A0A024RA75_HUMAN Loading...

3-hydroxyisobutyrate dehydrogenase

AlphaFold DB (P31937), UniProt , Accession A0A024RA75, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 336 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	46.9	Very low	40.5	Very low	239 Å²	239	136.5 Å²	136.5	100%	1.177	84%	0.839	S	S	*	*				0	89.4	0	-61.6	-174.6	-154.3	0	0	106.3
2	A	38	Very low	40.6	Very low	103 Å²	103	135 Å²	135	85%	0.851	84%	0.838	S	S	*	*				57.7	126.5	90.1	0	0	0	0	0	111.6
3	A	38.3	Very low	40.9	Very low	101 Å²	101	129.9 Å²	129.9	84%	0.835	83%	0.828	S	S	*	*			cis	-163.4	172.3	1.8	0	0	0	0	0	108.8
4	S	36.7	Very low	41	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	83%	0.83	S	S	*	*			trans	-85.8	-177.1	-167.3	42.4	0	0	0	0	115.9
5	L	38.2	Very low	40.8	Very low	135 Å²	135	137.9 Å²	137.9	71%	0.707	83%	0.829	S	S	*	*			trans	95.4	111	137.3	-102.5	147.7	0	0	0	118.5
6	R	42.9	Very low	41.1	Very low	234 Å²	234	143.6 Å²	143.6	88%	0.883	83%	0.834	S	S	*	*				171.7	151.9	94.4	-93.8	170.1	-166.2	-123.3	1.6	114.2
7	L	36.7	Very low	40.9	Very low	154 Å²	154	148.5 Å²	148.5	81%	0.806	84%	0.835	S	S	*	*			trans	-110.2	163.5	-174.2	-113.8	150.7	0	0	0	110
8	L	38.2	Very low	40.8	Very low	163 Å²	163	145.8 Å²	145.8	85%	0.853	83%	0.827	S	S	*	*			trans	87.6	129.3	150.9	-68.2	150.8	0	0	0	120.8
9	G	48	Very low	40.7	Very low	80 Å²	80	150.7 Å²	150.7	83%	0.825	83%	0.831	S	S	*	*			trans	-162.9	124.9	156.6	0	0	0	0	0	109.7
10	A	38.5	Very low	40.7	Very low	98 Å²	98	154.8 Å²	154.8	81%	0.81	83%	0.834	S	S	*	*			trans	-118.2	179.9	-169.3	0	0	0	0	0	112.4
11	A	43.3	Very low	41	Very low	94 Å²	94	156.2 Å²	156.2	78%	0.777	84%	0.84	S	S	*	*			trans	84.5	147.1	160.1	0	0	0	0	0	116.8
12	S	42.1	Very low	40.8	Very low	119 Å²	119	156 Å²	156	83%	0.832	83%	0.826	S	S	*	*			cis	-178	162.8	-1.5	41.2	0	0	0	0	110.4
13	G	44.2	Very low	41.1	Very low	69 Å²	69	157 Å²	157	71%	0.711	82%	0.823	S	S	*	*			trans	95.2	149.4	151.4	0	0	0	0	0	117.5
14	L	42.4	Very low	41.5	Very low	164 Å²	164	157 Å²	157	86%	0.859	82%	0.823	S	S	*	*			cis	-166.9	155.8	-9.9	-133.2	127	0	0	0	107.7
15	R	38.2	Very low	41.7	Very low	215 Å²	215	157.6 Å²	157.6	81%	0.811	83%	0.834	S	S	*	*			trans	-52.1	157.8	-177	-63	161.6	175.3	-139.1	-2.9	116.1
16	Y	45.3	Very low	42	Very low	230 Å²	230	154.3 Å²	154.3	90%	0.902	83%	0.833	S	S	*	*				-170.6	146.7	118.4	-106.8	-78.6	0	0	0	113.7
17	W	37.3	Very low	41.9	Very low	227 Å²	227	149 Å²	149	86%	0.86	83%	0.832	S	S	*	*			trans	-102.5	149.3	-169.4	-99.8	60.5	0	0	0	113.2
