²	13	85 Å²	85	5%	0.049	44%	0.44	C	S	.	.	H	α-helix	trans	-55.8	-44.2	179	175	-89	0	0	0	112.5	M78 K108 M109 A110 I192 L195 E197 P199 L218 I221	M78-W106 HydrophobicContact CE-CH2 4.18Å; M78-W106 HydrophobicContact CE-CZ2 4.43Å; M78-W106 HydrophobicContact SD-CH2 4.3Å; W106-K108 PolarHBondContact O-N 2.98Å; W106-M109 HydrophobicContact CD2-CE 4.22Å; W106-M109 HydrophobicContact CE3-CE 3.57Å; W106-M109 HydrophobicContact CH2-CE 4.26Å; W106-M109 HydrophobicContact CZ3-CE 3.61Å; W106-M109 PolarHBondContact O-N 2.97Å; W106-A110 VanDerWaalsContact O-CB 3.25Å; W106-A110 WeakPolarHBondContact O-CB 3.22Å; W106-A110 PolarHBondContact O-N 3.49Å; W106-I192 HydrophobicContact CH2-CG1 4.38Å; W106-I192 WeakPolarHBondContact CZ2-O 3.35Å; W106-L195 HydrophobicContact CZ2-CB 4Å; W106-L195 PolarHBondContact NE1-O 2.71Å; W106-L195 VanDerWaalsContact NE1-O 3.1Å; W106-E197 PolarHBondContact NE1-O 2.78Å; W106-E197 VanDerWaalsContact NE1-O 3.15Å; W106-P199 HydrophobicContact CH2-CG 4.14Å; W106-P199 HydrophobicContact CZ3-CG 4.07Å; W106-L218 HydrophobicContact CZ3-CD2 4.11Å; W106-I221 HydrophobicContact CE3-CD1 3.85Å; W106-I221 HydrophobicContact CZ3-CD1 3.86Å
107	R	98.5	Very high	96.4	Very high	146 Å²	146	76.3 Å²	76.3	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-65.9	-42.7	-173.4	-66.9	-174.1	-178.3	167.2	1.5	110.5	D105 A110 E111 E197	D105-R107 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.36Å; D105-R107 PolarHBondContact OD1-N 3.31Å; R107-A110 PolarHBondContact O-N 3.14Å; R107-E111 VanDerWaalsContact O-CB 3.25Å; R107-E111 WeakPolarHBondContact O-CB 3.48Å; R107-E111 PolarHBondContact O-N 2.86Å; R107-E197 IonicContact CZ-OE1 3.05Å; R107-E197 VanDerWaalsContact CZ-OE1 3.29Å; R107-E197 IonicContact CZ-OE2 3.9Å; R107-E197 IonicContact NE-OE1 2.75Å; R107-E197 PolarHBondContact NE-OE1 3.31Å; R107-E197 IonicContact NE-OE2 3.94Å; R107-E197 PolarHBondContact NE-OE2 3.02Å; R107-E197 IonicContact NH2-OE1 2.92Å; R107-E197 PolarHBondContact NH2-OE1 2.71Å; R107-E197 IonicContact NH2-OE2 3.58Å; R107-E197 PolarHBondContact NH2-OE2 3.04Å
108	K	98.6	Very high	96.3	Very high	145 Å²	145	71.5 Å²	71.5	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-62.6	-45.7	175.6	-72.3	178.6	-171.9	164	0	112.1	D105 W106 A112	D105-K108 HydrophobicContact CB-CB 4.14Å; D105-K108 HydrophobicContact CB-CD 4Å; D105-K108 HydrophobicContact CB-CG 4.21Å; D105-K108 PolarHBondContact O-N 3.13Å; D105-K108 PolarHBondContact OD1-N 3.28Å; D105-K108 VanDerWaalsContact OD1-N 3.11Å; D105-K108 VanDerWaalsContact OD2-CD 3.24Å; D105-K108 WeakPolarHBondContact OD2-CD 3.24Å; D105-K108 WeakPolarHBondContact OD2-CE 3.3Å; D105-K108 WeakPolarHBondContact OD2-CG 3.13Å; D105-K108 IonicContact OD2-NZ 2.88Å; W106-K108 PolarHBondContact O-N 2.98Å; K108-A112 WeakPolarHBondContact O-CB 3.36Å; K108-A112 PolarHBondContact O-N 2.95Å
109	M	98.8	Very high	96.4	Very high	18 Å²	18	71.8 Å²	71.8	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-60.6	-52	176.2	-179.8	-171.3	67.3	0	0	110.9	M78 A81 H104 D105 W106 E111 A112 V113 I221	M78-M109 HydrophobicContact CB-SD 4.45Å; M78-M109 HydrophobicContact CE-CE 4.01Å; M78-M109 HydrophobicContact CG-CE 4.02Å; M78-M109 HydrophobicContact CG-SD 4.05Å; M78-M109 HydrophobicContact SD-CE 4.01Å; A81-M109 HydrophobicContact CB-CG 4.18Å; A81-M109 HydrophobicContact CB-SD 3.52Å; A81-M109 VanDerWaalsContact CB-SD 3.52Å; H104-M109 PolarHBondContact NE2-SD 3.37Å; D105-M109 PolarHBondContact O-N 3.41Å; D105-M109 VanDerWaalsContact O-N 3.13Å; W106-M109 HydrophobicContact CD2-CE 4.22Å; W106-M109 HydrophobicContact CE3-CE 3.57Å; W106-M109 HydrophobicContact CH2-CE 4.26Å; W106-M109 HydrophobicContact CZ3-CE 3.61Å; W106-M109 PolarHBondContact O-N 2.97Å; M109-E111 VanDerWaalsContact C-N 3.35Å; M109-E111 PolarHBondContact O-N 3.43Å; M109-A112 PolarHBondContact O-N 3.06Å; M109-V113 HydrophobicContact CG-CG2 4.37Å; M109-V113 WeakPolarHBondContact O-CB 3.48Å; M109-V113 VanDerWaalsContact O-CG2 3.3Å; M109-V113 WeakPolarHBondContact O-CG2 3.08Å; M109-V113 PolarHBondContact O-N 2.83Å; M109-I221 HydrophobicContact CE-CD1 3.96Å; M109-I221 HydrophobicContact SD-CG2 4.42Å
110	A	98.3	Very high	96.5	Very high	3 Å²	3	70 Å²	70	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-44.6	-178.8	0	0	0	0	0	111.4	W106 R107 Q114	W106-A110 VanDerWaalsContact O-CB 3.25Å; W106-A110 WeakPolarHBondContact O-CB 3.22Å; W106-A110 PolarHBondContact O-N 3.49Å; R107-A110 PolarHBondContact O-N 3.14Å; A110-Q114 VanDerWaalsContact O-CB 3.25Å; A110-Q114 WeakPolarHBondContact O-CB 3.22Å; A110-Q114 WeakPolarHBondContact O-CG 3.26Å; A110-Q114 PolarHBondContact O-N 2.86Å
111	E	98.5	Very high	96.6	Very high	118 Å²	118	65.4 Å²	65.4	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-61.5	-47.9	176.4	-179.2	173	-165.5	0	0	112	R107 M109 V113 Q114 N115	R107-E111 VanDerWaalsContact O-CB 3.25Å; R107-E111 WeakPolarHBondContact O-CB 3.48Å; R107-E111 PolarHBondContact O-N 2.86Å; M109-E111 VanDerWaalsContact C-N 3.35Å; M109-E111 PolarHBondContact O-N 3.43Å; E111-V113 PolarHBondContact O-N 3.39Å; E111-Q114 PolarHBondContact O-N 2.87Å; E111-N115 VanDerWaalsContact O-CB 3.31Å; E111-N115 WeakPolarHBondContact O-CB 3.44Å; E111-N115 PolarHBondContact O-N 2.86Å; E111-N115 PolarHBondContact O-ND2 2.74Å
112	A	98.8	Very high	96.8	Very high	61 Å²	61	67.8 Å²	67.8	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-46.1	179.4	0	0	0	0	0	111.9	K108 M109 N115 H116	K108-A112 WeakPolarHBondContact O-CB 3.36Å; K108-A112 PolarHBondContact O-N 2.95Å; M109-A112 PolarHBondContact O-N 3.06Å; A112-N115 PolarHBondContact O-N 2.86Å; A112-H116 PolarHBondContact O-N 2.83Å; A112-H116 VanDerWaalsContact O-N 3.08Å
113	V	98.6	Very high	96.7	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-48.5	176.5	171.7	0	0	0	0	110.8	P74 L77 M109 E111 N115 H116 V117	P74-V113 HydrophobicContact CB-CG1 3.64Å; L77-V113 HydrophobicContact CB-CG1 4.47Å; L77-V113 HydrophobicContact CB-CG2 3.77Å; L77-V113 HydrophobicContact CD1-CG1 4.23Å; L77-V113 HydrophobicContact CD1-CG2 4.28Å; M109-V113 HydrophobicContact CG-CG2 4.37Å; M109-V113 WeakPolarHBondContact O-CB 3.48Å; M109-V113 VanDerWaalsContact O-CG2 3.3Å; M109-V113 WeakPolarHBondContact O-CG2 3.08Å; M109-V113 PolarHBondContact O-N 2.83Å; E111-V113 PolarHBondContact O-N 3.39Å; V113-N115 VanDerWaalsContact C-N 3.31Å; V113-N115 PolarHBondContact O-N 2.91Å; V113-H116 WeakPolarHBondContact O-CB 3.27Å; V113-H116 PolarHBondContact O-N 2.98Å; V113-V117 WeakPolarHBondContact O-CG2 3.37Å; V113-V117 PolarHBondContact O-N 3.1Å
114	Q	97.3	Very high	96.4	Very high	30 Å²	30	61.6 Å²	61.6	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-34.6	-179.7	-70.9	166.5	23.4	0	0	112.3	A110 E111 V117 K118 F193 W194	A110-Q114 VanDerWaalsContact O-CB 3.25Å; A110-Q114 WeakPolarHBondContact O-CB 3.22Å; A110-Q114 WeakPolarHBondContact O-CG 3.26Å; A110-Q114 PolarHBondContact O-N 2.86Å; E111-Q114 PolarHBondContact O-N 2.87Å; Q114-V117 PolarHBondContact O-N 2.8Å; Q114-K118 WeakPolarHBondContact O-CB 3.44Å; Q114-K118 WeakPolarHBondContact O-CG 3.41Å; Q114-K118 PolarHBondContact O-N 2.72Å; Q114-F193 PolarHBondContact NE2-O 2.74Å; Q114-F193 VanDerWaalsContact NE2-O 3.13Å; Q114-W194 HydrophobicContact CB-CE3 4.41Å; Q114-W194 HydrophobicContact CB-CH2 4.25Å; Q114-W194 HydrophobicContact CB-CZ3 3.9Å; Q114-W194 HydrophobicContact CG-CD2 4.17Å; Q114-W194 HydrophobicContact CG-CE3 3.64Å; Q114-W194 HydrophobicContact CG-CH2 4.16Å; Q114-W194 HydrophobicContact CG-CZ3 3.63Å
115	N	98.4	Very high	96	Very high	76 Å²	76	63.1 Å²	63.1	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-40.2	175.1	-73.1	-17.7	0	0	0	111.4	E111 A112 V113 K118 S119	E111-N115 VanDerWaalsContact O-CB 3.31Å; E111-N115 WeakPolarHBondContact O-CB 3.44Å; E111-N115 PolarHBondContact O-N 2.86Å; E111-N115 PolarHBondContact O-ND2 2.74Å; A112-N115 PolarHBondContact O-N 2.86Å; V113-N115 VanDerWaalsContact C-N 3.31Å; V113-N115 PolarHBondContact O-N 2.91Å; N115-K118 PolarHBondContact O-N 3.38Å; N115-S119 PolarHBondContact O-N 3Å
116	H	98.4	Very high	95.7	Very high	81 Å²	81	62 Å²	62	38%	0.375	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-46.1	171.5	-176.7	75.8	0	0	0	111.9	L77 A112 V113 K118 S119 L120	L77-H116 HydrophobicContact CD1-CB 4.32Å; A112-H116 PolarHBondContact O-N 2.83Å; A112-H116 VanDerWaalsContact O-N 3.08Å; V113-H116 WeakPolarHBondContact O-CB 3.27Å; V113-H116 PolarHBondContact O-N 2.98Å; H116-K118 VanDerWaalsContact C-N 3.32Å; H116-K118 PolarHBondContact O-N 3.33Å; H116-S119 PolarHBondContact O-N 2.96Å; H116-S119 VanDerWaalsContact O-N 3.11Å; H116-S119 PolarHBondContact O-OG 3.03Å; H116-L120 PolarHBondContact O-N 3.49Å; H116-L120 VanDerWaalsContact O-N 3.08Å
117	V	95.4	Very high	95.1	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-42.6	175.8	171.2	0	0	0	0	111.6	V68 N69 I73 P74 V113 Q114 S119 L120 N121 W194	V68-V117 HydrophobicContact CG1-CG1 4.48Å; V68-V117 WeakPolarHBondContact O-CG2 3.45Å; N69-V117 HydrophobicContact CB-CG1 4.41Å; N69-V117 WeakPolarHBondContact OD1-CG1 3.36Å; I73-V117 HydrophobicContact CG2-CG2 4.44Å; P74-V117 HydrophobicContact CB-CG2 4.4Å; V113-V117 WeakPolarHBondContact O-CG2 3.37Å; V113-V117 PolarHBondContact O-N 3.1Å; Q114-V117 PolarHBondContact O-N 2.8Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.48Å; V117-L120 PolarHBondContact O-N 3.26Å; V117-N121 PolarHBondContact O-N 2.92Å; V117-N121 PolarHBondContact O-ND2 3.13Å; V117-W194 HydrophobicContact CG1-CH2 4.36Å; V117-W194 HydrophobicContact CG1-CZ2 3.87Å
118	K	94.5	Very high	94.6	Very high	102 Å²	102	58.4 Å²	58.4	44%	0.443	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-35.7	175.6	-72.4	166.8	-166.8	163.2	0	112.6	Q114 N115 H116 N121 W122	Q114-K118 WeakPolarHBondContact O-CB 3.44Å; Q114-K118 WeakPolarHBondContact O-CG 3.41Å; Q114-K118 PolarHBondContact O-N 2.72Å; N115-K118 PolarHBondContact O-N 3.38Å; H116-K118 VanDerWaalsContact C-N 3.32Å; H116-K118 PolarHBondContact O-N 3.33Å; K118-N121 WeakPolarHBondContact O-CB 3.14Å; K118-N121 PolarHBondContact O-N 2.82Å; K118-W122 PolarHBondContact O-N 3.41Å
119	S	97.4	Very high	94.1	Very high	61 Å²	61	58.2 Å²	58.2	43%	0.427	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-38.3	176.5	81.7	0	0	0	0	111.5	N115 H116 V117 W122 G123	N115-S119 PolarHBondContact O-N 3Å; H116-S119 PolarHBondContact O-N 2.96Å; H116-S119 VanDerWaalsContact O-N 3.11Å; H116-S119 PolarHBondContact O-OG 3.03Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.48Å; S119-W122 PolarHBondContact O-N 3.4Å; S119-G123 PolarHBondContact O-N 3.31Å
120	L	94.1	Very high	93.6	Very high	50 Å²	50	63 Å²	63	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-44.3	172.5	-64.1	178.4	0	0	0	111.9	V68 I73 H116 V117 W122 G123 H124	V68-L120 HydrophobicContact CG1-CB 3.78Å; V68-L120 HydrophobicContact CG1-CD1 4.02Å; I73-L120 HydrophobicContact CG1-CD1 4.19Å; I73-L120 HydrophobicContact CG2-CD1 3.9Å; H116-L120 PolarHBondContact O-N 3.49Å; H116-L120 VanDerWaalsContact O-N 3.08Å; V117-L120 PolarHBondContact O-N 3.26Å; L120-W122 VanDerWaalsContact C-N 3.26Å; L120-W122 PolarHBondContact O-N 2.85Å; L120-G123 PolarHBondContact O-N 3.49Å; L120-G123 VanDerWaalsContact O-N 3.15Å; L120-H124 PolarHBondContact O-CD2 3.09Å; L120-H124 VanDerWaalsContact O-CD2 3.29Å; L120-H124 PolarHBondContact O-N 3.28Å
121	N	91.4	Very high	93.1	Very high	6 Å²	6	70.2 Å²	70.2	3%	0.032	34%	0.342	C	S	.	.	H	α-helix	trans	-55.6	-42.8	174	-74.5	-42.8	0	0	0	111.8	W61 G62 L63 N69 V117 K118 R125	W61-N121 PolarHBondContact O-ND2 2.66Å; W61-N121 VanDerWaalsContact O-ND2 3.07Å; G62-N121 WeakPolarHBondContact CA-OD1 3.27Å; L63-N121 PolarHBondContact N-OD1 2.69Å; L63-N121 PolarHBondContact O-OD1 3.01Å; N69-N121 PolarHBondContact ND2-OD1 2.86Å; N69-N121 PolarHBondContact OD1-ND2 3.01Å; N69-N121 PolarHBondContact OD1-OD1 3.2Å; V117-N121 PolarHBondContact O-N 2.92Å; V117-N121 PolarHBondContact O-ND2 3.13Å; K118-N121 WeakPolarHBondContact O-CB 3.14Å; K118-N121 PolarHBondContact O-N 2.82Å; N121-R125 WeakPolarHBondContact O-CG 3.39Å; N121-R125 PolarHBondContact O-N 3.13Å
122	W	92.6	Very high	92.7	Very high	171 Å²	171	72.7 Å²	72.7	65%	0.648	35%	0.351	S	S	*	.	H	α-helix	trans	-67.5	-45.4	175.2	177.5	84.2	0	0	0	112	K118 S119 L120 H124 R125 V126	K118-W122 PolarHBondContact O-N 3.41Å; S119-W122 PolarHBondContact O-N 3.4Å; L120-W122 VanDerWaalsContact C-N 3.26Å; L120-W122 PolarHBondContact O-N 2.85Å; W122-H124 VanDerWaalsContact C-N 3.3Å; W122-H124 PolarHBondContact O-N 3.3Å; W122-R125 WeakPolarHBondContact O-CA 3.32Å; W122-R125 WeakPolarHBondContact O-CB 3.5Å; W122-R125 PolarHBondContact O-N 3.4Å; W122-V126 HydrophobicContact CD2-CG2 3.9Å; W122-V126 HydrophobicContact CE3-CG2 4.19Å; W122-V126 HydrophobicContact CH2-CG2 3.85Å; W122-V126 HydrophobicContact CZ2-CG2 3.52Å; W122-V126 HydrophobicContact CZ3-CG2 4.16Å; W122-V126 PolarHBondContact O-N 2.91Å
123	G	92.3	Very high	92.1	Very high	21 Å²	21	70.6 Å²	70.6	22%	0.216	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-43.4	177.4	0	0	0	0	0	112.4	S119 L120 R125 V126 Q127	S119-G123 PolarHBondContact O-N 3.31Å; L120-G123 PolarHBondContact O-N 3.49Å; L120-G123 VanDerWaalsContact O-N 3.15Å; G123-R125 VanDerWaalsContact C-N 3.33Å; G123-R125 PolarHBondContact O-N 2.96Å; G123-V126 PolarHBondContact O-N 3.34Å; G123-Q127 WeakPolarHBondContact O-CB 3.44Å; G123-Q127 WeakPolarHBondContact O-CG 3.37Å; G123-Q127 PolarHBondContact O-N 3.1Å
124	H	88.3	Confident	91.7	Very high	37 Å²	37	75.1 Å²	75.1	17%	0.171	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-34.1	174.7	-72.3	-54.9	0	0	0	113	L52 L63 L120 W122 L128	L52-H124 HydrophobicContact CD2-CB 4.39Å; L63-H124 HydrophobicContact CB-CB 4.35Å; L63-H124 HydrophobicContact CD2-CB 3.37Å; L63-H124 HydrophobicContact CG-CB 4.07Å; L63-H124 PolarHBondContact O-CD2 3.18Å; L120-H124 PolarHBondContact O-CD2 3.09Å; L120-H124 VanDerWaalsContact O-CD2 3.29Å; L120-H124 PolarHBondContact O-N 3.28Å; W122-H124 VanDerWaalsContact C-N 3.3Å; W122-H124 PolarHBondContact O-N 3.3Å; H124-L128 PolarHBondContact O-N 3.28Å
125	R	89.1	Confident	91.2	Very high	111 Å²	111	76.6 Å²	76.6	42%	0.419	36%	0.355	S	S	.	.	H	α-helix	trans	-68.7	-41.1	175.4	-73.1	178.8	-175.3	141.3	1.5	112.7	L63 N121 W122 G123 L128 Q129	L63-R125 HydrophobicContact CB-CG 4.39Å; L63-R125 HydrophobicContact CD2-CB 4.41Å; L63-R125 HydrophobicContact CD2-CG 3.77Å; N121-R125 WeakPolarHBondContact O-CG 3.39Å; N121-R125 PolarHBondContact O-N 3.13Å; W122-R125 WeakPolarHBondContact O-CA 3.32Å; W122-R125 WeakPolarHBondContact O-CB 3.5Å; W122-R125 PolarHBondContact O-N 3.4Å; G123-R125 VanDerWaalsContact C-N 3.33Å; G123-R125 PolarHBondContact O-N 2.96Å; R125-L128 VanDerWaalsContact O-CB 3.31Å; R125-L128 WeakPolarHBondContact O-CB 3.32Å; R125-L128 PolarHBondContact O-N 2.99Å; R125-Q129 WeakPolarHBondContact O-CG 3.19Å; R125-Q129 PolarHBondContact O-N 2.86Å
126	V	91.8	Very high	90.8	Very high	40 Å²	40	73.9 Å²	73.9	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-50.5	174.6	172.8	0	0	0	0	109.6	W122 G123 L128 Q129 D130	W122-V126 HydrophobicContact CD2-CG2 3.9Å; W122-V126 HydrophobicContact CE3-CG2 4.19Å; W122-V126 HydrophobicContact CH2-CG2 3.85Å; W122-V126 HydrophobicContact CZ2-CG2 3.52Å; W122-V126 HydrophobicContact CZ3-CG2 4.16Å; W122-V126 PolarHBondContact O-N 2.91Å; G123-V126 PolarHBondContact O-N 3.34Å; V126-L128 PolarHBondContact O-N 2.73Å; V126-L128 VanDerWaalsContact O-N 3.11Å; V126-Q129 WeakPolarHBondContact O-CB 3.13Å; V126-Q129 PolarHBondContact O-N 2.95Å; V126-D130 VanDerWaalsContact O-CG 3.31Å; V126-D130 PolarHBondContact O-N 2.89Å
127	Q	86.8	Confident	90.3	Very high	80 Å²	80	74.4 Å²	74.4	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-59.6	-23.6	178.1	-95.3	-165.5	30.9	0	0	115.8	K56 G123 R131	K56-Q127 HydrophobicContact CD-CB 4.31Å; K56-Q127 VanDerWaalsContact NZ-CB 3.3Å; K56-Q127 PolarHBondContact NZ-O 3.24Å; K56-Q127 VanDerWaalsContact NZ-O 3.15Å; G123-Q127 WeakPolarHBondContact O-CB 3.44Å; G123-Q127 WeakPolarHBondContact O-CG 3.37Å; G123-Q127 PolarHBondContact O-N 3.1Å; Q127-R131 WeakPolarHBondContact O-CG 3.49Å
128	L	86.7	Confident	89.9	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-72.9	-50.9	170.2	-95.4	167.6	0	0	0	111.3	K56 L63 H124 R125 V126 R131 K132 V133 Y135	K56-L128 HydrophobicContact CB-CD1 3.86Å; K56-L128 HydrophobicContact CB-CD2 3.36Å; K56-L128 HydrophobicContact CB-CG 3.35Å; K56-L128 HydrophobicContact CD-CD2 4.24Å; K56-L128 HydrophobicContact CD-CG 3.88Å; K56-L128 HydrophobicContact CG-CD2 4.24Å; K56-L128 HydrophobicContact CG-CG 4.2Å; K56-L128 VanDerWaalsContact O-CD1 3.28Å; K56-L128 WeakPolarHBondContact O-CD1 3.38Å; K56-L128 WeakPolarHBondContact O-CD2 3.44Å; L63-L128 HydrophobicContact CD1-CD1 4.01Å; L63-L128 HydrophobicContact CD2-CD1 3.33Å; L63-L128 HydrophobicContact CD2-CG 4.29Å; L63-L128 HydrophobicContact CG-CD1 4.34Å; H124-L128 PolarHBondContact O-N 3.28Å; R125-L128 VanDerWaalsContact O-CB 3.31Å; R125-L128 WeakPolarHBondContact O-CB 3.32Å; R125-L128 PolarHBondContact O-N 2.99Å; V126-L128 PolarHBondContact O-N 2.73Å; V126-L128 VanDerWaalsContact O-N 3.11Å; L128-R131 CarbonylContact O-C 3.48Å; L128-R131 PolarHBondContact O-N 2.83Å; L128-K132 PolarHBondContact O-N 3.49Å; L128-K132 VanDerWaalsContact O-N 3.15Å; L128-V133 HydrophobicContact CD2-CB 3.41Å; L128-V133 VanDerWaalsContact CD2-CB 3.41Å; L128-V133 HydrophobicContact CD2-CG1 3.2Å; L128-V133 HydrophobicContact CD2-CG2 4.43Å; L128-V133 PolarHBondContact O-N 3.43Å; L128-Y135 HydrophobicContact CD1-CD2 4.43Å; L128-Y135 HydrophobicContact CD1-CG 3.97Å
129	Q	87.9	Confident	89.6	Confident	142 Å²	142	72.8 Å²	72.8	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-45.8	-178.3	-69.6	171.3	-9	0	0	110.5	R125 V126 R131 K132	R125-Q129 WeakPolarHBondContact O-CG 3.19Å; R125-Q129 PolarHBondContact O-N 2.86Å; V126-Q129 WeakPolarHBondContact O-CB 3.13Å; V126-Q129 PolarHBondContact O-N 2.95Å; Q129-R131 PolarHBondContact O-N 3Å; Q129-K132 PolarHBondContact O-N 3.31Å
130	D	89.8	Confident	89.4	Confident	118 Å²	118	70 Å²	70	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-57.9	-36.6	178.1	-66.3	-17	0	0	0	112.5	V126 K132	V126-D130 VanDerWaalsContact O-CG 3.31Å; V126-D130 PolarHBondContact O-N 2.89Å; D130-K132 VanDerWaalsContact C-N 3.3Å
131	R	86.8	Confident	89.5	Confident	155 Å²	155	68.9 Å²	68.9	59%	0.585	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	5.6	179.6	-63.7	-178.2	-172.1	167.2	2.7	113.1	K56 Q127 L128 Q129 V133	K56-R131 VanDerWaalsContact NZ-CZ 3.27Å; Q127-R131 WeakPolarHBondContact O-CG 3.49Å; L128-R131 CarbonylContact O-C 3.48Å; L128-R131 PolarHBondContact O-N 2.83Å; Q129-R131 PolarHBondContact O-N 3Å; R131-V133 HydrophobicContact CB-CG2 3.83Å; R131-V133 PolarHBondContact O-N 3.32Å; R131-V133 VanDerWaalsContact O-N 3.14Å
132	K	89.9	Confident	89.8	Confident	170 Å²	170	68.7 Å²	68.7	74%	0.739	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	29.8	-178.3	-56.2	176.3	-178.6	174.5	0	113.1	L128 Q129 D130	L128-K132 PolarHBondContact O-N 3.49Å; L128-K132 VanDerWaalsContact O-N 3.15Å; Q129-K132 PolarHBondContact O-N 3.31Å; D130-K132 VanDerWaalsContact C-N 3.3Å
133	V	86.8	Confident	90.1	Very high	16 Å²	16	63.7 Å²	63.7	10%	0.097	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-82.8	121.6	177.1	176.8	0	0	0	0	107.6	V6 L8 L128 R131 Y135	V6-V133 HydrophobicContact CB-CG1 4.38Å; V6-V133 HydrophobicContact CG1-CG1 3.04Å; V6-V133 HydrophobicContact CG2-CG1 4.42Å; L8-V133 HydrophobicContact CD2-CG2 3.57Å; L8-V133 HydrophobicContact CG-CG2 4.14Å; L128-V133 HydrophobicContact CD2-CB 3.41Å; L128-V133 VanDerWaalsContact CD2-CB 3.41Å; L128-V133 HydrophobicContact CD2-CG1 3.2Å; L128-V133 HydrophobicContact CD2-CG2 4.43Å; L128-V133 PolarHBondContact O-N 3.43Å; R131-V133 HydrophobicContact CB-CG2 3.83Å; R131-V133 PolarHBondContact O-N 3.32Å; R131-V133 VanDerWaalsContact O-N 3.14Å; V133-Y135 PolarHBondContact O-N 3.1Å
134	K	89.6	Confident	90.3	Very high	106 Å²	106	65.7 Å²	65.7	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.6	-179.3	-168.1	176.3	177	-169.7	0	109.5	V6 A7 Y40 F136	V6-K134 WeakPolarHBondContact CA-O 3.18Å; A7-K134 PolarHBondContact N-O 2.81Å; A7-K134 PolarHBondContact O-N 2.93Å; A7-K134 VanDerWaalsContact O-N 3.08Å; Y40-K134 WeakPolarHBondContact OH-CD 3.49Å; Y40-K134 PolarHBondContact OH-NZ 2.79Å; Y40-K134 VanDerWaalsContact OH-NZ 3.1Å; K134-F136 HydrophobicContact CB-CE2 4.23Å; K134-F136 HydrophobicContact CD-CE1 4.25Å; K134-F136 HydrophobicContact CD-CE2 3.67Å; K134-F136 HydrophobicContact CD-CZ 3.45Å; K134-F136 VanDerWaalsContact CD-CZ 3.45Å; K134-F136 HydrophobicContact CG-CD2 4.31Å; K134-F136 HydrophobicContact CG-CE2 3.71Å; K134-F136 HydrophobicContact CG-CZ 3.94Å; K134-F136 VanDerWaalsContact NZ-CZ 3.34Å
135	Y	88.1	Confident	90.7	Very high	60 Å²	60	68.1 Å²	68.1	24%	0.235	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.2	177.6	167.9	-116.3	0	0	0	111.5	M4 V6 E57 L63 L128 V133 N137	M4-Y135 HydrophobicContact SD-CE2 4.37Å; V6-Y135 HydrophobicContact CG2-CD2 4.37Å; E57-Y135 HydrophobicContact CB-CE2 4.42Å; E57-Y135 HydrophobicContact CG-CD2 4.49Å; L63-Y135 HydrophobicContact CD1-CD1 4.36Å; L63-Y135 HydrophobicContact CD1-CD2 3.78Å; L63-Y135 HydrophobicContact CD1-CE1 4.05Å; L63-Y135 HydrophobicContact CD1-CE2 3.43Å; L63-Y135 VanDerWaalsContact CD1-CE2 3.43Å; L63-Y135 HydrophobicContact CD1-CG 4.23Å; L128-Y135 HydrophobicContact CD1-CD2 4.43Å; L128-Y135 HydrophobicContact CD1-CG 3.97Å; V133-Y135 PolarHBondContact O-N 3.1Å; Y135-N137 HydrophobicContact CE1-CB 3.93Å; Y135-N137 PolarHBondContact OH-OD1 3.21Å
136	F	88.3	Confident	91.1	Very high	20 Å²	20	64.5 Å²	64.5	9%	0.088	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.9	173.4	-60.5	-97.7	0	0	0	110.6	M4 A5 Y40 K134 I138 I158 L160	M4-F136 WeakPolarHBondContact CB-O 3.18Å; A5-F136 WeakPolarHBondContact O-CD2 3Å; A5-F136 PolarHBondContact O-N 2.89Å; Y40-F136 HydrophobicContact CE2-CE2 4.41Å; Y40-F136 HydrophobicContact CE2-CZ 4.33Å; Y40-F136 WeakPolarHBondContact OH-CZ 3.3Å; K134-F136 HydrophobicContact CB-CE2 4.23Å; K134-F136 HydrophobicContact CD-CE1 4.25Å; K134-F136 HydrophobicContact CD-CE2 3.67Å; K134-F136 HydrophobicContact CD-CZ 3.45Å; K134-F136 VanDerWaalsContact CD-CZ 3.45Å; K134-F136 HydrophobicContact CG-CD2 4.31Å; K134-F136 HydrophobicContact CG-CE2 3.71Å; K134-F136 HydrophobicContact CG-CZ 3.94Å; K134-F136 VanDerWaalsContact NZ-CZ 3.34Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 HydrophobicContact CB-CD1 3.65Å; F136-I138 HydrophobicContact CB-CG1 3.8Å; F136-I138 HydrophobicContact CB-CG2 4.26Å; F136-I138 HydrophobicContact CD1-CD1 4.45Å; F136-I138 HydrophobicContact CG-CD1 4.23Å; F136-I138 PolarHBondContact O-N 2.95Å; F136-I138 VanDerWaalsContact O-N 3.1Å; F136-I158 HydrophobicContact CD1-CD1 4.3Å; F136-I158 HydrophobicContact CE1-CG2 4.49Å; F136-L160 HydrophobicContact CD2-CD1 4.15Å; F136-L160 HydrophobicContact CE1-CD2 3.88Å; F136-L160 HydrophobicContact CE2-CD1 4.2Å; F136-L160 HydrophobicContact CE2-CD2 4.06Å; F136-L160 HydrophobicContact CG-CD1 4.29Å; F136-L160 HydrophobicContact CZ-CD1 4.38Å; F136-L160 HydrophobicContact CZ-CD2 3.56Å
137	N	88.3	Confident	91.4	Very high	92 Å²	92	63.9 Å²	63.9	49%	0.492	30%	0.303	S	S	.	.			trans	-85.4	70.9	173.9	-168.7	28.8	0	0	0	110.5	M4 Y135	M4-N137 VanDerWaalsContact CE-C 3.49Å; M4-N137 WeakPolarHBondContact CE-OD1 3.18Å; M4-N137 HydrophobicContact SD-CB 4.45Å; M4-N137 PolarHBondContact SD-OD1 3.23Å; Y135-N137 HydrophobicContact CE1-CB 3.93Å; Y135-N137 PolarHBondContact OH-OD1 3.21Å
138	I	87.9	Confident	91.9	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.8	-172.2	63.9	-175.9	0	0	0	111.2	M4 A5 F136 V151 A152 I158 L160	M4-I138 WeakPolarHBondContact CA-O 3.35Å; M4-I138 WeakPolarHBondContact CB-O 3.44Å; M4-I138 VanDerWaalsContact CE-N 3.3Å; M4-I138 WeakPolarHBondContact CE-O 3.29Å; M4-I138 WeakPolarHBondContact CG-O 3.16Å; A5-I138 HydrophobicContact CB-CD1 4.32Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 HydrophobicContact CB-CD1 3.65Å; F136-I138 HydrophobicContact CB-CG1 3.8Å; F136-I138 HydrophobicContact CB-CG2 4.26Å; F136-I138 HydrophobicContact CD1-CD1 4.45Å; F136-I138 HydrophobicContact CG-CD1 4.23Å; F136-I138 PolarHBondContact O-N 2.95Å; F136-I138 VanDerWaalsContact O-N 3.1Å; I138-V151 CarbonylContact C-O 3.55Å; I138-V151 WeakPolarHBondContact CA-O 3.3Å; I138-A152 HydrophobicContact CG2-CB 4.02Å; I138-I158 HydrophobicContact CG2-CD1 4.15Å; I138-L160 HydrophobicContact CD1-CD1 3.66Å
139	K	87.6	Confident	92.3	Very high	64 Å²	64	60.6 Å²	60.6	28%	0.278	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	105.2	171.2	-173.3	-170.3	171.7	-161.3	0	110.6	M1 A3 G150 V151 S305	M1-K139 HydrophobicContact CB-CD 4.03Å; M1-K139 PolarHBondContact SD-NZ 3.48Å; A3-K139 CarbonylContact O-C 3.51Å; A3-K139 WeakPolarHBondContact O-CA 3.3Å; K139-G150 CarbonylContact O-C 3.57Å; K139-G150 VanDerWaalsContact O-CA 3.3Å; K139-G150 WeakPolarHBondContact O-CA 3.42Å; K139-V151 PolarHBondContact N-O 3.07Å; K139-V151 PolarHBondContact O-N 3.08Å; K139-S305 WeakPolarHBondContact CE-OG 3.35Å
140	A	93.3	Very high	92.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.5	179.4	0	0	0	0	0	113.4	A3 V45 V148 C149	A3-A140 HydrophobicContact CB-CB 3.91Å; A3-A140 WeakPolarHBondContact O-CB 3.32Å; A3-A140 PolarHBondContact O-N 3.21Å; V45-A140 HydrophobicContact CG1-CB 3.95Å; A140-V148 HydrophobicContact CB-CG1 3.42Å; A140-V148 VanDerWaalsContact CB-CG1 3.42Å; A140-C149 CarbonylContact C-O 3.56Å; A140-C149 VanDerWaalsContact CA-O 3.32Å; A140-C149 WeakPolarHBondContact CA-O 3.48Å
141	S	95.9	Very high	92.4	Very high	27 Å²	27	50.7 Å²	50.7	19%	0.189	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	145.1	165.7	58.5	0	0	0	0	108.8	V148 C149 S305 L306	S141-V148 CarbonylContact O-C 3.58Å; S141-V148 WeakPolarHBondContact O-CA 3.3Å; S141-C149 PolarHBondContact N-O 3.31Å; S141-C149 PolarHBondContact O-N 3.02Å; S141-S305 WeakPolarHBondContact CB-O 3.04Å; S141-L306 CarbonylContact C-O 3.54Å; S141-L306 WeakPolarHBondContact CA-O 3.38Å
142	F	98.2	Very high	92.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138.7	178.5	-72	-85	0	0	0	110.9	D144 V148 I165 I167 L306 N307 L308 A311 I335	F142-D144 WeakPolarHBondContact CD1-O 3.18Å; F142-V148 HydrophobicContact CD1-CG2 3.89Å; F142-V148 HydrophobicContact CE1-CG2 3.95Å; F142-V148 HydrophobicContact CG-CG2 4.44Å; F142-V148 HydrophobicContact CZ-CG2 4.5Å; F142-I165 HydrophobicContact CE1-CD1 3.76Å; F142-I165 HydrophobicContact CE1-CG2 4.02Å; F142-I165 HydrophobicContact CZ-CG2 3.87Å; F142-I167 HydrophobicContact CE2-CD1 3.82Å; F142-I167 HydrophobicContact CE2-CG1 4.15Å; F142-I167 HydrophobicContact CZ-CD1 3.87Å; F142-I167 HydrophobicContact CZ-CG1 4Å; F142-L306 HydrophobicContact CD2-CB 4.36Å; F142-L306 WeakPolarHBondContact CD2-O 3.4Å; F142-L306 PolarHBondContact N-O 2.83Å; F142-N307 PolarHBondContact O-ND2 3.18Å; F142-L308 HydrophobicContact CD2-CD2 3.92Å; F142-L308 HydrophobicContact CE2-CD2 3.72Å; F142-A311 HydrophobicContact CB-CB 3.98Å; F142-A311 HydrophobicContact CD1-CB 3.65Å; F142-A311 HydrophobicContact CD2-CB 4.25Å; F142-A311 HydrophobicContact CE1-CB 4.12Å; F142-A311 HydrophobicContact CG-CB 3.71Å; F142-I335 HydrophobicContact CE1-CD1 4.16Å
143	V	97.9	Very high	91.9	Very high	67 Å²	67	46.7 Å²	46.7	41%	0.406	24%	0.235	S	C	.	.	S	Bend	trans	-100.1	-40.7	168.3	179.3	0	0	0	0	109.2	T147 C149 L159	V143-T147 HydrophobicContact CB-CG2 4.37Å; V143-T147 PolarHBondContact N-O 3.2Å; V143-C149 HydrophobicContact CG2-CB 3.53Å; V143-L159 HydrophobicContact CG2-CD2 4.12Å
144	D	97.8	Very high	91.7	Very high	62 Å²	62	49.7 Å²	49.7	33%	0.332	27%	0.269	S	S	.	.	S	Bend	trans	-152.1	-174	173.4	58.5	57.1	0	0	0	109.1	F142 H146 T147 K310	F142-D144 WeakPolarHBondContact CD1-O 3.18Å; D144-H146 PolarHBondContact O-N 2.87Å; D144-H146 WeakPolarHBondContact OD1-CA 3.01Å; D144-H146 PolarHBondContact OD1-N 3.39Å; D144-T147 PolarHBondContact N-O 3.48Å; D144-T147 VanDerWaalsContact OD1-CB 3.28Å; D144-T147 WeakPolarHBondContact OD1-CB 3.35Å; D144-T147 PolarHBondContact OD1-N 2.88Å; D144-T147 PolarHBondContact OD1-OG1 2.94Å; D144-T147 VanDerWaalsContact OD1-OG1 3.04Å; D144-T147 WeakPolarHBondContact OD2-CB 3.44Å; D144-T147 PolarHBondContact OD2-OG1 3.35Å; D144-T147 VanDerWaalsContact OD2-OG1 3.1Å; D144-K310 WeakPolarHBondContact CA-O 3.39Å
145	E	97.1	Very high	91.5	Very high	88 Å²	88	46.9 Å²	46.9	41%	0.411	27%	0.27	S	S	.	.	S	Bend	trans	-65.9	-11.8	-177.7	66.4	176.7	-171.4	0	0	115.6	V332 H334 I335	E145-V332 HydrophobicContact CB-CG1 4.4Å; E145-H334 PolarHBondContact O-NE2 3.2Å; E145-H334 IonicContact OE2-CE1 3.57Å; E145-I335 HydrophobicContact CB-CD1 4.46Å