18	S	39.3	Very low	42.1	Very low	99 Å²	99	151.7 Å²	151.7	69%	0.692	84%	0.838	S	S	*	*			trans	70.1	150.3	148.8	87.4	0	0	0	0	117
19	R	39	Very low	42.4	Very low	239 Å²	239	147.7 Å²	147.7	90%	0.902	83%	0.828	S	S	*	*			cis	-161	162.6	30.9	-123	173.6	-174.2	-144.9	-0.7	109.9
20	R	39.8	Very low	42.2	Very low	233 Å²	233	148.5 Å²	148.5	88%	0.879	83%	0.827	S	S	*	*			trans	-50.3	143.5	-179	-63.8	170.4	178.9	-159.6	-3.1	116
21	L	47	Very low	42.2	Very low	184 Å²	184	150.3 Å²	150.3	96%	0.963	83%	0.828	S	S	*	*			trans	-137.2	140.8	143.7	-85	166.8	0	0	0	110.2
22	R	44.3	Very low	41.7	Very low	236 Å²	236	151.2 Å²	151.2	89%	0.891	83%	0.827	S	S	*	*			trans	-95.2	173.6	-171.8	-106.9	-170.2	176.3	-149.5	0.5	111
23	P	43.7	Very low	41.4	Very low	122 Å²	122	150.7 Å²	150.7	79%	0.792	82%	0.823	S	S	*	*			trans	-94.8	159.3	-130.7	38.4	-36.1	0	0	0	114.4
24	A	46.3	Very low	40.7	Very low	101 Å²	101	158.4 Å²	158.4	84%	0.835	83%	0.831	S	S	*	*			trans	-114.6	132.9	164.9	0	0	0	0	0	109.8
25	A	42.1	Very low	40.4	Very low	113 Å²	113	155.5 Å²	155.5	93%	0.934	82%	0.824	S	S	*	*			trans	-54.8	129.9	-178.3	0	0	0	0	0	112.3
26	G	42.8	Very low	40.6	Very low	66 Å²	66	151.5 Å²	151.5	68%	0.68	82%	0.823	S	S	*	*			trans	-135.8	116.1	174.6	0	0	0	0	0	109.2	F28	G26-F28 PolarHBondContact O-N 2.94Å
27	S	40.7	Very low	40.6	Very low	123 Å²	123	144.6 Å²	144.6	86%	0.86	81%	0.814	S	S	*	*			trans	-45.4	126	-178.8	-159.9	0	0	0	0	113.1	A29	S27-A29 PolarHBondContact O-N 2.64Å
28	F	41.6	Very low	41.7	Very low	210 Å²	210	138.3 Å²	138.3	92%	0.921	81%	0.805	S	S	*	*			trans	-71.4	91.7	169.1	-103.4	-96.3	0	0	0	108.7	G26 A30	G26-F28 PolarHBondContact O-N 2.94Å; F28-A30 PolarHBondContact O-N 3.22Å
29	A	44.1	Very low	43.7	Very low	79 Å²	79	137.4 Å²	137.4	65%	0.653	79%	0.789	S	S	*	*			trans	-67.6	118.4	160.8	0	0	0	0	0	107.9	S27 V31	S27-A29 PolarHBondContact O-N 2.64Å; A29-V31 PolarHBondContact O-N 3.4Å
30	A	43.8	Very low	46.2	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	77%	0.768	S	S	*	*			trans	-57.1	107.7	171.6	0	0	0	0	0	109.3	F28 C32	F28-A30 PolarHBondContact O-N 3.22Å; A30-C32 VanDerWaalsContact C-N 3.28Å; A30-C32 PolarHBondContact O-N 3.03Å
31	V	39.2	Very low	48.9	Very low	137 Å²	137	121.1 Å²	121.1	83%	0.83	74%	0.743	S	S	*	*			trans	-70.6	92.8	166.3	178.6	0	0	0	0	106.2	A29 S33	A29-V31 PolarHBondContact O-N 3.4Å; V31-S33 VanDerWaalsContact C-N 3.34Å; V31-S33 PolarHBondContact O-N 3.18Å