146	H	97.4	Very high	91.7	Very high	35 Å²	35	51.1 Å²	51.1	16%	0.162	29%	0.29	C	S	.	.	S	Bend	trans	-124.2	-11.7	-177.7	-70.5	-41.8	0	0	0	113.9	R38 D144 S161 A162 H334	R38-H146 VanDerWaalsContact CZ-ND1 3.29Å; R38-H146 PolarHBondContact NH1-CE1 2.86Å; R38-H146 PolarHBondContact NH1-ND1 3.38Å; R38-H146 PolarHBondContact NH2-CD2 3.39Å; R38-H146 PolarHBondContact NH2-CE1 2.92Å; R38-H146 PolarHBondContact NH2-NE2 3.35Å; D144-H146 PolarHBondContact O-N 2.87Å; D144-H146 WeakPolarHBondContact OD1-CA 3.01Å; D144-H146 PolarHBondContact OD1-N 3.39Å; H146-S161 VanDerWaalsContact O-CA 3.23Å; H146-S161 WeakPolarHBondContact O-CA 3.43Å; H146-A162 PolarHBondContact O-N 3.38Å; H146-A162 VanDerWaalsContact O-N 3.14Å; H146-H334 AromaticContact CE1-CD2 3.22Å; H146-H334 PolarHBondContact CE1-CD2 2.89Å; H146-H334 AromaticContact CE1-CE1 3.09Å; H146-H334 PolarHBondContact CE1-CE1 2.92Å; H146-H334 AromaticContact CE1-CG 3.53Å; H146-H334 AromaticContact CE1-ND1 3.48Å; H146-H334 PolarHBondContact CE1-ND1 3.21Å; H146-H334 AromaticContact CE1-NE2 2.93Å; H146-H334 PolarHBondContact CE1-NE2 3.47Å; H146-H334 AromaticContact ND1-CD2 3.33Å; H146-H334 PolarHBondContact ND1-CD2 2.67Å; H146-H334 VanDerWaalsContact ND1-CD2 3.33Å; H146-H334 AromaticContact ND1-CE1 3.76Å; H146-H334 AromaticContact ND1-NE2 3.1Å; H146-H334 PolarHBondContact ND1-NE2 3.1Å; H146-H334 VanDerWaalsContact ND1-NE2 3.1Å; H146-H334 AromaticContact NE2-CE1 3.78Å; H146-H334 AromaticContact NE2-NE2 3.9Å
147	T	97.4	Very high	91.9	Very high	27 Å²	27	56.6 Å²	56.6	17%	0.166	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.6	-171.7	-49.1	0	0	0	0	111.5	V143 D144 L159 L160	V143-T147 HydrophobicContact CB-CG2 4.37Å; V143-T147 PolarHBondContact N-O 3.2Å; D144-T147 PolarHBondContact N-O 3.48Å; D144-T147 VanDerWaalsContact OD1-CB 3.28Å; D144-T147 WeakPolarHBondContact OD1-CB 3.35Å; D144-T147 PolarHBondContact OD1-N 2.88Å; D144-T147 PolarHBondContact OD1-OG1 2.94Å; D144-T147 VanDerWaalsContact OD1-OG1 3.04Å; D144-T147 WeakPolarHBondContact OD2-CB 3.44Å; D144-T147 PolarHBondContact OD2-OG1 3.35Å; D144-T147 VanDerWaalsContact OD2-OG1 3.1Å; T147-L159 HydrophobicContact CG2-CB 4.44Å; T147-L159 HydrophobicContact CG2-CD2 4.29Å; T147-L160 WeakPolarHBondContact CA-O 3.42Å
148	V	96.5	Very high	92.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.2	173.8	171.4	0	0	0	0	109.4	L43 V45 A140 S141 F142 L160	L43-V148 HydrophobicContact CD2-CB 3.79Å; L43-V148 HydrophobicContact CD2-CG2 3.66Å; V45-V148 HydrophobicContact CG2-CG2 4.35Å; A140-V148 HydrophobicContact CB-CG1 3.42Å; A140-V148 VanDerWaalsContact CB-CG1 3.42Å; S141-V148 CarbonylContact O-C 3.58Å; S141-V148 WeakPolarHBondContact O-CA 3.3Å; F142-V148 HydrophobicContact CD1-CG2 3.89Å; F142-V148 HydrophobicContact CE1-CG2 3.95Å; F142-V148 HydrophobicContact CG-CG2 4.44Å; F142-V148 HydrophobicContact CZ-CG2 4.5Å; V148-L160 PolarHBondContact N-O 3.48Å; V148-L160 PolarHBondContact O-N 3.44Å
149	C	95.8	Very high	92.6	Very high	15 Å²	15	59.7 Å²	59.7	10%	0.101	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.1	166.1	-178.9	0	0	0	0	109.5	A140 S141 V143 L159	A140-C149 CarbonylContact C-O 3.56Å; A140-C149 VanDerWaalsContact CA-O 3.32Å; A140-C149 WeakPolarHBondContact CA-O 3.48Å; S141-C149 PolarHBondContact N-O 3.31Å; S141-C149 PolarHBondContact O-N 3.02Å; V143-C149 HydrophobicContact CG2-CB 3.53Å; C149-L159 HydrophobicContact CB-CD2 3.8Å
150	G	92.4	Very high	92.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.5	175	0	0	0	0	0	112.9	K139 E157 I158	K139-G150 CarbonylContact O-C 3.57Å; K139-G150 VanDerWaalsContact O-CA 3.3Å; K139-G150 WeakPolarHBondContact O-CA 3.42Å; G150-E157 CarbonylContact O-C 3.52Å; G150-E157 WeakPolarHBondContact O-CA 3.47Å; G150-I158 PolarHBondContact N-O 3.31Å; G150-I158 PolarHBondContact O-N 2.94Å
151	V	87.6	Confident	93	Very high	52 Å²	52	57.9 Å²	57.9	32%	0.315	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.4	179.5	-171.8	0	0	0	0	110.5	I138 K139 E157	I138-V151 CarbonylContact C-O 3.55Å; I138-V151 WeakPolarHBondContact CA-O 3.3Å; K139-V151 PolarHBondContact N-O 3.07Å; K139-V151 PolarHBondContact O-N 3.08Å; V151-E157 HydrophobicContact CG2-CG 4.31Å
152	A	87.2	Confident	93	Very high	27 Å²	27	56.6 Å²	56.6	22%	0.223	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	164.3	175.5	0	0	0	0	0	112	I138 G154 G155 K156	I138-A152 HydrophobicContact CG2-CB 4.02Å; A152-G154 PolarHBondContact O-N 3.27Å; A152-G155 PolarHBondContact O-N 3Å; A152-K156 HydrophobicContact CB-CB 4.44Å; A152-K156 PolarHBondContact N-O 3.37Å
153	K	79.5	Confident	92.8	Very high	214 Å²	214	59.5 Å²	59.5	93%	0.93	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.6	178.4	-169.9	179.5	178.7	-175.1	0	113.8	G155	K153-G155 VanDerWaalsContact C-N 3.3Å
154	G	82.3	Confident	92.7	Very high	78 Å²	78	58.7 Å²	58.7	80%	0.804	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	11.7	176.1	0	0	0	0	0	115	A152 K156	A152-G154 PolarHBondContact O-N 3.27Å; G154-K156 PolarHBondContact O-N 3.31Å
155	G	85.3	Confident	92.7	Very high	48 Å²	48	55.7 Å²	55.7	50%	0.495	31%	0.309	S	S	.	.	S	Bend	trans	78.6	-5.1	-179	0	0	0	0	0	115.1	A152 K153 E157	A152-G155 PolarHBondContact O-N 3Å; K153-G155 VanDerWaalsContact C-N 3.3Å; G155-E157 PolarHBondContact O-N 2.87Å
156	K	91.3	Very high	92.8	Very high	149 Å²	149	51.5 Å²	51.5	65%	0.648	29%	0.289	S	S	*	.			trans	-64.7	122.3	176	-177.2	179	179.6	179	0	110.5	A152 G154	A152-K156 HydrophobicContact CB-CB 4.44Å; A152-K156 PolarHBondContact N-O 3.37Å; G154-K156 PolarHBondContact O-N 3.31Å
157	E	93.8	Very high	92.8	Very high	135 Å²	135	49.9 Å²	49.9	63%	0.631	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.4	173.9	-58.1	-170.2	160.8	0	0	111.5	G150 V151 G155	G150-E157 CarbonylContact O-C 3.52Å; G150-E157 WeakPolarHBondContact O-CA 3.47Å; V151-E157 HydrophobicContact CG2-CG 4.31Å; G155-E157 PolarHBondContact O-N 2.87Å
158	I	93.6	Very high	92.8	Very high	48 Å²	48	49 Å²	49	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	124.3	176.8	-52.3	180	0	0	0	107.3	F136 I138 G150 L160	F136-I158 HydrophobicContact CD1-CD1 4.3Å; F136-I158 HydrophobicContact CE1-CG2 4.49Å; I138-I158 HydrophobicContact CG2-CD1 4.15Å; G150-I158 PolarHBondContact N-O 3.31Å; G150-I158 PolarHBondContact O-N 2.94Å; I158-L160 HydrophobicContact CG2-CD2 3.75Å; I158-L160 HydrophobicContact CG2-CG 4.16Å
159	L	95.9	Very high	92.7	Very high	113 Å²	113	49.8 Å²	49.8	59%	0.592	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	136.3	169.9	-64.3	176.2	0	0	0	109.4	V143 T147 C149	V143-L159 HydrophobicContact CG2-CD2 4.12Å; T147-L159 HydrophobicContact CG2-CB 4.44Å; T147-L159 HydrophobicContact CG2-CD2 4.29Å; C149-L159 HydrophobicContact CB-CD2 3.8Å
160	L	95.5	Very high	92.6	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.5	179.4	-56.6	173.4	0	0	0	108.5	A5 Y40 L43 F136 I138 T147 V148 I158	A5-L160 HydrophobicContact CB-CD1 3.39Å; Y40-L160 HydrophobicContact CE2-CD2 3.82Å; L43-L160 HydrophobicContact CD1-CB 4.46Å; L43-L160 HydrophobicContact CD1-CD1 4.26Å; L43-L160 HydrophobicContact CD2-CB 4.28Å; F136-L160 HydrophobicContact CD2-CD1 4.15Å; F136-L160 HydrophobicContact CE1-CD2 3.88Å; F136-L160 HydrophobicContact CE2-CD1 4.2Å; F136-L160 HydrophobicContact CE2-CD2 4.06Å; F136-L160 HydrophobicContact CG-CD1 4.29Å; F136-L160 HydrophobicContact CZ-CD1 4.38Å; F136-L160 HydrophobicContact CZ-CD2 3.56Å; I138-L160 HydrophobicContact CD1-CD1 3.66Å; T147-L160 WeakPolarHBondContact CA-O 3.42Å; V148-L160 PolarHBondContact N-O 3.48Å; V148-L160 PolarHBondContact O-N 3.44Å; I158-L160 HydrophobicContact CG2-CD2 3.75Å; I158-L160 HydrophobicContact CG2-CG 4.16Å
161	S	95.8	Very high	92.6	Very high	22 Å²	22	49.8 Å²	49.8	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.1	174.2	62.5	0	0	0	0	112	D39 Y40 H146	D39-S161 WeakPolarHBondContact CB-O 3.41Å; D39-S161 VanDerWaalsContact CG-OG 3.23Å; D39-S161 PolarHBondContact N-O 2.92Å; D39-S161 PolarHBondContact N-OG 3.25Å; D39-S161 PolarHBondContact OD2-N 3.07Å; D39-S161 PolarHBondContact OD2-OG 3.09Å; Y40-S161 PolarHBondContact N-O 3.43Å; H146-S161 VanDerWaalsContact O-CA 3.23Å; H146-S161 WeakPolarHBondContact O-CA 3.43Å
162	A	95.4	Very high	92.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.1	178	0	0	0	0	0	116.1	R38 Y40 L43 H146	R38-A162 WeakPolarHBondContact CD-O 3.48Å; R38-A162 PolarHBondContact NH1-O 3.12Å; Y40-A162 CarbonylContact O-C 3.55Å; Y40-A162 WeakPolarHBondContact O-CA 3.2Å; Y40-A162 WeakPolarHBondContact O-CB 3.42Å; L43-A162 HydrophobicContact CB-CB 3.46Å; L43-A162 VanDerWaalsContact CB-CB 3.46Å; H146-A162 PolarHBondContact O-N 3.38Å; H146-A162 VanDerWaalsContact O-N 3.14Å
163	D	94.1	Very high	93.2	Very high	63 Å²	63	51 Å²	51	34%	0.337	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-47.7	179.6	-70.8	-27.1	0	0	0	111.9	R38 Y40 D41	R38-D163 WeakPolarHBondContact CD-OD1 3.34Å; R38-D163 WeakPolarHBondContact CG-OD1 3.46Å; R38-D163 IonicContact CZ-OD1 3.72Å; R38-D163 IonicContact NE-OD1 2.77Å; R38-D163 PolarHBondContact NE-OD1 3.21Å; R38-D163 PolarHBondContact NH1-O 3.44Å; R38-D163 IonicContact NH1-OD1 3.95Å; Y40-D163 PolarHBondContact O-N 2.8Å; D41-D163 WeakPolarHBondContact O-CB 3.25Å
164	H	95.4	Very high	93.9	Very high	50 Å²	50	46.8 Å²	46.8	23%	0.231	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147	173.8	-60.8	-78.2	0	0	0	111.4	D41 L42 L43 H334 Y336 F364	D41-H164 PolarHBondContact O-N 3.05Å; L42-H164 CarbonylContact C-O 3.43Å; L42-H164 WeakPolarHBondContact CA-O 3.48Å; L42-H164 HydrophobicContact CD1-CB 3.8Å; L43-H164 PolarHBondContact N-O 3.03Å; H164-H334 WeakPolarHBondContact CA-O 3.39Å; H164-Y336 HydrophobicContact CB-CE2 4.32Å; H164-Y336 AromaticContact ND1-CE2 3.84Å; H164-F364 AromaticContact CD2-CZ 3.82Å
165	I	98	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.4	175.7	-54.7	179.6	0	0	0	110.6	L43 V45 F142 H334 I335 Y336	L43-I165 HydrophobicContact CB-CG1 4.29Å; L43-I165 CarbonylContact O-C 3.52Å; L43-I165 WeakPolarHBondContact O-CA 3.31Å; V45-I165 HydrophobicContact CG2-CG2 4.18Å; F142-I165 HydrophobicContact CE1-CD1 3.76Å; F142-I165 HydrophobicContact CE1-CG2 4.02Å; F142-I165 HydrophobicContact CZ-CG2 3.87Å; I165-H334 PolarHBondContact N-O 3.24Å; I165-I335 HydrophobicContact CB-CG1 4.31Å; I165-I335 HydrophobicContact CB-CG2 4.38Å; I165-I335 CarbonylContact O-C 3.54Å; I165-I335 WeakPolarHBondContact O-CA 3.31Å; I165-Y336 WeakPolarHBondContact O-CD2 3.36Å; I165-Y336 PolarHBondContact O-N 2.93Å
166	I	98	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.9	173.9	-58.6	170.3	0	0	0	109.6	L42 L43 V44 V45 C54 Y336 I338 L359 V360 L363	L42-I166 HydrophobicContact CD1-CD1 3.77Å; L42-I166 HydrophobicContact CD1-CG1 3.88Å; L42-I166 HydrophobicContact CD2-CD1 4.22Å; L43-I166 PolarHBondContact O-N 2.83Å; V44-I166 CarbonylContact C-O 3.58Å; V44-I166 WeakPolarHBondContact CA-O 3.21Å; V44-I166 HydrophobicContact CB-CB 4.46Å; V44-I166 HydrophobicContact CG1-CB 4.29Å; V44-I166 HydrophobicContact CG1-CG2 4.48Å; V44-I166 HydrophobicContact CG2-CB 3.91Å; V44-I166 HydrophobicContact CG2-CD1 4.05Å; V44-I166 HydrophobicContact CG2-CG1 4.32Å; V45-I166 PolarHBondContact N-O 3.35Å; C54-I166 HydrophobicContact CB-CD1 3.91Å; I166-Y336 CarbonylContact C-O 3.55Å; I166-Y336 WeakPolarHBondContact CA-O 3.18Å; I166-Y336 HydrophobicContact CG1-CD2 4.26Å; I166-I338 HydrophobicContact CG2-CD1 3.87Å; I166-I338 HydrophobicContact CG2-CG1 3.83Å; I166-L359 HydrophobicContact CD1-CD2 3.75Å; I166-L359 HydrophobicContact CD1-CG 4.27Å; I166-L359 HydrophobicContact CG1-CD2 3.94Å; I166-L359 HydrophobicContact CG2-CD2 4.21Å; I166-V360 HydrophobicContact CD1-CG2 4.46Å; I166-L363 HydrophobicContact CD1-CD1 4.43Å
167	I	98.1	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.9	175.7	-53.5	166.7	0	0	0	109.2	F142 T169 L306 L308 V313 I322 I335 Y336 A337 I338 V341	F142-I167 HydrophobicContact CE2-CD1 3.82Å; F142-I167 HydrophobicContact CE2-CG1 4.15Å; F142-I167 HydrophobicContact CZ-CD1 3.87Å; F142-I167 HydrophobicContact CZ-CG1 4Å; I167-T169 HydrophobicContact CG2-CG2 4.16Å; I167-L306 HydrophobicContact CG2-CD1 3.81Å; I167-L308 HydrophobicContact CD1-CD2 3.76Å; I167-V313 HydrophobicContact CD1-CG1 4.47Å; I167-I322 HydrophobicContact CB-CD1 4.01Å; I167-I322 HydrophobicContact CD1-CD1 3.74Å; I167-I322 HydrophobicContact CG1-CD1 4.49Å; I167-I322 HydrophobicContact CG2-CD1 3.64Å; I167-I335 HydrophobicContact CD1-CG2 3.73Å; I167-I335 HydrophobicContact CG1-CG2 4.13Å; I167-Y336 PolarHBondContact N-O 2.94Å; I167-A337 HydrophobicContact CB-CB 4.19Å; I167-A337 CarbonylContact O-C 3.53Å; I167-A337 VanDerWaalsContact O-CA 3.24Å; I167-A337 WeakPolarHBondContact O-CA 3.45Å; I167-I338 PolarHBondContact O-N 3.06Å; I167-V341 HydrophobicContact CG2-CG1 4.48Å
168	A	96.6	Very high	94.9	Very high	8 Å²	8	44.9 Å²	44.9	7%	0.066	23%	0.225	C	C	.	.			trans	-134.5	35.1	-177	0	0	0	0	0	111.8	V44 V45 G46 G170 I338	V44-A168 HydrophobicContact CG1-CB 4.36Å; V45-A168 CarbonylContact O-C 3.56Å; V45-A168 PolarHBondContact O-N 3.2Å; G46-A168 WeakPolarHBondContact CA-O 3.21Å; A168-G170 PolarHBondContact O-N 2.9Å; A168-I338 HydrophobicContact CB-CD1 4.29Å; A168-I338 HydrophobicContact CB-CG1 3.8Å
169	T	95.2	Very high	95	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.117	22%	0.217	C	C	.	.			trans	-71.3	-13.4	-171.8	54.2	0	0	0	0	114.4	A3 V45 I167 D302 L306	A3-T169 HydrophobicContact CB-CG2 3.75Å; V45-T169 HydrophobicContact CG1-CG2 3.98Å; V45-T169 VanDerWaalsContact O-CG2 3.23Å; V45-T169 WeakPolarHBondContact O-CG2 3.23Å; V45-T169 PolarHBondContact O-N 3.27Å; I167-T169 HydrophobicContact CG2-CG2 4.16Å; T169-D302 WeakPolarHBondContact CB-O 3.22Å; T169-D302 PolarHBondContact OG1-O 3.32Å; T169-L306 HydrophobicContact CG2-CD1 3.97Å; T169-L306 HydrophobicContact CG2-CD2 4.12Å
170	G	94.6	Very high	95.1	Very high	10 Å²	10	43.3 Å²	43.3	10%	0.103	21%	0.214	C	C	.	.			trans	64.4	-142.3	179.5	0	0	0	0	0	112.3	A168 P301 D302	A168-G170 PolarHBondContact O-N 2.9Å; G170-P301 WeakPolarHBondContact O-CA 3.43Å; G170-D302 PolarHBondContact O-N 3.11Å
171	G	92.5	Very high	95.2	Very high	4 Å²	4	43.9 Å²	43.9	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	175.8	178.2	0	0	0	0	0	114.1	R299 V300	G171-R299 VanDerWaalsContact C-NH2 3.26Å; G171-R299 PolarHBondContact O-NH2 2.54Å; G171-V300 CarbonylContact C-O 3.57Å; G171-V300 WeakPolarHBondContact CA-O 3.41Å
172	R	92.4	Very high	95.3	Very high	86 Å²	86	42.9 Å²	42.9	33%	0.325	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.3	178.4	-65	-61.3	-61.5	-81.7	-9.3	111.6	D190 R299 V300	R172-D190 IonicContact CZ-OD2 2.83Å; R172-D190 IonicContact NE-OD2 3.45Å; R172-D190 PolarHBondContact NE-OD2 3.17Å; R172-D190 IonicContact NH2-OD2 3.24Å; R172-D190 PolarHBondContact NH2-OD2 2.83Å; R172-R299 CarbonylContact O-C 3.57Å; R172-R299 WeakPolarHBondContact O-CA 3.1Å; R172-V300 PolarHBondContact N-O 3.48Å; R172-V300 PolarHBondContact O-N 3.36Å
173	P	94.2	Very high	95.2	Very high	18 Å²	18	49.2 Å²	49.2	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	141.1	176.5	-25.5	36.2	0	0	0	112.5	T188 D190	P173-T188 HydrophobicContact CB-CG2 3.59Å; P173-T188 HydrophobicContact CG-CG2 4.32Å; P173-D190 WeakPolarHBondContact CD-OD2 3.37Å; P173-D190 HydrophobicContact CG-CB 4.45Å
174	R	94.1	Very high	95.3	Very high	126 Å²	126	53 Å²	53	48%	0.475	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-84.1	133.7	176.2	-175.5	-179.9	-64	-172.3	1	110.4	I297 G298 V300	R174-I297 HydrophobicContact CB-CG1 4.26Å; R174-I297 HydrophobicContact CG-CD1 4.36Å; R174-I297 HydrophobicContact CG-CG1 4.47Å; R174-I297 WeakPolarHBondContact O-CG1 3.46Å; R174-G298 WeakPolarHBondContact CB-O 3.3Å; R174-G298 PolarHBondContact N-O 3.39Å; R174-V300 HydrophobicContact CB-CG2 4.01Å; R174-V300 HydrophobicContact CG-CG2 4.11Å
175	Y	94.2	Very high	95.4	Very high	62 Å²	62	53.8 Å²	53.8	24%	0.243	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-97.6	144.2	165.2	-84.2	-96.2	0	0	0	110.8	T177 A182 L183 G186 T188 W295	Y175-T177 PolarHBondContact O-N 2.82Å; Y175-A182 WeakPolarHBondContact CE1-O 3.19Å; Y175-L183 HydrophobicContact CD1-CB 4.47Å; Y175-L183 HydrophobicContact CD1-CD1 3.82Å; Y175-L183 HydrophobicContact CD2-CD1 4.08Å; Y175-L183 HydrophobicContact CE1-CD1 4.03Å; Y175-L183 HydrophobicContact CE2-CD1 4.27Å; Y175-L183 HydrophobicContact CG-CD1 3.83Å; Y175-G186 PolarHBondContact OH-O 2.71Å; Y175-T188 HydrophobicContact CD2-CG2 3.98Å; Y175-T188 HydrophobicContact CE1-CG2 4.29Å; Y175-T188 HydrophobicContact CE2-CG2 3.27Å; Y175-T188 VanDerWaalsContact CZ-CG2 3.46Å; Y175-W295 AromaticContact CD1-CD1 3.58Å; Y175-W295 HydrophobicContact CD1-CG 4.42Å; Y175-W295 AromaticContact CD1-NE1 3.93Å; Y175-W295 AromaticContact CE1-CD1 3.47Å; Y175-W295 VanDerWaalsContact CE1-CD1 3.47Å; Y175-W295 AromaticContact CE1-NE1 3.92Å
176	P	94.4	Very high	95.4	Very high	10 Å²	10	54.1 Å²	54.1	7%	0.065	27%	0.267	C	S	.	.			trans	-79	100.5	172.7	30.7	-29.8	0	0	0	110.1	H178 I179 A182 W295 I297	P176-H178 PolarHBondContact O-N 3.04Å; P176-I179 HydrophobicContact CB-CB 4.36Å; P176-I179 HydrophobicContact CB-CD1 3.68Å; P176-I179 HydrophobicContact CB-CG1 4.01Å; P176-I179 HydrophobicContact CG-CB 4.3Å; P176-I179 HydrophobicContact CG-CD1 3.79Å; P176-I179 HydrophobicContact CG-CG1 4.32Å; P176-I179 PolarHBondContact O-N 2.77Å; P176-A182 HydrophobicContact CG-CB 3.78Å; P176-W295 HydrophobicContact CG-CD2 3.9Å; P176-W295 HydrophobicContact CG-CE3 3.74Å; P176-W295 HydrophobicContact CG-CH2 4.03Å; P176-W295 HydrophobicContact CG-CZ2 4.15Å; P176-W295 HydrophobicContact CG-CZ3 3.79Å; P176-I297 HydrophobicContact CB-CD1 3.88Å; P176-I297 HydrophobicContact CG-CD1 4.05Å
177	T	90.4	Very high	95.4	Very high	140 Å²	140	55.5 Å²	55.5	86%	0.859	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.9	-173.7	53.3	0	0	0	0	114.8	Y175	Y175-T177 PolarHBondContact O-N 2.82Å
178	H	94.3	Very high	95.4	Very high	158 Å²	158	55.6 Å²	55.6	73%	0.731	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.7	179.8	57.4	-80.2	0	0	0	113.2	P176	P176-H178 PolarHBondContact O-N 3.04Å
179	I	96.9	Very high	95.3	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.067	28%	0.276	C	S	.	.	S	Bend	trans	-99	116.6	-178	-62.7	-180	0	0	0	109	P176 G181 A182 P262 W295	P176-I179 HydrophobicContact CB-CB 4.36Å; P176-I179 HydrophobicContact CB-CD1 3.68Å; P176-I179 HydrophobicContact CB-CG1 4.01Å; P176-I179 HydrophobicContact CG-CB 4.3Å; P176-I179 HydrophobicContact CG-CD1 3.79Å; P176-I179 HydrophobicContact CG-CG1 4.32Å; P176-I179 PolarHBondContact O-N 2.77Å; I179-G181 PolarHBondContact O-N 2.83Å; I179-A182 HydrophobicContact CB-CB 3.88Å; I179-A182 HydrophobicContact CG2-CB 3.9Å; I179-A182 VanDerWaalsContact O-CB 3.31Å; I179-A182 WeakPolarHBondContact O-CB 3.21Å; I179-A182 PolarHBondContact O-N 3.26Å; I179-P262 HydrophobicContact CD1-CB 4.08Å; I179-P262 HydrophobicContact CD1-CG 3.74Å; I179-P262 WeakPolarHBondContact CD1-O 3.28Å; I179-W295 HydrophobicContact CD1-CH2 4.29Å; I179-W295 HydrophobicContact CD1-CZ3 4.42Å; I179-W295 HydrophobicContact CG2-CH2 4.48Å
180	E	97.3	Very high	95.2	Very high	116 Å²	116	55 Å²	55	54%	0.542	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-58	133.6	174	-174.7	-164.9	164.1	0	0	110.3	A182 R264 V265	E180-A182 PolarHBondContact O-N 3.33Å; E180-R264 HydrophobicContact CB-CG 4.24Å; E180-R264 WeakPolarHBondContact OE2-CD 3.37Å; E180-V265 PolarHBondContact O-N 3.14Å
181	G	97.4	Very high	95.3	Very high	16 Å²	16	56.9 Å²	56.9	17%	0.165	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-7.8	-179.6	0	0	0	0	0	115.5	I179 L183 E184 Y185	I179-G181 PolarHBondContact O-N 2.83Å; G181-L183 PolarHBondContact O-N 3.25Å; G181-E184 PolarHBondContact O-N 2.85Å; G181-Y185 WeakPolarHBondContact O-CD2 3.36Å; G181-Y185 PolarHBondContact O-N 3.32Å
182	A	96.9	Very high	95.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-42.6	-175.8	0	0	0	0	0	113.8	Y175 P176 I179 E180 G186 W295	Y175-A182 WeakPolarHBondContact CE1-O 3.19Å; P176-A182 HydrophobicContact CG-CB 3.78Å; I179-A182 HydrophobicContact CB-CB 3.88Å; I179-A182 HydrophobicContact CG2-CB 3.9Å; I179-A182 VanDerWaalsContact O-CB 3.31Å; I179-A182 WeakPolarHBondContact O-CB 3.21Å; I179-A182 PolarHBondContact O-N 3.26Å; E180-A182 PolarHBondContact O-N 3.33Å; A182-G186 WeakPolarHBondContact O-CA 3.42Å; A182-G186 PolarHBondContact O-N 3.03Å; A182-G186 VanDerWaalsContact O-N 3.13Å; A182-W295 HydrophobicContact CB-CH2 4.32Å; A182-W295 HydrophobicContact CB-CZ2 3.54Å; A182-W295 PolarHBondContact O-NE1 3.4Å
183	L	93.8	Very high	95.8	Very high	133 Å²	133	52.9 Å²	52.9	70%	0.696	26%	0.263	S	S	*	.	H	α-helix	trans	-75.9	-30.6	179.9	-171.7	63.7	0	0	0	112.8	Y175 G181	Y175-L183 HydrophobicContact CD1-CB 4.47Å; Y175-L183 HydrophobicContact CD1-CD1 3.82Å; Y175-L183 HydrophobicContact CD2-CD1 4.08Å; Y175-L183 HydrophobicContact CE1-CD1 4.03Å; Y175-L183 HydrophobicContact CE2-CD1 4.27Å; Y175-L183 HydrophobicContact CG-CD1 3.83Å; G181-L183 PolarHBondContact O-N 3.25Å
184	E	96.7	Very high	95.8	Very high	143 Å²	143	54.9 Å²	54.9	67%	0.668	27%	0.268	S	S	*	.	H	α-helix	trans	-81.1	-41.3	-176.1	-170.1	-178.4	154.2	0	0	112.1	G181	G181-E184 PolarHBondContact O-N 2.85Å
185	Y	97.8	Very high	96	Very high	67 Å²	67	50.9 Å²	50.9	26%	0.263	26%	0.256	S	S	.	.	H	α-helix	trans	-109.2	-19.7	-171	-55.5	-46.3	0	0	0	114.3	G181 V265 R267 L273	G181-Y185 WeakPolarHBondContact O-CD2 3.36Å; G181-Y185 PolarHBondContact O-N 3.32Å; Y185-V265 HydrophobicContact CD2-CG1 4.12Å; Y185-V265 HydrophobicContact CG-CG1 4.48Å; Y185-R267 HydrophobicContact CD1-CB 4.22Å; Y185-R267 HydrophobicContact CE1-CB 3.88Å; Y185-R267 HydrophobicContact CE2-CB 4.3Å; Y185-L273 HydrophobicContact CD1-CD2 4.44Å; Y185-L273 HydrophobicContact CG-CD2 4.12Å
186	G	97.6	Very high	95.9	Very high	6 Å²	6	56.5 Å²	56.5	6%	0.062	28%	0.281	C	S	.	.			trans	-90.4	150.6	-178.3	0	0	0	0	0	113.7	Y175 A182 V293	Y175-G186 PolarHBondContact OH-O 2.71Å; A182-G186 WeakPolarHBondContact O-CA 3.42Å; A182-G186 PolarHBondContact O-N 3.03Å; A182-G186 VanDerWaalsContact O-N 3.13Å; G186-V293 WeakPolarHBondContact CA-O 3.42Å
187	I	98.4	Very high	96.1	Very high	29 Å²	29	60.8 Å²	60.8	15%	0.149	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	172.9	175.8	70.1	164.1	0	0	0	110.9	D191 I192 L195 T292 V293 L294 W295	I187-D191 HydrophobicContact CB-CB 3.94Å; I187-D191 HydrophobicContact CG2-CB 4.4Å; I187-I192 HydrophobicContact CD1-CB 4.28Å; I187-L195 HydrophobicContact CD1-CD1 3.9Å; I187-T292 HydrophobicContact CD1-CG2 3.39Å; I187-T292 HydrophobicContact CG1-CG2 3.69Å; I187-V293 WeakPolarHBondContact CG1-O 3.46Å; I187-V293 PolarHBondContact N-O 3.19Å; I187-L294 HydrophobicContact CD1-CD1 4.26Å; I187-L294 HydrophobicContact CG1-CB 4.3Å; I187-L294 HydrophobicContact CG1-CD1 3.95Å; I187-W295 PolarHBondContact O-N 3.31Å
188	T	98.3	Very high	96.5	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	179.8	174.5	63.2	0	0	0	0	111.4	P173 Y175 D190 D191 I192 L294 W295	P173-T188 HydrophobicContact CB-CG2 3.59Å; P173-T188 HydrophobicContact CG-CG2 4.32Å; Y175-T188 HydrophobicContact CD2-CG2 3.98Å; Y175-T188 HydrophobicContact CE1-CG2 4.29Å; Y175-T188 HydrophobicContact CE2-CG2 3.27Å; Y175-T188 VanDerWaalsContact CZ-CG2 3.46Å; T188-D190 PolarHBondContact O-N 2.96Å; T188-D190 VanDerWaalsContact O-N 3.11Å; T188-D190 WeakPolarHBondContact OG1-CB 3.44Å; T188-D190 PolarHBondContact OG1-N 3.48Å; T188-D191 PolarHBondContact N-OD2 3.26Å; T188-D191 PolarHBondContact O-N 3.3Å; T188-D191 PolarHBondContact OG1-OD2 2.92Å; T188-I192 PolarHBondContact O-N 3.01Å; T188-L294 WeakPolarHBondContact O-CD1 3.43Å; T188-W295 HydrophobicContact CG2-CB 4.36Å
189	S	94.1	Very high	96.7	Very high	12 Å²	12	49.3 Å²	49.3	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-56.9	-23.2	171.7	61.6	0	0	0	0	112.8	D191 F193	S189-D191 PolarHBondContact O-N 3.35Å; S189-F193 WeakPolarHBondContact O-CD2 3.29Å; S189-F193 WeakPolarHBondContact O-CE2 3.35Å
190	D	92.6	Very high	96.7	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-23.6	176.6	-72.4	-6.5	0	0	0	113.1	W61 V70 R172 P173 T188	W61-D190 HydrophobicContact CH2-CB 3.95Å; W61-D190 HydrophobicContact CZ2-CB 3.7Å; V70-D190 HydrophobicContact CG1-CB 4.44Å; V70-D190 WeakPolarHBondContact CG2-OD1 3.27Å; R172-D190 IonicContact CZ-OD2 2.83Å; R172-D190 IonicContact NE-OD2 3.45Å; R172-D190 PolarHBondContact NE-OD2 3.17Å; R172-D190 IonicContact NH2-OD2 3.24Å; R172-D190 PolarHBondContact NH2-OD2 2.83Å; P173-D190 WeakPolarHBondContact CD-OD2 3.37Å; P173-D190 HydrophobicContact CG-CB 4.45Å; T188-D190 PolarHBondContact O-N 2.96Å; T188-D190 VanDerWaalsContact O-N 3.11Å; T188-D190 WeakPolarHBondContact OG1-CB 3.44Å; T188-D190 PolarHBondContact OG1-N 3.48Å
191	D	97.1	Very high	96.8	Very high	49 Å²	49	46.9 Å²	46.9	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-102.4	-39.3	-172.8	-51.5	-66.4	0	0	0	111.6	I187 T188 S189 F193 W194 L195	I187-D191 HydrophobicContact CB-CB 3.94Å; I187-D191 HydrophobicContact CG2-CB 4.4Å; T188-D191 PolarHBondContact N-OD2 3.26Å; T188-D191 PolarHBondContact O-N 3.3Å; T188-D191 PolarHBondContact OG1-OD2 2.92Å; S189-D191 PolarHBondContact O-N 3.35Å; D191-F193 VanDerWaalsContact C-N 3.27Å; D191-F193 PolarHBondContact O-N 3.4Å; D191-W194 CarbonylContact O-C 3.43Å; D191-W194 WeakPolarHBondContact O-CA 3.4Å; D191-W194 PolarHBondContact O-N 3.03Å; D191-L195 PolarHBondContact O-N 3.32Å
192	I	98.4	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.4	-39.1	-172.6	-168.3	163.5	0	0	0	113.4	W106 I187 T188 W194 C214 F217 L218 L294	W106-I192 HydrophobicContact CH2-CG1 4.38Å; W106-I192 WeakPolarHBondContact CZ2-O 3.35Å; I187-I192 HydrophobicContact CD1-CB 4.28Å; T188-I192 PolarHBondContact O-N 3.01Å; I192-W194 PolarHBondContact O-N 2.99Å; I192-C214 HydrophobicContact CD1-CB 4.49Å; I192-F217 HydrophobicContact CD1-CE2 4.31Å; I192-F217 HydrophobicContact CD1-CZ 3.88Å; I192-F217 HydrophobicContact CG1-CZ 4.29Å; I192-L218 HydrophobicContact CD1-CD1 3.94Å; I192-L218 HydrophobicContact CD1-CD2 4.23Å; I192-L218 HydrophobicContact CD1-CG 4.35Å; I192-L294 HydrophobicContact CD1-CD2 3.87Å
193	F	96.4	Very high	97	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.022	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.6	179	-53.8	-59.8	0	0	0	113.6	V70 P74 K75 M78 Q114 S189 D191 F217	V70-F193 HydrophobicContact CB-CD2 4.41Å; P74-F193 HydrophobicContact CB-CB 3.91Å; P74-F193 HydrophobicContact CB-CD1 3.75Å; P74-F193 HydrophobicContact CB-CD2 4.35Å; P74-F193 HydrophobicContact CB-CE1 4.41Å; P74-F193 HydrophobicContact CB-CG 3.73Å; P74-F193 HydrophobicContact CG-CB 4.25Å; P74-F193 HydrophobicContact CG-CD1 4.21Å; P74-F193 HydrophobicContact CG-CD2 3.98Å; P74-F193 HydrophobicContact CG-CE2 4.41Å; P74-F193 HydrophobicContact CG-CG 3.87Å; K75-F193 HydrophobicContact CB-CE1 4.03Å; K75-F193 HydrophobicContact CB-CZ 3.82Å; M78-F193 HydrophobicContact CE-CB 4.44Å; M78-F193 HydrophobicContact CE-CD1 3.99Å; M78-F193 HydrophobicContact SD-CD1 3.64Å; M78-F193 HydrophobicContact SD-CE1 4.09Å; Q114-F193 PolarHBondContact NE2-O 2.74Å; Q114-F193 VanDerWaalsContact NE2-O 3.13Å; S189-F193 WeakPolarHBondContact O-CD2 3.29Å; S189-F193 WeakPolarHBondContact O-CE2 3.35Å; D191-F193 VanDerWaalsContact C-N 3.27Å; D191-F193 PolarHBondContact O-N 3.4Å; F193-F217 AromaticContact CE1-CE1 3.93Å; F193-F217 HydrophobicContact CE1-CE1 3.93Å; F193-F217 HydrophobicContact CE1-CZ 4.06Å
194	W	95.7	Very high	97.2	Very high	61 Å²	61	39.8 Å²	39.8	23%	0.231	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	6	-175.3	-68.1	95.8	0	0	0	113.2	W61 N69 Q114 V117 D191 I192 K196	W61-W194 HydrophobicContact CB-CZ2 4.07Å; W61-W194 AromaticContact CD1-CD1 3.63Å; W61-W194 AromaticContact CD1-CE2 3.64Å; W61-W194 AromaticContact CD1-NE1 3.39Å; W61-W194 HydrophobicContact CG-CZ2 4.5Å; W61-W194 AromaticContact CG-NE1 3.98Å; W61-W194 AromaticContact NE1-CD1 3.8Å; W61-W194 AromaticContact NE1-NE1 3.98Å; N69-W194 PolarHBondContact O-NE1 3.28Å; Q114-W194 HydrophobicContact CB-CE3 4.41Å; Q114-W194 HydrophobicContact CB-CH2 4.25Å; Q114-W194 HydrophobicContact CB-CZ3 3.9Å; Q114-W194 HydrophobicContact CG-CD2 4.17Å; Q114-W194 HydrophobicContact CG-CE3 3.64Å; Q114-W194 HydrophobicContact CG-CH2 4.16Å; Q114-W194 HydrophobicContact CG-CZ3 3.63Å; V117-W194 HydrophobicContact CG1-CH2 4.36Å; V117-W194 HydrophobicContact CG1-CZ2 3.87Å; D191-W194 CarbonylContact O-C 3.43Å; D191-W194 WeakPolarHBondContact O-CA 3.4Å; D191-W194 PolarHBondContact O-N 3.03Å; I192-W194 PolarHBondContact O-N 2.99Å; W194-K196 PolarHBondContact O-N 3.22Å