32	C	33.3	Very low	51.4	Low	112 Å²	112	112.4 Å²	112.4	76%	0.757	70%	0.697	S	S	*	*			trans	-58.4	104	159.5	-91.9	0	0	0	0	107.1	A30 R34	A30-C32 VanDerWaalsContact C-N 3.28Å; A30-C32 PolarHBondContact O-N 3.03Å; C32-R34 VanDerWaalsContact C-N 3.33Å; C32-R34 PolarHBondContact O-N 2.88Å
33	S	34.1	Very low	54	Low	108 Å²	108	101.1 Å²	101.1	76%	0.755	65%	0.654	S	S	*	*			trans	-54.9	102.2	162	174.9	0	0	0	0	107	V31 S35	V31-S33 VanDerWaalsContact C-N 3.34Å; V31-S33 PolarHBondContact O-N 3.18Å; S33-S35 VanDerWaalsContact C-N 3.27Å; S33-S35 PolarHBondContact O-N 3.48Å
34	R	31.5	Very low	56.6	Low	232 Å²	232	95.3 Å²	95.3	88%	0.875	62%	0.617	S	S	*	*			trans	-65.8	100.5	161.9	-75.2	-176	176.8	-159.5	-0.9	105	C32 V36	C32-R34 VanDerWaalsContact C-N 3.33Å; C32-R34 PolarHBondContact O-N 2.88Å; R34-V36 PolarHBondContact O-N 3.01Å
35	S	35.3	Very low	59.1	Low	102 Å²	102	90.7 Å²	90.7	71%	0.713	58%	0.578	S	S	*	*			trans	-28.9	114.7	156	164.9	0	0	0	0	108.5	S33 A37	S33-S35 VanDerWaalsContact C-N 3.27Å; S33-S35 PolarHBondContact O-N 3.48Å; S35-A37 PolarHBondContact O-N 3.04Å
36	V	42.5	Very low	61.8	Low	131 Å²	131	85.5 Å²	85.5	79%	0.794	54%	0.536	S	S	*	.			trans	-55	113.3	170	-178.4	0	0	0	0	104.5	R34 S38	R34-V36 PolarHBondContact O-N 3.01Å; V36-S38 PolarHBondContact O-N 3.17Å
37	A	45.4	Very low	64.5	Low	86 Å²	86	82.7 Å²	82.7	71%	0.711	51%	0.505	S	S	*	.			trans	-48.6	114.5	176	0	0	0	0	0	107.3	S35 K39	S35-A37 PolarHBondContact O-N 3.04Å; A37-K39 PolarHBondContact O-N 3.13Å
38	S	59.4	Low	67	Low	95 Å²	95	78.9 Å²	78.9	66%	0.664	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-57.3	128.2	-175.1	175.5	0	0	0	0	108.1	V36	V36-S38 PolarHBondContact O-N 3.17Å
39	K	82.8	Confident	69.3	Low	80 Å²	80	75.3 Å²	75.3	35%	0.348	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-60.8	150.7	174.7	-66.1	-171.6	175	179.5	0	109.2	A37 H61 Y63 P64	A37-K39 PolarHBondContact O-N 3.13Å; K39-H61 WeakPolarHBondContact CE-O 3.36Å; K39-H61 PolarHBondContact NZ-O 3.49Å; K39-Y63 HydrophobicContact CB-CD1 3.7Å; K39-Y63 HydrophobicContact CB-CE1 3.88Å; K39-Y63 HydrophobicContact CB-CG 4.41Å; K39-Y63 HydrophobicContact CD-CD1 3.78Å; K39-Y63 HydrophobicContact CD-CD2 4.06Å; K39-Y63 HydrophobicContact CD-CE1 3.52Å; K39-Y63 HydrophobicContact CD-CE2 3.83Å; K39-Y63 HydrophobicContact CD-CG 4.05Å; K39-Y63 HydrophobicContact CG-CD1 4.42Å; K39-Y63 HydrophobicContact CG-CE1 4.29Å; K39-P64 WeakPolarHBondContact O-CD 3.38Å; K39-P64 WeakPolarHBondContact O-CG 3.3Å
40	T	90.9	Very high	71.7	Confident	78 Å²	78	73.3 Å²	73.3	48%	0.479	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-65.5	147	179	58.1	0	0	0	0	111	R98	T40-R98 PolarHBondContact OG1-NH2 3.32Å
41	P	97.1	Very high	74.3	Confident	52 Å²	52	68.8 Å²	68.8	34%	0.338	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-66	144.4	-174.5	27.9	-36	0	0	0	112	P64 I66	P41-P64 CarbonylContact C-O 3.39Å; P41-P64 VanDerWaalsContact CA-O 3.29Å; P41-P64 WeakPolarHBondContact CA-O 3.41Å; P41-P64 HydrophobicContact CB-CB 4.37Å; P41-I66 HydrophobicContact CB-CD1 3.86Å; P41-I66 HydrophobicContact CB-CG1 4.44Å; P41-I66 HydrophobicContact CG-CD1 4.28Å
42	V	98.6	Very high	77.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129	176.7	175.9	0	0	0	0	109.4	L58 Y63 P64 L65 I66 R98 I100 L188	V42-L58 HydrophobicContact CG1-CD1 4.25Å; V42-Y63 HydrophobicContact CG2-CD1 3.7Å; V42-Y63 HydrophobicContact CG2-CE1 4.27Å; V42-Y63 HydrophobicContact CG2-CG 4.15Å; V42-P64 PolarHBondContact N-O 3.37Å; V42-L65 HydrophobicContact CB-CD2 3.9Å; V42-L65 HydrophobicContact CG1-CD2 4.34Å; V42-L65 VanDerWaalsContact O-CA 3.3Å; V42-L65 WeakPolarHBondContact O-CA 3.47Å; V42-L65 WeakPolarHBondContact O-CD2 3.49Å; V42-I66 PolarHBondContact O-N 3.03Å; V42-R98 WeakPolarHBondContact CA-O 3.41Å; V42-I100 HydrophobicContact CG1-CD1 4.27Å; V42-I100 HydrophobicContact CG1-CG1 4.45Å; V42-L188 HydrophobicContact CG1-CD1 3.91Å; V42-L188 HydrophobicContact CG2-CD1 3.82Å
43	G	98.8	Very high	80.2	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.2	171.2	0	0	0	0	0	111	I66 R98 I99 I100	G43-I66 CarbonylContact C-O 3.54Å; G43-I66 WeakPolarHBondContact CA-O 3.38Å; G43-R98 PolarHBondContact N-O 3.09Å; G43-I99 CarbonylContact O-C 3.5Å; G43-I99 WeakPolarHBondContact O-CA 3.36Å; G43-I100 PolarHBondContact O-N 2.74Å
44	F	98.9	Very high	83.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	120.8	173.5	-150.2	-69.5	0	0	0	110.5	G46 L47 M54 A55 L58 I66 I67 Y68 I100 M102 M192	F44-G46 VanDerWaalsContact CE1-O 3.26Å; F44-G46 WeakPolarHBondContact CE1-O 3.04Å; F44-L47 HydrophobicContact CD1-CD2 3.89Å; F44-L47 HydrophobicContact CE1-CD2 4.42Å; F44-M54 HydrophobicContact CE2-CB 4.01Å; F44-M54 HydrophobicContact CZ-CB 3.66Å; F44-M54 HydrophobicContact CZ-CE 4.27Å; F44-A55 HydrophobicContact CD1-CB 4.26Å; F44-A55 HydrophobicContact CD2-CB 3.93Å; F44-A55 HydrophobicContact CE1-CB 4.46Å; F44-A55 HydrophobicContact CE2-CB 4.12Å; F44-A55 