195	L	97.1	Very high	97.3	Very high	42 Å²	42	33.3 Å²	33.3	22%	0.22	17%	0.165	C	C	.	.			trans	-63.7	130.9	173.8	-70.5	175.8	0	0	0	110.5	W106 I187 D191 E197 P199	W106-L195 HydrophobicContact CZ2-CB 4Å; W106-L195 PolarHBondContact NE1-O 2.71Å; W106-L195 VanDerWaalsContact NE1-O 3.1Å; I187-L195 HydrophobicContact CD1-CD1 3.9Å; D191-L195 PolarHBondContact O-N 3.32Å; L195-E197 WeakPolarHBondContact CB-O 3.42Å; L195-P199 HydrophobicContact CD1-CB 3.82Å; L195-P199 HydrophobicContact CD1-CG 4.41Å
196	K	93.3	Very high	97.4	Very high	179 Å²	179	30.6 Å²	30.6	78%	0.778	16%	0.157	S	C	*	.	S	Bend	trans	-72.9	-37.2	177.3	-64.6	-177.4	179.2	-179.4	0	112	W194	W194-K196 PolarHBondContact O-N 3.22Å
197	E	97.6	Very high	97.4	Very high	101 Å²	101	31.1 Å²	31.1	47%	0.472	16%	0.161	S	C	.	.	S	Bend	trans	-110.7	159.5	-179.1	-58.3	-54.9	152.8	0	0	110.4	W106 R107 L195	W106-E197 PolarHBondContact NE1-O 2.78Å; W106-E197 VanDerWaalsContact NE1-O 3.15Å; R107-E197 IonicContact CZ-OE1 3.05Å; R107-E197 VanDerWaalsContact CZ-OE1 3.29Å; R107-E197 IonicContact CZ-OE2 3.9Å; R107-E197 IonicContact NE-OE1 2.75Å; R107-E197 PolarHBondContact NE-OE1 3.31Å; R107-E197 IonicContact NE-OE2 3.94Å; R107-E197 PolarHBondContact NE-OE2 3.02Å; R107-E197 IonicContact NH2-OE1 2.92Å; R107-E197 PolarHBondContact NH2-OE1 2.71Å; R107-E197 IonicContact NH2-OE2 3.58Å; R107-E197 PolarHBondContact NH2-OE2 3.04Å; L195-E197 WeakPolarHBondContact CB-O 3.42Å
198	S	98.3	Very high	97.3	Very high	54 Å²	54	31.4 Å²	31.4	38%	0.378	17%	0.165	S	C	.	.			trans	-55.6	137.4	174.1	179.6	0	0	0	0	110.2	G200	S198-G200 PolarHBondContact O-N 3.06Å; S198-G200 PolarHBondContact OG-N 2.78Å
199	P	98.4	Very high	97.3	Very high	2 Å²	2	35 Å²	35	1%	0.013	18%	0.179	C	C	.	.			trans	-70.3	-6.4	174.8	29.8	-34.1	0	0	0	112.9	W106 L195 T202 L218 L223 D291 T292	W106-P199 HydrophobicContact CH2-CG 4.14Å; W106-P199 HydrophobicContact CZ3-CG 4.07Å; L195-P199 HydrophobicContact CD1-CB 3.82Å; L195-P199 HydrophobicContact CD1-CG 4.41Å; P199-T202 PolarHBondContact O-OG1 3.1Å; P199-L218 HydrophobicContact CG-CD2 3.66Å; P199-L223 HydrophobicContact CG-CD1 3.77Å; P199-D291 WeakPolarHBondContact O-CB 3.16Å; P199-T292 VanDerWaalsContact CA-OG1 3.32Å; P199-T292 WeakPolarHBondContact CA-OG1 3.16Å; P199-T292 HydrophobicContact CB-CG2 4.08Å; P199-T292 WeakPolarHBondContact CB-OG1 3.24Å; P199-T292 VanDerWaalsContact O-CB 3.29Å; P199-T292 WeakPolarHBondContact O-CB 3.08Å; P199-T292 PolarHBondContact O-OG1 3.45Å
200	G	98.6	Very high	97.5	Very high	17 Å²	17	35.8 Å²	35.8	18%	0.175	18%	0.183	C	C	.	.			trans	60.6	-144.1	177.4	0	0	0	0	0	112.1	S198 T202	S198-G200 PolarHBondContact O-N 3.06Å; S198-G200 PolarHBondContact OG-N 2.78Å; G200-T202 PolarHBondContact O-N 3.44Å; G200-T202 PolarHBondContact O-OG1 2.94Å
201	K	98.9	Very high	97.8	Very high	62 Å²	62	35.7 Å²	35.7	27%	0.27	18%	0.183	S	C	.	.	S	Bend	trans	-65.6	114.5	174.7	-174.4	-179.6	180	-161.4	0	109.9	D224 T289 F290 D291 T292	K201-D224 CarbonylContact C-O 3.2Å; K201-D224 VanDerWaalsContact CA-O 3.27Å; K201-D224 WeakPolarHBondContact CA-O 3.43Å; K201-D224 HydrophobicContact CB-CB 4.39Å; K201-D224 HydrophobicContact CG-CB 3.99Å; K201-T289 WeakPolarHBondContact CD-O 3.38Å; K201-T289 WeakPolarHBondContact CE-O 3.42Å; K201-T289 PolarHBondContact NZ-O 3.2Å; K201-F290 HydrophobicContact CD-CD1 4.38Å; K201-F290 HydrophobicContact CG-CD1 3.99Å; K201-D291 PolarHBondContact N-OD2 2.69Å; K201-D291 PolarHBondContact O-N 2.83Å; K201-T292 PolarHBondContact O-N 2.65Å
202	T	98.9	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	-167.3	-57.6	0	0	0	0	112.3	P199 G200 V204 L218 D224 T225 T226 T292 L294	P199-T202 PolarHBondContact O-OG1 3.1Å; G200-T202 PolarHBondContact O-N 3.44Å; G200-T202 PolarHBondContact O-OG1 2.94Å; T202-V204 HydrophobicContact CG2-CG2 4.06Å; T202-L218 HydrophobicContact CG2-CD1 3.79Å; T202-D224 PolarHBondContact N-O 3.33Å; T202-T225 WeakPolarHBondContact O-CA 3.39Å; T202-T226 PolarHBondContact O-N 3.16Å; T202-T292 WeakPolarHBondContact CA-O 3.48Å; T202-T292 HydrophobicContact CG2-CG2 4.19Å; T202-L294 HydrophobicContact CG2-CB 4.49Å
203	L	98.9	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.8	164.7	-176.8	64.7	0	0	0	109.6	V205 T226 M228 L257 V275 F290 T292 V293 L294	L203-V205 HydrophobicContact CD2-CG2 3.96Å; L203-V205 HydrophobicContact CG-CG2 4Å; L203-T226 CarbonylContact C-O 3.5Å; L203-T226 WeakPolarHBondContact CA-O 3.45Å; L203-T226 HydrophobicContact CD1-CG2 3.99Å; L203-M228 HydrophobicContact CD1-CB 4.01Å; L203-M228 HydrophobicContact CD1-CE 4.33Å; L203-M228 HydrophobicContact CD2-CE 4.06Å; L203-L257 HydrophobicContact CD1-CD1 4.32Å; L203-V275 HydrophobicContact CD2-CB 4.06Å; L203-V275 HydrophobicContact CD2-CG1 3.83Å; L203-V275 HydrophobicContact CD2-CG2 3.87Å; L203-F290 HydrophobicContact CB-CB 4.46Å; L203-F290 HydrophobicContact CB-CD1 3.63Å; L203-F290 HydrophobicContact CB-CD2 3.94Å; L203-F290 HydrophobicContact CB-CE1 3.75Å; L203-F290 HydrophobicContact CB-CE2 4.04Å; L203-F290 HydrophobicContact CB-CG 3.74Å; L203-F290 HydrophobicContact CB-CZ 3.96Å; L203-F290 HydrophobicContact CD1-CE1 4.1Å; L203-F290 HydrophobicContact CD1-CE2 4.33Å; L203-F290 HydrophobicContact CD1-CZ 3.83Å; L203-F290 HydrophobicContact CD2-CD2 4.28Å; L203-F290 HydrophobicContact CD2-CE2 3.96Å; L203-F290 HydrophobicContact CD2-CZ 4.31Å; L203-F290 HydrophobicContact CG-CE1 4.44Å; L203-F290 HydrophobicContact CG-CE2 4.34Å; L203-F290 HydrophobicContact CG-CZ 4.25Å; L203-T292 PolarHBondContact N-O 3.28Å; L203-V293 HydrophobicContact CB-CG2 4.45Å; L203-V293 HydrophobicContact CD2-CG1 4.47Å; L203-V293 CarbonylContact O-C 3.38Å; L203-V293 WeakPolarHBondContact O-CA 3.46Å; L203-L294 PolarHBondContact O-N 3.14Å
204	V	98.9	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.1	172.1	-176.9	0	0	0	0	108.9	T202 A211 A215 L218 T225 T226 I227 M228 L294 A296	T202-V204 HydrophobicContact CG2-CG2 4.06Å; V204-A211 HydrophobicContact CG1-CB 3.92Å; V204-A215 HydrophobicContact CB-CB 4.37Å; V204-A215 HydrophobicContact CG2-CB 4.04Å; V204-L218 HydrophobicContact CG2-CD1 4.31Å; V204-T225 HydrophobicContact CG2-CG2 4.09Å; V204-T226 PolarHBondContact N-O 3.06Å; V204-I227 HydrophobicContact CB-CG1 4.5Å; V204-I227 CarbonylContact O-C 3.54Å; V204-I227 WeakPolarHBondContact O-CA 3.15Å; V204-M228 PolarHBondContact O-N 3.44Å; V204-L294 HydrophobicContact CG1-CD2 3.99Å; V204-L294 HydrophobicContact CG1-CG 4.42Å; V204-L294 HydrophobicContact CG2-CB 4.3Å; V204-L294 HydrophobicContact CG2-CD2 3.99Å; V204-A296 HydrophobicContact CG1-CB 4.32Å
205	V	98.8	Very high	98.2	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.2	178.8	-173.9	0	0	0	0	109.7	L203 M228 P262 V293 L294 W295 A296 I297	L203-V205 HydrophobicContact CD2-CG2 3.96Å; L203-V205 HydrophobicContact CG-CG2 4Å; V205-M228 HydrophobicContact CG2-CB 4.39Å; V205-P262 HydrophobicContact CG1-CG 3.87Å; V205-P262 HydrophobicContact CG2-CG 4.29Å; V205-V293 HydrophobicContact CG2-CG1 4.24Å; V205-L294 PolarHBondContact N-O 3.05Å; V205-W295 HydrophobicContact CB-CE3 3.65Å; V205-W295 HydrophobicContact CB-CZ3 3.74Å; V205-W295 HydrophobicContact CG1-CE3 3.99Å; V205-W295 HydrophobicContact CG1-CZ3 3.82Å; V205-W295 HydrophobicContact CG2-CE3 3.89Å; V205-W295 HydrophobicContact CG2-CH2 4.33Å; V205-W295 HydrophobicContact CG2-CZ3 3.59Å; V205-A296 CarbonylContact O-C 3.56Å; V205-A296 WeakPolarHBondContact O-CA 3.48Å; V205-A296 PolarHBondContact O-N 3.33Å; V205-I297 HydrophobicContact CB-CG2 4.48Å; V205-I297 HydrophobicContact CG1-CG2 3.96Å; V205-I297 WeakPolarHBondContact O-CG2 3.42Å
206	G	98.2	Very high	98.3	Very high	9 Å²	9	28.7 Å²	28.7	9%	0.093	15%	0.151	C	C	.	.			trans	139.4	166.3	-178.5	0	0	0	0	0	112.1	A211 I227 M228	G206-A211 WeakPolarHBondContact O-CB 3.37Å; G206-I227 VanDerWaalsContact O-CG2 3.26Å; G206-I227 WeakPolarHBondContact O-CG2 3.28Å; G206-M228 PolarHBondContact N-O 3.39Å
207	A	97.6	Very high	98.5	Very high	18 Å²	18	20.2 Å²	20.2	15%	0.149	11%	0.114	C	C	.	.			trans	-133.9	19.3	178.8	0	0	0	0	0	111.8	M229 L234	A207-M229 HydrophobicContact CB-CB 3.82Å; A207-M229 HydrophobicContact CB-CE 3.8Å; A207-L234 PolarHBondContact O-N 3.1Å
208	S	97.9	Very high	98.6	Very high	35 Å²	35	15.4 Å²	15.4	25%	0.245	9%	0.091	C	C	.	.	S	Bend	trans	-79.1	168.3	176.7	64.4	0	0	0	0	110.9	V210 A211 L212 A296	S208-V210 PolarHBondContact O-N 3.27Å; S208-A211 WeakPolarHBondContact O-CB 3.23Å; S208-A211 PolarHBondContact O-N 2.91Å; S208-A211 PolarHBondContact OG-N 2.96Å; S208-L212 WeakPolarHBondContact O-CG 3.43Å; S208-L212 PolarHBondContact O-N 3.33Å; S208-A296 PolarHBondContact OG-O 3.4Å
209	Y	98.1	Very high	98.6	Very high	79 Å²	79	14 Å²	14	31%	0.31	8%	0.08	S	C	.	.	H	α-helix	trans	-55.8	-38.9	173.8	68.8	-92.2	0	0	0	111.5	A211 L212 E213	Y209-A211 VanDerWaalsContact C-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.45Å; Y209-L212 PolarHBondContact O-N 3.4Å; Y209-E213 VanDerWaalsContact O-CB 3.26Å; Y209-E213 WeakPolarHBondContact O-CB 3.23Å; Y209-E213 WeakPolarHBondContact O-CG 3.44Å; Y209-E213 PolarHBondContact O-N 3.44Å
210	V	98.3	Very high	98.6	Very high	28 Å²	28	15.7 Å²	15.7	17%	0.17	10%	0.098	C	C	.	.	H	α-helix	trans	-59.9	-42.6	175.4	179.8	0	0	0	0	111.5	S208 C214 A296	S208-V210 PolarHBondContact O-N 3.27Å; V210-C214 VanDerWaalsContact O-CB 3.3Å; V210-C214 WeakPolarHBondContact O-CB 3.33Å; V210-C214 PolarHBondContact O-N 2.99Å; V210-C214 PolarHBondContact O-SG 3.33Å; V210-A296 HydrophobicContact CG1-CB 4.28Å
211	A	98.7	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.3	-49	179	0	0	0	0	0	111.2	V204 G206 S208 Y209 C214 A215 A296	V204-A211 HydrophobicContact CG1-CB 3.92Å; G206-A211 WeakPolarHBondContact O-CB 3.37Å; S208-A211 WeakPolarHBondContact O-CB 3.23Å; S208-A211 PolarHBondContact O-N 2.91Å; S208-A211 PolarHBondContact OG-N 2.96Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.45Å; A211-C214 PolarHBondContact O-N 3.16Å; A211-A215 VanDerWaalsContact O-CB 3.32Å; A211-A215 WeakPolarHBondContact O-CB 3.12Å; A211-A215 PolarHBondContact O-N 3.49Å; A211-A296 HydrophobicContact CB-CB 3.65Å
212	L	98.9	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.6	-39.9	-177.2	-55.5	-170.9	0	0	0	112.2	S208 Y209 G216 I227 L234 V245 I246 M249 T382	S208-L212 WeakPolarHBondContact O-CG 3.43Å; S208-L212 PolarHBondContact O-N 3.33Å; Y209-L212 PolarHBondContact O-N 3.4Å; L212-G216 PolarHBondContact O-N 3.24Å; L212-I227 HydrophobicContact CD2-CD1 3.59Å; L212-I227 HydrophobicContact CD2-CG2 4.49Å; L212-L234 HydrophobicContact CD1-CD1 3.98Å; L212-L234 HydrophobicContact CD1-CD2 3.84Å; L212-L234 HydrophobicContact CD1-CG 3.66Å; L212-V245 HydrophobicContact CD1-CG1 4.05Å; L212-I246 HydrophobicContact CD1-CD1 3.83Å; L212-I246 HydrophobicContact CD2-CD1 3.6Å; L212-I246 HydrophobicContact CG-CD1 4.39Å; L212-M249 HydrophobicContact CB-CE 4.34Å; L212-M249 HydrophobicContact CB-SD 4.02Å; L212-M249 HydrophobicContact CD2-SD 4.32Å; L212-M249 WeakPolarHBondContact O-CE 3.39Å; L212-T382 HydrophobicContact CB-CG2 3.54Å
213	E	98.9	Very high	98.6	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-45.9	175.3	-70.9	179	156.5	0	0	111.4	K75 Y209 G216 F217 V380 F381	K75-E213 HydrophobicContact CD-CB 4.13Å; K75-E213 HydrophobicContact CD-CG 4.24Å; K75-E213 VanDerWaalsContact CD-OE2 3.24Å; K75-E213 WeakPolarHBondContact CD-OE2 3.47Å; K75-E213 WeakPolarHBondContact CE-OE2 3.17Å; K75-E213 HydrophobicContact CG-CB 4.2Å; K75-E213 IonicContact NZ-OE1 2.65Å; K75-E213 PolarHBondContact NZ-OE1 3.26Å; K75-E213 IonicContact NZ-OE2 3.52Å; K75-E213 PolarHBondContact NZ-OE2 3.32Å; Y209-E213 VanDerWaalsContact O-CB 3.26Å; Y209-E213 WeakPolarHBondContact O-CB 3.23Å; Y209-E213 WeakPolarHBondContact O-CG 3.44Å; Y209-E213 PolarHBondContact O-N 3.44Å; E213-G216 PolarHBondContact O-N 3.33Å; E213-F217 WeakPolarHBondContact O-CD1 3.26Å; E213-F217 PolarHBondContact O-N 2.92Å; E213-V380 HydrophobicContact CG-CG1 4.11Å; E213-F381 HydrophobicContact CG-CB 4.4Å; E213-F381 PolarHBondContact OE1-N 3.31Å
214	C	98.9	Very high	98.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-48.6	178.7	-67.4	0	0	0	0	111.8	I192 V210 A211 G216 F217 L218 L294	I192-C214 HydrophobicContact CD1-CB 4.49Å; V210-C214 VanDerWaalsContact O-CB 3.3Å; V210-C214 WeakPolarHBondContact O-CB 3.33Å; V210-C214 PolarHBondContact O-N 2.99Å; V210-C214 PolarHBondContact O-SG 3.33Å; A211-C214 PolarHBondContact O-N 3.16Å; C214-G216 VanDerWaalsContact C-N 3.29Å; C214-G216 PolarHBondContact O-N 3.43Å; C214-F217 HydrophobicContact CB-CE1 4Å; C214-F217 HydrophobicContact CB-CZ 4.27Å; C214-F217 PolarHBondContact O-N 3.16Å; C214-L218 WeakPolarHBondContact O-CB 3.37Å; C214-L218 WeakPolarHBondContact O-CD1 3.48Å; C214-L218 WeakPolarHBondContact O-CG 3.15Å; C214-L218 PolarHBondContact O-N 3.02Å; C214-L218 VanDerWaalsContact O-N 3.09Å; C214-L294 HydrophobicContact CB-CD2 3.63Å
215	A	98.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-40.7	178.1	0	0	0	0	0	112.2	V204 A211 L218 T219 T225 I227 M249 T254	V204-A215 HydrophobicContact CB-CB 4.37Å; V204-A215 HydrophobicContact CG2-CB 4.04Å; A211-A215 VanDerWaalsContact O-CB 3.32Å; A211-A215 WeakPolarHBondContact O-CB 3.12Å; A211-A215 PolarHBondContact O-N 3.49Å; A215-L218 PolarHBondContact O-N 3.14Å; A215-T219 PolarHBondContact O-N 2.86Å; A215-T219 PolarHBondContact O-OG1 2.88Å; A215-T225 HydrophobicContact CB-CG2 3.86Å; A215-I227 HydrophobicContact CB-CD1 3.28Å; A215-I227 HydrophobicContact CB-CG1 3.38Å; A215-M249 HydrophobicContact CB-CE 4.13Å; A215-T254 HydrophobicContact CB-CG2 4.36Å
216	G	98.8	Very high	98.6	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-50.2	178.8	0	0	0	0	0	113.1	L212 E213 C214 L218 G220 P383	L212-G216 PolarHBondContact O-N 3.24Å; E213-G216 PolarHBondContact O-N 3.33Å; C214-G216 VanDerWaalsContact C-N 3.29Å; C214-G216 PolarHBondContact O-N 3.43Å; G216-L218 VanDerWaalsContact C-N 3.35Å; G216-G220 PolarHBondContact O-N 2.67Å; G216-P383 VanDerWaalsContact CA-CG 3.47Å
217	F	98.8	Very high	98.6	Very high	1 Å²	1	20 Å²	20	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-34.3	178.5	75.8	-116.7	0	0	0	112.1	M78 A82 I192 F193 E213 C214 G220 I221	M78-F217 HydrophobicContact CB-CB 4.39Å; M78-F217 HydrophobicContact CB-CD1 4.06Å; M78-F217 HydrophobicContact CB-CD2 3.9Å; M78-F217 HydrophobicContact CB-CE1 4.27Å; M78-F217 HydrophobicContact CB-CE2 4.18Å; M78-F217 HydrophobicContact CB-CG 3.89Å; M78-F217 HydrophobicContact CB-CZ 4.38Å; M78-F217 HydrophobicContact SD-CD2 4.31Å; M78-F217 HydrophobicContact SD-CE1 4.44Å; M78-F217 HydrophobicContact SD-CE2 3.69Å; M78-F217 HydrophobicContact SD-CZ 3.79Å; A82-F217 HydrophobicContact CB-CB 4.09Å; I192-F217 HydrophobicContact CD1-CE2 4.31Å; I192-F217 HydrophobicContact CD1-CZ 3.88Å; I192-F217 HydrophobicContact CG1-CZ 4.29Å; F193-F217 AromaticContact CE1-CE1 3.93Å; F193-F217 HydrophobicContact CE1-CE1 3.93Å; F193-F217 HydrophobicContact CE1-CZ 4.06Å; E213-F217 WeakPolarHBondContact O-CD1 3.26Å; E213-F217 PolarHBondContact O-N 2.92Å; C214-F217 HydrophobicContact CB-CE1 4Å; C214-F217 HydrophobicContact CB-CZ 4.27Å; C214-F217 PolarHBondContact O-N 3.16Å; F217-G220 PolarHBondContact O-N 3.39Å; F217-I221 WeakPolarHBondContact O-CG1 3Å; F217-I221 PolarHBondContact O-N 2.96Å
218	L	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-45.4	177.3	-70.9	170.8	0	0	0	111.3	W106 I192 P199 T202 V204 C214 A215 G216 I221 G222 L223 T225	W106-L218 HydrophobicContact CZ3-CD2 4.11Å; I192-L218 HydrophobicContact CD1-CD1 3.94Å; I192-L218 HydrophobicContact CD1-CD2 4.23Å; I192-L218 HydrophobicContact CD1-CG 4.35Å; P199-L218 HydrophobicContact CG-CD2 3.66Å; T202-L218 HydrophobicContact CG2-CD1 3.79Å; V204-L218 HydrophobicContact CG2-CD1 4.31Å; C214-L218 WeakPolarHBondContact O-CB 3.37Å; C214-L218 WeakPolarHBondContact O-CD1 3.48Å; C214-L218 WeakPolarHBondContact O-CG 3.15Å; C214-L218 PolarHBondContact O-N 3.02Å; C214-L218 VanDerWaalsContact O-N 3.09Å; A215-L218 PolarHBondContact O-N 3.14Å; G216-L218 VanDerWaalsContact C-N 3.35Å; L218-I221 VanDerWaalsContact O-CG1 3.3Å; L218-I221 WeakPolarHBondContact O-CG1 3.28Å; L218-G222 PolarHBondContact O-N 3.08Å; L218-L223 HydrophobicContact CD2-CD1 3.71Å; L218-L223 WeakPolarHBondContact O-CB 3.4Å; L218-L223 PolarHBondContact O-N 3Å; L218-T225 HydrophobicContact CB-CG2 4.07Å; L218-T225 WeakPolarHBondContact CB-OG1 3.15Å; L218-T225 HydrophobicContact CD1-CG2 4.16Å
219	T	98.9	Very high	98.6	Very high	24 Å²	24	17.6 Å²	17.6	15%	0.147	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-45.5	172.3	-67.8	0	0	0	0	111.3	A215 I221 G222 T225 H252 T254	A215-T219 PolarHBondContact O-N 2.86Å; A215-T219 PolarHBondContact O-OG1 2.88Å; T219-I221 VanDerWaalsContact C-N 3.29Å; T219-I221 PolarHBondContact O-N 3.42Å; T219-G222 WeakPolarHBondContact O-CA 3.15Å; T219-G222 PolarHBondContact O-N 2.95Å; T219-T225 WeakPolarHBondContact OG1-CB 3.26Å; T219-H252 VanDerWaalsContact CG2-O 3.3Å; T219-H252 WeakPolarHBondContact CG2-O 3.18Å; T219-T254 PolarHBondContact OG1-OG1 3.22Å; T219-T254 VanDerWaalsContact OG1-OG1 3.13Å
220	G	98.3	Very high	98.5	Very high	37 Å²	37	23.2 Å²	23.2	38%	0.381	14%	0.135	S	C	.	.	H	α-helix	trans	-67.2	-24.7	-176.6	0	0	0	0	0	114.8	G216 F217 G222	G216-G220 PolarHBondContact O-N 2.67Å; F217-G220 PolarHBondContact O-N 3.39Å; G220-G222 VanDerWaalsContact C-N 3.3Å
221	I	98.5	Very high	98.3	Very high	17 Å²	17	24.4 Å²	24.4	9%	0.087	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	4.5	169.4	68.6	-179.4	0	0	0	113.4	A81 A82 W106 M109 F217 L218 T219 L223	A81-I221 HydrophobicContact CB-CG2 4.34Å; A82-I221 HydrophobicContact CB-CG2 4.22Å; W106-I221 HydrophobicContact CE3-CD1 3.85Å; W106-I221 HydrophobicContact CZ3-CD1 3.86Å; M109-I221 HydrophobicContact CE-CD1 3.96Å; M109-I221 HydrophobicContact SD-CG2 4.42Å; F217-I221 WeakPolarHBondContact O-CG1 3Å; F217-I221 PolarHBondContact O-N 2.96Å; L218-I221 VanDerWaalsContact O-CG1 3.3Å; L218-I221 WeakPolarHBondContact O-CG1 3.28Å; T219-I221 VanDerWaalsContact C-N 3.29Å; T219-I221 PolarHBondContact O-N 3.42Å; I221-L223 HydrophobicContact CD1-CD1 4.14Å; I221-L223 HydrophobicContact CG1-CD1 4.35Å; I221-L223 HydrophobicContact CG1-CG 4.22Å
222	G	98.1	Very high	98.2	Very high	65 Å²	65	27.8 Å²	27.8	67%	0.67	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	97	15.7	170.7	0	0	0	0	0	116.5	L218 T219 G220	L218-G222 PolarHBondContact O-N 3.08Å; T219-G222 WeakPolarHBondContact O-CA 3.15Å; T219-G222 PolarHBondContact O-N 2.95Å; G220-G222 VanDerWaalsContact C-N 3.3Å
223	L	98.7	Very high	98.1	Very high	36 Å²	36	28.3 Å²	28.3	19%	0.188	17%	0.166	C	C	.	.			trans	-90.1	140.2	179	-58.3	178.3	0	0	0	112.4	P199 L218 I221 T225	P199-L223 HydrophobicContact CG-CD1 3.77Å; L218-L223 HydrophobicContact CD2-CD1 3.71Å; L218-L223 WeakPolarHBondContact O-CB 3.4Å; L218-L223 PolarHBondContact O-N 3Å; I221-L223 HydrophobicContact CD1-CD1 4.14Å; I221-L223 HydrophobicContact CG1-CD1 4.35Å; I221-L223 HydrophobicContact CG1-CG 4.22Å; L223-T225 PolarHBondContact O-N 3.39Å; L223-T225 PolarHBondContact O-OG1 3.47Å
224	D	98.8	Very high	98.1	Very high	59 Å²	59	28 Å²	28	32%	0.316	17%	0.165	S	C	.	.			trans	-65.4	105.1	172.6	-176.8	-8.2	0	0	0	109.4	K201 T202 R255	K201-D224 CarbonylContact C-O 3.2Å; K201-D224 VanDerWaalsContact CA-O 3.27Å; K201-D224 WeakPolarHBondContact CA-O 3.43Å; K201-D224 HydrophobicContact CB-CB 4.39Å; K201-D224 HydrophobicContact CG-CB 3.99Å; T202-D224 PolarHBondContact N-O 3.33Å; D224-R255 IonicContact OD1-CZ 3.17Å; D224-R255 IonicContact OD1-NE 3.29Å; D224-R255 IonicContact OD1-NH1 2.73Å; D224-R255 PolarHBondContact OD1-NH1 3.35Å; D224-R255 IonicContact OD2-CZ 3.17Å; D224-R255 IonicContact OD2-NH1 2.82Å; D224-R255 PolarHBondContact OD2-NH1 2.89Å; D224-R255 IonicContact OD2-NH2 2.72Å
225	T	98.9	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.1	-170	-51	0	0	0	0	110.3	T202 V204 A215 L218 T219 L223 R255	T202-T225 WeakPolarHBondContact O-CA 3.39Å; V204-T225 HydrophobicContact CG2-CG2 4.09Å; A215-T225 HydrophobicContact CB-CG2 3.86Å; L218-T225 HydrophobicContact CB-CG2 4.07Å; L218-T225 WeakPolarHBondContact CB-OG1 3.15Å; L218-T225 HydrophobicContact CD1-CG2 4.16Å; T219-T225 WeakPolarHBondContact OG1-CB 3.26Å; L223-T225 PolarHBondContact O-N 3.39Å; L223-T225 PolarHBondContact O-OG1 3.47Å; T225-R255 PolarHBondContact O-N 2.99Å
226	T	98.9	Very high	97.8	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.7	178.7	-56.8	0	0	0	0	109.7	T202 L203 V204 R255 L257	T202-T226 PolarHBondContact O-N 3.16Å; L203-T226 CarbonylContact C-O 3.5Å; L203-T226 WeakPolarHBondContact CA-O 3.45Å; L203-T226 HydrophobicContact CD1-CG2 3.99Å; V204-T226 PolarHBondContact N-O 3.06Å; T226-R255 CarbonylContact C-O 3.55Å; T226-R255 WeakPolarHBondContact CA-O 3.24Å; T226-R255 HydrophobicContact CG2-CB 4.05Å; T226-L257 HydrophobicContact CG2-CD1 3.89Å; T226-L257 HydrophobicContact CG2-CG 3.78Å
227	I	98.9	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.2	171.3	-58.4	-174.2	0	0	0	109.1	V204 G206 L212 A215 M249 T254 R255 F256 L257	V204-I227 HydrophobicContact CB-CG1 4.5Å; V204-I227 CarbonylContact O-C 3.54Å; V204-I227 WeakPolarHBondContact O-CA 3.15Å; G206-I227 VanDerWaalsContact O-CG2 3.26Å; G206-I227 WeakPolarHBondContact O-CG2 3.28Å; L212-I227 HydrophobicContact CD2-CD1 3.59Å; L212-I227 HydrophobicContact CD2-CG2 4.49Å; A215-I227 HydrophobicContact CB-CD1 3.28Å; A215-I227 HydrophobicContact CB-CG1 3.38Å; I227-M249 HydrophobicContact CD1-CE 3.76Å; I227-T254 HydrophobicContact CD1-CG2 3.87Å; I227-T254 HydrophobicContact CG1-CG2 3.8Å; I227-R255 PolarHBondContact N-O 3.26Å; I227-F256 HydrophobicContact CB-CD1 3.84Å; I227-F256 HydrophobicContact CB-CE1 3.79Å; I227-F256 HydrophobicContact CD1-CE1 3.64Å; I227-F256 HydrophobicContact CD1-CZ 3.84Å; I227-F256 HydrophobicContact CG1-CE1 4.13Å; I227-F256 HydrophobicContact CG1-CZ 4.48Å; I227-F256 HydrophobicContact CG2-CD1 4.22Å; I227-F256 HydrophobicContact CG2-CE1 4.1Å; I227-F256 CarbonylContact O-C 3.46Å; I227-F256 WeakPolarHBondContact O-CA 3.48Å; I227-L257 PolarHBondContact O-N 2.69Å
228	M	98.8	Very high	97.8	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	170.2	-175.6	-179.2	-72.9	0	0	110.2	L203 V204 V205 G206 L257 C260 P262 W277	L203-M228 HydrophobicContact CD1-CB 4.01Å; L203-M228 HydrophobicContact CD1-CE 4.33Å; L203-M228 HydrophobicContact CD2-CE 4.06Å; V204-M228 PolarHBondContact O-N 3.44Å; V205-M228 HydrophobicContact CG2-CB 4.39Å; G206-M228 PolarHBondContact N-O 3.39Å; M228-L257 HydrophobicContact CB-CB 4.29Å; M228-L257 HydrophobicContact CE-CD1 3.53Å; M228-L257 HydrophobicContact CG-CB 4.21Å; M228-C260 HydrophobicContact CE-CB 4.46Å; M228-C260 HydrophobicContact CG-CB 3.72Å; M228-C260 HydrophobicContact SD-CB 4.24Å; M228-P262 HydrophobicContact SD-CB 4.09Å; M228-P262 VanDerWaalsContact SD-CD 3.52Å; M228-P262 HydrophobicContact SD-CG 3.97Å; M228-W277 HydrophobicContact CE-CB 3.58Å; M228-W277 HydrophobicContact CE-CD2 3.37Å; M228-W277 HydrophobicContact CE-CE3 3.53Å; M228-W277 HydrophobicContact CE-CG 3.39Å; M228-W277 HydrophobicContact CE-CZ3 4.33Å; M228-W277 HydrophobicContact SD-CB 4.01Å; M228-W277 HydrophobicContact SD-CG 4.35Å
229	M	97.1	Very high	97.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.5	-177.4	65.7	-167.6	-35.4	0	0	111.3	A207 P233 I246 F256 L257 R258 G259 C260	A207-M229 HydrophobicContact CB-CB 3.82Å; A207-M229 HydrophobicContact CB-CE 3.8Å; M229-P233 HydrophobicContact CE-CB 3.75Å; M229-P233 HydrophobicContact CE-CG 4.2Å; M229-I246 HydrophobicContact CE-CD1 4.34Å; M229-F256 HydrophobicContact SD-CD1 4Å; M229-L257 PolarHBondContact N-O 3.26Å; M229-R258 HydrophobicContact CG-CB 4.37Å; M229-R258 HydrophobicContact CG-CG 4.2Å; M229-R258 CarbonylContact O-C 3.46Å; M229-R258 HydrophobicContact SD-CG 3.92Å; M229-G259 PolarHBondContact O-N 3.21Å; M229-C260 CarbonylContact C-O 3.57Å; M229-C260 PolarHBondContact O-N 3.38Å; M229-C260 VanDerWaalsContact O-N 3.15Å
230	R	94.5	Very high	97.8	Very high	196 Å²	196	46.2 Å²	46.2	74%	0.74	26%	0.26	S	S	*	.	S	Bend	trans	-74	-33.6	177	-176.5	-179.7	65.1	177.5	0.4	113	C260	R230-C260 WeakPolarHBondContact CA-O 3.44Å; R230-C260 PolarHBondContact N-O 3.35Å
231	S	94.3	Very high	97.8	Very high	54 Å²	54	44.5 Å²	44.5	38%	0.378	24%	0.242	S	C	.	.	S	Bend	trans	-142.6	-147.6	-174.5	70.7	0	0	0	0	110.5	R235	S231-R235 PolarHBondContact OG-NH2 3.5Å; S231-R235 VanDerWaalsContact OG-NH2 3.09Å
232	I	97.2	Very high	97.9	Very high	70 Å²	70	43.7 Å²	43.7	36%	0.359	24%	0.238	S	C	.	.			trans	-65	148.1	178.3	68.6	-175.5	0	0	0	113.8	R235	I232-R235 HydrophobicContact CD1-CB 4.27Å; I232-R235 HydrophobicContact CD1-CG 4.28Å; I232-R235 HydrophobicContact CG1-CB 4.25Å
233	P	97.8	Very high	97.9	Very high	11 Å²	11	43 Å²	43	7%	0.071	22%	0.223	C	C	.	.	S	Bend	trans	-70.7	150.9	168.7	31.8	-35.5	0	0	0	112	M229 R235 Q239 I246	M229-P233 HydrophobicContact CE-CB 3.75Å; M229-P233 HydrophobicContact CE-CG 4.2Å; P233-R235 VanDerWaalsContact C-N 3.26Å; P233-R235 PolarHBondContact O-N 3.29Å; P233-R235 VanDerWaalsContact O-N 3.1Å; P233-Q239 PolarHBondContact O-NE2 3.3Å; P233-Q239 PolarHBondContact O-OE1 3.32Å; P233-I246 HydrophobicContact CB-CD1 3.79Å; P233-I246 HydrophobicContact CB-CG1 3.63Å; P233-I246 HydrophobicContact CG-CD1 4.47Å; P233-I246 HydrophobicContact CG-CG1 3.78Å
234	L	98.1	Very high	97.9	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.22	C	C	.	.	S	Bend	trans	45.9	49.4	168.8	-61	177.3	0	0	0	112.7	A207 L212 G236 F237 Q239 S242 V380 Y386	A207-L234 PolarHBondContact O-N 3.1Å; L212-L234 HydrophobicContact CD1-CD1 3.98Å; L212-L234 HydrophobicContact CD1-CD2 3.84Å; L212-L234 HydrophobicContact CD1-CG 3.66Å; L234-G236 PolarHBondContact O-N 2.88Å; L234-F237 HydrophobicContact CB-CB 4.01Å; L234-F237 HydrophobicContact CB-CD2 3.74Å; L234-F237 HydrophobicContact CB-CE2 4.5Å; L234-F237 HydrophobicContact CB-CG 4.05Å; L234-F237 HydrophobicContact CD2-CD2 4.46Å; L234-F237 HydrophobicContact CD2-CE2 4.43Å; L234-F237 WeakPolarHBondContact O-CB 3.45Å; L234-F237 WeakPolarHBondContact O-CD2 3.43Å; L234-F237 PolarHBondContact O-N 2.89Å; L234-Q239 PolarHBondContact O-NE2 3.44Å; L234-S242 WeakPolarHBondContact CB-OG 3.43Å; L234-V380 HydrophobicContact CD2-CG1 4.36Å; L234-V380 HydrophobicContact CD2-CG2 4.36Å; L234-Y386 HydrophobicContact CD1-CD1 4.16Å
235	R	96.7	Very high	97.9	Very high	172 Å²	172	39.7 Å²	39.7	65%	0.649	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	127.7	176.9	-179.2	179.8	-61	-82.4	-0.8	110	S231 I232 P233	S231-R235 PolarHBondContact OG-NH2 3.5Å; S231-R235 VanDerWaalsContact OG-NH2 3.09Å; I232-R235 HydrophobicContact CD1-CB 4.27Å; I232-R235 HydrophobicContact CD1-CG 4.28Å; I232-R235 HydrophobicContact CG1-CB 4.25Å; P233-R235 VanDerWaalsContact C-N 3.26Å; P233-R235 PolarHBondContact O-N 3.29Å; P233-R235 VanDerWaalsContact O-N 3.1Å
236	G	95.7	Very high	97.9	Very high	77 Å²	77	39.7 Å²	39.7	79%	0.794	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.2	-4.8	-175.5	0	0	0	0	0	114.5	L234	L234-G236 PolarHBondContact O-N 2.88Å
237	F	98.6	Very high	97.9	Very high	37 Å²	37	44.1 Å²	44.1	16%	0.162	23%	0.225	C	C	.	.	S	Bend	trans	-100.9	163.9	166.1	-66.9	-104.3	0	0	0	110.1	L234 Q239 T378 V380 Y386	L234-F237 HydrophobicContact CB-CB 4.01Å; L234-F237 HydrophobicContact CB-CD2 3.74Å; L234-F237 HydrophobicContact CB-CE2 4.5Å; L234-F237 HydrophobicContact CB-CG 4.05Å; L234-F237 HydrophobicContact CD2-CD2 4.46Å; L234-F237 HydrophobicContact CD2-CE2 4.43Å; L234-F237 WeakPolarHBondContact O-CB 3.45Å; L234-F237 WeakPolarHBondContact O-CD2 3.43Å; L234-F237 PolarHBondContact O-N 2.89Å; F237-Q239 PolarHBondContact O-N 3.38Å; F237-Q239 PolarHBondContact O-NE2 2.96Å; F237-T378 HydrophobicContact CE1-CG2 3.75Å; F237-T378 HydrophobicContact CZ-CG2 4.33Å; F237-V380 HydrophobicContact CE1-CG2 3.72Å; F237-V380 HydrophobicContact CZ-CG2 3.75Å; F237-Y386 HydrophobicContact CB-CE1 4.06Å; F237-Y386 HydrophobicContact CD1-CD1 4.27Å; F237-Y386 AromaticContact CD1-CE1 3.51Å; F237-Y386 HydrophobicContact CD1-CE1 3.51Å; F237-Y386 HydrophobicContact CE1-CE1 4.32Å; F237-Y386 HydrophobicContact CG-CE1 4.15Å