HydrophobicContact CG-CB 4Å; F44-A55 HydrophobicContact CZ-CB 4.4Å; F44-L58 HydrophobicContact CD2-CD1 3.73Å; F44-L58 HydrophobicContact CE2-CD1 3.92Å; F44-I66 PolarHBondContact N-O 2.89Å; F44-I67 HydrophobicContact CB-CD1 3.76Å; F44-Y68 PolarHBondContact O-N 3.42Å; F44-Y68 VanDerWaalsContact O-N 3.08Å; F44-I100 WeakPolarHBondContact CA-O 3.31Å; F44-I100 HydrophobicContact CD2-CB 4.07Å; F44-I100 HydrophobicContact CD2-CD1 4.05Å; F44-I100 HydrophobicContact CD2-CG2 4.44Å; F44-I100 HydrophobicContact CE2-CB 4.1Å; F44-I100 HydrophobicContact CE2-CD1 3.93Å; F44-I100 HydrophobicContact CE2-CG2 3.98Å; F44-I100 HydrophobicContact CZ-CG2 4.12Å; F44-M102 HydrophobicContact CE1-CB 4Å; F44-M102 HydrophobicContact CZ-CB 4.31Å; F44-M192 HydrophobicContact CE2-SD 4.13Å
45	I	98.9	Very high	86.5	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.4	-177.6	-66.4	157.7	0	0	0	109.7	Y68 P89 V92 I99 I100 T101 M102 L103 A112 I119	I45-Y68 WeakPolarHBondContact CA-O 3.38Å; I45-Y68 HydrophobicContact CG1-CD1 4.44Å; I45-Y68 HydrophobicContact CG2-CD1 3.99Å; I45-P89 HydrophobicContact CD1-CB 3.88Å; I45-V92 HydrophobicContact CD1-CB 4.2Å; I45-V92 HydrophobicContact CD1-CG1 4.28Å; I45-V92 HydrophobicContact CD1-CG2 4.23Å; I45-V92 HydrophobicContact CG1-CB 4.39Å; I45-V92 HydrophobicContact CG1-CG1 4.37Å; I45-V92 HydrophobicContact CG1-CG2 3.93Å; I45-I99 HydrophobicContact CD1-CG2 3.79Å; I45-I99 HydrophobicContact CG1-CG2 4.49Å; I45-I100 PolarHBondContact N-O 2.89Å; I45-T101 HydrophobicContact CB-CG2 4.06Å; I45-T101 HydrophobicContact CD1-CG2 4.18Å; I45-T101 HydrophobicContact CG2-CG2 4.36Å; I45-T101 WeakPolarHBondContact O-CA 3.49Å; I45-M102 PolarHBondContact O-N 3.19Å; I45-L103 HydrophobicContact CG2-CD2 4.2Å; I45-A112 HydrophobicContact CG2-CB 4.44Å; I45-I119 HydrophobicContact CD1-CD1 3.66Å; I45-I119 HydrophobicContact CD1-CG1 3.74Å
46	G	98.6	Very high	89.5	Confident	5 Å²	5	40.8 Å²	40.8	5%	0.052	25%	0.252	C	S	.	.			trans	95.1	111.6	-177.1	0	0	0	0	0	112.7	F44 G51 Y68 D69	F44-G46 VanDerWaalsContact CE1-O 3.26Å; F44-G46 WeakPolarHBondContact CE1-O 3.04Å; G46-G51 WeakPolarHBondContact O-CA 3.31Å; G46-Y68 PolarHBondContact N-O 3.31Å; G46-D69 WeakPolarHBondContact CA-OD2 3.37Å