238	D	98.8	Very high	97.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.011	23%	0.227	C	C	.	.			trans	-51.8	120.2	170.4	-170	-75.5	0	0	0	112	Q240 M241 S242 E393 K430	D238-Q240 PolarHBondContact O-N 3.44Å; D238-Q240 WeakPolarHBondContact OD1-CB 3.41Å; D238-Q240 PolarHBondContact OD1-N 3.36Å; D238-Q240 VanDerWaalsContact OD1-N 3.1Å; D238-M241 HydrophobicContact CB-CB 4.19Å; D238-M241 HydrophobicContact CB-CG 3.83Å; D238-M241 PolarHBondContact O-N 2.89Å; D238-M241 WeakPolarHBondContact OD1-CG 3.47Å; D238-M241 PolarHBondContact OD1-N 3.1Å; D238-S242 WeakPolarHBondContact O-CB 3.46Å; D238-S242 PolarHBondContact O-N 3.15Å; D238-S242 PolarHBondContact O-OG 3.26Å; D238-E393 WeakPolarHBondContact OD2-CB 2.98Å; D238-E393 PolarHBondContact OD2-N 2.79Å; D238-K430 WeakPolarHBondContact OD1-CE 3.12Å; D238-K430 IonicContact OD1-NZ 3.59Å; D238-K430 PolarHBondContact OD1-NZ 3.49Å; D238-K430 WeakPolarHBondContact OD2-CE 3.1Å; D238-K430 IonicContact OD2-NZ 3.76Å; D238-K430 PolarHBondContact OD2-NZ 3.15Å
239	Q	98.8	Very high	97.9	Very high	47 Å²	47	44.3 Å²	44.3	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-73.9	-24.5	-170.6	-69.9	-56.5	-67.9	0	0	114.1	P233 L234 F237 S243 E394	P233-Q239 PolarHBondContact O-NE2 3.3Å; P233-Q239 PolarHBondContact O-OE1 3.32Å; L234-Q239 PolarHBondContact O-NE2 3.44Å; F237-Q239 PolarHBondContact O-N 3.38Å; F237-Q239 PolarHBondContact O-NE2 2.96Å; Q239-S243 WeakPolarHBondContact O-CB 2.98Å; Q239-S243 PolarHBondContact O-N 3.41Å; Q239-S243 PolarHBondContact O-OG 3.08Å; Q239-E394 WeakPolarHBondContact CG-OE1 3.13Å; Q239-E394 PolarHBondContact N-OE1 3.47Å
240	Q	98.8	Very high	97.9	Very high	75 Å²	75	46.4 Å²	46.4	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-49.6	172.1	-175.5	-167.7	22.4	0	0	109.7	D238 S242 S243 M244 Y428	D238-Q240 PolarHBondContact O-N 3.44Å; D238-Q240 WeakPolarHBondContact OD1-CB 3.41Å; D238-Q240 PolarHBondContact OD1-N 3.36Å; D238-Q240 VanDerWaalsContact OD1-N 3.1Å; Q240-S242 VanDerWaalsContact C-N 3.3Å; Q240-S242 PolarHBondContact O-N 2.84Å; Q240-S243 PolarHBondContact O-N 3.02Å; Q240-M244 HydrophobicContact CG-CE 4.27Å; Q240-M244 PolarHBondContact O-N 2.84Å; Q240-M244 VanDerWaalsContact O-N 3.13Å; Q240-Y428 PolarHBondContact NE2-OH 2.99Å
241	M	98.9	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-43	177.6	-56	-57.2	-59.3	0	0	111.2	D238 S243 M244 V245 Y386 Y428 K430 H445 L447	D238-M241 HydrophobicContact CB-CB 4.19Å; D238-M241 HydrophobicContact CB-CG 3.83Å; D238-M241 PolarHBondContact O-N 2.89Å; D238-M241 WeakPolarHBondContact OD1-CG 3.47Å; D238-M241 PolarHBondContact OD1-N 3.1Å; M241-S243 VanDerWaalsContact C-N 3.27Å; M241-S243 PolarHBondContact O-N 3.4Å; M241-M244 PolarHBondContact O-N 3.44Å; M241-V245 WeakPolarHBondContact O-CG2 3.43Å; M241-V245 PolarHBondContact O-N 3.32Å; M241-Y386 HydrophobicContact CB-CD2 4.32Å; M241-Y386 HydrophobicContact CB-CE1 4.03Å; M241-Y386 HydrophobicContact CB-CE2 3.77Å; M241-Y386 HydrophobicContact CE-CD2 4.2Å; M241-Y386 HydrophobicContact CE-CE2 4.09Å; M241-Y386 HydrophobicContact CG-CE2 3.97Å; M241-Y428 HydrophobicContact CE-CD1 3.98Å; M241-Y428 HydrophobicContact SD-CD1 3.61Å; M241-Y428 HydrophobicContact SD-CE1 3.73Å; M241-K430 HydrophobicContact SD-CD 4.31Å; M241-K430 HydrophobicContact SD-CG 4.1Å; M241-H445 HydrophobicContact CE-CB 3.9Å; M241-H445 HydrophobicContact CG-CB 3.74Å; M241-H445 HydrophobicContact SD-CB 3.8Å; M241-L447 HydrophobicContact CE-CB 3.61Å
242	S	98.8	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-35.5	178.8	-56	0	0	0	0	112.4	L234 D238 Q240 I246	L234-S242 WeakPolarHBondContact CB-OG 3.43Å; D238-S242 WeakPolarHBondContact O-CB 3.46Å; D238-S242 PolarHBondContact O-N 3.15Å; D238-S242 PolarHBondContact O-OG 3.26Å; Q240-S242 VanDerWaalsContact C-N 3.3Å; Q240-S242 PolarHBondContact O-N 2.84Å; S242-I246 WeakPolarHBondContact O-CG1 3.44Å; S242-I246 PolarHBondContact O-N 3.33Å
243	S	98.6	Very high	98.3	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-44	176.3	-60.2	0	0	0	0	111.7	Q239 Q240 M241 V245 I246 E247	Q239-S243 WeakPolarHBondContact O-CB 2.98Å; Q239-S243 PolarHBondContact O-N 3.41Å; Q239-S243 PolarHBondContact O-OG 3.08Å; Q240-S243 PolarHBondContact O-N 3.02Å; M241-S243 VanDerWaalsContact C-N 3.27Å; M241-S243 PolarHBondContact O-N 3.4Å; S243-V245 VanDerWaalsContact C-N 3.3Å; S243-V245 PolarHBondContact O-N 2.98Å; S243-I246 PolarHBondContact O-N 2.91Å; S243-I246 VanDerWaalsContact O-N 3.09Å; S243-E247 WeakPolarHBondContact O-CG 3.13Å; S243-E247 PolarHBondContact O-N 3.29Å
244	M	98.8	Very high	98.4	Very high	22 Å²	22	40.3 Å²	40.3	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-36.1	176.4	-68.2	-176.6	178.6	0	0	112.7	Q240 M241 I246 E247 H248 Q426 Y428 L447	Q240-M244 HydrophobicContact CG-CE 4.27Å; Q240-M244 PolarHBondContact O-N 2.84Å; Q240-M244 VanDerWaalsContact O-N 3.13Å; M241-M244 PolarHBondContact O-N 3.44Å; M244-I246 VanDerWaalsContact C-N 3.34Å; M244-I246 PolarHBondContact O-N 2.95Å; M244-E247 PolarHBondContact O-N 3.09Å; M244-H248 WeakPolarHBondContact O-CB 3.28Å; M244-H248 PolarHBondContact O-N 3.11Å; M244-Q426 HydrophobicContact CB-CB 4.38Å; M244-Y428 HydrophobicContact CE-CD1 3.86Å; M244-Y428 HydrophobicContact CE-CD2 4.21Å; M244-Y428 HydrophobicContact CE-CE1 4.09Å; M244-Y428 HydrophobicContact CE-CE2 4.45Å; M244-Y428 HydrophobicContact CE-CG 3.9Å; M244-Y428 HydrophobicContact SD-CD1 3.62Å; M244-Y428 HydrophobicContact SD-CE1 4.34Å; M244-Y428 HydrophobicContact SD-CG 3.74Å; M244-L447 HydrophobicContact CB-CD2 3.39Å; M244-L447 HydrophobicContact SD-CD2 4.43Å
245	V	98.9	Very high	98.4	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-47.4	171.9	167.9	0	0	0	0	111	L212 M241 S243 H248 M249 T382 Y386 L447	L212-V245 HydrophobicContact CD1-CG1 4.05Å; M241-V245 WeakPolarHBondContact O-CG2 3.43Å; M241-V245 PolarHBondContact O-N 3.32Å; S243-V245 VanDerWaalsContact C-N 3.3Å; S243-V245 PolarHBondContact O-N 2.98Å; V245-H248 PolarHBondContact O-N 2.99Å; V245-M249 HydrophobicContact CG1-SD 4.22Å; V245-M249 WeakPolarHBondContact O-CG 3.37Å; V245-M249 PolarHBondContact O-N 3.05Å; V245-T382 HydrophobicContact CG1-CG2 3.7Å; V245-Y386 HydrophobicContact CG2-CD1 4.37Å; V245-Y386 HydrophobicContact CG2-CG 4.32Å; V245-L447 HydrophobicContact CG2-CD1 3.65Å; V245-L447 HydrophobicContact CG2-CD2 4.28Å
246	I	98.6	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-41.5	-179.8	-62.1	-67.4	0	0	0	111.4	L212 M229 P233 S242 S243 M244 H248 M249 A250 F256	L212-I246 HydrophobicContact CD1-CD1 3.83Å; L212-I246 HydrophobicContact CD2-CD1 3.6Å; L212-I246 HydrophobicContact CG-CD1 4.39Å; M229-I246 HydrophobicContact CE-CD1 4.34Å; P233-I246 HydrophobicContact CB-CD1 3.79Å; P233-I246 HydrophobicContact CB-CG1 3.63Å; P233-I246 HydrophobicContact CG-CD1 4.47Å; P233-I246 HydrophobicContact CG-CG1 3.78Å; S242-I246 WeakPolarHBondContact O-CG1 3.44Å; S242-I246 PolarHBondContact O-N 3.33Å; S243-I246 PolarHBondContact O-N 2.91Å; S243-I246 VanDerWaalsContact O-N 3.09Å; M244-I246 VanDerWaalsContact C-N 3.34Å; M244-I246 PolarHBondContact O-N 2.95Å; I246-H248 VanDerWaalsContact C-N 3.33Å; I246-H248 PolarHBondContact O-N 3.49Å; I246-M249 PolarHBondContact O-N 3.19Å; I246-A250 WeakPolarHBondContact O-CB 3.46Å; I246-A250 PolarHBondContact O-N 3.04Å; I246-F256 HydrophobicContact CB-CZ 4.5Å; I246-F256 HydrophobicContact CD1-CD1 4.48Å; I246-F256 HydrophobicContact CD1-CE1 3.52Å; I246-F256 HydrophobicContact CD1-CZ 3.88Å; I246-F256 HydrophobicContact CG2-CD1 4.03Å; I246-F256 HydrophobicContact CG2-CD2 4.39Å; I246-F256 HydrophobicContact CG2-CE1 3.71Å; I246-F256 HydrophobicContact CG2-CE2 4.09Å; I246-F256 HydrophobicContact CG2-CG 4.36Å; I246-F256 HydrophobicContact CG2-CZ 3.75Å
247	E	98.6	Very high	98.6	Very high	103 Å²	103	38.5 Å²	38.5	48%	0.481	21%	0.21	S	C	.	.	H	α-helix	trans	-58.9	-44.8	175.9	-73.3	170.6	-168.4	0	0	111.5	S243 M244 A250 S251 Q426	S243-E247 WeakPolarHBondContact O-CG 3.13Å; S243-E247 PolarHBondContact O-N 3.29Å; M244-E247 PolarHBondContact O-N 3.09Å; E247-A250 PolarHBondContact O-N 3.1Å; E247-S251 PolarHBondContact O-N 3.45Å; E247-S251 PolarHBondContact O-OG 3.14Å; E247-Q426 HydrophobicContact CB-CG 4.34Å
248	H	98.8	Very high	98.5	Very high	5 Å²	5	43 Å²	43	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-48	175.4	-175.5	82.3	0	0	0	111.8	M244 V245 I246 A250 S251 H252 L384 Q426	M244-H248 WeakPolarHBondContact O-CB 3.28Å; M244-H248 PolarHBondContact O-N 3.11Å; V245-H248 PolarHBondContact O-N 2.99Å; I246-H248 VanDerWaalsContact C-N 3.33Å; I246-H248 PolarHBondContact O-N 3.49Å; H248-A250 VanDerWaalsContact C-N 3.27Å; H248-A250 PolarHBondContact O-N 3.49Å; H248-S251 PolarHBondContact O-N 2.81Å; H248-S251 PolarHBondContact O-OG 3.06Å; H248-H252 AromaticContact CD2-ND1 3.89Å; H248-H252 AromaticContact CE1-CD2 3.98Å; H248-H252 AromaticContact CE1-CE1 3.05Å; H248-H252 PolarHBondContact CE1-CE1 3.09Å; H248-H252 AromaticContact CE1-ND1 3.44Å; H248-H252 PolarHBondContact CE1-ND1 2.93Å; H248-H252 AromaticContact CE1-NE2 3.4Å; H248-H252 PolarHBondContact CE1-NE2 3.22Å; H248-H252 AromaticContact CG-ND1 3.92Å; H248-H252 AromaticContact ND1-CE1 3.36Å; H248-H252 PolarHBondContact ND1-CE1 3.1Å; H248-H252 AromaticContact ND1-ND1 3.63Å; H248-H252 AromaticContact NE2-CD2 3.98Å; H248-H252 AromaticContact NE2-CE1 3.66Å; H248-H252 AromaticContact NE2-CG 3.83Å; H248-H252 AromaticContact NE2-ND1 3.61Å; H248-H252 AromaticContact NE2-NE2 3.87Å; H248-H252 WeakPolarHBondContact O-CB 3.28Å; H248-H252 PolarHBondContact O-N 2.86Å; H248-H252 VanDerWaalsContact O-N 3.1Å; H248-H252 PolarHBondContact O-ND1 2.91Å; H248-L384 HydrophobicContact CB-CB 4.46Å; H248-L384 HydrophobicContact CB-CD2 4.47Å; H248-L384 WeakPolarHBondContact CD2-CB 3.42Å; H248-L384 WeakPolarHBondContact NE2-CB 3.26Å; H248-Q426 HydrophobicContact CB-CB 4.14Å; H248-Q426 HydrophobicContact CB-CG 4Å; H248-Q426 PolarHBondContact ND1-OE1 3.26Å; H248-Q426 VanDerWaalsContact ND1-OE1 3.14Å
249	M	98.8	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-39.6	178.1	-70.3	-179.5	78.2	0	0	112.2	L212 A215 I227 V245 I246 H252 G253 T254 F256 T382 P383	L212-M249 HydrophobicContact CB-CE 4.34Å; L212-M249 HydrophobicContact CB-SD 4.02Å; L212-M249 HydrophobicContact CD2-SD 4.32Å; L212-M249 WeakPolarHBondContact O-CE 3.39Å; A215-M249 HydrophobicContact CB-CE 4.13Å; I227-M249 HydrophobicContact CD1-CE 3.76Å; V245-M249 HydrophobicContact CG1-SD 4.22Å; V245-M249 WeakPolarHBondContact O-CG 3.37Å; V245-M249 PolarHBondContact O-N 3.05Å; I246-M249 PolarHBondContact O-N 3.19Å; M249-H252 CarbonylContact O-C 3.26Å; M249-H252 PolarHBondContact O-N 3.43Å; M249-G253 PolarHBondContact O-N 3.33Å; M249-T254 HydrophobicContact CE-CG2 4.19Å; M249-T254 VanDerWaalsContact O-CB 3.29Å; M249-T254 WeakPolarHBondContact O-CB 3.38Å; M249-T254 PolarHBondContact O-N 2.83Å; M249-T254 PolarHBondContact O-OG1 2.98Å; M249-F256 HydrophobicContact CB-CE2 3.94Å; M249-F256 HydrophobicContact CB-CZ 3.83Å; M249-F256 HydrophobicContact SD-CZ 4.37Å; M249-T382 HydrophobicContact SD-CG2 3.84Å; M249-P383 HydrophobicContact CG-CG 4.29Å
250	A	98.6	Very high	98.4	Very high	46 Å²	46	41.8 Å²	41.8	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-67.2	-43.8	178.5	0	0	0	0	0	112.3	I246 E247 H248 H252 G253 T254 F256	I246-A250 WeakPolarHBondContact O-CB 3.46Å; I246-A250 PolarHBondContact O-N 3.04Å; E247-A250 PolarHBondContact O-N 3.1Å; H248-A250 VanDerWaalsContact C-N 3.27Å; H248-A250 PolarHBondContact O-N 3.49Å; A250-H252 PolarHBondContact O-N 3.42Å; A250-G253 PolarHBondContact O-N 2.85Å; A250-T254 WeakPolarHBondContact CA-O 3.42Å; A250-F256 HydrophobicContact CB-CD2 3.96Å; A250-F256 HydrophobicContact CB-CE2 3.94Å
251	S	98.2	Very high	98.3	Very high	72 Å²	72	39.9 Å²	39.9	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-66.5	-19.8	176.5	62.5	0	0	0	0	113	E247 H248	E247-S251 PolarHBondContact O-N 3.45Å; E247-S251 PolarHBondContact O-OG 3.14Å; H248-S251 PolarHBondContact O-N 2.81Å; H248-S251 PolarHBondContact O-OG 3.06Å
252	H	97.9	Very high	98.3	Very high	76 Å²	76	40.8 Å²	40.8	35%	0.352	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	23.3	179.3	-62.5	69.2	0	0	0	113	T219 H248 M249 A250	T219-H252 VanDerWaalsContact CG2-O 3.3Å; T219-H252 WeakPolarHBondContact CG2-O 3.18Å; H248-H252 AromaticContact CD2-ND1 3.89Å; H248-H252 AromaticContact CE1-CD2 3.98Å; H248-H252 AromaticContact CE1-CE1 3.05Å; H248-H252 PolarHBondContact CE1-CE1 3.09Å; H248-H252 AromaticContact CE1-ND1 3.44Å; H248-H252 PolarHBondContact CE1-ND1 2.93Å; H248-H252 AromaticContact CE1-NE2 3.4Å; H248-H252 PolarHBondContact CE1-NE2 3.22Å; H248-H252 AromaticContact CG-ND1 3.92Å; H248-H252 AromaticContact ND1-CE1 3.36Å; H248-H252 PolarHBondContact ND1-CE1 3.1Å; H248-H252 AromaticContact ND1-ND1 3.63Å; H248-H252 AromaticContact NE2-CD2 3.98Å; H248-H252 AromaticContact NE2-CE1 3.66Å; H248-H252 AromaticContact NE2-CG 3.83Å; H248-H252 AromaticContact NE2-ND1 3.61Å; H248-H252 AromaticContact NE2-NE2 3.87Å; H248-H252 WeakPolarHBondContact O-CB 3.28Å; H248-H252 PolarHBondContact O-N 2.86Å; H248-H252 VanDerWaalsContact O-N 3.1Å; H248-H252 PolarHBondContact O-ND1 2.91Å; M249-H252 CarbonylContact O-C 3.26Å; M249-H252 PolarHBondContact O-N 3.43Å; A250-H252 PolarHBondContact O-N 3.42Å
253	G	98.1	Very high	98.2	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-2.2	164.4	0	0	0	0	0	116.5	M249 A250 R255	M249-G253 PolarHBondContact O-N 3.33Å; A250-G253 PolarHBondContact O-N 2.85Å; G253-R255 PolarHBondContact O-N 3.46Å
254	T	98.8	Very high	98.2	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.037	24%	0.239	C	C	.	.			trans	-73.8	126.6	170.5	-53.9	0	0	0	0	109.6	A215 T219 I227 M249 A250 F256	A215-T254 HydrophobicContact CB-CG2 4.36Å; T219-T254 PolarHBondContact OG1-OG1 3.22Å; T219-T254 VanDerWaalsContact OG1-OG1 3.13Å; I227-T254 HydrophobicContact CD1-CG2 3.87Å; I227-T254 HydrophobicContact CG1-CG2 3.8Å; M249-T254 HydrophobicContact CE-CG2 4.19Å; M249-T254 VanDerWaalsContact O-CB 3.29Å; M249-T254 WeakPolarHBondContact O-CB 3.38Å; M249-T254 PolarHBondContact O-N 2.83Å; M249-T254 PolarHBondContact O-OG1 2.98Å; A250-T254 WeakPolarHBondContact CA-O 3.42Å; T254-F256 HydrophobicContact CG2-CE2 3.84Å; T254-F256 HydrophobicContact CG2-CZ 3.99Å; T254-F256 WeakPolarHBondContact O-CD2 3.4Å; T254-F256 WeakPolarHBondContact O-CE2 3.44Å
255	R	98.8	Very high	98.2	Very high	134 Å²	134	42.8 Å²	42.8	51%	0.506	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	151.4	176.6	-63.7	178.4	-178.1	150.6	3.1	111.2	D224 T225 T226 I227 G253	D224-R255 IonicContact OD1-CZ 3.17Å; D224-R255 IonicContact OD1-NE 3.29Å; D224-R255 IonicContact OD1-NH1 2.73Å; D224-R255 PolarHBondContact OD1-NH1 3.35Å; D224-R255 IonicContact OD2-CZ 3.17Å; D224-R255 IonicContact OD2-NH1 2.82Å; D224-R255 PolarHBondContact OD2-NH1 2.89Å; D224-R255 IonicContact OD2-NH2 2.72Å; T225-R255 PolarHBondContact O-N 2.99Å; T226-R255 CarbonylContact C-O 3.55Å; T226-R255 WeakPolarHBondContact CA-O 3.24Å; T226-R255 HydrophobicContact CG2-CB 4.05Å; I227-R255 PolarHBondContact N-O 3.26Å; G253-R255 PolarHBondContact O-N 3.46Å
256	F	98.5	Very high	98.1	Very high	40 Å²	40	47.8 Å²	47.8	18%	0.175	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128	-179.5	-73.2	-90.6	0	0	0	112.2	I227 M229 I246 M249 A250 T254 R258	I227-F256 HydrophobicContact CB-CD1 3.84Å; I227-F256 HydrophobicContact CB-CE1 3.79Å; I227-F256 HydrophobicContact CD1-CE1 3.64Å; I227-F256 HydrophobicContact CD1-CZ 3.84Å; I227-F256 HydrophobicContact CG1-CE1 4.13Å; I227-F256 HydrophobicContact CG1-CZ 4.48Å; I227-F256 HydrophobicContact CG2-CD1 4.22Å; I227-F256 HydrophobicContact CG2-CE1 4.1Å; I227-F256 CarbonylContact O-C 3.46Å; I227-F256 WeakPolarHBondContact O-CA 3.48Å; M229-F256 HydrophobicContact SD-CD1 4Å; I246-F256 HydrophobicContact CB-CZ 4.5Å; I246-F256 HydrophobicContact CD1-CD1 4.48Å; I246-F256 HydrophobicContact CD1-CE1 3.52Å; I246-F256 HydrophobicContact CD1-CZ 3.88Å; I246-F256 HydrophobicContact CG2-CD1 4.03Å; I246-F256 HydrophobicContact CG2-CD2 4.39Å; I246-F256 HydrophobicContact CG2-CE1 3.71Å; I246-F256 HydrophobicContact CG2-CE2 4.09Å; I246-F256 HydrophobicContact CG2-CG 4.36Å; I246-F256 HydrophobicContact CG2-CZ 3.75Å; M249-F256 HydrophobicContact CB-CE2 3.94Å; M249-F256 HydrophobicContact CB-CZ 3.83Å; M249-F256 HydrophobicContact SD-CZ 4.37Å; A250-F256 HydrophobicContact CB-CD2 3.96Å; A250-F256 HydrophobicContact CB-CE2 3.94Å; T254-F256 HydrophobicContact CG2-CE2 3.84Å; T254-F256 HydrophobicContact CG2-CZ 3.99Å; T254-F256 WeakPolarHBondContact O-CD2 3.4Å; T254-F256 WeakPolarHBondContact O-CE2 3.44Å; F256-R258 HydrophobicContact CB-CG 4.25Å
257	L	98.3	Very high	98.1	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.204	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	98	165.8	-62.7	173.8	0	0	0	107.6	L203 T226 I227 M228 M229 C260 W277	L203-L257 HydrophobicContact CD1-CD1 4.32Å; T226-L257 HydrophobicContact CG2-CD1 3.89Å; T226-L257 HydrophobicContact CG2-CG 3.78Å; I227-L257 PolarHBondContact O-N 2.69Å; M228-L257 HydrophobicContact CB-CB 4.29Å; M228-L257 HydrophobicContact CE-CD1 3.53Å; M228-L257 HydrophobicContact CG-CB 4.21Å; M229-L257 PolarHBondContact N-O 3.26Å; L257-C260 HydrophobicContact CB-CB 3.96Å; L257-W277 HydrophobicContact CD1-CD2 4.32Å; L257-W277 HydrophobicContact CD1-CH2 4.05Å; L257-W277 HydrophobicContact CD1-CZ2 3.73Å; L257-W277 HydrophobicContact CD1-CZ3 4.46Å; L257-W277 HydrophobicContact CD2-CZ2 4.21Å
258	R	97.3	Very high	98.1	Very high	132 Å²	132	53 Å²	53	50%	0.498	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.7	-175.9	-59.7	-176	-178.8	-119.5	9.9	110.8	M229 F256 C260	M229-R258 HydrophobicContact CG-CB 4.37Å; M229-R258 HydrophobicContact CG-CG 4.2Å; M229-R258 CarbonylContact O-C 3.46Å; M229-R258 HydrophobicContact SD-CG 3.92Å; F256-R258 HydrophobicContact CB-CG 4.25Å; R258-C260 PolarHBondContact O-N 2.92Å; R258-C260 PolarHBondContact O-SG 3.19Å
259	G	96.9	Very high	98	Very high	16 Å²	16	59.6 Å²	59.6	17%	0.165	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	23.6	-177.1	0	0	0	0	0	112.9	M229 S280	M229-G259 PolarHBondContact O-N 3.21Å; G259-S280 WeakPolarHBondContact O-CB 3.35Å; G259-S280 PolarHBondContact O-N 3.13Å; G259-S280 PolarHBondContact O-OG 3.09Å
260	C	97.7	Very high	97.8	Very high	7 Å²	7	64.8 Å²	64.8	5%	0.047	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.2	-173.7	-69.5	0	0	0	0	111.1	M228 M229 R230 L257 R258 E278	M228-C260 HydrophobicContact CE-CB 4.46Å; M228-C260 HydrophobicContact CG-CB 3.72Å; M228-C260 HydrophobicContact SD-CB 4.24Å; M229-C260 CarbonylContact C-O 3.57Å; M229-C260 PolarHBondContact O-N 3.38Å; M229-C260 VanDerWaalsContact O-N 3.15Å; R230-C260 WeakPolarHBondContact CA-O 3.44Å; R230-C260 PolarHBondContact N-O 3.35Å; L257-C260 HydrophobicContact CB-CB 3.96Å; R258-C260 PolarHBondContact O-N 2.92Å; R258-C260 PolarHBondContact O-SG 3.19Å; C260-E278 VanDerWaalsContact CA-O 3.3Å; C260-E278 WeakPolarHBondContact CA-O 3.23Å
261	A	96.8	Very high	97.7	Very high	36 Å²	36	64 Å²	64	30%	0.298	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.7	175	0	0	0	0	0	110.7	W277 E278	A261-W277 CarbonylContact O-C 3.47Å; A261-W277 VanDerWaalsContact O-CA 3.26Å; A261-W277 WeakPolarHBondContact O-CA 3.33Å; A261-W277 VanDerWaalsContact O-CB 3.23Å; A261-W277 WeakPolarHBondContact O-CB 3.46Å; A261-E278 PolarHBondContact N-O 2.96Å; A261-E278 PolarHBondContact O-N 3.41Å
262	P	97.9	Very high	97.7	Very high	18 Å²	18	63.7 Å²	63.7	12%	0.117	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	144.2	-179.8	23.9	-21.3	0	0	0	110.7	I179 V205 M228 V275 T276 W295	I179-P262 HydrophobicContact CD1-CB 4.08Å; I179-P262 HydrophobicContact CD1-CG 3.74Å; I179-P262 WeakPolarHBondContact CD1-O 3.28Å; V205-P262 HydrophobicContact CG1-CG 3.87Å; V205-P262 HydrophobicContact CG2-CG 4.29Å; M228-P262 HydrophobicContact SD-CB 4.09Å; M228-P262 VanDerWaalsContact SD-CD 3.52Å; M228-P262 HydrophobicContact SD-CG 3.97Å; P262-V275 HydrophobicContact CB-CG1 4.09Å; P262-T276 WeakPolarHBondContact CA-O 3.29Å; P262-W295 HydrophobicContact CB-CH2 4.25Å; P262-W295 HydrophobicContact CB-CZ3 4.41Å; P262-W295 HydrophobicContact CG-CH2 3.92Å; P262-W295 HydrophobicContact CG-CZ3 3.61Å
263	S	97.4	Very high	97.7	Very high	50 Å²	50	60.6 Å²	60.6	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-27.3	177.3	61	0	0	0	0	112.1	T276	S263-T276 PolarHBondContact N-O 3.35Å; S263-T276 WeakPolarHBondContact OG-CG2 3.33Å; S263-T276 PolarHBondContact OG-O 2.92Å
264	R	98	Very high	97.7	Very high	66 Å²	66	61 Å²	61	25%	0.249	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	148.2	-177.5	-172.8	167.7	63.3	-150.4	-10.1	113.2	E180 R266 V275 T276	E180-R264 HydrophobicContact CB-CG 4.24Å; E180-R264 WeakPolarHBondContact OE2-CD 3.37Å; R264-R266 HydrophobicContact CG-CG 4.13Å; R264-R266 VanDerWaalsContact CZ-CZ 3.48Å; R264-R266 VanDerWaalsContact NH1-NH2 3.19Å; R264-V275 WeakPolarHBondContact O-CA 3.5Å; R264-T276 PolarHBondContact N-O 3.02Å; R264-T276 PolarHBondContact O-N 3.44Å
265	V	98.6	Very high	97.7	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.5	168.7	-173.1	0	0	0	0	109.5	E180 Y185 L273 Q274 V275 V293 W295	E180-V265 PolarHBondContact O-N 3.14Å; Y185-V265 HydrophobicContact CD2-CG1 4.12Å; Y185-V265 HydrophobicContact CG-CG1 4.48Å; V265-L273 HydrophobicContact CG1-CB 4.29Å; V265-Q274 WeakPolarHBondContact CA-O 3.46Å; V265-V275 HydrophobicContact CG1-CG2 4.42Å; V265-V275 HydrophobicContact CG2-CG1 4.47Å; V265-V275 HydrophobicContact CG2-CG2 4.32Å; V265-V293 HydrophobicContact CG1-CG2 4.43Å; V265-W295 HydrophobicContact CG2-CH2 4.14Å; V265-W295 HydrophobicContact CG2-CZ2 3.87Å
266	R	98.1	Very high	97.7	Very high	107 Å²	107	54.5 Å²	54.5	40%	0.404	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.4	176.7	-72.5	-179.2	173.8	168.7	1.2	110.9	R264 L273 Q274	R264-R266 HydrophobicContact CG-CG 4.13Å; R264-R266 VanDerWaalsContact CZ-CZ 3.48Å; R264-R266 VanDerWaalsContact NH1-NH2 3.19Å; R266-L273 CarbonylContact O-C 3.59Å; R266-L273 WeakPolarHBondContact O-CA 3.48Å; R266-Q274 PolarHBondContact N-O 2.78Å; R266-Q274 PolarHBondContact O-N 2.91Å
267	R	98.1	Very high	97.7	Very high	164 Å²	164	53.1 Å²	53.1	62%	0.619	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.9	171.1	-166.3	174.4	-167.9	-160.2	-0.1	110.4	Y185 L273	Y185-R267 HydrophobicContact CD1-CB 4.22Å; Y185-R267 HydrophobicContact CE1-CB 3.88Å; Y185-R267 HydrophobicContact CE2-CB 4.3Å; R267-L273 HydrophobicContact CB-CD2 4.17Å; R267-L273 HydrophobicContact CG-CD2 4.16Å
268	L	98	Very high	97.6	Very high	48 Å²	48	56.8 Å²	56.8	25%	0.251	29%	0.289	S	S	.	.			trans	-84.1	162.8	176.8	-63.6	-177.2	0	0	0	111.4	D270 G271 Q272 Q274 T289	L268-D270 VanDerWaalsContact CB-OD1 3.27Å; L268-D270 WeakPolarHBondContact CB-OD1 3.37Å; L268-D270 PolarHBondContact O-N 2.91Å; L268-G271 PolarHBondContact O-N 2.88Å; L268-Q272 PolarHBondContact N-O 2.81Å; L268-Q274 HydrophobicContact CD1-CB 4.14Å; L268-Q274 HydrophobicContact CD2-CB 4.03Å; L268-Q274 HydrophobicContact CG-CB 4.02Å; L268-T289 HydrophobicContact CD1-CG2 3.78Å
269	P	97.4	Very high	97.5	Very high	144 Å²	144	52 Å²	52	94%	0.935	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.5	-179.8	-25.6	35.5	0	0	0	114.8	G271	P269-G271 PolarHBondContact O-N 2.8Å
270	D	95.1	Very high	97.3	Very high	109 Å²	109	55.3 Å²	55.3	58%	0.583	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.2	175.9	64.2	0.8	0	0	0	113.3	L268 Q272	L268-D270 VanDerWaalsContact CB-OD1 3.27Å; L268-D270 WeakPolarHBondContact CB-OD1 3.37Å; L268-D270 PolarHBondContact O-N 2.91Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.34Å; D270-Q272 PolarHBondContact OD1-N 2.96Å
271	G	95.1	Very high	96.8	Very high	30 Å²	30	60.4 Å²	60.4	31%	0.309	33%	0.325	S	S	.	.	S	Bend	trans	95.2	-10.9	179.1	0	0	0	0	0	115.1	L268 P269	L268-G271 PolarHBondContact O-N 2.88Å; P269-G271 PolarHBondContact O-N 2.8Å
272	Q	98.1	Very high	96.5	Very high	64 Å²	64	62.5 Å²	62.5	30%	0.299	33%	0.334	S	S	.	.			trans	-68.8	158.3	177.3	-66	-173.8	12.5	0	0	111.7	L268 D270 T289	L268-Q272 PolarHBondContact N-O 2.81Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.34Å; D270-Q272 PolarHBondContact OD1-N 2.96Å; Q272-T289 VanDerWaalsContact OE1-CB 3.3Å; Q272-T289 PolarHBondContact OE1-OG1 3.34Å
273	L	98.8	Very high	96.2	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.063	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.1	176.5	-55.6	-176.9	0	0	0	109.5	Y185 V265 R266 R267 T289 F290 V293	Y185-L273 HydrophobicContact CD1-CD2 4.44Å; Y185-L273 HydrophobicContact CG-CD2 4.12Å; V265-L273 HydrophobicContact CG1-CB 4.29Å; R266-L273 CarbonylContact O-C 3.59Å; R266-L273 WeakPolarHBondContact O-CA 3.48Å; R267-L273 HydrophobicContact CB-CD2 4.17Å; R267-L273 HydrophobicContact CG-CD2 4.16Å; L273-T289 CarbonylContact O-C 3.59Å; L273-T289 WeakPolarHBondContact O-CA 3.46Å; L273-F290 WeakPolarHBondContact CA-O 3.45Å; L273-F290 WeakPolarHBondContact CB-O 3.38Å; L273-F290 PolarHBondContact N-O 2.92Å; L273-F290 PolarHBondContact O-N 3.33Å; L273-V293 HydrophobicContact CB-CG2 4.26Å; L273-V293 HydrophobicContact CD1-CB 4.45Å; L273-V293 HydrophobicContact CD1-CG2 3.93Å
274	Q	98.7	Very high	96	Very high	57 Å²	57	68.8 Å²	68.8	27%	0.266	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.1	167.5	-175.6	176.9	75.4	0	0	109	V265 R266 L268 T287 T289	V265-Q274 WeakPolarHBondContact CA-O 3.46Å; R266-Q274 PolarHBondContact N-O 2.78Å; R266-Q274 PolarHBondContact O-N 2.91Å; L268-Q274 HydrophobicContact CD1-CB 4.14Å; L268-Q274 HydrophobicContact CD2-CB 4.03Å; L268-Q274 HydrophobicContact CG-CB 4.02Å; Q274-T287 WeakPolarHBondContact CG-OG1 3.44Å; Q274-T289 HydrophobicContact CB-CG2 4.44Å
275	V	98.8	Very high	96	Very high	0 Å²	0	72 Å²	72	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.2	173.5	-172.8	0	0	0	0	108.2	L203 P262 R264 V265 W277 T287 G288 F290 V293	L203-V275 HydrophobicContact CD2-CB 4.06Å; L203-V275 HydrophobicContact CD2-CG1 3.83Å; L203-V275 HydrophobicContact CD2-CG2 3.87Å; P262-V275 HydrophobicContact CB-CG1 4.09Å; R264-V275 WeakPolarHBondContact O-CA 3.5Å; V265-V275 HydrophobicContact CG1-CG2 4.42Å; V265-V275 HydrophobicContact CG2-CG1 4.47Å; V265-V275 HydrophobicContact CG2-CG2 4.32Å; V275-W277 HydrophobicContact CB-CE3 4.27Å; V275-W277 HydrophobicContact CB-CZ3 4.34Å; V275-W277 HydrophobicContact CG1-CE3 4.1Å; V275-W277 WeakPolarHBondContact O-CZ3 3.32Å; V275-T287 VanDerWaalsContact O-CA 3.24Å; V275-T287 WeakPolarHBondContact O-CA 3.4Å; V275-T287 PolarHBondContact O-OG1 2.95Å; V275-G288 PolarHBondContact N-O 2.76Å; V275-G288 PolarHBondContact O-N 2.76Å; V275-G288 VanDerWaalsContact O-N 3.07Å; V275-F290 HydrophobicContact CB-CD2 4.34Å; V275-F290 HydrophobicContact CB-CE2 4.36Å; V275-F290 HydrophobicContact CG2-CD2 3.89Å; V275-F290 HydrophobicContact CG2-CE2 4.35Å; V275-V293 HydrophobicContact CG2-CG2 3.49Å; V275-V293 VanDerWaalsContact CG2-CG2 3.49Å
276	T	98.6	Very high	95.9	Very high	4 Å²	4	76.4 Å²	76.4	3%	0.025	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.4	170.4	-54.3	0	0	0	0	107.9	P262 S263 R264 E285 D286	P262-T276 WeakPolarHBondContact CA-O 3.29Å; S263-T276 PolarHBondContact N-O 3.35Å; S263-T276 WeakPolarHBondContact OG-CG2 3.33Å; S263-T276 PolarHBondContact OG-O 2.92Å; R264-T276 PolarHBondContact N-O 3.02Å; R264-T276 PolarHBondContact O-N 3.44Å; T276-E285 HydrophobicContact CG2-CG 3.3Å; T276-E285 WeakPolarHBondContact CG2-OE1 3.45Å; T276-D286 WeakPolarHBondContact CA-O 3.4Å
277	W	98.3	Very high	95.9	Very high	12 Å²	12	74.3 Å²	74.3	5%	0.045	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.2	177.8	63.4	86.4	0	0	0	111.9	M228 L257 A261 V275 E285 D286 T287 G288 F290	M228-W277 HydrophobicContact CE-CB 3.58Å; M228-W277 HydrophobicContact CE-CD2 3.37Å; M228-W277 HydrophobicContact CE-CE3 3.53Å; M228-W277 HydrophobicContact CE-CG 3.39Å; M228-W277 HydrophobicContact CE-CZ3 4.33Å; M228-W277 HydrophobicContact SD-CB 4.01Å; M228-W277 HydrophobicContact SD-CG 4.35Å; L257-W277 HydrophobicContact CD1-CD2 4.32Å; L257-W277 HydrophobicContact CD1-CH2 4.05Å; L257-W277 HydrophobicContact CD1-CZ2 3.73Å; L257-W277 HydrophobicContact CD1-CZ3 4.46Å; L257-W277 HydrophobicContact CD2-CZ2 4.21Å; A261-W277 CarbonylContact O-C 3.47Å; A261-W277 VanDerWaalsContact O-CA 3.26Å; A261-W277 WeakPolarHBondContact O-CA 3.33Å; A261-W277 VanDerWaalsContact O-CB 3.23Å; A261-W277 WeakPolarHBondContact O-CB 3.46Å; V275-W277 HydrophobicContact CB-CE3 4.27Å; V275-W277 HydrophobicContact CB-CZ3 4.34Å; V275-W277 HydrophobicContact CG1-CE3 4.1Å; V275-W277 WeakPolarHBondContact O-CZ3 3.32Å; W277-E285 CarbonylContact O-C 3.6Å; W277-E285 WeakPolarHBondContact O-CA 3.33Å; W277-D286 HydrophobicContact CZ2-CB 4.03Å; W277-D286 PolarHBondContact N-O 2.98Å; W277-D286 PolarHBondContact O-N 3.48Å; W277-T287 VanDerWaalsContact CZ3-C 3.48Å; W277-G288 VanDerWaalsContact CH2-N 3.27Å; W277-F290 HydrophobicContact CZ3-CE2 4.17Å