47	L	98.4	Very high	92.1	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	22%	0.216	C	C	.	.			trans	-123	32.1	-169.8	-60.3	173.4	0	0	0	112.3	F44 N52 A55 I67 D69 A74 C75 F78	F44-L47 HydrophobicContact CD1-CD2 3.89Å; F44-L47 HydrophobicContact CE1-CD2 4.42Å; L47-N52 WeakPolarHBondContact O-CB 3.45Å; L47-A55 HydrophobicContact CD2-CB 4.08Å; L47-I67 HydrophobicContact CD1-CG2 3.19Å; L47-I67 HydrophobicContact CD2-CD1 4.4Å; L47-I67 HydrophobicContact CD2-CG2 4.4Å; L47-I67 HydrophobicContact CG-CG2 4.18Å; L47-D69 HydrophobicContact CB-CB 4.42Å; L47-D69 HydrophobicContact CD1-CB 4.26Å; L47-D69 HydrophobicContact CG-CB 4.36Å; L47-D69 PolarHBondContact N-OD2 2.67Å; L47-A74 HydrophobicContact CB-CB 4.2Å; L47-C75 HydrophobicContact CD1-CB 4.46Å; L47-F78 HydrophobicContact CB-CE2 4.47Å; L47-F78 HydrophobicContact CD1-CD2 3.77Å; L47-F78 HydrophobicContact CD1-CE2 3.86Å; L47-F78 HydrophobicContact CD2-CD2 4.39Å; L47-F78 HydrophobicContact CD2-CE2 3.83Å; L47-F78 HydrophobicContact CD2-CZ 4.1Å; L47-F78 HydrophobicContact CG-CE2 4.26Å
48	G	93.7	Very high	94.7	Very high	43 Å²	43	30.8 Å²	30.8	44%	0.443	18%	0.183	S	C	.	.	S	Bend	trans	-66.9	-163.2	173.4	0	0	0	0	0	113.2	M50 G51 N52	G48-M50 PolarHBondContact O-N 3.22Å; G48-G51 PolarHBondContact O-N 3.42Å; G48-N52 WeakPolarHBondContact O-CB 3.24Å; G48-N52 PolarHBondContact O-N 3.33Å
49	N	89.7	Confident	96.5	Very high	136 Å²	136	28.7 Å²	28.7	73%	0.727	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.2	-176.2	-68.4	-21.3	0	0	0	115.1	P53 V163	N49-P53 WeakPolarHBondContact O-CD 3.42Å; N49-P53 VanDerWaalsContact O-CG 3.3Å; N49-P53 WeakPolarHBondContact O-CG 3.45Å; N49-V163 HydrophobicContact CB-CG2 4.04Å
50	M	95.4	Very high	97.2	Very high	37 Å²	37	31.9 Å²	31.9	18%	0.182	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-47.2	175.4	-61.3	-62.3	-68.9	0	0	112	G48 N52 P53 M54 M102 V159 V163 A166 L171	G48-M50 PolarHBondContact O-N 3.22Å; M50-N52 PolarHBondContact O-N 2.92Å; M50-P53 VanDerWaalsContact O-CD 3.22Å; M50-P53 WeakPolarHBondContact O-CD 3.46Å; M50-P53 VanDerWaalsContact O-CG 3.29Å; M50-P53 WeakPolarHBondContact O-CG 3.48Å; M50-M54 HydrophobicContact CB-SD 4.15Å; M50-M54 WeakPolarHBondContact O-CB 3.41Å; M50-M54 WeakPolarHBondContact O-CG 3.37Å; M50-M54 PolarHBondContact O-N 3.17Å; M50-M54 VanDerWaalsContact O-N 3.15Å; M50-M54 VanDerWaalsContact O-SD 3.41Å; M50-M102 HydrophobicContact CB-CE 3.49Å; M50-M102 VanDerWaalsContact CB-CE 3.49Å; M50-M102 HydrophobicContact CB-CG 4.15Å; M50-M102 HydrophobicContact CG-CE 3.86Å; M50-V159 HydrophobicContact CE-CG2 3.79Å; M50-V163 HydrophobicContact SD-CG2 3.97Å; M50-A166 HydrophobicContact CE-CB 3.86Å; M50-A166 HydrophobicContact SD-CB 4.16Å; M50-L171 HydrophobicContact CE-CD2 3.76Å