278	E	97.1	Very high	95.9	Very high	115 Å²	115	67.3 Å²	67.3	54%	0.537	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.5	171.8	-173.1	-179.5	175.4	0	0	109.4	C260 A261	C260-E278 VanDerWaalsContact CA-O 3.3Å; C260-E278 WeakPolarHBondContact CA-O 3.23Å; A261-E278 PolarHBondContact N-O 2.96Å; A261-E278 PolarHBondContact O-N 3.41Å
279	D	95	Very high	95.9	Very high	32 Å²	32	67.1 Å²	67.1	17%	0.171	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.4	169.1	172.2	10.3	0	0	0	109.4	T281 T282 G283 K284	D279-T281 PolarHBondContact O-N 3.14Å; D279-T281 VanDerWaalsContact O-N 3.15Å; D279-T281 WeakPolarHBondContact OD1-CA 3.41Å; D279-T281 WeakPolarHBondContact OD1-CB 3.27Å; D279-T281 PolarHBondContact OD1-N 3.04Å; D279-T281 PolarHBondContact OD1-OG1 3.02Å; D279-T282 WeakPolarHBondContact CB-OG1 3.33Å; D279-T282 VanDerWaalsContact CG-OG1 3.29Å; D279-T282 PolarHBondContact O-N 3.33Å; D279-T282 VanDerWaalsContact OD2-CG2 3.27Å; D279-T282 WeakPolarHBondContact OD2-CG2 3.42Å; D279-T282 PolarHBondContact OD2-OG1 2.95Å; D279-G283 WeakPolarHBondContact O-CA 3.37Å; D279-G283 PolarHBondContact O-N 3.2Å; D279-K284 PolarHBondContact N-O 2.99Å
280	S	91.1	Very high	96	Very high	86 Å²	86	60.6 Å²	60.6	60%	0.601	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.4	179.6	65.5	0	0	0	0	114.1	G259	G259-S280 WeakPolarHBondContact O-CB 3.35Å; G259-S280 PolarHBondContact O-N 3.13Å; G259-S280 PolarHBondContact O-OG 3.09Å
281	T	87.8	Confident	96.2	Very high	114 Å²	114	59.1 Å²	59.1	70%	0.699	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-39.4	179.5	-37.8	0	0	0	0	111	D279	D279-T281 PolarHBondContact O-N 3.14Å; D279-T281 VanDerWaalsContact O-N 3.15Å; D279-T281 WeakPolarHBondContact OD1-CA 3.41Å; D279-T281 WeakPolarHBondContact OD1-CB 3.27Å; D279-T281 PolarHBondContact OD1-N 3.04Å; D279-T281 PolarHBondContact OD1-OG1 3.02Å
282	T	91.1	Very high	96.4	Very high	80 Å²	80	58.5 Å²	58.5	49%	0.491	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-15.4	-176.7	60	0	0	0	0	113.2	D279 K284	D279-T282 WeakPolarHBondContact CB-OG1 3.33Å; D279-T282 VanDerWaalsContact CG-OG1 3.29Å; D279-T282 PolarHBondContact O-N 3.33Å; D279-T282 VanDerWaalsContact OD2-CG2 3.27Å; D279-T282 WeakPolarHBondContact OD2-CG2 3.42Å; D279-T282 PolarHBondContact OD2-OG1 2.95Å; T282-K284 PolarHBondContact O-N 3.26Å; T282-K284 PolarHBondContact OG1-N 2.83Å
283	G	90.9	Very high	96.4	Very high	55 Å²	55	55.5 Å²	55.5	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	16.8	-172.1	0	0	0	0	0	113.3	D279	D279-G283 WeakPolarHBondContact O-CA 3.37Å; D279-G283 PolarHBondContact O-N 3.2Å
284	K	94.1	Very high	96.4	Very high	145 Å²	145	54.9 Å²	54.9	63%	0.63	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.1	-176.3	-67.3	-176	-179.6	179.5	0	111.2	D279 T282	D279-K284 PolarHBondContact N-O 2.99Å; T282-K284 PolarHBondContact O-N 3.26Å; T282-K284 PolarHBondContact OG1-N 2.83Å
285	E	96.8	Very high	96.4	Very high	134 Å²	134	52.3 Å²	52.3	63%	0.626	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.1	166.1	-171	174.2	106.2	0	0	109.4	T276 W277	T276-E285 HydrophobicContact CG2-CG 3.3Å; T276-E285 WeakPolarHBondContact CG2-OE1 3.45Å; W277-E285 CarbonylContact O-C 3.6Å; W277-E285 WeakPolarHBondContact O-CA 3.33Å
286	D	97.6	Very high	96.4	Very high	93 Å²	93	52.6 Å²	52.6	50%	0.497	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	167.7	172.7	-163.1	10	0	0	0	110.3	T276 W277	T276-D286 WeakPolarHBondContact CA-O 3.4Å; W277-D286 HydrophobicContact CZ2-CB 4.03Å; W277-D286 PolarHBondContact N-O 2.98Å; W277-D286 PolarHBondContact O-N 3.48Å
287	T	97.8	Very high	96.3	Very high	63 Å²	63	55.2 Å²	55.2	39%	0.387	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.8	-177.8	-165.9	0	0	0	0	113.3	Q274 V275 W277	Q274-T287 WeakPolarHBondContact CG-OG1 3.44Å; V275-T287 VanDerWaalsContact O-CA 3.24Å; V275-T287 WeakPolarHBondContact O-CA 3.4Å; V275-T287 PolarHBondContact O-OG1 2.95Å; W277-T287 VanDerWaalsContact CZ3-C 3.48Å
288	G	98.1	Very high	96.1	Very high	16 Å²	16	56.2 Å²	56.2	17%	0.165	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.4	177	0	0	0	0	0	111	V275 W277	V275-G288 PolarHBondContact N-O 2.76Å; V275-G288 PolarHBondContact O-N 2.76Å; V275-G288 VanDerWaalsContact O-N 3.07Å; W277-G288 VanDerWaalsContact CH2-N 3.27Å
289	T	98.6	Very high	95.9	Very high	44 Å²	44	52.8 Å²	52.8	27%	0.27	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.6	176	62.9	0	0	0	0	111.4	K201 L268 Q272 L273 Q274	K201-T289 WeakPolarHBondContact CD-O 3.38Å; K201-T289 WeakPolarHBondContact CE-O 3.42Å; K201-T289 PolarHBondContact NZ-O 3.2Å; L268-T289 HydrophobicContact CD1-CG2 3.78Å; Q272-T289 VanDerWaalsContact OE1-CB 3.3Å; Q272-T289 PolarHBondContact OE1-OG1 3.34Å; L273-T289 CarbonylContact O-C 3.59Å; L273-T289 WeakPolarHBondContact O-CA 3.46Å; Q274-T289 HydrophobicContact CB-CG2 4.44Å
290	F	98.8	Very high	95.8	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.9	-177.1	-59.3	-87.1	0	0	0	109.6	K201 L203 L273 V275 W277	K201-F290 HydrophobicContact CD-CD1 4.38Å; K201-F290 HydrophobicContact CG-CD1 3.99Å; L203-F290 HydrophobicContact CB-CB 4.46Å; L203-F290 HydrophobicContact CB-CD1 3.63Å; L203-F290 HydrophobicContact CB-CD2 3.94Å; L203-F290 HydrophobicContact CB-CE1 3.75Å; L203-F290 HydrophobicContact CB-CE2 4.04Å; L203-F290 HydrophobicContact CB-CG 3.74Å; L203-F290 HydrophobicContact CB-CZ 3.96Å; L203-F290 HydrophobicContact CD1-CE1 4.1Å; L203-F290 HydrophobicContact CD1-CE2 4.33Å; L203-F290 HydrophobicContact CD1-CZ 3.83Å; L203-F290 HydrophobicContact CD2-CD2 4.28Å; L203-F290 HydrophobicContact CD2-CE2 3.96Å; L203-F290 HydrophobicContact CD2-CZ 4.31Å; L203-F290 HydrophobicContact CG-CE1 4.44Å; L203-F290 HydrophobicContact CG-CE2 4.34Å; L203-F290 HydrophobicContact CG-CZ 4.25Å; L273-F290 WeakPolarHBondContact CA-O 3.45Å; L273-F290 WeakPolarHBondContact CB-O 3.38Å; L273-F290 PolarHBondContact N-O 2.92Å; L273-F290 PolarHBondContact O-N 3.33Å; V275-F290 HydrophobicContact CB-CD2 4.34Å; V275-F290 HydrophobicContact CB-CE2 4.36Å; V275-F290 HydrophobicContact CG2-CD2 3.89Å; V275-F290 HydrophobicContact CG2-CE2 4.35Å; W277-F290 HydrophobicContact CZ3-CE2 4.17Å
291	D	98.8	Very high	96	Very high	78 Å²	78	49.3 Å²	49.3	42%	0.417	29%	0.287	S	S	.	.	S	Bend	trans	-81.1	-33.3	170.1	-61.1	-48.8	0	0	0	110.6	P199 K201	P199-D291 WeakPolarHBondContact O-CB 3.16Å; K201-D291 PolarHBondContact N-OD2 2.69Å; K201-D291 PolarHBondContact O-N 2.83Å
292	T	98.9	Very high	96.3	Very high	18 Å²	18	45 Å²	45	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.9	-177.5	-61.1	0	0	0	0	112.2	I187 P199 K201 T202 L203	I187-T292 HydrophobicContact CD1-CG2 3.39Å; I187-T292 HydrophobicContact CG1-CG2 3.69Å; P199-T292 VanDerWaalsContact CA-OG1 3.32Å; P199-T292 WeakPolarHBondContact CA-OG1 3.16Å; P199-T292 HydrophobicContact CB-CG2 4.08Å; P199-T292 WeakPolarHBondContact CB-OG1 3.24Å; P199-T292 VanDerWaalsContact O-CB 3.29Å; P199-T292 WeakPolarHBondContact O-CB 3.08Å; P199-T292 PolarHBondContact O-OG1 3.45Å; K201-T292 PolarHBondContact O-N 2.65Å; T202-T292 WeakPolarHBondContact CA-O 3.48Å; T202-T292 HydrophobicContact CG2-CG2 4.19Å; L203-T292 PolarHBondContact N-O 3.28Å
293	V	98.9	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.3	169.7	-177.5	0	0	0	0	109.5	G186 I187 L203 V205 V265 L273 V275 W295	G186-V293 WeakPolarHBondContact CA-O 3.42Å; I187-V293 WeakPolarHBondContact CG1-O 3.46Å; I187-V293 PolarHBondContact N-O 3.19Å; L203-V293 HydrophobicContact CB-CG2 4.45Å; L203-V293 HydrophobicContact CD2-CG1 4.47Å; L203-V293 CarbonylContact O-C 3.38Å; L203-V293 WeakPolarHBondContact O-CA 3.46Å; V205-V293 HydrophobicContact CG2-CG1 4.24Å; V265-V293 HydrophobicContact CG1-CG2 4.43Å; L273-V293 HydrophobicContact CB-CG2 4.26Å; L273-V293 HydrophobicContact CD1-CB 4.45Å; L273-V293 HydrophobicContact CD1-CG2 3.93Å; V275-V293 HydrophobicContact CG2-CG2 3.49Å; V275-V293 VanDerWaalsContact CG2-CG2 3.49Å; V293-W295 HydrophobicContact CG1-CD2 4.45Å; V293-W295 HydrophobicContact CG1-CH2 4.07Å; V293-W295 HydrophobicContact CG1-CZ2 3.81Å
294	L	98.9	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.3	179.9	176.1	67.4	0	0	0	111	I187 T188 I192 T202 L203 V204 V205 C214 A296	I187-L294 HydrophobicContact CD1-CD1 4.26Å; I187-L294 HydrophobicContact CG1-CB 4.3Å; I187-L294 HydrophobicContact CG1-CD1 3.95Å; T188-L294 WeakPolarHBondContact O-CD1 3.43Å; I192-L294 HydrophobicContact CD1-CD2 3.87Å; T202-L294 HydrophobicContact CG2-CB 4.49Å; L203-L294 PolarHBondContact O-N 3.14Å; V204-L294 HydrophobicContact CG1-CD2 3.99Å; V204-L294 HydrophobicContact CG1-CG 4.42Å; V204-L294 HydrophobicContact CG2-CB 4.3Å; V204-L294 HydrophobicContact CG2-CD2 3.99Å; V205-L294 PolarHBondContact N-O 3.05Å; C214-L294 HydrophobicContact CB-CD2 3.63Å; L294-A296 PolarHBondContact O-N 2.95Å
295	W	98.7	Very high	96.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.5	173.4	-55.5	114.4	0	0	0	111.2	Y175 P176 I179 A182 I187 T188 V205 P262 V265 V293	Y175-W295 AromaticContact CD1-CD1 3.58Å; Y175-W295 HydrophobicContact CD1-CG 4.42Å; Y175-W295 AromaticContact CD1-NE1 3.93Å; Y175-W295 AromaticContact CE1-CD1 3.47Å; Y175-W295 VanDerWaalsContact CE1-CD1 3.47Å; Y175-W295 AromaticContact CE1-NE1 3.92Å; P176-W295 HydrophobicContact CG-CD2 3.9Å; P176-W295 HydrophobicContact CG-CE3 3.74Å; P176-W295 HydrophobicContact CG-CH2 4.03Å; P176-W295 HydrophobicContact CG-CZ2 4.15Å; P176-W295 HydrophobicContact CG-CZ3 3.79Å; I179-W295 HydrophobicContact CD1-CH2 4.29Å; I179-W295 HydrophobicContact CD1-CZ3 4.42Å; I179-W295 HydrophobicContact CG2-CH2 4.48Å; A182-W295 HydrophobicContact CB-CH2 4.32Å; A182-W295 HydrophobicContact CB-CZ2 3.54Å; A182-W295 PolarHBondContact O-NE1 3.4Å; I187-W295 PolarHBondContact O-N 3.31Å; T188-W295 HydrophobicContact CG2-CB 4.36Å; V205-W295 HydrophobicContact CB-CE3 3.65Å; V205-W295 HydrophobicContact CB-CZ3 3.74Å; V205-W295 HydrophobicContact CG1-CE3 3.99Å; V205-W295 HydrophobicContact CG1-CZ3 3.82Å; V205-W295 HydrophobicContact CG2-CE3 3.89Å; V205-W295 HydrophobicContact CG2-CH2 4.33Å; V205-W295 HydrophobicContact CG2-CZ3 3.59Å; P262-W295 HydrophobicContact CB-CH2 4.25Å; P262-W295 HydrophobicContact CB-CZ3 4.41Å; P262-W295 HydrophobicContact CG-CH2 3.92Å; P262-W295 HydrophobicContact CG-CZ3 3.61Å; V265-W295 HydrophobicContact CG2-CH2 4.14Å; V265-W295 HydrophobicContact CG2-CZ2 3.87Å; V293-W295 HydrophobicContact CG1-CD2 4.45Å; V293-W295 HydrophobicContact CG1-CH2 4.07Å; V293-W295 HydrophobicContact CG1-CZ2 3.81Å
296	A	98.2	Very high	96.2	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	19%	0.193	C	C	.	.			trans	-119.9	42.8	176.6	0	0	0	0	0	111.4	V204 V205 S208 V210 A211 L294 G298	V204-A296 HydrophobicContact CG1-CB 4.32Å; V205-A296 CarbonylContact O-C 3.56Å; V205-A296 WeakPolarHBondContact O-CA 3.48Å; V205-A296 PolarHBondContact O-N 3.33Å; S208-A296 PolarHBondContact OG-O 3.4Å; V210-A296 HydrophobicContact CG1-CB 4.28Å; A211-A296 HydrophobicContact CB-CB 3.65Å; L294-A296 PolarHBondContact O-N 2.95Å; A296-G298 VanDerWaalsContact C-N 3.33Å; A296-G298 PolarHBondContact O-N 3.05Å
297	I	96.9	Very high	96.2	Very high	59 Å²	59	33.1 Å²	33.1	30%	0.303	18%	0.18	S	C	.	.	S	Bend	trans	-93	24.6	-172	61.6	169.9	0	0	0	114.1	R174 P176 V205	R174-I297 HydrophobicContact CB-CG1 4.26Å; R174-I297 HydrophobicContact CG-CD1 4.36Å; R174-I297 HydrophobicContact CG-CG1 4.47Å; R174-I297 WeakPolarHBondContact O-CG1 3.46Å; P176-I297 HydrophobicContact CB-CD1 3.88Å; P176-I297 HydrophobicContact CG-CD1 4.05Å; V205-I297 HydrophobicContact CB-CG2 4.48Å; V205-I297 HydrophobicContact CG1-CG2 3.96Å; V205-I297 WeakPolarHBondContact O-CG2 3.42Å
298	G	93.9	Very high	96.2	Very high	33 Å²	33	30.6 Å²	30.6	34%	0.34	16%	0.164	S	C	.	.			trans	104	-178.2	-178.9	0	0	0	0	0	113.7	R174 A296	R174-G298 WeakPolarHBondContact CB-O 3.3Å; R174-G298 PolarHBondContact N-O 3.39Å; A296-G298 VanDerWaalsContact C-N 3.33Å; A296-G298 PolarHBondContact O-N 3.05Å
299	R	93.6	Very high	96.1	Very high	42 Å²	42	36.2 Å²	36.2	16%	0.158	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	160.9	-174.2	-65.9	167.5	62.1	71.6	-1.7	110.3	G171 R172 D340	G171-R299 VanDerWaalsContact C-NH2 3.26Å; G171-R299 PolarHBondContact O-NH2 2.54Å; R172-R299 CarbonylContact O-C 3.57Å; R172-R299 WeakPolarHBondContact O-CA 3.1Å; R299-D340 IonicContact NH2-OD2 2.75Å
300	V	93	Very high	96.1	Very high	34 Å²	34	39.6 Å²	39.6	21%	0.206	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.3	176.5	-178	0	0	0	0	107.6	G171 R172 R174	G171-V300 CarbonylContact C-O 3.57Å; G171-V300 WeakPolarHBondContact CA-O 3.41Å; R172-V300 PolarHBondContact N-O 3.48Å; R172-V300 PolarHBondContact O-N 3.36Å; R174-V300 HydrophobicContact CB-CG2 4.01Å; R174-V300 HydrophobicContact CG-CG2 4.11Å
301	P	94.9	Very high	96	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.071	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	142	177	28.2	-37.4	0	0	0	111.3	G170 T303 T319 Q320 K321 V341	G170-P301 WeakPolarHBondContact O-CA 3.43Å; P301-T303 VanDerWaalsContact C-N 3.28Å; P301-T303 HydrophobicContact CB-CG2 4.21Å; P301-T303 PolarHBondContact O-N 3.31Å; P301-T319 WeakPolarHBondContact CD-O 3.45Å; P301-T319 VanDerWaalsContact CG-O 3.27Å; P301-T319 WeakPolarHBondContact CG-O 3.21Å; P301-Q320 HydrophobicContact CG-CB 4.11Å; P301-Q320 WeakPolarHBondContact CG-O 3.44Å; P301-K321 HydrophobicContact CB-CG 4.01Å; P301-K321 HydrophobicContact CG-CB 4.46Å; P301-K321 HydrophobicContact CG-CG 3.71Å; P301-V341 HydrophobicContact CB-CG2 4.29Å
302	D	93.3	Very high	96	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.134	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	67.9	-179.4	-160.6	-0.9	0	0	0	110.4	T169 G170	T169-D302 WeakPolarHBondContact CB-O 3.22Å; T169-D302 PolarHBondContact OG1-O 3.32Å; G170-D302 PolarHBondContact O-N 3.11Å
303	T	94.8	Very high	96	Very high	10 Å²	10	37.2 Å²	37.2	6%	0.061	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-29.1	-178	50.9	0	0	0	0	113.5	P301 S305 L306 L308 Q320 I322 V341	P301-T303 VanDerWaalsContact C-N 3.28Å; P301-T303 HydrophobicContact CB-CG2 4.21Å; P301-T303 PolarHBondContact O-N 3.31Å; T303-S305 VanDerWaalsContact C-N 3.27Å; T303-S305 PolarHBondContact O-N 3.24Å; T303-S305 VanDerWaalsContact O-N 3.11Å; T303-L306 VanDerWaalsContact O-CB 3.27Å; T303-L306 WeakPolarHBondContact O-CB 3.13Å; T303-L306 PolarHBondContact O-N 2.76Å; T303-L308 HydrophobicContact CG2-CD1 3.99Å; T303-Q320 WeakPolarHBondContact CG2-O 3.49Å; T303-Q320 PolarHBondContact OG1-O 3.24Å; T303-I322 HydrophobicContact CG2-CD1 4.22Å; T303-I322 HydrophobicContact CG2-CG1 4Å; T303-V341 HydrophobicContact CG2-CG2 3.43Å; T303-V341 VanDerWaalsContact CG2-CG2 3.43Å
304	R	90.7	Very high	96	Very high	182 Å²	182	41.6 Å²	41.6	69%	0.687	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.8	-170.7	-65.7	-176.7	-175	-177.4	-1.4	114.9	L306 Q320	R304-L306 VanDerWaalsContact C-N 3.34Å; R304-Q320 VanDerWaalsContact CZ-OE1 3.3Å
305	S	90.2	Very high	95.9	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	5.3	-179.4	67.7	0	0	0	0	114.2	K139 S141 T303	K139-S305 WeakPolarHBondContact CE-OG 3.35Å; S141-S305 WeakPolarHBondContact CB-O 3.04Å; T303-S305 VanDerWaalsContact C-N 3.27Å; T303-S305 PolarHBondContact O-N 3.24Å; T303-S305 VanDerWaalsContact O-N 3.11Å
306	L	95	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-86.2	-16.1	-177.3	-67.3	-179.4	0	0	0	113.4	A3 V45 S141 F142 I167 T169 T303 R304 L308	A3-L306 HydrophobicContact CB-CD2 3.28Å; V45-L306 HydrophobicContact CG1-CD2 4.01Å; S141-L306 CarbonylContact C-O 3.54Å; S141-L306 WeakPolarHBondContact CA-O 3.38Å; F142-L306 HydrophobicContact CD2-CB 4.36Å; F142-L306 WeakPolarHBondContact CD2-O 3.4Å; F142-L306 PolarHBondContact N-O 2.83Å; I167-L306 HydrophobicContact CG2-CD1 3.81Å; T169-L306 HydrophobicContact CG2-CD1 3.97Å; T169-L306 HydrophobicContact CG2-CD2 4.12Å; T303-L306 VanDerWaalsContact O-CB 3.27Å; T303-L306 WeakPolarHBondContact O-CB 3.13Å; T303-L306 PolarHBondContact O-N 2.76Å; R304-L306 VanDerWaalsContact C-N 3.34Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 HydrophobicContact CB-CD2 3.83Å; L306-L308 HydrophobicContact CB-CG 3.91Å; L306-L308 HydrophobicContact CD1-CD2 3.97Å; L306-L308 HydrophobicContact CD1-CG 4.42Å
307	N	97.4	Very high	95.6	Very high	44 Å²	44	50 Å²	50	24%	0.235	27%	0.272	C	S	.	.			trans	54.4	47	-171.1	-50.9	-22	0	0	0	112.5	F142 E309 K310	F142-N307 PolarHBondContact O-ND2 3.18Å; N307-E309 VanDerWaalsContact CA-OE1 3.29Å; N307-E309 WeakPolarHBondContact CA-OE1 3.38Å; N307-E309 WeakPolarHBondContact CA-OE2 3.24Å; N307-E309 WeakPolarHBondContact CB-OE1 3.5Å; N307-E309 PolarHBondContact O-N 2.06Å; N307-E309 VanDerWaalsContact O-N 3.14Å; N307-K310 HydrophobicContact CB-CD 3.99Å; N307-K310 HydrophobicContact CB-CG 4.19Å; N307-K310 WeakPolarHBondContact O-CB 3.33Å; N307-K310 PolarHBondContact O-N 3.36Å
308	L	97.6	Very high	95.5	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-28.6	-176.1	-67.6	178.9	0	0	0	112.7	F142 I167 T303 L306 K310 A311 G312 V313 T315 I322	F142-L308 HydrophobicContact CD2-CD2 3.92Å; F142-L308 HydrophobicContact CE2-CD2 3.72Å; I167-L308 HydrophobicContact CD1-CD2 3.76Å; T303-L308 HydrophobicContact CG2-CD1 3.99Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 HydrophobicContact CB-CD2 3.83Å; L306-L308 HydrophobicContact CB-CG 3.91Å; L306-L308 HydrophobicContact CD1-CD2 3.97Å; L306-L308 HydrophobicContact CD1-CG 4.42Å; L308-K310 PolarHBondContact O-N 3.08Å; L308-A311 CarbonylContact O-C 3.26Å; L308-A311 PolarHBondContact O-N 2.65Å; L308-G312 PolarHBondContact O-N 3.14Å; L308-V313 HydrophobicContact CB-CB 4.16Å; L308-V313 HydrophobicContact CD1-CG1 4.41Å; L308-V313 HydrophobicContact CD2-CB 4.19Å; L308-V313 HydrophobicContact CD2-CG1 4.24Å; L308-V313 PolarHBondContact O-N 3.29Å; L308-V313 VanDerWaalsContact O-N 3.12Å; L308-T315 HydrophobicContact CD1-CG2 3.48Å; L308-T315 VanDerWaalsContact CD1-CG2 3.48Å; L308-I322 HydrophobicContact CD1-CD1 4.04Å; L308-I322 HydrophobicContact CD1-CG1 3.91Å
309	E	97.3	Very high	95.5	Very high	135 Å²	135	55.2 Å²	55.2	63%	0.631	29%	0.294	S	S	*	.	H	α-helix	trans	-59	-32.2	174.8	70.8	-70.3	165.6	0	0	113	N307 A311 G312	N307-E309 VanDerWaalsContact CA-OE1 3.29Å; N307-E309 WeakPolarHBondContact CA-OE1 3.38Å; N307-E309 WeakPolarHBondContact CA-OE2 3.24Å; N307-E309 WeakPolarHBondContact CB-OE1 3.5Å; N307-E309 PolarHBondContact O-N 2.06Å; N307-E309 VanDerWaalsContact O-N 3.14Å; E309-A311 VanDerWaalsContact C-N 3.29Å; E309-A311 PolarHBondContact O-N 2.81Å; E309-G312 PolarHBondContact O-N 3.06Å
310	K	97.9	Very high	95.7	Very high	115 Å²	115	56.2 Å²	56.2	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-74	-23.4	176.7	-65.3	-174.8	-179.4	178.3	0	112.9	D144 N307 L308	D144-K310 WeakPolarHBondContact CA-O 3.39Å; N307-K310 HydrophobicContact CB-CD 3.99Å; N307-K310 HydrophobicContact CB-CG 4.19Å; N307-K310 WeakPolarHBondContact O-CB 3.33Å; N307-K310 PolarHBondContact O-N 3.36Å; L308-K310 PolarHBondContact O-N 3.08Å
311	A	97.9	Very high	95.9	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-91.9	-11.3	175.4	0	0	0	0	0	112.6	F142 L308 E309 V313 V332 I335	F142-A311 HydrophobicContact CB-CB 3.98Å; F142-A311 HydrophobicContact CD1-CB 3.65Å; F142-A311 HydrophobicContact CD2-CB 4.25Å; F142-A311 HydrophobicContact CE1-CB 4.12Å; F142-A311 HydrophobicContact CG-CB 3.71Å; L308-A311 CarbonylContact O-C 3.26Å; L308-A311 PolarHBondContact O-N 2.65Å; E309-A311 VanDerWaalsContact C-N 3.29Å; E309-A311 PolarHBondContact O-N 2.81Å; A311-V313 HydrophobicContact CB-CG2 4.04Å; A311-V332 WeakPolarHBondContact O-CG2 3.28Å; A311-I335 HydrophobicContact CB-CD1 3.96Å
312	G	98.1	Very high	96.1	Very high	41 Å²	41	55.3 Å²	55.3	42%	0.423	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	19.7	-174.1	0	0	0	0	0	114.3	L308 E309 S331 V332	L308-G312 PolarHBondContact O-N 3.14Å; E309-G312 PolarHBondContact O-N 3.06Å; G312-S331 PolarHBondContact O-OG 3Å; G312-V332 VanDerWaalsContact O-CG2 3.3Å; G312-V332 WeakPolarHBondContact O-CG2 3.22Å
313	V	98.6	Very high	96.3	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	31%	0.305	C	S	.	.			trans	-86.8	120.3	-178.1	174.6	0	0	0	0	110.8	I167 L308 A311 I322 T330 S331 V332 I335	I167-V313 HydrophobicContact CD1-CG1 4.47Å; L308-V313 HydrophobicContact CB-CB 4.16Å; L308-V313 HydrophobicContact CD1-CG1 4.41Å; L308-V313 HydrophobicContact CD2-CB 4.19Å; L308-V313 HydrophobicContact CD2-CG1 4.24Å; L308-V313 PolarHBondContact O-N 3.29Å; L308-V313 VanDerWaalsContact O-N 3.12Å; A311-V313 HydrophobicContact CB-CG2 4.04Å; V313-I322 HydrophobicContact CG1-CG1 4.42Å; V313-I322 HydrophobicContact CG1-CG2 3.77Å; V313-T330 HydrophobicContact CG1-CG2 4.05Å; V313-S331 WeakPolarHBondContact CA-OG 3.34Å; V313-V332 HydrophobicContact CG2-CB 4.49Å; V313-V332 HydrophobicContact CG2-CG2 3.96Å; V313-I335 HydrophobicContact CG2-CB 4.34Å; V313-I335 HydrophobicContact CG2-CD1 3.8Å; V313-I335 HydrophobicContact CG2-CG2 3.99Å
314	D	98.4	Very high	96.5	Very high	93 Å²	93	58.8 Å²	58.8	50%	0.497	31%	0.312	S	S	.	.			trans	-75.8	142.2	-178.7	-68.9	-25.4	0	0	0	112.5	L323 S331	D314-L323 HydrophobicContact CB-CD1 4.33Å; D314-L323 PolarHBondContact O-N 3.05Å; D314-S331 PolarHBondContact N-OG 2.96Å; D314-S331 VanDerWaalsContact OD2-CB 3.29Å; D314-S331 WeakPolarHBondContact OD2-CB 3.3Å
315	T	98.1	Very high	96.8	Very high	57 Å²	57	53.7 Å²	53.7	35%	0.35	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-127.7	149.2	174.6	54.8	0	0	0	0	110.8	L308 K321 I322	L308-T315 HydrophobicContact CD1-CG2 3.48Å; L308-T315 VanDerWaalsContact CD1-CG2 3.48Å; T315-K321 CarbonylContact C-O 3.54Å; T315-K321 WeakPolarHBondContact CA-O 3.31Å; T315-K321 WeakPolarHBondContact CB-O 3.18Å; T315-I322 HydrophobicContact CG2-CG1 4.14Å
316	S	97.3	Very high	97.2	Very high	12 Å²	12	55.9 Å²	55.9	8%	0.084	31%	0.313	C	S	.	.			trans	-62.5	128.1	171	169.2	0	0	0	0	109.7	D318 T319 Q320 K321	S316-D318 PolarHBondContact O-N 3.28Å; S316-D318 PolarHBondContact OG-N 3.32Å; S316-T319 VanDerWaalsContact CB-OG1 3.23Å; S316-T319 WeakPolarHBondContact CB-OG1 3.33Å; S316-T319 PolarHBondContact OG-N 2.98Å; S316-T319 PolarHBondContact OG-OG1 3.01Å; S316-Q320 WeakPolarHBondContact O-CA 3.12Å; S316-Q320 PolarHBondContact O-N 2.95Å; S316-K321 PolarHBondContact N-O 3.21Å
317	P	93.7	Very high	97.3	Very high	117 Å²	117	62 Å²	62	76%	0.76	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.4	178.9	26.3	-33.8	0	0	0	112.5
318	D	94	Very high	97.3	Very high	151 Å²	151	60 Å²	60	81%	0.807	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-40.3	-174.6	-62.2	-36.8	0	0	0	112.6	S316	S316-D318 PolarHBondContact O-N 3.28Å; S316-D318 PolarHBondContact OG-N 3.32Å
319	T	94.6	Very high	97.4	Very high	49 Å²	49	60.1 Å²	60.1	30%	0.301	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-18.3	-172.4	68.2	0	0	0	0	113.2	P301 S316 K321 E343	P301-T319 WeakPolarHBondContact CD-O 3.45Å; P301-T319 VanDerWaalsContact CG-O 3.27Å; P301-T319 WeakPolarHBondContact CG-O 3.21Å; S316-T319 VanDerWaalsContact CB-OG1 3.23Å; S316-T319 WeakPolarHBondContact CB-OG1 3.33Å; S316-T319 PolarHBondContact OG-N 2.98Å; S316-T319 PolarHBondContact OG-OG1 3.01Å; T319-K321 PolarHBondContact O-N 2.9Å; T319-K321 WeakPolarHBondContact OG1-CB 3.31Å; T319-K321 PolarHBondContact OG1-N 2.98Å; T319-E343 WeakPolarHBondContact CB-OE2 3Å; T319-E343 WeakPolarHBondContact CG2-OE2 3.43Å; T319-E343 PolarHBondContact OG1-OE2 2.95Å
320	Q	96	Very high	97.4	Very high	64 Å²	64	54.4 Å²	54.4	30%	0.299	30%	0.303	S	S	.	.			trans	62	13.7	-170.5	-53	-179.5	-15.2	0	0	114.3	P301 T303 R304 S316	P301-Q320 HydrophobicContact CG-CB 4.11Å; P301-Q320 WeakPolarHBondContact CG-O 3.44Å; T303-Q320 WeakPolarHBondContact CG2-O 3.49Å; T303-Q320 PolarHBondContact OG1-O 3.24Å; R304-Q320 VanDerWaalsContact CZ-OE1 3.3Å; S316-Q320 WeakPolarHBondContact O-CA 3.12Å; S316-Q320 PolarHBondContact O-N 2.95Å
321	K	98.1	Very high	97.5	Very high	26 Å²	26	51.5 Å²	51.5	11%	0.113	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-78.4	155.6	173.7	-66.4	-174.9	163.5	-161.7	0	110.5	P301 T315 S316 T319 D340 V341 V342 E343 E347	P301-K321 HydrophobicContact CB-CG 4.01Å; P301-K321 HydrophobicContact CG-CB 4.46Å; P301-K321 HydrophobicContact CG-CG 3.71Å; T315-K321 CarbonylContact C-O 3.54Å; T315-K321 WeakPolarHBondContact CA-O 3.31Å; T315-K321 WeakPolarHBondContact CB-O 3.18Å; S316-K321 PolarHBondContact N-O 3.21Å; T319-K321 PolarHBondContact O-N 2.9Å; T319-K321 WeakPolarHBondContact OG1-CB 3.31Å; T319-K321 PolarHBondContact OG1-N 2.98Å; K321-D340 WeakPolarHBondContact CE-O 3.46Å; K321-V341 CarbonylContact C-O 3.38Å; K321-V341 WeakPolarHBondContact CA-O 3.31Å; K321-V341 WeakPolarHBondContact CB-O 3.47Å; K321-V342 WeakPolarHBondContact CD-O 3.41Å; K321-E343 HydrophobicContact CB-CB 4.01Å; K321-E343 VanDerWaalsContact CB-OE2 3.29Å; K321-E343 WeakPolarHBondContact CB-OE2 3.43Å; K321-E343 WeakPolarHBondContact CD-OE2 3.26Å; K321-E347 WeakPolarHBondContact CE-OE1 3.48Å; K321-E347 IonicContact NZ-OE1 2.7Å; K321-E347 PolarHBondContact NZ-OE1 3.03Å
322	I	98.6	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-78.1	133.3	178.8	-62	171.8	0	0	0	109.2	I167 T303 L308 V313 T315 V324 T330 A337 V341 E343	I167-I322 HydrophobicContact CB-CD1 4.01Å; I167-I322 HydrophobicContact CD1-CD1 3.74Å; I167-I322 HydrophobicContact CG1-CD1 4.49Å; I167-I322 HydrophobicContact CG2-CD1 3.64Å; T303-I322 HydrophobicContact CG2-CD1 4.22Å; T303-I322 HydrophobicContact CG2-CG1 4Å; L308-I322 HydrophobicContact CD1-CD1 4.04Å; L308-I322 HydrophobicContact CD1-CG1 3.91Å; V313-I322 HydrophobicContact CG1-CG1 4.42Å; V313-I322 HydrophobicContact CG1-CG2 3.77Å; T315-I322 HydrophobicContact CG2-CG1 4.14Å; I322-V324 HydrophobicContact CG2-CG1 4.14Å; I322-T330 HydrophobicContact CG2-CG2 3.62Å; I322-A337 HydrophobicContact CB-CB 4.03Å; I322-A337 HydrophobicContact CD1-CB 3.94Å; I322-A337 HydrophobicContact CG2-CB 3.72Å; I322-V341 HydrophobicContact CD1-CG1 4.31Å; I322-V341 HydrophobicContact CD1-CG2 3.77Å; I322-V341 HydrophobicContact CG1-CG2 4.11Å; I322-V341 PolarHBondContact N-O 3.23Å; I322-E343 PolarHBondContact O-N 3.15Å
323	L	98.5	Very high	97.5	Very high	73 Å²	73	54.7 Å²	54.7	38%	0.382	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-82	132.4	174.3	-57.9	179.7	0	0	0	109.1	D314 E343	D314-L323 HydrophobicContact CB-CD1 4.33Å; D314-L323 PolarHBondContact O-N 3.05Å; L323-E343 HydrophobicContact CD2-CB 3.94Å; L323-E343 HydrophobicContact CD2-CG 4.06Å
324	V	98.5	Very high	97.4	Very high	35 Å²	35	55.8 Å²	55.8	21%	0.212	31%	0.314	C	S	.	.			trans	-138.5	158.9	177.6	-55.7	0	0	0	0	111.8	I322 A329 T330 A337 V342	I322-V324 HydrophobicContact CG2-CG1 4.14Å; V324-A329 CarbonylContact C-O 3.54Å; V324-A329 WeakPolarHBondContact CA-O 3.42Å; V324-A329 WeakPolarHBondContact CB-O 3.03Å; V324-T330 HydrophobicContact CG1-CG2 4.2Å; V324-A337 HydrophobicContact CG1-CB 3.85Å; V324-V342 HydrophobicContact CB-CG1 4.34Å; V324-V342 HydrophobicContact CG1-CG1 4.16Å; V324-V342 HydrophobicContact CG1-CG2 4.5Å; V324-V342 HydrophobicContact CG2-CG1 3.27Å
325	D	97.9	Very high	97.4	Very high	74 Å²	74	51.3 Å²	51.3	40%	0.396	29%	0.29	S	S	.	.			trans	-81.9	-172.3	169	74.3	4.3	0	0	0	112.9	R327 E328 A329 R345	D325-R327 PolarHBondContact O-N 3.35Å; D325-R327 VanDerWaalsContact OD1-C 3.31Å; D325-R327 VanDerWaalsContact OD1-CA 3.29Å; D325-R327 WeakPolarHBondContact OD1-CA 3.34Å; D325-R327 WeakPolarHBondContact OD1-CB 3.46Å; D325-R327 PolarHBondContact OD1-N 3.05Å; D325-E328 PolarHBondContact O-N 3.38Å; D325-E328 PolarHBondContact OD1-N 3Å; D325-E328 VanDerWaalsContact OD1-N 3.13Å; D325-A329 PolarHBondContact N-O 3.11Å; D325-A329 PolarHBondContact OD1-N 3.08Å; D325-R345 PolarHBondContact O-NH2 3.39Å
326	S	96.9	Very high	97.4	Very high	67 Å²	67	49.9 Å²	49.9	47%	0.469	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.2	177.2	60	0	0	0	0	114.7
327	R	97.6	Very high	97.5	Very high	129 Å²	129	49.3 Å²	49.3	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	11.7	176.8	-45.8	-173.6	82.9	176.9	3.7	111.3	D325 A329 R362 L370	D325-R327 PolarHBondContact O-N 3.35Å; D325-R327 VanDerWaalsContact OD1-C 3.31Å; D325-R327 VanDerWaalsContact OD1-CA 3.29Å; D325-R327 WeakPolarHBondContact OD1-CA 3.34Å; D325-R327 WeakPolarHBondContact OD1-CB 3.46Å; D325-R327 PolarHBondContact OD1-N 3.05Å; R327-A329 PolarHBondContact O-N 3.32Å; R327-R362 PolarHBondContact O-NH2 3.02Å; R327-L370 HydrophobicContact CB-CD2 4.41Å; R327-L370 HydrophobicContact CG-CD2 3.86Å
328	E	98.4	Very high	97.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	64.6	15.2	-177.6	-67.5	68.4	-123.9	0	0	114	D325 Y336 A337 I338 L359 R362 Y373	D325-E328 PolarHBondContact O-N 3.38Å; D325-E328 PolarHBondContact OD1-N 3Å; D325-E328 VanDerWaalsContact OD1-N 3.13Å; E328-Y336 CarbonylContact O-C 3.28Å; E328-Y336 WeakPolarHBondContact O-CA 3.42Å; E328-Y336 VanDerWaalsContact O-CB 3.31Å; E328-Y336 WeakPolarHBondContact O-CB 3.12Å; E328-A337 PolarHBondContact O-N 3.07Å; E328-I338 HydrophobicContact CB-CG2 4.05Å; E328-I338 HydrophobicContact CG-CG2 3.96Å; E328-L359 HydrophobicContact CB-CD2 4.45Å; E328-R362 IonicContact OE2-CZ 3.76Å; E328-R362 IonicContact OE2-NH1 3.44Å; E328-R362 IonicContact OE2-NH2 3.75Å; E328-R362 PolarHBondContact OE2-NH2 3.43Å; E328-Y373 PolarHBondContact OE1-OH 3.28Å
329	A	98.5	Very high	97.8	Very high	13 Å²	13	37.2 Å²	37.2	11%	0.107	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-79.9	138.7	176.1	0	0	0	0	0	110.8	V324 D325 R327 Y336	V324-A329 CarbonylContact C-O 3.54Å; V324-A329 WeakPolarHBondContact CA-O 3.42Å; V324-A329 WeakPolarHBondContact CB-O 3.03Å; D325-A329 PolarHBondContact N-O 3.11Å; D325-A329 PolarHBondContact OD1-N 3.08Å; R327-A329 PolarHBondContact O-N 3.32Å; A329-Y336 HydrophobicContact CB-CD1 3.92Å; A329-Y336 HydrophobicContact CB-CE1 3.86Å
330	T	98.7	Very high	97.9	Very high	15 Å²	15	36.2 Å²	36.2	9%	0.092	20%	0.199	C	C	.	.			trans	-81.1	-171.5	175.4	70.8	0	0	0	0	111.3	V313 I322 V324 V332 I335 A337	V313-T330 HydrophobicContact CG1-CG2 4.05Å; I322-T330 HydrophobicContact CG2-CG2 3.62Å; V324-T330 HydrophobicContact CG1-CG2 4.2Å; T330-V332 PolarHBondContact O-N 3.35Å; T330-V332 VanDerWaalsContact O-N 3.09Å; T330-V332 PolarHBondContact OG1-N 3.03Å; T330-V332 VanDerWaalsContact OG1-N 3.14Å; T330-V332 PolarHBondContact OG1-O 3.37Å; T330-I335 WeakPolarHBondContact CB-O 3.45Å; T330-I335 HydrophobicContact CG2-CG2 4.21Å; T330-I335 WeakPolarHBondContact CG2-O 3.39Å; T330-I335 PolarHBondContact N-O 2.92Å; T330-I335 PolarHBondContact OG1-O 3.14Å; T330-A337 HydrophobicContact CG2-CB 4.09Å
331	S	98.5	Very high	98	Very high	54 Å²	54	33.1 Å²	33.1	38%	0.378	19%	0.185	S	C	.	.	S	Bend	trans	-58	-15.3	168.1	53.4	0	0	0	0	113.8	G312 V313 D314	G312-S331 PolarHBondContact O-OG 3Å; V313-S331 WeakPolarHBondContact CA-OG 3.34Å; D314-S331 PolarHBondContact N-OG 2.96Å; D314-S331 VanDerWaalsContact OD2-CB 3.29Å; D314-S331 WeakPolarHBondContact OD2-CB 3.3Å
332	V	98.6	Very high	98	Very high	9 Å²	9	32 Å²	32	6%	0.055	18%	0.18	C	C	.	.	S	Bend	trans	-110.2	117.5	178.7	-175.2	0	0	0	0	109.2	E145 A311 G312 V313 T330 H334 I335	E145-V332 HydrophobicContact CB-CG1 4.4Å; A311-V332 WeakPolarHBondContact O-CG2 3.28Å; G312-V332 VanDerWaalsContact O-CG2 3.3Å; G312-V332 WeakPolarHBondContact O-CG2 3.22Å; V313-V332 HydrophobicContact CG2-CB 4.49Å; V313-V332 HydrophobicContact CG2-CG2 3.96Å; T330-V332 PolarHBondContact O-N 3.35Å; T330-V332 VanDerWaalsContact O-N 3.09Å; T330-V332 PolarHBondContact OG1-N 3.03Å; T330-V332 VanDerWaalsContact OG1-N 3.14Å; T330-V332 PolarHBondContact OG1-O 3.37Å; V332-H334 VanDerWaalsContact C-N 3.3Å; V332-H334 WeakPolarHBondContact CG1-CE1 3.34Å; V332-H334 PolarHBondContact O-N 3.1Å; V332-H334 VanDerWaalsContact O-N 3.07Å; V332-I335 HydrophobicContact CB-CB 4.12Å; V332-I335 HydrophobicContact CB-CD1 3.97Å; V332-I335 HydrophobicContact CB-CG1 4.02Å; V332-I335 HydrophobicContact CG1-CB 4.4Å; V332-I335 HydrophobicContact CG1-CD1 3.78Å; V332-I335 HydrophobicContact CG1-CG1 3.8Å; V332-I335 HydrophobicContact CG2-CD1 4.33Å; V332-I335 PolarHBondContact O-N 3.48Å
333	P	97.4	Very high	97.9	Very high	103 Å²	103	35.2 Å²	35.2	67%	0.669	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.2	-164.8	-29.9	35.8	0	0	0	117.2	Y336	P333-Y336 PolarHBondContact O-OH 2.96Å; P333-Y336 VanDerWaalsContact O-OH 3.06Å
334	H	97.4	Very high	97.7	Very high	29 Å²	29	35.1 Å²	35.1	13%	0.134	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	1.7	179.6	58.9	-89.1	0	0	0	113.5	E145 H146 H164 I165 V332 Y336	E145-H334 PolarHBondContact O-NE2 3.2Å; E145-H334 IonicContact OE2-CE1 3.57Å; H146-H334 AromaticContact CE1-CD2 3.22Å; H146-H334 PolarHBondContact CE1-CD2 2.89Å; H146-H334 AromaticContact CE1-CE1 3.09Å; H146-H334 PolarHBondContact CE1-CE1 2.92Å; H146-H334 AromaticContact CE1-CG 3.53Å; H146-H334 AromaticContact CE1-ND1 3.48Å; H146-H334 PolarHBondContact CE1-ND1 3.21Å; H146-H334 AromaticContact CE1-NE2 2.93Å; H146-H334 PolarHBondContact CE1-NE2 3.47Å; H146-H334 AromaticContact ND1-CD2 3.33Å; H146-H334 PolarHBondContact ND1-CD2 2.67Å; H146-H334 VanDerWaalsContact ND1-CD2 3.33Å; H146-H334 AromaticContact ND1-CE1 3.76Å; H146-H334 AromaticContact ND1-NE2 3.1Å; H146-H334 PolarHBondContact ND1-NE2 3.1Å; H146-H334 VanDerWaalsContact ND1-NE2 3.1Å; H146-H334 AromaticContact NE2-CE1 3.78Å; H146-H334 AromaticContact NE2-NE2 3.9Å; H164-H334 WeakPolarHBondContact CA-O 3.39Å; I165-H334 PolarHBondContact N-O 3.24Å; V332-H334 VanDerWaalsContact C-N 3.3Å; V332-H334 WeakPolarHBondContact CG1-CE1 3.34Å; V332-H334 PolarHBondContact O-N 3.1Å; V332-H334 VanDerWaalsContact O-N 3.07Å; H334-Y336 WeakPolarHBondContact O-CE2 3.43Å
335	I	98.7	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.5	174.4	-51.2	-178.8	0	0	0	109	F142 E145 I165 I167 A311 V313 T330 V332	F142-I335 HydrophobicContact CE1-CD1 4.16Å; E145-I335 HydrophobicContact CB-CD1 4.46Å; I165-I335 HydrophobicContact CB-CG1 4.31Å; I165-I335 HydrophobicContact CB-CG2 4.38Å; I165-I335 CarbonylContact O-C 3.54Å; I165-I335 WeakPolarHBondContact O-CA 3.31Å; I167-I335 HydrophobicContact CD1-CG2 3.73Å; I167-I335 HydrophobicContact CG1-CG2 4.13Å; A311-I335 HydrophobicContact CB-CD1 3.96Å; V313-I335 HydrophobicContact CG2-CB 4.34Å; V313-I335 HydrophobicContact CG2-CD1 3.8Å; V313-I335 HydrophobicContact CG2-CG2 3.99Å; T330-I335 WeakPolarHBondContact CB-O 3.45Å; T330-I335 HydrophobicContact CG2-CG2 4.21Å; T330-I335 WeakPolarHBondContact CG2-O 3.39Å; T330-I335 PolarHBondContact N-O 2.92Å; T330-I335 PolarHBondContact OG1-O 3.14Å; V332-I335 HydrophobicContact CB-CB 4.12Å; V332-I335 HydrophobicContact CB-CD1 3.97Å; V332-I335 HydrophobicContact CB-CG1 4.02Å; V332-I335 HydrophobicContact CG1-CB 4.4Å; V332-I335 HydrophobicContact CG1-CD1 3.78Å; V332-I335 HydrophobicContact CG1-CG1 3.8Å; V332-I335 HydrophobicContact CG2-CD1 4.33Å; V332-I335 PolarHBondContact O-N 3.48Å
336	Y	98.7	Very high	97.3	Very high	27 Å²	27	35 Å²	35	11%	0.106	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160.9	-179.1	-52.2	-87.2	0	0	0	110	H164 I165 I166 I167 E328 A329 P333 H334 L359 L363	H164-Y336 HydrophobicContact CB-CE2 4.32Å; H164-Y336 AromaticContact ND1-CE2 3.84Å; I165-Y336 WeakPolarHBondContact O-CD2 3.36Å; I165-Y336 PolarHBondContact O-N 2.93Å; I166-Y336 CarbonylContact C-O 3.55Å; I166-Y336 WeakPolarHBondContact CA-O 3.18Å; I166-Y336 HydrophobicContact CG1-CD2 4.26Å; I167-Y336 PolarHBondContact N-O 2.94Å; E328-Y336 CarbonylContact O-C 3.28Å; E328-Y336 WeakPolarHBondContact O-CA 3.42Å; E328-Y336 VanDerWaalsContact O-CB 3.31Å; E328-Y336 WeakPolarHBondContact O-CB 3.12Å; A329-Y336 HydrophobicContact CB-CD1 3.92Å; A329-Y336 HydrophobicContact CB-CE1 3.86Å; P333-Y336 PolarHBondContact O-OH 2.96Å; P333-Y336 VanDerWaalsContact O-OH 3.06Å; H334-Y336 WeakPolarHBondContact O-CE2 3.43Å; Y336-L359 HydrophobicContact CD1-CD1 3.66Å; Y336-L359 HydrophobicContact CD1-CD2 4.45Å; Y336-L359 HydrophobicContact CE1-CD1 4.11Å; Y336-L359 HydrophobicContact CG-CD1 3.97Å; Y336-L359 HydrophobicContact CG-CD2 4.05Å; Y336-L363 HydrophobicContact CD2-CD1 4.16Å; Y336-L363 HydrophobicContact CE1-CD2 4.15Å; Y336-L363 HydrophobicContact CE2-CD1 3.91Å; Y336-L363 HydrophobicContact CE2-CD2 3.71Å; Y336-L363 HydrophobicContact CE2-CG 4.45Å; Y336-L363 VanDerWaalsContact CZ-CD2 3.46Å; Y336-L363 VanDerWaalsContact OH-CD2 3.29Å; Y336-L363 WeakPolarHBondContact OH-CD2 3.49Å
337	A	98.4	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.6	170.9	0	0	0	0	0	111.9	I167 I322 V324 E328 T330 V341 V342	I167-A337 HydrophobicContact CB-CB 4.19Å; I167-A337 CarbonylContact O-C 3.53Å; I167-A337 VanDerWaalsContact O-CA 3.24Å; I167-A337 WeakPolarHBondContact O-CA 3.45Å; I322-A337 HydrophobicContact CB-CB 4.03Å; I322-A337 HydrophobicContact CD1-CB 3.94Å; I322-A337 HydrophobicContact CG2-CB 3.72Å; V324-A337 HydrophobicContact CG1-CB 3.85Å; E328-A337 PolarHBondContact O-N 3.07Å; T330-A337 HydrophobicContact CG2-CB 4.09Å; A337-V341 HydrophobicContact CB-CG1 4.16Å; A337-V342 HydrophobicContact CB-CG2 3.92Å; A337-V342 VanDerWaalsContact O-CG2 3.27Å; A337-V342 WeakPolarHBondContact O-CG2 3.45Å
338	I	97.6	Very high	97.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	19%	0.187	C	C	.	.			trans	-141.1	154.7	-177.1	62.3	174.7	0	0	0	112.9	G50 C54 I166 I167 A168 E328 L359	G50-I338 VanDerWaalsContact C-CD1 3.49Å; G50-I338 WeakPolarHBondContact O-CD1 3.47Å; C54-I338 WeakPolarHBondContact SG-CD1 3.23Å; I166-I338 HydrophobicContact CG2-CD1 3.87Å; I166-I338 HydrophobicContact CG2-CG1 3.83Å; I167-I338 PolarHBondContact O-N 3.06Å; A168-I338 HydrophobicContact CB-CD1 4.29Å; A168-I338 HydrophobicContact CB-CG1 3.8Å; E328-I338 HydrophobicContact CB-CG2 4.05Å; E328-I338 HydrophobicContact CG-CG2 3.96Å; I338-L359 HydrophobicContact CG2-CD2 3.88Å
339	G	96.3	Very high	96.9	Very high	12 Å²	12	32.6 Å²	32.6	12%	0.124	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	76.1	-155.5	178.1	0	0	0	0	0	113.2	V341 V342	G339-V341 PolarHBondContact O-N 2.93Å; G339-V342 WeakPolarHBondContact O-CB 3.46Å; G339-V342 PolarHBondContact O-N 2.86Å
340	D	96.4	Very high	96.8	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.144	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.8	-17.9	-168.8	-45.2	-2.7	0	0	0	114.9	R299 K321 V342 E347	R299-D340 IonicContact NH2-OD2 2.75Å; K321-D340 WeakPolarHBondContact CE-O 3.46Å; D340-V342 PolarHBondContact O-N 3.3Å; D340-E347 HydrophobicContact CB-CB 4.34Å; D340-E347 HydrophobicContact CB-CG 4.03Å
341	V	97.6	Very high	96.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-73	-14	178.8	77.2	0	0	0	0	112.6	I167 P301 T303 K321 I322 A337 G339	I167-V341 HydrophobicContact CG2-CG1 4.48Å; P301-V341 HydrophobicContact CB-CG2 4.29Å; T303-V341 HydrophobicContact CG2-CG2 3.43Å; T303-V341 VanDerWaalsContact CG2-CG2 3.43Å; K321-V341 CarbonylContact C-O 3.38Å; K321-V341 WeakPolarHBondContact CA-O 3.31Å; K321-V341 WeakPolarHBondContact CB-O 3.47Å; I322-V341 HydrophobicContact CD1-CG1 4.31Å; I322-V341 HydrophobicContact CD1-CG2 3.77Å; I322-V341 HydrophobicContact CG1-CG2 4.11Å; I322-V341 PolarHBondContact N-O 3.23Å; A337-V341 HydrophobicContact CB-CG1 4.16Å; G339-V341 PolarHBondContact O-N 2.93Å
342	V	98.1	Very high	96.5	Very high	3 Å²	3	34 Å²	34	2%	0.018	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-93.6	135.8	-173.6	-176	0	0	0	0	111.8	K321 V324 A337 G339 D340 R345	K321-V342 WeakPolarHBondContact CD-O 3.41Å; V324-V342 HydrophobicContact CB-CG1 4.34Å; V324-V342 HydrophobicContact CG1-CG1 4.16Å; V324-V342 HydrophobicContact CG1-CG2 4.5Å; V324-V342 HydrophobicContact CG2-CG1 3.27Å; A337-V342 HydrophobicContact CB-CG2 3.92Å; A337-V342 VanDerWaalsContact O-CG2 3.27Å; A337-V342 WeakPolarHBondContact O-CG2 3.45Å; G339-V342 WeakPolarHBondContact O-CB 3.46Å; G339-V342 PolarHBondContact O-N 2.86Å; D340-V342 PolarHBondContact O-N 3.3Å; V342-R345 HydrophobicContact CB-CB 4.45Å; V342-R345 HydrophobicContact CB-CG 4.1Å; V342-R345 HydrophobicContact CG1-CB 4.41Å; V342-R345 HydrophobicContact CG1-CG 3.56Å
343	E	97.2	Very high	96.3	Very high	67 Å²	67	35.8 Å²	35.8	31%	0.313	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	141.9	176	-171.9	60	-150.5	0	0	112.1	T319 K321 I322 L323 R345	T319-E343 WeakPolarHBondContact CB-OE2 3Å; T319-E343 WeakPolarHBondContact CG2-OE2 3.43Å; T319-E343 PolarHBondContact OG1-OE2 2.95Å; K321-E343 HydrophobicContact CB-CB 4.01Å; K321-E343 VanDerWaalsContact CB-OE2 3.29Å; K321-E343 WeakPolarHBondContact CB-OE2 3.43Å; K321-E343 WeakPolarHBondContact CD-OE2 3.26Å; I322-E343 PolarHBondContact O-N 3.15Å; L323-E343 HydrophobicContact CD2-CB 3.94Å; L323-E343 HydrophobicContact CD2-CG 4.06Å; E343-R345 PolarHBondContact O-N 2.94Å; E343-R345 VanDerWaalsContact O-N 3.1Å
344	G	93.8	Very high	96.2	Very high	70 Å²	70	35 Å²	35	72%	0.722	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	11.3	172.6	0	0	0	0	0	116.4
345	R	95	Very high	96.2	Very high	64 Å²	64	33.6 Å²	33.6	24%	0.242	20%	0.195	C	C	.	.	S	Bend	trans	-109.8	147.3	177.5	-56.2	-55.5	-171.6	-179.6	2.1	112.1	D325 V342 E343 E347 Y373	D325-R345 PolarHBondContact O-NH2 3.39Å; V342-R345 HydrophobicContact CB-CB 4.45Å; V342-R345 HydrophobicContact CB-CG 4.1Å; V342-R345 HydrophobicContact CG1-CB 4.41Å; V342-R345 HydrophobicContact CG1-CG 3.56Å; E343-R345 PolarHBondContact O-N 2.94Å; E343-R345 VanDerWaalsContact O-N 3.1Å; R345-E347 PolarHBondContact O-N 3.4Å; R345-Y373 HydrophobicContact CB-CE1 4.18Å; R345-Y373 HydrophobicContact CG-CE1 4.14Å
346	P	94.6	Very high	96	Very high	42 Å²	42	33.6 Å²	33.6	27%	0.273	20%	0.195	S	C	.	.			trans	-59	132.4	173.6	-23.7	33.6	0	0	0	112.9	L348 I351	P346-L348 HydrophobicContact CB-CD1 4.31Å; P346-L348 HydrophobicContact CB-CG 4.35Å; P346-L348 PolarHBondContact O-N 3.06Å; P346-I351 HydrophobicContact CB-CG1 4.45Å
347	E	95.7	Very high	95.8	Very high	64 Å²	64	39.1 Å²	39.1	30%	0.299	22%	0.216	S	C	.	.			trans	-83.2	57.9	177.9	-60.8	-174.6	-170.3	0	0	111.5	K321 D340 R345	K321-E347 WeakPolarHBondContact CE-OE1 3.48Å; K321-E347 IonicContact NZ-OE1 2.7Å; K321-E347 PolarHBondContact NZ-OE1 3.03Å; D340-E347 HydrophobicContact CB-CB 4.34Å; D340-E347 HydrophobicContact CB-CG 4.03Å; R345-E347 PolarHBondContact O-N 3.4Å
348	L	94.8	Very high	95.7	Very high	47 Å²	47	39.5 Å²	39.5	25%	0.246	22%	0.218	C	C	.	.			trans	-122.4	139.5	-174.9	-63.6	176.5	0	0	0	111.9	P346 I351 A352 V376	P346-L348 HydrophobicContact CB-CD1 4.31Å; P346-L348 HydrophobicContact CB-CG 4.35Å; P346-L348 PolarHBondContact O-N 3.06Å; L348-I351 HydrophobicContact CB-CB 4.36Å; L348-I351 HydrophobicContact CB-CG1 4.05Å; L348-I351 WeakPolarHBondContact O-CB 3.44Å; L348-I351 PolarHBondContact O-N 3.12Å; L348-A352 PolarHBondContact O-N 3.45Å; L348-V376 HydrophobicContact CD1-CG1 3.87Å
349	T	94	Very high	95.6	Very high	37 Å²	37	39.5 Å²	39.5	23%	0.227	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-46	-177.6	-84.6	0	0	0	0	114.4	S49 C67 I351 A352 I353	S49-T349 WeakPolarHBondContact OG-CG2 3.37Å; S49-T349 PolarHBondContact OG-OG1 2.79Å; C67-T349 HydrophobicContact CB-CG2 4.31Å; C67-T349 WeakPolarHBondContact CB-OG1 3.24Å; C67-T349 PolarHBondContact SG-OG1 3.09Å; C67-T349 VanDerWaalsContact SG-OG1 3.33Å; T349-I351 PolarHBondContact O-N 2.95Å; T349-A352 PolarHBondContact O-N 2.62Å; T349-I353 HydrophobicContact CG2-CD1 3.72Å; T349-I353 HydrophobicContact CG2-CG1 4.47Å; T349-I353 WeakPolarHBondContact O-CG1 3.48Å; T349-I353 PolarHBondContact O-N 3.21Å
350	P	95.1	Very high	95.5	Very high	93 Å²	93	40.6 Å²	40.6	60%	0.604	22%	0.222	S	C	*	.	H	α-helix	trans	-58.5	-36.4	176.6	-26.2	36	0	0	0	112.8	I353 M354	P350-I353 PolarHBondContact O-N 3.43Å; P350-M354 WeakPolarHBondContact O-CB 3.4Å; P350-M354 PolarHBondContact O-N 3.44Å
351	I	95.4	Very high	95.2	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.062	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-48.4	177.4	-61.7	-57.9	0	0	0	111.4	P346 L348 T349 I353 M354 A355 M371 Y373 V376	P346-I351 HydrophobicContact CB-CG1 4.45Å; L348-I351 HydrophobicContact CB-CB 4.36Å; L348-I351 HydrophobicContact CB-CG1 4.05Å; L348-I351 WeakPolarHBondContact O-CB 3.44Å; L348-I351 PolarHBondContact O-N 3.12Å; T349-I351 PolarHBondContact O-N 2.95Å; I351-I353 VanDerWaalsContact C-N 3.29Å; I351-I353 PolarHBondContact O-N 3.37Å; I351-M354 PolarHBondContact O-N 3.39Å; I351-A355 VanDerWaalsContact O-CB 3.28Å; I351-A355 WeakPolarHBondContact O-CB 3.4Å; I351-A355 PolarHBondContact O-N 3.26Å; I351-M371 HydrophobicContact CD1-CE 3.4Å; I351-M371 HydrophobicContact CG2-CE 4.18Å; I351-Y373 HydrophobicContact CG2-CD1 3.62Å; I351-Y373 HydrophobicContact CG2-CE1 3.37Å; I351-V376 HydrophobicContact CD1-CB 4.12Å; I351-V376 HydrophobicContact CD1-CG1 3.57Å; I351-V376 HydrophobicContact CD1-CG2 3.39Å; I351-V376 HydrophobicContact CG1-CG1 3.75Å; I351-V376 HydrophobicContact CG1-CG2 4.21Å
352	A	95.1	Very high	95.2	Very high	6 Å²	6	45 Å²	45	5%	0.05	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-41.1	175.9	0	0	0	0	0	111.9	G50 L348 T349 G356	G50-A352 WeakPolarHBondContact CA-O 3.47Å; L348-A352 PolarHBondContact O-N 3.45Å; T349-A352 PolarHBondContact O-N 2.62Å; A352-G356 PolarHBondContact O-N 3.04Å
353	I	94.1	Very high	94.8	Very high	47 Å²	47	46.7 Å²	46.7	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-48.6	177.8	-69.8	167.7	0	0	0	111.1	S49 A53 T349 P350 I351 G356 R357	S49-I353 WeakPolarHBondContact O-CG1 3.43Å; A53-I353 HydrophobicContact CB-CB 4.31Å; A53-I353 HydrophobicContact CB-CG1 4.43Å; A53-I353 HydrophobicContact CB-CG2 4.08Å; T349-I353 HydrophobicContact CG2-CD1 3.72Å; T349-I353 HydrophobicContact CG2-CG1 4.47Å; T349-I353 WeakPolarHBondContact O-CG1 3.48Å; T349-I353 PolarHBondContact O-N 3.21Å; P350-I353 PolarHBondContact O-N 3.43Å; I351-I353 VanDerWaalsContact C-N 3.29Å; I351-I353 PolarHBondContact O-N 3.37Å; I353-G356 PolarHBondContact O-N 3.17Å; I353-R357 WeakPolarHBondContact O-CG 3.36Å; I353-R357 PolarHBondContact O-N 3.36Å
354	M	96.7	Very high	94.6	Very high	85 Å²	85	48.3 Å²	48.3	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-67.8	-45.6	-176.7	-170.6	62.1	-177.6	0	0	111.4	P350 I351 G356 R357 L358 M371	P350-M354 WeakPolarHBondContact O-CB 3.4Å; P350-M354 PolarHBondContact O-N 3.44Å; I351-M354 PolarHBondContact O-N 3.39Å; M354-G356 VanDerWaalsContact C-N 3.31Å; M354-G356 PolarHBondContact O-N 3.19Å; M354-R357 PolarHBondContact O-N 2.98Å; M354-L358 HydrophobicContact CE-CD1 3.9Å; M354-L358 HydrophobicContact CE-CD2 3.9Å; M354-L358 HydrophobicContact CE-CG 3.87Å; M354-L358 HydrophobicContact CG-CD1 4.12Å; M354-L358 HydrophobicContact CG-CG 4.44Å; M354-L358 WeakPolarHBondContact O-CG 3.35Å; M354-L358 PolarHBondContact O-N 3.28Å; M354-L358 HydrophobicContact SD-CG 4.47Å; M354-M371 HydrophobicContact CB-CE 4.01Å; M354-M371 HydrophobicContact CB-SD 3.78Å; M354-M371 HydrophobicContact CG-CE 4.15Å; M354-M371 HydrophobicContact CG-SD 3.52Å; M354-M371 VanDerWaalsContact CG-SD 3.52Å
355	A	97.3	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-45.1	174.8	0	0	0	0	0	111.5	I351 R357 L358 L359 M371	I351-A355 VanDerWaalsContact O-CB 3.28Å; I351-A355 WeakPolarHBondContact O-CB 3.4Å; I351-A355 PolarHBondContact O-N 3.26Å; A355-R357 PolarHBondContact O-N 3.42Å; A355-L358 PolarHBondContact O-N 3.03Å; A355-L359 VanDerWaalsContact O-CB 3.25Å; A355-L359 WeakPolarHBondContact O-CB 3.34Å; A355-L359 PolarHBondContact O-N 3.31Å; A355-M371 HydrophobicContact CB-CB 4.32Å; A355-M371 HydrophobicContact CB-CG 4.09Å
356	G	94.8	Very high	94.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-39.4	177.2	0	0	0	0	0	114.1	C54 A352 I353 M354 V360	C54-G356 VanDerWaalsContact SG-C 3.51Å; C54-G356 WeakPolarHBondContact SG-CA 3.26Å; C54-G356 PolarHBondContact SG-O 2.94Å; A352-G356 PolarHBondContact O-N 3.04Å; I353-G356 PolarHBondContact O-N 3.17Å; M354-G356 VanDerWaalsContact C-N 3.31Å; M354-G356 PolarHBondContact O-N 3.19Å; G356-V360 WeakPolarHBondContact O-CG2 3.43Å; G356-V360 PolarHBondContact O-N 2.92Å; G356-V360 VanDerWaalsContact O-N 3.15Å
357	R	93.3	Very high	94.1	Very high	143 Å²	143	47.6 Å²	47.6	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-49.8	175.7	-75.5	175.8	-178.2	174.8	2	111.8	A53 I353 M354 A355 L359 V360 Q361	A53-R357 HydrophobicContact CB-CG 4.33Å; I353-R357 WeakPolarHBondContact O-CG 3.36Å; I353-R357 PolarHBondContact O-N 3.36Å; M354-R357 PolarHBondContact O-N 2.98Å; A355-R357 PolarHBondContact O-N 3.42Å; R357-L359 VanDerWaalsContact C-N 3.32Å; R357-L359 PolarHBondContact O-N 3.3Å; R357-V360 PolarHBondContact O-N 3.26Å; R357-Q361 WeakPolarHBondContact O-CG 3.24Å; R357-Q361 PolarHBondContact O-N 2.98Å
358	L	96.1	Very high	94.2	Very high	9 Å²	9	49 Å²	49	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-42.4	179	-69.9	175.1	0	0	0	110.9	M354 A355 V360 Q361 R362 D369 M371	M354-L358 HydrophobicContact CE-CD1 3.9Å; M354-L358 HydrophobicContact CE-CD2 3.9Å; M354-L358 HydrophobicContact CE-CG 3.87Å; M354-L358 HydrophobicContact CG-CD1 4.12Å; M354-L358 HydrophobicContact CG-CG 4.44Å; M354-L358 WeakPolarHBondContact O-CG 3.35Å; M354-L358 PolarHBondContact O-N 3.28Å; M354-L358 HydrophobicContact SD-CG 4.47Å; A355-L358 PolarHBondContact O-N 3.03Å; L358-V360 PolarHBondContact O-N 3.41Å; L358-Q361 WeakPolarHBondContact O-CB 3.49Å; L358-Q361 PolarHBondContact O-N 2.91Å; L358-R362 WeakPolarHBondContact O-CG 3.39Å; L358-R362 PolarHBondContact O-N 2.91Å; L358-D369 HydrophobicContact CD2-CB 3.87Å; L358-M371 HydrophobicContact CD1-CB 4.06Å; L358-M371 HydrophobicContact CD1-SD 3.99Å
359	L	96.8	Very high	94.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-49.2	176.1	177.1	58.6	0	0	0	112.1	I166 E328 Y336 I338 A355 R357 Q361 R362 L363	I166-L359 HydrophobicContact CD1-CD2 3.75Å; I166-L359 HydrophobicContact CD1-CG 4.27Å; I166-L359 HydrophobicContact CG1-CD2 3.94Å; I166-L359 HydrophobicContact CG2-CD2 4.21Å; E328-L359 HydrophobicContact CB-CD2 4.45Å; Y336-L359 HydrophobicContact CD1-CD1 3.66Å; Y336-L359 HydrophobicContact CD1-CD2 4.45Å; Y336-L359 HydrophobicContact CE1-CD1 4.11Å; Y336-L359 HydrophobicContact CG-CD1 3.97Å; Y336-L359 HydrophobicContact CG-CD2 4.05Å; I338-L359 HydrophobicContact CG2-CD2 3.88Å; A355-L359 VanDerWaalsContact O-CB 3.25Å; A355-L359 WeakPolarHBondContact O-CB 3.34Å; A355-L359 PolarHBondContact O-N 3.31Å; R357-L359 VanDerWaalsContact C-N 3.32Å; R357-L359 PolarHBondContact O-N 3.3Å; L359-Q361 VanDerWaalsContact C-N 3.3Å; L359-Q361 PolarHBondContact O-N 3.17Å; L359-R362 PolarHBondContact O-N 3.25Å; L359-R362 VanDerWaalsContact O-N 3.13Å; L359-L363 HydrophobicContact CD1-CD1 4Å; L359-L363 HydrophobicContact CD1-CG 4.05Å; L359-L363 HydrophobicContact CG-CD1 4.06Å; L359-L363 HydrophobicContact CG-CG 4.48Å; L359-L363 WeakPolarHBondContact O-CG 3.34Å; L359-L363 PolarHBondContact O-N 3.19Å
360	V	92.8	Very high	94.5	Very high	35 Å²	35	53 Å²	53	21%	0.212	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-36.3	177.6	169.8	0	0	0	0	111.9	C54 I166 G356 R357 L358 R362 L363 F364	C54-V360 HydrophobicContact CB-CG2 3.87Å; I166-V360 HydrophobicContact CD1-CG2 4.46Å; G356-V360 WeakPolarHBondContact O-CG2 3.43Å; G356-V360 PolarHBondContact O-N 2.92Å; G356-V360 VanDerWaalsContact O-N 3.15Å; R357-V360 PolarHBondContact O-N 3.26Å; L358-V360 PolarHBondContact O-N 3.41Å; V360-R362 VanDerWaalsContact C-N 3.33Å; V360-L363 PolarHBondContact O-N 3.15Å; V360-F364 HydrophobicContact CG1-CD2 4.08Å; V360-F364 PolarHBondContact O-N 3.23Å
361	Q	91.1	Very high	94.6	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-35.4	174	-71.9	173.3	-9.9	0	0	112.4	R357 L358 L359 G365 G366 S367	R357-Q361 WeakPolarHBondContact O-CG 3.24Å; R357-Q361 PolarHBondContact O-N 2.98Å; L358-Q361 WeakPolarHBondContact O-CB 3.49Å; L358-Q361 PolarHBondContact O-N 2.91Å; L359-Q361 VanDerWaalsContact C-N 3.3Å; L359-Q361 PolarHBondContact O-N 3.17Å; Q361-G365 CarbonylContact O-C 3.52Å; Q361-G365 WeakPolarHBondContact O-CA 3.12Å; Q361-G365 PolarHBondContact O-N 3.08Å; Q361-G366 PolarHBondContact O-N 3.48Å; Q361-S367 PolarHBondContact O-N 2.96Å; Q361-S367 VanDerWaalsContact O-N 3.09Å
362	R	96.6	Very high	94.7	Very high	27 Å²	27	53.2 Å²	53.2	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-44.1	173.3	-66.2	-167	-61.3	-90.5	2	112	R327 E328 L358 L359 V360 S367 D369	R327-R362 PolarHBondContact O-NH2 3.02Å; E328-R362 IonicContact OE2-CZ 3.76Å; E328-R362 IonicContact OE2-NH1 3.44Å; E328-R362 IonicContact OE2-NH2 3.75Å; E328-R362 PolarHBondContact OE2-NH2 3.43Å; L358-R362 WeakPolarHBondContact O-CG 3.39Å; L358-R362 PolarHBondContact O-N 2.91Å; L359-R362 PolarHBondContact O-N 3.25Å; L359-R362 VanDerWaalsContact O-N 3.13Å; V360-R362 VanDerWaalsContact C-N 3.33Å; R362-S367 WeakPolarHBondContact CA-O 3.38Å; R362-S367 WeakPolarHBondContact CG-O 3.47Å; R362-D369 WeakPolarHBondContact CD-O 3.19Å; R362-D369 PolarHBondContact NH1-O 3.36Å
363	L	90.8	Very high	94.8	Very high	39 Å²	39	54.3 Å²	54.3	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-42.7	-177.1	-66.9	177.1	0	0	0	113	I166 Y336 L359 V360	I166-L363 HydrophobicContact CD1-CD1 4.43Å; Y336-L363 HydrophobicContact CD2-CD1 4.16Å; Y336-L363 HydrophobicContact CE1-CD2 4.15Å; Y336-L363 HydrophobicContact CE2-CD1 3.91Å; Y336-L363 HydrophobicContact CE2-CD2 3.71Å; Y336-L363 HydrophobicContact CE2-CG 4.45Å; Y336-L363 VanDerWaalsContact CZ-CD2 3.46Å; Y336-L363 VanDerWaalsContact OH-CD2 3.29Å; Y336-L363 WeakPolarHBondContact OH-CD2 3.49Å; L359-L363 HydrophobicContact CD1-CD1 4Å; L359-L363 HydrophobicContact CD1-CG 4.05Å; L359-L363 HydrophobicContact CG-CD1 4.06Å; L359-L363 HydrophobicContact CG-CG 4.48Å; L359-L363 WeakPolarHBondContact O-CG 3.34Å; L359-L363 PolarHBondContact O-N 3.19Å; V360-L363 PolarHBondContact O-N 3.15Å
364	F	91.9	Very high	94.8	Very high	101 Å²	101	57.5 Å²	57.5	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-124	-10.2	-168.8	-55.7	-72.2	0	0	0	114.2	L42 H164 V360	L42-F364 HydrophobicContact CB-CE2 4.22Å; L42-F364 HydrophobicContact CB-CZ 3.95Å; L42-F364 HydrophobicContact CD1-CE2 4.33Å; L42-F364 HydrophobicContact CD1-CZ 4.43Å; L42-F364 HydrophobicContact CD2-CE2 4.01Å; L42-F364 HydrophobicContact CG-CE2 4.42Å; H164-F364 AromaticContact CD2-CZ 3.82Å; V360-F364 HydrophobicContact CG1-CD2 4.08Å; V360-F364 PolarHBondContact O-N 3.23Å
365	G	88.3	Confident	94.7	Very high	59 Å²	59	56.1 Å²	56.1	61%	0.608	32%	0.319	S	S	*	.	S	Bend	trans	-111.6	-3.6	-176.6	0	0	0	0	0	114.9	Q361 S367	Q361-G365 CarbonylContact O-C 3.52Å; Q361-G365 WeakPolarHBondContact O-CA 3.12Å; Q361-G365 PolarHBondContact O-N 3.08Å; G365-S367 VanDerWaalsContact C-N 3.27Å; G365-S367 PolarHBondContact O-N 3.32Å
366	G	90.1	Very high	94.8	Very high	75 Å²	75	57.9 Å²	57.9	77%	0.773	33%	0.329	S	S	*	.			trans	71	14.9	-178.7	0	0	0	0	0	115.2	Q361	Q361-G366 PolarHBondContact O-N 3.48Å
367	S	95.7	Very high	94.9	Very high	27 Å²	27	59.7 Å²	59.7	19%	0.189	34%	0.341	C	S	.	.			trans	-71.2	152.6	175.7	175.9	0	0	0	0	111.6	Q361 R362 G365 D369	Q361-S367 PolarHBondContact O-N 2.96Å; Q361-S367 VanDerWaalsContact O-N 3.09Å; R362-S367 WeakPolarHBondContact CA-O 3.38Å; R362-S367 WeakPolarHBondContact CG-O 3.47Å; G365-S367 VanDerWaalsContact C-N 3.27Å; G365-S367 PolarHBondContact O-N 3.32Å; S367-D369 WeakPolarHBondContact OG-CB 3.22Å; S367-D369 VanDerWaalsContact OG-CG 3.28Å; S367-D369 PolarHBondContact OG-N 2.89Å; S367-D369 PolarHBondContact OG-OD2 3.4Å; S367-D369 VanDerWaalsContact OG-OD2 3.08Å
368	S	97.4	Very high	95.2	Very high	93 Å²	93	54.5 Å²	54.5	65%	0.65	33%	0.325	S	S	*	.			trans	-106	-0.2	168.8	53.2	0	0	0	0	113.3	L370	S368-L370 PolarHBondContact O-N 2.99Å
369	D	97.6	Very high	95.3	Very high	91 Å²	91	55.3 Å²	55.3	49%	0.487	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-69.2	128.2	-170.9	-58.6	-30	0	0	0	111.2	L358 R362 S367	L358-D369 HydrophobicContact CD2-CB 3.87Å; R362-D369 WeakPolarHBondContact CD-O 3.19Å; R362-D369 PolarHBondContact NH1-O 3.36Å; S367-D369 WeakPolarHBondContact OG-CB 3.22Å; S367-D369 VanDerWaalsContact OG-CG 3.28Å; S367-D369 PolarHBondContact OG-N 2.89Å; S367-D369 PolarHBondContact OG-OD2 3.4Å; S367-D369 VanDerWaalsContact OG-OD2 3.08Å
370	L	98.2	Very high	95.4	Very high	79 Å²	79	55.3 Å²	55.3	41%	0.414	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-97.3	157.3	175.5	-56.7	-174.6	0	0	0	110.5	R327 S368	R327-L370 HydrophobicContact CB-CD2 4.41Å; R327-L370 HydrophobicContact CG-CD2 3.86Å; S368-L370 PolarHBondContact O-N 2.99Å
371	M	97.4	Very high	95.7	Very high	25 Å²	25	55.3 Å²	55.3	12%	0.123	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-74.7	128.5	173.5	-179.2	60.2	-169	0	0	109.9	I351 M354 A355 L358 Y373	I351-M371 HydrophobicContact CD1-CE 3.4Å; I351-M371 HydrophobicContact CG2-CE 4.18Å; M354-M371 HydrophobicContact CB-CE 4.01Å; M354-M371 HydrophobicContact CB-SD 3.78Å; M354-M371 HydrophobicContact CG-CE 4.15Å; M354-M371 HydrophobicContact CG-SD 3.52Å; M354-M371 VanDerWaalsContact CG-SD 3.52Å; A355-M371 HydrophobicContact CB-CB 4.32Å; A355-M371 HydrophobicContact CB-CG 4.09Å; L358-M371 HydrophobicContact CD1-CB 4.06Å; L358-M371 HydrophobicContact CD1-SD 3.99Å; M371-Y373 HydrophobicContact CB-CD2 4.16Å; M371-Y373 HydrophobicContact CB-CE2 3.53Å; M371-Y373 HydrophobicContact CG-CD1 4.08Å; M371-Y373 HydrophobicContact CG-CD2 3.87Å; M371-Y373 HydrophobicContact CG-CE1 3.7Å; M371-Y373 HydrophobicContact CG-CE2 3.47Å; M371-Y373 VanDerWaalsContact CG-CE2 3.47Å; M371-Y373 HydrophobicContact CG-CG 4.18Å; M371-Y373 WeakPolarHBondContact O-CD2 3.45Å
372	D	97	Very high	96	Very high	83 Å²	83	51 Å²	51	44%	0.444	31%	0.308	S	S	.	.			trans	-90.8	114.3	170.9	-178.5	-13.6	0	0	0	109.1	D374 K463	D372-D374 WeakPolarHBondContact OD1-CB 3.4Å; D372-D374 PolarHBondContact OD1-N 3.14Å; D372-K463 IonicContact OD1-NZ 3.86Å; D372-K463 PolarHBondContact OD1-NZ 3.24Å; D372-K463 IonicContact OD2-NZ 3.92Å; D372-K463 PolarHBondContact OD2-NZ 3.3Å
373	Y	96.1	Very high	96.1	Very high	30 Å²	30	51.2 Å²	51.2	12%	0.118	31%	0.313	C	S	.	.			trans	-98.8	-0.1	-177.9	-67.9	-82.9	0	0	0	113.4	E328 R345 I351 M371 V376	E328-Y373 PolarHBondContact OE1-OH 3.28Å; R345-Y373 HydrophobicContact CB-CE1 4.18Å; R345-Y373 HydrophobicContact CG-CE1 4.14Å; I351-Y373 HydrophobicContact CG2-CD1 3.62Å; I351-Y373 HydrophobicContact CG2-CE1 3.37Å; M371-Y373 HydrophobicContact CB-CD2 4.16Å; M371-Y373 HydrophobicContact CB-CE2 3.53Å; M371-Y373 HydrophobicContact CG-CD1 4.08Å; M371-Y373 HydrophobicContact CG-CD2 3.87Å; M371-Y373 HydrophobicContact CG-CE1 3.7Å; M371-Y373 HydrophobicContact CG-CE2 3.47Å; M371-Y373 VanDerWaalsContact CG-CE2 3.47Å; M371-Y373 HydrophobicContact CG-CG 4.18Å; M371-Y373 WeakPolarHBondContact O-CD2 3.45Å; Y373-V376 WeakPolarHBondContact O-CG2 3.43Å
374	D	94.7	Very high	96.5	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	30%	0.304	S	S	*	.	S	Bend	trans	-84.5	153.8	-179.7	-65.3	-31.1	0	0	0	110.7	D372 V376 K463	D372-D374 WeakPolarHBondContact OD1-CB 3.4Å; D372-D374 PolarHBondContact OD1-N 3.14Å; D374-V376 PolarHBondContact O-N 2.75Å; D374-V376 VanDerWaalsContact O-N 3.1Å; D374-K463 VanDerWaalsContact O-CE 3.23Å; D374-K463 WeakPolarHBondContact O-CE 3.43Å; D374-K463 PolarHBondContact O-NZ 2.73Å
375	N	95.7	Very high	96.9	Very high	56 Å²	56	45.1 Å²	45.1	30%	0.299	29%	0.285	S	S	.	.	S	Bend	trans	50.2	39.1	173.7	-57.5	-27.6	0	0	0	114.2	P377 V389 I462	N375-P377 WeakPolarHBondContact O-CD 3.3Å; N375-V389 VanDerWaalsContact O-CG2 3.31Å; N375-V389 WeakPolarHBondContact O-CG2 3.43Å; N375-I462 HydrophobicContact CB-CG2 3.96Å
376	V	97.8	Very high	97.4	Very high	36 Å²	36	42.3 Å²	42.3	22%	0.218	26%	0.256	C	S	.	.			trans	-75.5	120.8	176.8	175.5	0	0	0	0	109.4	L348 I351 Y373 D374	L348-V376 HydrophobicContact CD1-CG1 3.87Å; I351-V376 HydrophobicContact CD1-CB 4.12Å; I351-V376 HydrophobicContact CD1-CG1 3.57Å; I351-V376 HydrophobicContact CD1-CG2 3.39Å; I351-V376 HydrophobicContact CG1-CG1 3.75Å; I351-V376 HydrophobicContact CG1-CG2 4.21Å; Y373-V376 WeakPolarHBondContact O-CG2 3.43Å; D374-V376 PolarHBondContact O-N 2.75Å; D374-V376 VanDerWaalsContact O-N 3.1Å
377	P	98.3	Very high	97.8	Very high	39 Å²	39	38.8 Å²	38.8	25%	0.253	22%	0.219	S	C	.	.			trans	-69.5	145.9	175.3	28.9	-34.5	0	0	0	111.3	N375 C388 V389 T455 A459	N375-P377 WeakPolarHBondContact O-CD 3.3Å; P377-C388 WeakPolarHBondContact CA-O 3.4Å; P377-V389 HydrophobicContact CB-CB 3.98Å; P377-V389 HydrophobicContact CB-CG2 4.15Å; P377-T455 HydrophobicContact CB-CG2 4.19Å; P377-A459 HydrophobicContact CB-CB 3.7Å; P377-A459 HydrophobicContact CG-CB 3.58Å
378	T	98.3	Very high	97.9	Very high	33 Å²	33	38 Å²	38	20%	0.202	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.1	175.2	-169.4	0	0	0	0	111.2	F237 G387 C388	F237-T378 HydrophobicContact CE1-CG2 3.75Å; F237-T378 HydrophobicContact CZ-CG2 4.33Å; T378-G387 WeakPolarHBondContact O-CA 3.46Å; T378-C388 WeakPolarHBondContact CG2-SG 3.47Å; T378-C388 PolarHBondContact N-O 3.34Å; T378-C388 PolarHBondContact O-N 2.96Å
379	T	98.8	Very high	98	Very high	26 Å²	26	33.7 Å²	33.7	16%	0.16	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.6	175	-56.6	0	0	0	0	110.3	F381 E385 Y386 A451 G452	T379-F381 HydrophobicContact CG2-CD1 4.28Å; T379-F381 HydrophobicContact CG2-CD2 4.13Å; T379-F381 HydrophobicContact CG2-CE1 3.94Å; T379-F381 HydrophobicContact CG2-CE2 3.88Å; T379-F381 HydrophobicContact CG2-CG 4.39Å; T379-F381 HydrophobicContact CG2-CZ 3.77Å; T379-F381 WeakPolarHBondContact O-CD2 3.43Å; T379-F381 WeakPolarHBondContact O-CE2 3.28Å; T379-E385 HydrophobicContact CG2-CB 4.44Å; T379-Y386 CarbonylContact C-O 3.57Å; T379-Y386 VanDerWaalsContact CA-O 3.26Å; T379-Y386 WeakPolarHBondContact CA-O 3.43Å; T379-A451 HydrophobicContact CG2-CB 4.22Å; T379-G452 WeakPolarHBondContact OG1-CA 3.28Å
380	V	98.8	Very high	98	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.4	170.4	-177.9	0	0	0	0	107.8	E213 L234 F237 T382 Y386	E213-V380 HydrophobicContact CG-CG1 4.11Å; L234-V380 HydrophobicContact CD2-CG1 4.36Å; L234-V380 HydrophobicContact CD2-CG2 4.36Å; F237-V380 HydrophobicContact CE1-CG2 3.72Å; F237-V380 HydrophobicContact CZ-CG2 3.75Å; V380-T382 HydrophobicContact CG1-CG2 3.96Å; V380-T382 PolarHBondContact O-N 3.31Å; V380-Y386 HydrophobicContact CG2-CD1 4.44Å; V380-Y386 PolarHBondContact N-O 2.75Å; V380-Y386 PolarHBondContact O-N 2.9Å
381	F	98.8	Very high	98.1	Very high	35 Å²	35	28 Å²	28	15%	0.154	16%	0.161	C	C	.	.			trans	-88.5	58.8	-174.5	-66.9	-90	0	0	0	111.3	K75 K76 H79 E213 T379 E385	K75-F381 HydrophobicContact CD-CB 4.23Å; K76-F381 HydrophobicContact CD-CD1 3.79Å; K76-F381 HydrophobicContact CD-CE1 3.91Å; K76-F381 HydrophobicContact CD-CG 4.36Å; K76-F381 HydrophobicContact CD-CZ 4.5Å; H79-F381 PolarHBondContact ND1-O 2.96Å; E213-F381 HydrophobicContact CG-CB 4.4Å; E213-F381 PolarHBondContact OE1-N 3.31Å; T379-F381 HydrophobicContact CG2-CD1 4.28Å; T379-F381 HydrophobicContact CG2-CD2 4.13Å; T379-F381 HydrophobicContact CG2-CE1 3.94Å; T379-F381 HydrophobicContact CG2-CE2 3.88Å; T379-F381 HydrophobicContact CG2-CG 4.39Å; T379-F381 HydrophobicContact CG2-CZ 3.77Å; T379-F381 WeakPolarHBondContact O-CD2 3.43Å; T379-F381 WeakPolarHBondContact O-CE2 3.28Å; F381-E385 HydrophobicContact CD1-CG 4.23Å; F381-E385 WeakPolarHBondContact CD1-OE1 3.49Å
382	T	98.8	Very high	98.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.161	C	C	.	.	S	Bend	trans	-72.6	169	166.7	35.7	0	0	0	0	111.1	H79 L212 V245 M249 V380 L384 E385	H79-T382 PolarHBondContact CE1-O 3.27Å; L212-T382 HydrophobicContact CB-CG2 3.54Å; V245-T382 HydrophobicContact CG1-CG2 3.7Å; M249-T382 HydrophobicContact SD-CG2 3.84Å; V380-T382 HydrophobicContact CG1-CG2 3.96Å; V380-T382 PolarHBondContact O-N 3.31Å; T382-L384 CarbonylContact C-O 3.55Å; T382-L384 WeakPolarHBondContact CB-O 3.34Å; T382-L384 CarbonylContact O-C 3.49Å; T382-L384 VanDerWaalsContact O-C 3.26Å; T382-L384 PolarHBondContact O-N 3.4Å; T382-L384 VanDerWaalsContact O-N 3.14Å; T382-L384 PolarHBondContact OG1-O 3.45Å; T382-E385 PolarHBondContact O-N 2.92Å
383	P	98.8	Very high	98.2	Very high	32 Å²	32	26.9 Å²	26.9	21%	0.208	15%	0.154	C	C	.	.	S	Bend	trans	-52.8	-38	-177.7	-29.1	37.6	0	0	0	113.8	G216 M249	G216-P383 VanDerWaalsContact CA-CG 3.47Å; M249-P383 HydrophobicContact CG-CG 4.29Å
384	L	98.8	Very high	98.3	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.026	17%	0.166	C	C	.	.	S	Bend	trans	-102.8	120.5	156.1	-168.4	64.8	0	0	0	107.5	H248 T382 Q426 L447	H248-L384 HydrophobicContact CB-CB 4.46Å; H248-L384 HydrophobicContact CB-CD2 4.47Å; H248-L384 WeakPolarHBondContact CD2-CB 3.42Å; H248-L384 WeakPolarHBondContact NE2-CB 3.26Å; T382-L384 CarbonylContact C-O 3.55Å; T382-L384 WeakPolarHBondContact CB-O 3.34Å; T382-L384 CarbonylContact O-C 3.49Å; T382-L384 VanDerWaalsContact O-C 3.26Å; T382-L384 PolarHBondContact O-N 3.4Å; T382-L384 VanDerWaalsContact O-N 3.14Å; T382-L384 PolarHBondContact OG1-O 3.45Å; L384-Q426 HydrophobicContact CD2-CB 4.01Å; L384-L447 HydrophobicContact CB-CD1 4.27Å; L384-L447 HydrophobicContact CD2-CD1 4.01Å; L384-L447 HydrophobicContact CD2-CD2 4.35Å; L384-L447 HydrophobicContact CD2-CG 3.75Å; L384-L447 HydrophobicContact CG-CD1 3.9Å; L384-L447 HydrophobicContact CG-CG 4.11Å
385	E	98.9	Very high	98.5	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	141.6	-170.7	-57.2	-179.3	171.5	0	0	110.8	H79 T379 F381 T382 L447 G448 N450 A451	H79-E385 IonicContact CD2-OE1 2.7Å; H79-E385 IonicContact CE1-OE1 2.64Å; H79-E385 IonicContact NE2-OE1 3.04Å; H79-E385 PolarHBondContact NE2-OE1 2.83Å; T379-E385 HydrophobicContact CG2-CB 4.44Å; F381-E385 HydrophobicContact CD1-CG 4.23Å; F381-E385 WeakPolarHBondContact CD1-OE1 3.49Å; T382-E385 PolarHBondContact O-N 2.92Å; E385-L447 WeakPolarHBondContact O-CA 3.4Å; E385-L447 WeakPolarHBondContact O-CD1 3.4Å; E385-G448 WeakPolarHBondContact CB-O 3.26Å; E385-G448 PolarHBondContact N-O 3Å; E385-G448 PolarHBondContact O-N 2.7Å; E385-G448 VanDerWaalsContact O-O 3.1Å; E385-N450 VanDerWaalsContact OE2-CA 3.28Å; E385-N450 WeakPolarHBondContact OE2-CA 3.48Å; E385-N450 PolarHBondContact OE2-N 3.42Å; E385-A451 HydrophobicContact CB-CB 3.56Å; E385-A451 WeakPolarHBondContact O-CB 3.39Å; E385-A451 PolarHBondContact OE2-N 2.82Å
386	Y	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.7	175.9	170.8	-146.2	0	0	0	110.2	L234 F237 M241 V245 T379 V380 C388 H445 F446	L234-Y386 HydrophobicContact CD1-CD1 4.16Å; F237-Y386 HydrophobicContact CB-CE1 4.06Å; F237-Y386 HydrophobicContact CD1-CD1 4.27Å; F237-Y386 AromaticContact CD1-CE1 3.51Å; F237-Y386 HydrophobicContact CD1-CE1 3.51Å; F237-Y386 HydrophobicContact CE1-CE1 4.32Å; F237-Y386 HydrophobicContact CG-CE1 4.15Å; M241-Y386 HydrophobicContact CB-CD2 4.32Å; M241-Y386 HydrophobicContact CB-CE1 4.03Å; M241-Y386 HydrophobicContact CB-CE2 3.77Å; M241-Y386 HydrophobicContact CE-CD2 4.2Å; M241-Y386 HydrophobicContact CE-CE2 4.09Å; M241-Y386 HydrophobicContact CG-CE2 3.97Å; V245-Y386 HydrophobicContact CG2-CD1 4.37Å; V245-Y386 HydrophobicContact CG2-CG 4.32Å; T379-Y386 CarbonylContact C-O 3.57Å; T379-Y386 VanDerWaalsContact CA-O 3.26Å; T379-Y386 WeakPolarHBondContact CA-O 3.43Å; V380-Y386 HydrophobicContact CG2-CD1 4.44Å; V380-Y386 PolarHBondContact N-O 2.75Å; V380-Y386 PolarHBondContact O-N 2.9Å; Y386-C388 HydrophobicContact CE2-CB 3.74Å; Y386-H445 HydrophobicContact CE2-CB 4.08Å; Y386-H445 AromaticContact CE2-ND1 3.94Å; Y386-H445 AromaticContact CZ-ND1 3.84Å; Y386-H445 PolarHBondContact OH-ND1 3.36Å; Y386-F446 WeakPolarHBondContact CA-O 3.28Å
387	G	98.9	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.8	174.5	0	0	0	0	0	111.1	T378 F446 T455	T378-G387 WeakPolarHBondContact O-CA 3.46Å; G387-F446 PolarHBondContact N-O 2.81Å; G387-F446 PolarHBondContact O-N 3.17Å; G387-T455 WeakPolarHBondContact CA-OG1 3.32Å
388	C	98.9	Very high	98.7	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.081	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.5	174.9	63.8	0	0	0	0	113.4	P377 T378 Y386 L444	P377-C388 WeakPolarHBondContact CA-O 3.4Å; T378-C388 WeakPolarHBondContact CG2-SG 3.47Å; T378-C388 PolarHBondContact N-O 3.34Å; T378-C388 PolarHBondContact O-N 2.96Å; Y386-C388 HydrophobicContact CE2-CB 3.74Å; C388-L444 CarbonylContact C-O 3.48Å; C388-L444 WeakPolarHBondContact CA-O 3.32Å; C388-L444 WeakPolarHBondContact CB-O 3.49Å
389	V	98.8	Very high	98.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.9	174	55	0	0	0	0	109.5	N375 P377 G443 L444 T455 A459 I462	N375-V389 VanDerWaalsContact O-CG2 3.31Å; N375-V389 WeakPolarHBondContact O-CG2 3.43Å; P377-V389 HydrophobicContact CB-CB 3.98Å; P377-V389 HydrophobicContact CB-CG2 4.15Å; V389-G443 CarbonylContact O-C 3.56Å; V389-G443 VanDerWaalsContact O-CA 3.25Å; V389-G443 WeakPolarHBondContact O-CA 3.48Å; V389-L444 HydrophobicContact CG1-CB 4.02Å; V389-L444 PolarHBondContact N-O 3.13Å; V389-L444 PolarHBondContact O-N 3.27Å; V389-T455 HydrophobicContact CB-CG2 4.19Å; V389-T455 HydrophobicContact CG1-CG2 3.97Å; V389-A459 HydrophobicContact CB-CB 4.36Å; V389-A459 HydrophobicContact CG1-CB 4.43Å; V389-A459 HydrophobicContact CG2-CB 3.91Å; V389-I462 HydrophobicContact CB-CD1 4.47Å; V389-I462 HydrophobicContact CG1-CD1 3.54Å; V389-I462 HydrophobicContact CG2-CD1 4.28Å
390	G	98.3	Very high	98.7	Very high	30 Å²	30	35 Å²	35	31%	0.309	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.3	-154.5	-178.2	0	0	0	0	0	113.1	L442	G390-L442 CarbonylContact C-O 3.58Å; G390-L442 VanDerWaalsContact CA-O 3.3Å; G390-L442 WeakPolarHBondContact CA-O 3.41Å
391	L	98.6	Very high	98.7	Very high	20 Å²	20	36 Å²	36	11%	0.105	20%	0.198	C	C	.	.			trans	-79.8	143.7	-175.5	-55.6	-175.2	0	0	0	111.6	E395 A396 L442 H445	L391-E395 HydrophobicContact CD2-CG 4.02Å; L391-A396 HydrophobicContact CB-CB 4.18Å; L391-A396 HydrophobicContact CD1-CB 4.15Å; L391-L442 HydrophobicContact CD1-CB 4.27Å; L391-L442 HydrophobicContact CD1-CD1 4.5Å; L391-L442 HydrophobicContact CG-CB 4.5Å; L391-L442 PolarHBondContact N-O 3.02Å; L391-H445 PolarHBondContact O-NE2 3.27Å
392	S	98.8	Very high	98.6	Very high	18 Å²	18	41.6 Å²	41.6	13%	0.126	23%	0.225	C	C	.	.			trans	-70.2	163.5	161	79.2	0	0	0	0	110.9	E394 E395 A396	S392-E394 WeakPolarHBondContact CB-OE2 3.41Å; S392-E394 PolarHBondContact O-N 2.82Å; S392-E394 WeakPolarHBondContact OG-CG 3.39Å; S392-E394 PolarHBondContact OG-OE2 3.21Å; S392-E395 PolarHBondContact O-N 3.06Å; S392-E395 WeakPolarHBondContact OG-CB 3.06Å; S392-E395 PolarHBondContact OG-N 2.98Å; S392-A396 WeakPolarHBondContact O-CB 3.47Å; S392-A396 PolarHBondContact O-N 3.02Å
393	E	98.8	Very high	98.6	Very high	67 Å²	67	47 Å²	47	31%	0.313	25%	0.25	S	C	.	.	H	α-helix	trans	-61	-44.7	180	-176.8	177.7	154.6	0	0	111.9	D238 E395 A396 V397 V407 K430 V432	D238-E393 WeakPolarHBondContact OD2-CB 2.98Å; D238-E393 PolarHBondContact OD2-N 2.79Å; E393-E395 VanDerWaalsContact C-N 3.31Å; E393-E395 PolarHBondContact O-N 2.65Å; E393-A396 PolarHBondContact O-N 2.84Å; E393-V397 WeakPolarHBondContact O-CB 3.44Å; E393-V397 WeakPolarHBondContact O-CG2 3.29Å; E393-V397 PolarHBondContact O-N 3.26Å; E393-V407 HydrophobicContact CG-CG2 4Å; E393-K430 IonicContact OE2-NZ 3.04Å; E393-K430 PolarHBondContact OE2-NZ 2.87Å; E393-V432 HydrophobicContact CB-CG2 4.15Å
394	E	98.7	Very high	98.6	Very high	78 Å²	78	49.2 Å²	49.2	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-35.2	178.2	61.6	-87	-119.5	0	0	112.7	Q239 S392 A398	Q239-E394 WeakPolarHBondContact CG-OE1 3.13Å; Q239-E394 PolarHBondContact N-OE1 3.47Å; S392-E394 WeakPolarHBondContact CB-OE2 3.41Å; S392-E394 PolarHBondContact O-N 2.82Å; S392-E394 WeakPolarHBondContact OG-CG 3.39Å; S392-E394 PolarHBondContact OG-OE2 3.21Å; E394-A398 VanDerWaalsContact O-CB 3.26Å; E394-A398 WeakPolarHBondContact O-CB 3.25Å; E394-A398 PolarHBondContact O-N 2.89Å
395	E	98.4	Very high	98.6	Very high	78 Å²	78	49.6 Å²	49.6	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-74	-40.2	176.8	-174	69.3	-165.9	0	0	111.2	L391 S392 E393 A398 R399	L391-E395 HydrophobicContact CD2-CG 4.02Å; S392-E395 PolarHBondContact O-N 3.06Å; S392-E395 WeakPolarHBondContact OG-CB 3.06Å; S392-E395 PolarHBondContact OG-N 2.98Å; E393-E395 VanDerWaalsContact C-N 3.31Å; E393-E395 PolarHBondContact O-N 2.65Å; E395-A398 PolarHBondContact O-N 2.85Å; E395-R399 WeakPolarHBondContact O-CB 3.45Å; E395-R399 VanDerWaalsContact O-CG 3.28Å; E395-R399 WeakPolarHBondContact O-CG 3.3Å; E395-R399 PolarHBondContact O-N 2.85Å; E395-R399 IonicContact OE1-CZ 2.98Å; E395-R399 IonicContact OE1-NE 3.54Å; E395-R399 PolarHBondContact OE1-NE 3.12Å; E395-R399 IonicContact OE1-NH2 2.67Å; E395-R399 PolarHBondContact OE1-NH2 2.87Å
396	A	98.6	Very high	98.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175.1	0	0	0	0	0	111.3	L391 S392 E393 R399 H400 V405 V432 L442	L391-A396 HydrophobicContact CB-CB 4.18Å; L391-A396 HydrophobicContact CD1-CB 4.15Å; S392-A396 WeakPolarHBondContact O-CB 3.47Å; S392-A396 PolarHBondContact O-N 3.02Å; E393-A396 PolarHBondContact O-N 2.84Å; A396-R399 PolarHBondContact O-N 2.94Å; A396-H400 WeakPolarHBondContact O-CB 3.29Å; A396-H400 PolarHBondContact O-CD2 3.4Å; A396-H400 PolarHBondContact O-N 3.05Å; A396-V405 HydrophobicContact CB-CG1 4.42Å; A396-V405 HydrophobicContact CB-CG2 4.18Å; A396-V432 HydrophobicContact CB-CG1 3.51Å; A396-L442 HydrophobicContact CB-CD1 4.09Å
397	V	98.7	Very high	98.6	Very high	45 Å²	45	53.9 Å²	53.9	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-42.5	175.6	170.5	0	0	0	0	111.1	E393 R399 G401 Q402 V405	E393-V397 WeakPolarHBondContact O-CB 3.44Å; E393-V397 WeakPolarHBondContact O-CG2 3.29Å; E393-V397 PolarHBondContact O-N 3.26Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.85Å; V397-G401 VanDerWaalsContact O-CA 3.3Å; V397-G401 WeakPolarHBondContact O-CA 3.34Å; V397-G401 PolarHBondContact O-N 2.93Å; V397-Q402 HydrophobicContact CG1-CB 3.93Å; V397-V405 HydrophobicContact CG2-CB 4.24Å; V397-V405 HydrophobicContact CG2-CG1 4.33Å; V397-V405 HydrophobicContact CG2-CG2 4.24Å
398	A	98.6	Very high	98.6	Very high	80 Å²	80	59.3 Å²	59.3	66%	0.661	30%	0.304	S	S	*	.	H	α-helix	trans	-62.3	-35.6	177.1	0	0	0	0	0	112.8	E394 E395	E394-A398 VanDerWaalsContact O-CB 3.26Å; E394-A398 WeakPolarHBondContact O-CB 3.25Å; E394-A398 PolarHBondContact O-N 2.89Å; E395-A398 PolarHBondContact O-N 2.85Å
399	R	98.3	Very high	98.6	Very high	152 Å²	152	64.6 Å²	64.6	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-82.8	-36.1	-178.9	-71.2	-179.2	-169.6	-162.3	6.4	114.1	E395 A396 V397	E395-R399 WeakPolarHBondContact O-CB 3.45Å; E395-R399 VanDerWaalsContact O-CG 3.28Å; E395-R399 WeakPolarHBondContact O-CG 3.3Å; E395-R399 PolarHBondContact O-N 2.85Å; E395-R399 IonicContact OE1-CZ 2.98Å; E395-R399 IonicContact OE1-NE 3.54Å; E395-R399 PolarHBondContact OE1-NE 3.12Å; E395-R399 IonicContact OE1-NH2 2.67Å; E395-R399 PolarHBondContact OE1-NH2 2.87Å; A396-R399 PolarHBondContact O-N 2.94Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.85Å
400	H	98.3	Very high	98.6	Very high	72 Å²	72	66.7 Å²	66.7	33%	0.333	34%	0.344	S	S	.	.	H	α-helix	trans	-116	-14.2	-168.4	-59.7	-71.6	0	0	0	114	A396 H404 V405 L434	A396-H400 WeakPolarHBondContact O-CB 3.29Å; A396-H400 PolarHBondContact O-CD2 3.4Å; A396-H400 PolarHBondContact O-N 3.05Å; H400-H404 HydrophobicContact CB-CB 4.45Å; H400-H404 WeakPolarHBondContact O-CB 3.28Å; H400-H404 PolarHBondContact O-ND1 2.92Å; H400-V405 HydrophobicContact CB-CG2 4.15Å; H400-L434 HydrophobicContact CB-CD2 4.33Å
401	G	98.4	Very high	98.6	Very high	21 Å²	21	70.8 Å²	70.8	22%	0.216	36%	0.355	C	S	.	.			trans	86.2	142.6	-172.1	0	0	0	0	0	112	V397 E403 H404 V405	V397-G401 VanDerWaalsContact O-CA 3.3Å; V397-G401 WeakPolarHBondContact O-CA 3.34Å; V397-G401 PolarHBondContact O-N 2.93Å; G401-E403 PolarHBondContact O-N 3.39Å; G401-H404 PolarHBondContact O-N 3.18Å; G401-V405 PolarHBondContact O-N 3.03Å
402	Q	98.3	Very high	98.6	Very high	152 Å²	152	73 Å²	73	71%	0.71	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-60.4	-35	-174.1	-176.6	176.8	-7.5	0	0	112.3	V397 H404 V405	V397-Q402 HydrophobicContact CG1-CB 3.93Å; Q402-H404 PolarHBondContact O-N 3.34Å; Q402-V405 PolarHBondContact O-N 3.13Å
403	E	98.3	Very high	98.6	Very high	114 Å²	114	77.2 Å²	77.2	53%	0.533	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-68.4	-19.8	179.4	69.6	-78.5	-170.3	0	0	113.8	G401 R435	G401-E403 PolarHBondContact O-N 3.39Å; E403-R435 WeakPolarHBondContact O-CD 3.44Å; E403-R435 PolarHBondContact O-NH1 3.44Å
404	H	98.6	Very high	98.6	Very high	80 Å²	80	74.4 Å²	74.4	37%	0.37	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-104	3.9	-179.1	-53.7	108	0	0	0	113.6	H400 G401 Q402 R435	H400-H404 HydrophobicContact CB-CB 4.45Å; H400-H404 WeakPolarHBondContact O-CB 3.28Å; H400-H404 PolarHBondContact O-ND1 2.92Å; G401-H404 PolarHBondContact O-N 3.18Å; Q402-H404 PolarHBondContact O-N 3.34Å; H404-R435 VanDerWaalsContact C-CB 3.49Å; H404-R435 WeakPolarHBondContact O-CB 3.4Å; H404-R435 PolarHBondContact O-N 3.15Å
405	V	98.8	Very high	98.6	Very high	13 Å²	13	77 Å²	77	8%	0.079	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.7	177.3	176.4	0	0	0	0	109.7	A396 V397 H400 G401 Q402 V407 V432 C433	A396-V405 HydrophobicContact CB-CG1 4.42Å; A396-V405 HydrophobicContact CB-CG2 4.18Å; V397-V405 HydrophobicContact CG2-CB 4.24Å; V397-V405 HydrophobicContact CG2-CG1 4.33Å; V397-V405 HydrophobicContact CG2-CG2 4.24Å; H400-V405 HydrophobicContact CB-CG2 4.15Å; G401-V405 PolarHBondContact O-N 3.03Å; Q402-V405 PolarHBondContact O-N 3.13Å; V405-V407 HydrophobicContact CG1-CG2 4.1Å; V405-V432 HydrophobicContact CG1-CG1 3.83Å; V405-C433 WeakPolarHBondContact CA-O 3.41Å
406	E	98.8	Very high	98.6	Very high	62 Å²	62	79 Å²	79	29%	0.29	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	172.8	-166.6	71.8	-133.7	0	0	108.6	Y408 C433 R435	E406-Y408 HydrophobicContact CG-CE2 4.16Å; E406-C433 PolarHBondContact N-O 2.95Å; E406-C433 PolarHBondContact O-N 2.82Å; E406-R435 HydrophobicContact CB-CB 4.16Å; E406-R435 HydrophobicContact CB-CG 4.16Å; E406-R435 WeakPolarHBondContact OE2-CG 3.16Å; E406-R435 IonicContact OE2-CZ 2.69Å; E406-R435 IonicContact OE2-NE 2.92Å; E406-R435 PolarHBondContact OE2-NE 3.48Å; E406-R435 IonicContact OE2-NH2 2.81Å
407	V	98.9	Very high	98.6	Very high	36 Å²	36	79.5 Å²	79.5	22%	0.218	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.9	-176.3	-176.2	0	0	0	0	109.8	E393 V405 K430 M431 V432	E393-V407 HydrophobicContact CG-CG2 4Å; V405-V407 HydrophobicContact CG1-CG2 4.1Å; V407-K430 HydrophobicContact CG1-CB 4.14Å; V407-K430 HydrophobicContact CG1-CD 4.17Å; V407-M431 WeakPolarHBondContact CA-O 3.44Å; V407-V432 HydrophobicContact CG2-CG2 4.49Å
408	Y	98.9	Very high	98.6	Very high	113 Å²	113	80.7 Å²	80.7	44%	0.443	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.3	170.3	-65.6	-83.4	0	0	0	109	E406 K430 M431 Q439	E406-Y408 HydrophobicContact CG-CE2 4.16Å; Y408-K430 CarbonylContact O-C 3.57Å; Y408-K430 WeakPolarHBondContact O-CA 3.44Å; Y408-M431 PolarHBondContact N-O 2.85Å; Y408-M431 PolarHBondContact O-N 3.04Å; Y408-Q439 PolarHBondContact OH-NE2 3.44Å; Y408-Q439 PolarHBondContact OH-OE1 2.67Å
409	H	98.8	Very high	98.6	Very high	123 Å²	123	80.4 Å²	80.4	57%	0.569	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.8	-179.3	73	129.5	0	0	0	113.8	Y428 V429 K430	H409-Y428 HydrophobicContact CB-CE2 3.76Å; H409-Y428 WeakPolarHBondContact CB-OH 3.4Å; H409-Y428 AromaticContact CG-CE2 3.99Å; H409-Y428 VanDerWaalsContact CG-OH 3.29Å; H409-Y428 AromaticContact ND1-CE2 3.45Å; H409-Y428 WeakPolarHBondContact ND1-CE2 3.3Å; H409-Y428 AromaticContact ND1-CZ 3.63Å; H409-Y428 PolarHBondContact ND1-OH 2.73Å; H409-V429 CarbonylContact C-O 3.14Å; H409-V429 VanDerWaalsContact CA-O 3.24Å; H409-V429 WeakPolarHBondContact CA-O 3.33Å; H409-K430 HydrophobicContact CB-CB 3.82Å
410	A	98.8	Very high	98.6	Very high	46 Å²	46	73.5 Å²	73.5	38%	0.38	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	139.4	177.1	0	0	0	0	0	111.8	Y428 V429	A410-Y428 WeakPolarHBondContact O-CA 3.38Å; A410-Y428 VanDerWaalsContact O-CD2 3.3Å; A410-Y428 WeakPolarHBondContact O-CD2 3.4Å; A410-V429 HydrophobicContact CB-CG1 4.15Å; A410-V429 PolarHBondContact N-O 2.91Å; A410-V429 PolarHBondContact O-N 3.1Å
411	H	98.8	Very high	98.6	Very high	117 Å²	117	73 Å²	73	54%	0.542	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	146.7	155.5	-75.3	-86.3	0	0	0	109.3	S425 C427 Y428	H411-S425 PolarHBondContact CE1-O 3.07Å; H411-S425 PolarHBondContact ND1-O 2.6Å; H411-C427 WeakPolarHBondContact CA-O 3.45Å; H411-Y428 AromaticContact CD2-CD2 3.77Å; H411-Y428 AromaticContact CE1-CD2 3.8Å; H411-Y428 AromaticContact CG-CD2 3.98Å; H411-Y428 AromaticContact ND1-CD2 3.98Å; H411-Y428 AromaticContact NE2-CD2 3.66Å
412	Y	98.8	Very high	98.5	Very high	65 Å²	65	74.9 Å²	74.9	26%	0.255	38%	0.381	S	S	.	.			trans	-145.1	163.6	178.4	74.1	-79.6	0	0	0	110.8	P414 C427 F446 L447 G448	Y412-P414 HydrophobicContact CD2-CG 4.5Å; Y412-P414 HydrophobicContact CE2-CG 3.92Å; Y412-C427 HydrophobicContact CD1-CB 4.12Å; Y412-C427 HydrophobicContact CE1-CB 3.85Å; Y412-C427 HydrophobicContact CE2-CB 4.32Å; Y412-C427 HydrophobicContact CG-CB 4.44Å; Y412-C427 PolarHBondContact N-O 2.88Å; Y412-C427 WeakPolarHBondContact O-CB 3.46Å; Y412-F446 HydrophobicContact CE1-CE2 4.09Å; Y412-F446 AromaticContact CZ-CE2 3.74Å; Y412-F446 AromaticContact CZ-CZ 3.87Å; Y412-F446 VanDerWaalsContact OH-CE2 3.25Å; Y412-F446 WeakPolarHBondContact OH-CE2 3.04Å; Y412-F446 WeakPolarHBondContact OH-CZ 3.36Å; Y412-L447 PolarHBondContact OH-O 3.26Å; Y412-G448 VanDerWaalsContact OH-CA 3.22Å; Y412-G448 WeakPolarHBondContact OH-CA 3.25Å
413	K	98.7	Very high	98.4	Very high	107 Å²	107	70.7 Å²	70.7	47%	0.465	36%	0.363	S	S	.	.			trans	-120.2	118.2	173.9	-175.4	161.3	-171.6	172	0	109.1	L415 F417 T418 A424	K413-L415 PolarHBondContact O-N 3.47Å; K413-F417 WeakPolarHBondContact CE-O 3.47Å; K413-F417 HydrophobicContact CG-CB 4.3Å; K413-T418 HydrophobicContact CD-CG2 4.08Å; K413-T418 HydrophobicContact CG-CG2 4.18Å; K413-A424 HydrophobicContact CB-CB 4.04Å; K413-A424 HydrophobicContact CD-CB 4.14Å; K413-A424 HydrophobicContact CG-CB 3.75Å
414	P	98.8	Very high	98.4	Very high	9 Å²	9	66 Å²	66	6%	0.058	35%	0.345	C	S	.	.			trans	-53.4	138	169.5	-24.2	32.8	0	0	0	110.1	Y412 E416 F417 P449	Y412-P414 HydrophobicContact CD2-CG 4.5Å; Y412-P414 HydrophobicContact CE2-CG 3.92Å; P414-E416 PolarHBondContact O-N 2.9Å; P414-F417 HydrophobicContact CB-CB 4.31Å; P414-F417 HydrophobicContact CB-CD1 4.02Å; P414-F417 HydrophobicContact CB-CD2 4.47Å; P414-F417 HydrophobicContact CB-CE1 4.48Å; P414-F417 HydrophobicContact CB-CG 4.01Å; P414-F417 HydrophobicContact CG-CD1 4.29Å; P414-F417 HydrophobicContact CG-CD2 4.01Å; P414-F417 HydrophobicContact CG-CE1 4.47Å; P414-F417 HydrophobicContact CG-CE2 4.2Å; P414-F417 HydrophobicContact CG-CG 4.05Å; P414-F417 HydrophobicContact CG-CZ 4.43Å; P414-F417 WeakPolarHBondContact O-CB 3.37Å; P414-F417 PolarHBondContact O-N 2.9Å; P414-P449 HydrophobicContact CB-CG 4.22Å; P414-P449 HydrophobicContact CG-CG 3.82Å
415	L	98.6	Very high	98.4	Very high	131 Å²	131	65.6 Å²	65.6	69%	0.686	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-37.1	-177.4	-178.2	60.4	0	0	0	110.6	K413 F417 T418	K413-L415 PolarHBondContact O-N 3.47Å; L415-F417 PolarHBondContact O-N 3.18Å; L415-T418 WeakPolarHBondContact O-CB 3.46Å; L415-T418 PolarHBondContact O-N 2.93Å; L415-T418 VanDerWaalsContact O-N 3.07Å; L415-T418 PolarHBondContact O-OG1 2.68Å
416	E	98.5	Very high	98.3	Very high	122 Å²	122	66 Å²	66	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-60.8	-28	177	-57.8	76.8	-169.1	0	0	112.4	Y94 P414 T418 A420	Y94-E416 WeakPolarHBondContact OH-CA 3.43Å; Y94-E416 PolarHBondContact OH-O 2.94Å; P414-E416 PolarHBondContact O-N 2.9Å; E416-T418 VanDerWaalsContact C-N 3.26Å; E416-T418 PolarHBondContact O-N 3.48Å; E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.36Å; E416-A420 PolarHBondContact O-N 3.49Å
417	F	98.6	Very high	98.3	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-77.8	-13.9	179.8	-76	20.1	0	0	0	112.4	K413 P414 L415 G421 R422 D423 A424	K413-F417 WeakPolarHBondContact CE-O 3.47Å; K413-F417 HydrophobicContact CG-CB 4.3Å; P414-F417 HydrophobicContact CB-CB 4.31Å; P414-F417 HydrophobicContact CB-CD1 4.02Å; P414-F417 HydrophobicContact CB-CD2 4.47Å; P414-F417 HydrophobicContact CB-CE1 4.48Å; P414-F417 HydrophobicContact CB-CG 4.01Å; P414-F417 HydrophobicContact CG-CD1 4.29Å; P414-F417 HydrophobicContact CG-CD2 4.01Å; P414-F417 HydrophobicContact CG-CE1 4.47Å; P414-F417 HydrophobicContact CG-CE2 4.2Å; P414-F417 HydrophobicContact CG-CG 4.05Å; P414-F417 HydrophobicContact CG-CZ 4.43Å; P414-F417 WeakPolarHBondContact O-CB 3.37Å; P414-F417 PolarHBondContact O-N 2.9Å; L415-F417 PolarHBondContact O-N 3.18Å; F417-G421 PolarHBondContact O-N 3.01Å; F417-R422 HydrophobicContact CB-CB 3.86Å; F417-R422 HydrophobicContact CD1-CB 4.12Å; F417-R422 HydrophobicContact CD1-CG 4.49Å; F417-R422 HydrophobicContact CD2-CB 3.71Å; F417-R422 HydrophobicContact CE2-CB 4.26Å; F417-R422 HydrophobicContact CG-CB 3.63Å; F417-R422 HydrophobicContact CG-CG 4.46Å; F417-R422 PolarHBondContact O-N 3.19Å; F417-D423 WeakPolarHBondContact CD2-O 3.26Å; F417-A424 HydrophobicContact CD2-CB 4.28Å
418	T	98.4	Very high	98.3	Very high	69 Å²	69	61.6 Å²	61.6	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-70.7	-56.7	-177.7	62.7	0	0	0	0	111.6	K413 L415 E416 G421	K413-T418 HydrophobicContact CD-CG2 4.08Å; K413-T418 HydrophobicContact CG-CG2 4.18Å; L415-T418 WeakPolarHBondContact O-CB 3.46Å; L415-T418 PolarHBondContact O-N 2.93Å; L415-T418 VanDerWaalsContact O-N 3.07Å; L415-T418 PolarHBondContact O-OG1 2.68Å; E416-T418 VanDerWaalsContact C-N 3.26Å; E416-T418 PolarHBondContact O-N 3.48Å; T418-G421 PolarHBondContact O-N 3.2Å
419	V	98.5	Very high	98.3	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-70	-40.8	177.9	174.1	0	0	0	0	110.6	N93 Y94 G421	N93-V419 HydrophobicContact CB-CG1 4.45Å; N93-V419 WeakPolarHBondContact CB-O 3.36Å; N93-V419 VanDerWaalsContact O-CG1 3.26Å; N93-V419 WeakPolarHBondContact O-CG1 3.42Å; Y94-V419 HydrophobicContact CD1-CB 4.49Å; Y94-V419 HydrophobicContact CD1-CG1 3.91Å; Y94-V419 HydrophobicContact CD2-CG1 4.04Å; Y94-V419 HydrophobicContact CE1-CB 3.83Å; Y94-V419 HydrophobicContact CE1-CG1 3.75Å; Y94-V419 HydrophobicContact CE1-CG2 4.3Å; Y94-V419 HydrophobicContact CE2-CB 3.98Å; Y94-V419 HydrophobicContact CE2-CG1 3.89Å; Y94-V419 HydrophobicContact CG-CG1 4.06Å; V419-G421 PolarHBondContact O-N 3.04Å; V419-G421 VanDerWaalsContact O-N 3.08Å
420	A	97.9	Very high	98.3	Very high	6 Å²	6	52.3 Å²	52.3	5%	0.05	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	176.2	0	0	0	0	0	113.9	D90 N93 Y94 E416 R422	D90-A420 HydrophobicContact CB-CB 3.91Å; N93-A420 PolarHBondContact ND2-O 2.95Å; Y94-A420 HydrophobicContact CE2-CB 4.06Å; E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.36Å; E416-A420 PolarHBondContact O-N 3.49Å; A420-R422 HydrophobicContact CB-CG 3.86Å; A420-R422 PolarHBondContact O-N 3.45Å
421	G	97.6	Very high	98.3	Very high	61 Å²	61	52.7 Å²	52.7	63%	0.629	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	21.8	-176.4	0	0	0	0	0	113.6	F417 T418 V419	F417-G421 PolarHBondContact O-N 3.01Å; T418-G421 PolarHBondContact O-N 3.2Å; V419-G421 PolarHBondContact O-N 3.04Å; V419-G421 VanDerWaalsContact O-N 3.08Å
422	R	96.8	Very high	98.3	Very high	61 Å²	61	47.1 Å²	47.1	23%	0.23	26%	0.261	C	S	.	.			trans	-75.1	146.8	-178.6	-69.9	178.9	70.3	157.9	1.3	112	D90 F417 A420	D90-R422 VanDerWaalsContact OD1-CD 3.31Å; D90-R422 WeakPolarHBondContact OD1-CD 3.44Å; D90-R422 VanDerWaalsContact OD2-CD 3.31Å; D90-R422 WeakPolarHBondContact OD2-CD 3.38Å; D90-R422 IonicContact OD2-CZ 3.55Å; D90-R422 IonicContact OD2-NH1 2.71Å; D90-R422 PolarHBondContact OD2-NH1 3.27Å; F417-R422 HydrophobicContact CB-CB 3.86Å; F417-R422 HydrophobicContact CD1-CB 4.12Å; F417-R422 HydrophobicContact CD1-CG 4.49Å; F417-R422 HydrophobicContact CD2-CB 3.71Å; F417-R422 HydrophobicContact CE2-CB 4.26Å; F417-R422 HydrophobicContact CG-CB 3.63Å; F417-R422 HydrophobicContact CG-CG 4.46Å; F417-R422 PolarHBondContact O-N 3.19Å; A420-R422 HydrophobicContact CB-CG 3.86Å; A420-R422 PolarHBondContact O-N 3.45Å
423	D	97.1	Very high	98.4	Very high	64 Å²	64	44.2 Å²	44.2	34%	0.342	25%	0.25	S	C	.	.			trans	-66	137.8	169.5	-179.4	45.3	0	0	0	110.6	F417 S425 Q426	F417-D423 WeakPolarHBondContact CD2-O 3.26Å; D423-S425 WeakPolarHBondContact OD1-CB 3.25Å; D423-S425 PolarHBondContact OD1-N 3Å; D423-S425 VanDerWaalsContact OD1-N 3.11Å; D423-S425 PolarHBondContact OD1-OG 3.08Å; D423-S425 WeakPolarHBondContact OD2-CB 3.05Å; D423-S425 PolarHBondContact OD2-N 3.35Å; D423-S425 PolarHBondContact OD2-OG 2.85Å; D423-Q426 PolarHBondContact OD2-OE1 3.5Å
424	A	98.1	Very high	98.4	Very high	17 Å²	17	41.5 Å²	41.5	14%	0.14	24%	0.24	C	C	.	.			trans	-125.8	15.2	177.3	0	0	0	0	0	111.6	K413 F417 Q426 C427	K413-A424 HydrophobicContact CB-CB 4.04Å; K413-A424 HydrophobicContact CD-CB 4.14Å; K413-A424 HydrophobicContact CG-CB 3.75Å; F417-A424 HydrophobicContact CD2-CB 4.28Å; A424-Q426 PolarHBondContact O-N 3.38Å; A424-Q426 VanDerWaalsContact O-N 3.12Å; A424-C427 HydrophobicContact CB-CB 4.28Å; A424-C427 WeakPolarHBondContact O-CB 2.97Å; A424-C427 PolarHBondContact O-N 3.33Å
425	S	97.4	Very high	98.3	Very high	71 Å²	71	46.9 Å²	46.9	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34	-174.7	-65	0	0	0	0	112.7	H411 D423	H411-S425 PolarHBondContact CE1-O 3.07Å; H411-S425 PolarHBondContact ND1-O 2.6Å; D423-S425 WeakPolarHBondContact OD1-CB 3.25Å; D423-S425 PolarHBondContact OD1-N 3Å; D423-S425 VanDerWaalsContact OD1-N 3.11Å; D423-S425 PolarHBondContact OD1-OG 3.08Å; D423-S425 WeakPolarHBondContact OD2-CB 3.05Å; D423-S425 PolarHBondContact OD2-N 3.35Å; D423-S425 PolarHBondContact OD2-OG 2.85Å
426	Q	98.4	Very high	98.3	Very high	21 Å²	21	47.5 Å²	47.5	10%	0.098	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	5.7	178.4	-54	80.2	26.6	0	0	114.2	M244 E247 H248 L384 D423 A424 Y428 L447	M244-Q426 HydrophobicContact CB-CB 4.38Å; E247-Q426 HydrophobicContact CB-CG 4.34Å; H248-Q426 HydrophobicContact CB-CB 4.14Å; H248-Q426 HydrophobicContact CB-CG 4Å; H248-Q426 PolarHBondContact ND1-OE1 3.26Å; H248-Q426 VanDerWaalsContact ND1-OE1 3.14Å; L384-Q426 HydrophobicContact CD2-CB 4.01Å; D423-Q426 PolarHBondContact OD2-OE1 3.5Å; A424-Q426 PolarHBondContact O-N 3.38Å; A424-Q426 VanDerWaalsContact O-N 3.12Å; Q426-Y428 PolarHBondContact O-N 3.07Å; Q426-Y428 VanDerWaalsContact O-N 3.09Å; Q426-L447 HydrophobicContact CB-CD2 4.18Å; Q426-L447 VanDerWaalsContact O-CD2 3.24Å; Q426-L447 WeakPolarHBondContact O-CD2 3.49Å; Q426-L447 WeakPolarHBondContact O-CG 3.44Å
427	C	98.8	Very high	98.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	27%	0.269	C	S	.	.			trans	-71.5	105.7	170.6	-75.9	0	0	0	0	108.7	H411 Y412 A424 L447	H411-C427 WeakPolarHBondContact CA-O 3.45Å; Y412-C427 HydrophobicContact CD1-CB 4.12Å; Y412-C427 HydrophobicContact CE1-CB 3.85Å; Y412-C427 HydrophobicContact CE2-CB 4.32Å; Y412-C427 HydrophobicContact CG-CB 4.44Å; Y412-C427 PolarHBondContact N-O 2.88Å; Y412-C427 WeakPolarHBondContact O-CB 3.46Å; A424-C427 HydrophobicContact CB-CB 4.28Å; A424-C427 WeakPolarHBondContact O-CB 2.97Å; A424-C427 PolarHBondContact O-N 3.33Å; C427-L447 WeakPolarHBondContact CA-O 3.03Å
428	Y	98.9	Very high	98.2	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.3	-167.8	179.6	-105.2	0	0	0	110.9	Q240 M241 M244 H409 A410 H411 Q426 K430 L447	Q240-Y428 PolarHBondContact NE2-OH 2.99Å; M241-Y428 HydrophobicContact CE-CD1 3.98Å; M241-Y428 HydrophobicContact SD-CD1 3.61Å; M241-Y428 HydrophobicContact SD-CE1 3.73Å; M244-Y428 HydrophobicContact CE-CD1 3.86Å; M244-Y428 HydrophobicContact CE-CD2 4.21Å; M244-Y428 HydrophobicContact CE-CE1 4.09Å; M244-Y428 HydrophobicContact CE-CE2 4.45Å; M244-Y428 HydrophobicContact CE-CG 3.9Å; M244-Y428 HydrophobicContact SD-CD1 3.62Å; M244-Y428 HydrophobicContact SD-CE1 4.34Å; M244-Y428 HydrophobicContact SD-CG 3.74Å; H409-Y428 HydrophobicContact CB-CE2 3.76Å; H409-Y428 WeakPolarHBondContact CB-OH 3.4Å; H409-Y428 AromaticContact CG-CE2 3.99Å; H409-Y428 VanDerWaalsContact CG-OH 3.29Å; H409-Y428 AromaticContact ND1-CE2 3.45Å; H409-Y428 WeakPolarHBondContact ND1-CE2 3.3Å; H409-Y428 AromaticContact ND1-CZ 3.63Å; H409-Y428 PolarHBondContact ND1-OH 2.73Å; A410-Y428 WeakPolarHBondContact O-CA 3.38Å; A410-Y428 VanDerWaalsContact O-CD2 3.3Å; A410-Y428 WeakPolarHBondContact O-CD2 3.4Å; H411-Y428 AromaticContact CD2-CD2 3.77Å; H411-Y428 AromaticContact CE1-CD2 3.8Å; H411-Y428 AromaticContact CG-CD2 3.98Å; H411-Y428 AromaticContact ND1-CD2 3.98Å; H411-Y428 AromaticContact NE2-CD2 3.66Å; Q426-Y428 PolarHBondContact O-N 3.07Å; Q426-Y428 VanDerWaalsContact O-N 3.09Å; Y428-K430 HydrophobicContact CE1-CB 3.96Å; Y428-K430 HydrophobicContact CE1-CD 4.19Å; Y428-K430 HydrophobicContact CE1-CG 4.12Å; Y428-L447 PolarHBondContact N-O 3.29Å; Y428-L447 VanDerWaalsContact N-O 3.12Å; Y428-L447 PolarHBondContact O-N 3.34Å
429	V	98.9	Very high	98.2	Very high	41 Å²	41	52.9 Å²	52.9	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.1	174.4	61.1	0	0	0	0	109.2	H409 A410 L444 H445 F446	H409-V429 CarbonylContact C-O 3.14Å; H409-V429 VanDerWaalsContact CA-O 3.24Å; H409-V429 WeakPolarHBondContact CA-O 3.33Å; A410-V429 HydrophobicContact CB-CG1 4.15Å; A410-V429 PolarHBondContact N-O 2.91Å; A410-V429 PolarHBondContact O-N 3.1Å; V429-L444 HydrophobicContact CG2-CD1 4.14Å; V429-H445 CarbonylContact C-O 3.49Å; V429-H445 WeakPolarHBondContact CA-O 3.38Å; V429-H445 WeakPolarHBondContact CG2-O 3.31Å; V429-F446 HydrophobicContact CB-CD2 4.27Å; V429-F446 HydrophobicContact CG2-CD2 4.22Å
430	K	98.8	Very high	98.2	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.7	165	70.1	173.2	-177.5	-176.4	0	112.6	D238 M241 E393 V407 Y408 H409 Y428 H445	D238-K430 WeakPolarHBondContact OD1-CE 3.12Å; D238-K430 IonicContact OD1-NZ 3.59Å; D238-K430 PolarHBondContact OD1-NZ 3.49Å; D238-K430 WeakPolarHBondContact OD2-CE 3.1Å; D238-K430 IonicContact OD2-NZ 3.76Å; D238-K430 PolarHBondContact OD2-NZ 3.15Å; M241-K430 HydrophobicContact SD-CD 4.31Å; M241-K430 HydrophobicContact SD-CG 4.1Å; E393-K430 IonicContact OE2-NZ 3.04Å; E393-K430 PolarHBondContact OE2-NZ 2.87Å; V407-K430 HydrophobicContact CG1-CB 4.14Å; V407-K430 HydrophobicContact CG1-CD 4.17Å; Y408-K430 CarbonylContact O-C 3.57Å; Y408-K430 WeakPolarHBondContact O-CA 3.44Å; H409-K430 HydrophobicContact CB-CB 3.82Å; Y428-K430 HydrophobicContact CE1-CB 3.96Å; Y428-K430 HydrophobicContact CE1-CD 4.19Å; Y428-K430 HydrophobicContact CE1-CG 4.12Å; K430-H445 HydrophobicContact CG-CB 3.84Å; K430-H445 PolarHBondContact N-O 3.32Å; K430-H445 PolarHBondContact O-N 2.98Å
431	M	98.9	Very high	98.2	Very high	54 Å²	54	56.3 Å²	56.3	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.5	177.1	-172.7	178.8	-73	0	0	108.1	V407 Y408 V441 G443 L444	V407-M431 WeakPolarHBondContact CA-O 3.44Å; Y408-M431 PolarHBondContact N-O 2.85Å; Y408-M431 PolarHBondContact O-N 3.04Å; M431-V441 HydrophobicContact CG-CG1 3.72Å; M431-V441 HydrophobicContact CG-CG2 4.22Å; M431-V441 HydrophobicContact SD-CG1 4.12Å; M431-V441 HydrophobicContact SD-CG2 3.67Å; M431-G443 CarbonylContact C-O 3.49Å; M431-G443 WeakPolarHBondContact CA-O 3.34Å; M431-L444 HydrophobicContact CB-CD1 4.21Å; M431-L444 HydrophobicContact CE-CD1 3.84Å; M431-L444 HydrophobicContact CG-CD1 4.46Å
432	V	98.9	Very high	98.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.4	-179.2	-176.6	0	0	0	0	107.6	E393 A396 V405 V407 L442 G443	E393-V432 HydrophobicContact CB-CG2 4.15Å; A396-V432 HydrophobicContact CB-CG1 3.51Å; V405-V432 HydrophobicContact CG1-CG1 3.83Å; V407-V432 HydrophobicContact CG2-CG2 4.49Å; V432-L442 HydrophobicContact CG1-CB 4.43Å; V432-L442 WeakPolarHBondContact O-CA 3.24Å; V432-L442 PolarHBondContact O-N 3.09Å; V432-G443 PolarHBondContact N-O 3.19Å; V432-G443 PolarHBondContact O-N 3.49Å
433	C	98.9	Very high	98.4	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.6	-176	-58.2	0	0	0	0	111.4	V405 E406 Q439 L440	V405-C433 WeakPolarHBondContact CA-O 3.41Å; E406-C433 PolarHBondContact N-O 2.95Å; E406-C433 PolarHBondContact O-N 2.82Å; C433-Q439 HydrophobicContact CB-CB 4.28Å; C433-L440 CarbonylContact C-O 3.52Å; C433-L440 VanDerWaalsContact CA-O 3.25Å; C433-L440 WeakPolarHBondContact CA-O 3.19Å
434	L	98.8	Very high	98.5	Very high	50 Å²	50	48.6 Å²	48.6	26%	0.262	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142.8	155.4	-70.8	178.8	0	0	0	109.1	H400 Q439 L440 L442	H400-L434 HydrophobicContact CB-CD2 4.33Å; L434-Q439 VanDerWaalsContact O-CA 3.22Å; L434-Q439 WeakPolarHBondContact O-CA 3.48Å; L434-Q439 WeakPolarHBondContact O-CB 3.3Å; L434-Q439 WeakPolarHBondContact O-CG 3.42Å; L434-L440 HydrophobicContact CB-CB 4.48Å; L434-L440 HydrophobicContact CD1-CB 4.07Å; L434-L440 HydrophobicContact CD1-CD2 4.24Å; L434-L440 HydrophobicContact CG-CB 4.41Å; L434-L440 PolarHBondContact N-O 2.93Å; L434-L442 HydrophobicContact CD2-CD1 3.88Å; L434-L442 HydrophobicContact CD2-CD2 4.5Å; L434-L442 HydrophobicContact CG-CD1 4.06Å; L434-L442 HydrophobicContact CG-CD2 4.1Å; L434-L442 HydrophobicContact CG-CG 4.21Å
435	R	98.6	Very high	98.5	Very high	123 Å²	123	48 Å²	48	46%	0.464	26%	0.26	S	S	.	.	S	Bend	trans	-75.2	-35.2	-177.3	-170.8	170.2	-157.7	-169	-1.1	113.2	E403 H404 E406 Q439	E403-R435 WeakPolarHBondContact O-CD 3.44Å; E403-R435 PolarHBondContact O-NH1 3.44Å; H404-R435 VanDerWaalsContact C-CB 3.49Å; H404-R435 WeakPolarHBondContact O-CB 3.4Å; H404-R435 PolarHBondContact O-N 3.15Å; E406-R435 HydrophobicContact CB-CB 4.16Å; E406-R435 HydrophobicContact CB-CG 4.16Å; E406-R435 WeakPolarHBondContact OE2-CG 3.16Å; E406-R435 IonicContact OE2-CZ 2.69Å; E406-R435 IonicContact OE2-NE 2.92Å; E406-R435 PolarHBondContact OE2-NE 3.48Å; E406-R435 IonicContact OE2-NH2 2.81Å; R435-Q439 WeakPolarHBondContact O-CG 3.23Å; R435-Q439 PolarHBondContact O-NE2 2.85Å
436	E	97.9	Very high	98.6	Very high	143 Å²	143	45.8 Å²	45.8	67%	0.668	24%	0.242	S	C	*	.	S	Bend	trans	-72.3	140.6	-179.3	-64	-170.4	166.1	0	0	111.6	Q439	E436-Q439 VanDerWaalsContact O-CA 3.28Å; E436-Q439 WeakPolarHBondContact O-CA 3.25Å; E436-Q439 PolarHBondContact O-N 2.8Å
437	P	97.6	Very high	98.6	Very high	121 Å²	121	44.8 Å²	44.8	79%	0.786	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	138.2	173.1	-25.8	35	0	0	0	112.3	Q439	P437-Q439 VanDerWaalsContact C-N 3.33Å
438	P	97.5	Very high	98.6	Very high	133 Å²	133	44.7 Å²	44.7	86%	0.864	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.8	16.3	11.2	36.6	-37.8	0	0	0	114.9
439	Q	98.3	Very high	98.6	Very high	60 Å²	60	46.4 Å²	46.4	28%	0.28	25%	0.248	S	C	.	.			trans	61.2	61.3	-178.8	-58.6	-175.6	-48.8	0	0	113.1	Y408 C433 L434 R435 E436 P437 V441	Y408-Q439 PolarHBondContact OH-NE2 3.44Å; Y408-Q439 PolarHBondContact OH-OE1 2.67Å; C433-Q439 HydrophobicContact CB-CB 4.28Å; L434-Q439 VanDerWaalsContact O-CA 3.22Å; L434-Q439 WeakPolarHBondContact O-CA 3.48Å; L434-Q439 WeakPolarHBondContact O-CB 3.3Å; L434-Q439 WeakPolarHBondContact O-CG 3.42Å; R435-Q439 WeakPolarHBondContact O-CG 3.23Å; R435-Q439 PolarHBondContact O-NE2 2.85Å; E436-Q439 VanDerWaalsContact O-CA 3.28Å; E436-Q439 WeakPolarHBondContact O-CA 3.25Å; E436-Q439 PolarHBondContact O-N 2.8Å; P437-Q439 VanDerWaalsContact C-N 3.33Å; Q439-V441 PolarHBondContact O-N 2.88Å
440	L	98.4	Very high	98.6	Very high	108 Å²	108	49.1 Å²	49.1	57%	0.565	26%	0.261	S	S	*	.			trans	-49.1	126.2	175.8	178.3	66.6	0	0	0	110.4	C433 L434 L442	C433-L440 CarbonylContact C-O 3.52Å; C433-L440 VanDerWaalsContact CA-O 3.25Å; C433-L440 WeakPolarHBondContact CA-O 3.19Å; L434-L440 HydrophobicContact CB-CB 4.48Å; L434-L440 HydrophobicContact CD1-CB 4.07Å; L434-L440 HydrophobicContact CD1-CD2 4.24Å; L434-L440 HydrophobicContact CG-CB 4.41Å; L434-L440 PolarHBondContact N-O 2.93Å; L440-L442 HydrophobicContact CD2-CD2 4.35Å; L440-L442 PolarHBondContact O-N 3.04Å
441	V	98.8	Very high	98.6	Very high	45 Å²	45	49 Å²	49	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.9	175.4	-178.4	0	0	0	0	108.9	M431 Q439 I462	M431-V441 HydrophobicContact CG-CG1 3.72Å; M431-V441 HydrophobicContact CG-CG2 4.22Å; M431-V441 HydrophobicContact SD-CG1 4.12Å; M431-V441 HydrophobicContact SD-CG2 3.67Å; Q439-V441 PolarHBondContact O-N 2.88Å; V441-I462 HydrophobicContact CB-CG1 4.42Å; V441-I462 HydrophobicContact CG1-CD1 4.05Å; V441-I462 HydrophobicContact CG1-CG1 4.01Å
442	L	98.6	Very high	98.6	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-29.5	177.4	-61.8	179.1	0	0	0	112	G390 L391 A396 V432 L434 L440	G390-L442 CarbonylContact C-O 3.58Å; G390-L442 VanDerWaalsContact CA-O 3.3Å; G390-L442 WeakPolarHBondContact CA-O 3.41Å; L391-L442 HydrophobicContact CD1-CB 4.27Å; L391-L442 HydrophobicContact CD1-CD1 4.5Å; L391-L442 HydrophobicContact CG-CB 4.5Å; L391-L442 PolarHBondContact N-O 3.02Å; A396-L442 HydrophobicContact CB-CD1 4.09Å; V432-L442 HydrophobicContact CG1-CB 4.43Å; V432-L442 WeakPolarHBondContact O-CA 3.24Å; V432-L442 PolarHBondContact O-N 3.09Å; L434-L442 HydrophobicContact CD2-CD1 3.88Å; L434-L442 HydrophobicContact CD2-CD2 4.5Å; L434-L442 HydrophobicContact CG-CD1 4.06Å; L434-L442 HydrophobicContact CG-CD2 4.1Å; L434-L442 HydrophobicContact CG-CG 4.21Å; L440-L442 HydrophobicContact CD2-CD2 4.35Å; L440-L442 PolarHBondContact O-N 3.04Å
443	G	98.8	Very high	98.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	151.7	-178.6	0	0	0	0	0	113.7	V389 M431 V432	V389-G443 CarbonylContact O-C 3.56Å; V389-G443 VanDerWaalsContact O-CA 3.25Å; V389-G443 WeakPolarHBondContact O-CA 3.48Å; M431-G443 CarbonylContact C-O 3.49Å; M431-G443 WeakPolarHBondContact CA-O 3.34Å; V432-G443 PolarHBondContact N-O 3.19Å; V432-G443 PolarHBondContact O-N 3.49Å
444	L	98.9	Very high	98.5	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.5	172.1	179.2	72.7	0	0	0	109.2	C388 V389 V429 M431 F458 I462	C388-L444 CarbonylContact C-O 3.48Å; C388-L444 WeakPolarHBondContact CA-O 3.32Å; C388-L444 WeakPolarHBondContact CB-O 3.49Å; V389-L444 HydrophobicContact CG1-CB 4.02Å; V389-L444 PolarHBondContact N-O 3.13Å; V389-L444 PolarHBondContact O-N 3.27Å; V429-L444 HydrophobicContact CG2-CD1 4.14Å; M431-L444 HydrophobicContact CB-CD1 4.21Å; M431-L444 HydrophobicContact CE-CD1 3.84Å; M431-L444 HydrophobicContact CG-CD1 4.46Å; L444-F458 HydrophobicContact CD2-CB 3.32Å; L444-F458 HydrophobicContact CD2-CD1 4Å; L444-F458 HydrophobicContact CD2-CD2 3.51Å; L444-F458 HydrophobicContact CD2-CE2 4.3Å; L444-F458 HydrophobicContact CD2-CG 3.34Å; L444-I462 HydrophobicContact CB-CD1 4.39Å
445	H	98.9	Very high	98.5	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.019	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.5	177.2	-57.2	-90.4	0	0	0	109.9	M241 Y386 L391 V429 K430	M241-H445 HydrophobicContact CE-CB 3.9Å; M241-H445 HydrophobicContact CG-CB 3.74Å; M241-H445 HydrophobicContact SD-CB 3.8Å; Y386-H445 HydrophobicContact CE2-CB 4.08Å; Y386-H445 AromaticContact CE2-ND1 3.94Å; Y386-H445 AromaticContact CZ-ND1 3.84Å; Y386-H445 PolarHBondContact OH-ND1 3.36Å; L391-H445 PolarHBondContact O-NE2 3.27Å; V429-H445 CarbonylContact C-O 3.49Å; V429-H445 WeakPolarHBondContact CA-O 3.38Å; V429-H445 WeakPolarHBondContact CG2-O 3.31Å; K430-H445 HydrophobicContact CG-CB 3.84Å; K430-H445 PolarHBondContact N-O 3.32Å; K430-H445 PolarHBondContact O-N 2.98Å
446	F	98.9	Very high	98.5	Very high	25 Å²	25	53.8 Å²	53.8	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.5	-176.8	177	-88.6	0	0	0	109.8	Y386 G387 Y412 V429 A451 V454	Y386-F446 WeakPolarHBondContact CA-O 3.28Å; G387-F446 PolarHBondContact N-O 2.81Å; G387-F446 PolarHBondContact O-N 3.17Å; Y412-F446 HydrophobicContact CE1-CE2 4.09Å; Y412-F446 AromaticContact CZ-CE2 3.74Å; Y412-F446 AromaticContact CZ-CZ 3.87Å; Y412-F446 VanDerWaalsContact OH-CE2 3.25Å; Y412-F446 WeakPolarHBondContact OH-CE2 3.04Å; Y412-F446 WeakPolarHBondContact OH-CZ 3.36Å; V429-F446 HydrophobicContact CB-CD2 4.27Å; V429-F446 HydrophobicContact CG2-CD2 4.22Å; F446-A451 HydrophobicContact CD1-CB 3.59Å; F446-A451 HydrophobicContact CE1-CB 3.96Å; F446-V454 HydrophobicContact CD1-CB 4.32Å; F446-V454 HydrophobicContact CD1-CG1 4.4Å; F446-V454 HydrophobicContact CD2-CG1 4.04Å; F446-V454 HydrophobicContact CE1-CB 4.2Å; F446-V454 HydrophobicContact CE1-CG1 4.46Å; F446-V454 HydrophobicContact CE1-CG2 3.98Å; F446-V454 HydrophobicContact CE2-CG1 4.1Å; F446-V454 HydrophobicContact CE2-CG2 4.44Å; F446-V454 HydrophobicContact CG-CG1 4.17Å; F446-V454 HydrophobicContact CZ-CB 4.35Å; F446-V454 HydrophobicContact CZ-CG1 4.29Å; F446-V454 HydrophobicContact CZ-CG2 3.88Å
447	L	98.9	Very high	98.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.5	175.6	179.8	60.2	0	0	0	108.9	M241 M244 V245 L384 E385 Y412 Q426 C427 Y428	M241-L447 HydrophobicContact CE-CB 3.61Å; M244-L447 HydrophobicContact CB-CD2 3.39Å; M244-L447 HydrophobicContact SD-CD2 4.43Å; V245-L447 HydrophobicContact CG2-CD1 3.65Å; V245-L447 HydrophobicContact CG2-CD2 4.28Å; L384-L447 HydrophobicContact CB-CD1 4.27Å; L384-L447 HydrophobicContact CD2-CD1 4.01Å; L384-L447 HydrophobicContact CD2-CD2 4.35Å; L384-L447 HydrophobicContact CD2-CG 3.75Å; L384-L447 HydrophobicContact CG-CD1 3.9Å; L384-L447 HydrophobicContact CG-CG 4.11Å; E385-L447 WeakPolarHBondContact O-CA 3.4Å; E385-L447 WeakPolarHBondContact O-CD1 3.4Å; Y412-L447 PolarHBondContact OH-O 3.26Å; Q426-L447 HydrophobicContact CB-CD2 4.18Å; Q426-L447 VanDerWaalsContact O-CD2 3.24Å; Q426-L447 WeakPolarHBondContact O-CD2 3.49Å; Q426-L447 WeakPolarHBondContact O-CG 3.44Å; C427-L447 WeakPolarHBondContact CA-O 3.03Å; Y428-L447 PolarHBondContact N-O 3.29Å; Y428-L447 VanDerWaalsContact N-O 3.12Å; Y428-L447 PolarHBondContact O-N 3.34Å
448	G	98.8	Very high	98.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	177.1	-165.1	0	0	0	0	0	115.1	E385 Y412	E385-G448 WeakPolarHBondContact CB-O 3.26Å; E385-G448 PolarHBondContact N-O 3Å; E385-G448 PolarHBondContact O-N 2.7Å; E385-G448 VanDerWaalsContact O-O 3.1Å; Y412-G448 VanDerWaalsContact OH-CA 3.22Å; Y412-G448 WeakPolarHBondContact OH-CA 3.25Å
449	P	98.6	Very high	98.6	Very high	40 Å²	40	42.6 Å²	42.6	26%	0.26	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	141.4	169.9	28.4	-34.1	0	0	0	111.1	P414 A451	P414-P449 HydrophobicContact CB-CG 4.22Å; P414-P449 HydrophobicContact CG-CG 3.82Å; P449-A451 VanDerWaalsContact C-N 3.32Å; P449-A451 PolarHBondContact O-N 2.92Å
450	N	98.5	Very high	98.6	Very high	97 Å²	97	46.1 Å²	46.1	52%	0.519	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	39.3	175	-47.8	-66	0	0	0	113.8	E385 G452 E453 V454	E385-N450 VanDerWaalsContact OE2-CA 3.28Å; E385-N450 WeakPolarHBondContact OE2-CA 3.48Å; E385-N450 PolarHBondContact OE2-N 3.42Å; N450-G452 PolarHBondContact O-N 3.35Å; N450-E453 HydrophobicContact CB-CB 4.29Å; N450-E453 HydrophobicContact CB-CG 4.13Å; N450-E453 WeakPolarHBondContact O-CB 3.44Å; N450-E453 PolarHBondContact O-N 2.86Å; N450-V454 PolarHBondContact O-N 2.94Å
451	A	98.8	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-32.8	-170.7	0	0	0	0	0	113.4	T379 E385 F446 P449 T455	T379-A451 HydrophobicContact CG2-CB 4.22Å; E385-A451 HydrophobicContact CB-CB 3.56Å; E385-A451 WeakPolarHBondContact O-CB 3.39Å; E385-A451 PolarHBondContact OE2-N 2.82Å; F446-A451 HydrophobicContact CD1-CB 3.59Å; F446-A451 HydrophobicContact CE1-CB 3.96Å; P449-A451 VanDerWaalsContact C-N 3.32Å; P449-A451 PolarHBondContact O-N 2.92Å; A451-T455 VanDerWaalsContact O-CB 3.26Å; A451-T455 WeakPolarHBondContact O-CB 3.44Å; A451-T455 PolarHBondContact O-N 2.86Å; A451-T455 PolarHBondContact O-OG1 3.21Å
452	G	98.3	Very high	98.4	Very high	15 Å²	15	43.3 Å²	43.3	16%	0.155	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-39.2	175.3	0	0	0	0	0	113.2	T379 N450 T455 Q456	T379-G452 WeakPolarHBondContact OG1-CA 3.28Å; N450-G452 PolarHBondContact O-N 3.35Å; G452-T455 PolarHBondContact O-N 2.76Å; G452-Q456 WeakPolarHBondContact O-CB 3.5Å; G452-Q456 PolarHBondContact O-N 2.99Å; G452-Q456 VanDerWaalsContact O-N 3.17Å
453	E	98.6	Very high	98.1	Very high	142 Å²	142	48.8 Å²	48.8	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-66.6	-42	178.6	-52.4	-55.1	146.9	0	0	110.9	N450	N450-E453 HydrophobicContact CB-CB 4.29Å; N450-E453 HydrophobicContact CB-CG 4.13Å; N450-E453 WeakPolarHBondContact O-CB 3.44Å; N450-E453 PolarHBondContact O-N 2.86Å
454	V	98.8	Very high	98	Very high	51 Å²	51	51.3 Å²	51.3	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-50.9	175.9	176.7	0	0	0	0	110.9	F446 N450 Q456 F458	F446-V454 HydrophobicContact CD1-CB 4.32Å; F446-V454 HydrophobicContact CD1-CG1 4.4Å; F446-V454 HydrophobicContact CD2-CG1 4.04Å; F446-V454 HydrophobicContact CE1-CB 4.2Å; F446-V454 HydrophobicContact CE1-CG1 4.46Å; F446-V454 HydrophobicContact CE1-CG2 3.98Å; F446-V454 HydrophobicContact CE2-CG1 4.1Å; F446-V454 HydrophobicContact CE2-CG2 4.44Å; F446-V454 HydrophobicContact CG-CG1 4.17Å; F446-V454 HydrophobicContact CZ-CB 4.35Å; F446-V454 HydrophobicContact CZ-CG1 4.29Å; F446-V454 HydrophobicContact CZ-CG2 3.88Å; N450-V454 PolarHBondContact O-N 2.94Å; V454-Q456 VanDerWaalsContact C-N 3.31Å; V454-Q456 PolarHBondContact O-N 3.22Å; V454-F458 HydrophobicContact CG1-CD2 4.39Å; V454-F458 HydrophobicContact CG1-CE2 4.13Å; V454-F458 WeakPolarHBondContact O-CD2 3.46Å
455	T	98.8	Very high	98	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-33.4	-171.5	-57.3	0	0	0	0	112.6	P377 G387 V389 A451 G452 G457 F458 A459	P377-T455 HydrophobicContact CB-CG2 4.19Å; G387-T455 WeakPolarHBondContact CA-OG1 3.32Å; V389-T455 HydrophobicContact CB-CG2 4.19Å; V389-T455 HydrophobicContact CG1-CG2 3.97Å; A451-T455 VanDerWaalsContact O-CB 3.26Å; A451-T455 WeakPolarHBondContact O-CB 3.44Å; A451-T455 PolarHBondContact O-N 2.86Å; A451-T455 PolarHBondContact O-OG1 3.21Å; G452-T455 PolarHBondContact O-N 2.76Å; T455-G457 VanDerWaalsContact C-N 3.31Å; T455-G457 PolarHBondContact O-N 3.39Å; T455-F458 PolarHBondContact O-N 3.47Å; T455-A459 PolarHBondContact O-N 2.99Å
456	Q	98.5	Very high	97.9	Very high	121 Å²	121	56.4 Å²	56.4	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-59.5	-37.8	-173.8	-175.2	59.7	66.2	0	0	113.6	G452 V454	G452-Q456 WeakPolarHBondContact O-CB 3.5Å; G452-Q456 PolarHBondContact O-N 2.99Å; G452-Q456 VanDerWaalsContact O-N 3.17Å; V454-Q456 VanDerWaalsContact C-N 3.31Å; V454-Q456 PolarHBondContact O-N 3.22Å
457	G	98.2	Very high	97.9	Very high	54 Å²	54	58.3 Å²	58.3	56%	0.557	33%	0.332	S	S	*	.	H	α-helix	trans	-70.9	-39.1	177.9	0	0	0	0	0	112.9	T455 A459 L460 G461	T455-G457 VanDerWaalsContact C-N 3.31Å; T455-G457 PolarHBondContact O-N 3.39Å; G457-A459 VanDerWaalsContact C-N 3.32Å; G457-A459 PolarHBondContact O-N 3.33Å; G457-L460 WeakPolarHBondContact O-CB 3.28Å; G457-L460 PolarHBondContact O-N 3.39Å; G457-G461 PolarHBondContact O-N 3.08Å
458	F	98.4	Very high	97.8	Very high	102 Å²	102	61.9 Å²	61.9	45%	0.447	35%	0.352	S	S	.	.	H	α-helix	trans	-71.2	-27.9	177.5	-71.5	-79	0	0	0	113.1	L444 V454 T455 L460 G461 I462	L444-F458 HydrophobicContact CD2-CB 3.32Å; L444-F458 HydrophobicContact CD2-CD1 4Å; L444-F458 HydrophobicContact CD2-CD2 3.51Å; L444-F458 HydrophobicContact CD2-CE2 4.3Å; L444-F458 HydrophobicContact CD2-CG 3.34Å; V454-F458 HydrophobicContact CG1-CD2 4.39Å; V454-F458 HydrophobicContact CG1-CE2 4.13Å; V454-F458 WeakPolarHBondContact O-CD2 3.46Å; T455-F458 PolarHBondContact O-N 3.47Å; F458-L460 PolarHBondContact O-N 3.48Å; F458-G461 WeakPolarHBondContact O-CA 3.22Å; F458-G461 PolarHBondContact O-N 3.07Å; F458-I462 PolarHBondContact O-N 3.48Å
459	A	98.3	Very high	97.8	Very high	6 Å²	6	66.1 Å²	66.1	5%	0.05	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-35.5	172.2	0	0	0	0	0	112.4	P377 V389 T455 G457 I462 K463	P377-A459 HydrophobicContact CB-CB 3.7Å; P377-A459 HydrophobicContact CG-CB 3.58Å; V389-A459 HydrophobicContact CB-CB 4.36Å; V389-A459 HydrophobicContact CG1-CB 4.43Å; V389-A459 HydrophobicContact CG2-CB 3.91Å; T455-A459 PolarHBondContact O-N 2.99Å; G457-A459 VanDerWaalsContact C-N 3.32Å; G457-A459 PolarHBondContact O-N 3.33Å; A459-I462 PolarHBondContact O-N 3.26Å; A459-K463 PolarHBondContact O-N 2.81Å
460	L	97.9	Very high	97.7	Very high	134 Å²	134	67.9 Å²	67.9	70%	0.702	38%	0.384	S	S	*	.	H	α-helix	trans	-68.4	-35	172.5	178.2	63.4	0	0	0	111.9	G457 F458 I462 K463	G457-L460 WeakPolarHBondContact O-CB 3.28Å; G457-L460 PolarHBondContact O-N 3.39Å; F458-L460 PolarHBondContact O-N 3.48Å; L460-I462 VanDerWaalsContact C-N 3.29Å; L460-I462 PolarHBondContact O-N 3.28Å; L460-K463 PolarHBondContact O-N 2.92Å
461	G	97.6	Very high	97.6	Very high	66 Å²	66	65.7 Å²	65.7	68%	0.68	37%	0.374	S	S	*	.	H	α-helix	trans	-71.3	-22.6	177.2	0	0	0	0	0	114.3	G457 F458	G457-G461 PolarHBondContact O-N 3.08Å; F458-G461 WeakPolarHBondContact O-CA 3.22Å; F458-G461 PolarHBondContact O-N 3.07Å
462	I	96.1	Very high	97.5	Very high	28 Å²	28	71.2 Å²	71.2	14%	0.144	41%	0.405	C	S	.	.	H	α-helix	trans	-87.4	-20.3	175.5	-69.3	164.9	0	0	0	111.7	N375 V389 V441 L444 F458 A459 L460	N375-I462 HydrophobicContact CB-CG2 3.96Å; V389-I462 HydrophobicContact CB-CD1 4.47Å; V389-I462 HydrophobicContact CG1-CD1 3.54Å; V389-I462 HydrophobicContact CG2-CD1 4.28Å; V441-I462 HydrophobicContact CB-CG1 4.42Å; V441-I462 HydrophobicContact CG1-CD1 4.05Å; V441-I462 HydrophobicContact CG1-CG1 4.01Å; L444-I462 HydrophobicContact CB-CD1 4.39Å; F458-I462 PolarHBondContact O-N 3.48Å; A459-I462 PolarHBondContact O-N 3.26Å; L460-I462 VanDerWaalsContact C-N 3.29Å; L460-I462 PolarHBondContact O-N 3.28Å
463	K	91.1	Very high	97.5	Very high	134 Å²	134	76.3 Å²	76.3	58%	0.583	43%	0.428	S	S	*	.			trans	-83.6	0	171.6	-79.6	-64.5	-177.2	-170.2	0	110.9	D372 D374 A459 L460	D372-K463 IonicContact OD1-NZ 3.86Å; D372-K463 PolarHBondContact OD1-NZ 3.24Å; D372-K463 IonicContact OD2-NZ 3.92Å; D372-K463 PolarHBondContact OD2-NZ 3.3Å; D374-K463 VanDerWaalsContact O-CE 3.23Å; D374-K463 WeakPolarHBondContact O-CE 3.43Å; D374-K463 PolarHBondContact O-NZ 2.73Å; A459-K463 PolarHBondContact O-N 2.81Å; L460-K463 PolarHBondContact O-N 2.92Å

Retrieved 463 of 463 residues in 92.8 ms (Link to these results)

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