51	G	98	Very high	97.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-42	-176.3	0	0	0	0	0	113.6	G46 G48 M54 A55	G46-G51 WeakPolarHBondContact O-CA 3.31Å; G48-G51 PolarHBondContact O-N 3.42Å; G51-M54 PolarHBondContact O-N 2.93Å; G51-A55 WeakPolarHBondContact O-CB 3.43Å; G51-A55 PolarHBondContact O-N 3.23Å
52	N	98	Very high	97.5	Very high	32 Å²	32	32.1 Å²	32.1	17%	0.171	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-55.8	179	177.5	-70.6	0	0	0	113.1	L47 G48 M50 M54 A55 K56 E77 F78	L47-N52 WeakPolarHBondContact O-CB 3.45Å; G48-N52 WeakPolarHBondContact O-CB 3.24Å; G48-N52 PolarHBondContact O-N 3.33Å; M50-N52 PolarHBondContact O-N 2.92Å; N52-M54 VanDerWaalsContact C-N 3.31Å; N52-M54 PolarHBondContact O-N 2.85Å; N52-A55 PolarHBondContact O-N 2.98Å; N52-K56 WeakPolarHBondContact O-CG 3.45Å; N52-K56 PolarHBondContact O-N 3.46Å; N52-K56 VanDerWaalsContact OD1-CE 3.3Å; N52-K56 WeakPolarHBondContact OD1-CE 3.15Å; N52-K56 PolarHBondContact OD1-NZ 3.29Å; N52-E77 PolarHBondContact ND2-OE2 2.86Å; N52-F78 HydrophobicContact CB-CE2 4.48Å; N52-F78 HydrophobicContact CB-CZ 4.45Å; N52-F78 WeakPolarHBondContact ND2-CE2 3.4Å
53	P	97.9	Very high	97.5	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.071	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-29.5	177.4	23.8	-33	0	0	0	113.8	N49 M50 N57 A166 R167	N49-P53 WeakPolarHBondContact O-CD 3.42Å; N49-P53 VanDerWaalsContact O-CG 3.3Å; N49-P53 WeakPolarHBondContact O-CG 3.45Å; M50-P53 VanDerWaalsContact O-CD 3.22Å; M50-P53 WeakPolarHBondContact O-CD 3.46Å; M50-P53 VanDerWaalsContact O-CG 3.29Å; M50-P53 WeakPolarHBondContact O-CG 3.48Å; P53-N57 PolarHBondContact O-N 3.11Å; P53-N57 VanDerWaalsContact O-N 3.08Å; P53-N57 PolarHBondContact O-ND2 2.76Å; P53-A166 HydrophobicContact CB-CB 4.25Å; P53-A166 HydrophobicContact CG-CB 3.76Å; P53-R167 HydrophobicContact CB-CB 4.37Å; P53-R167 HydrophobicContact CB-CG 3.7Å; P53-R167 HydrophobicContact CG-CG 4.26Å
54	M	98.7	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-51.2	174	-75.9	168.2	69.1	0	0	111.5	F44 M50 G51 N52 K56 N57 L58 M102 V159 A166 L171 F173 M192	F44-M54 HydrophobicContact CE2-CB 4.01Å; F44-M54 HydrophobicContact CZ-CB 3.66Å; F44-M54 HydrophobicContact CZ-CE 4.27Å; M50-M54 HydrophobicContact CB-SD 4.15Å; M50-M54 WeakPolarHBondContact O-CB 3.41Å; M50-M54 WeakPolarHBondContact O-CG 3.37Å; M50-M54 PolarHBondContact O-N 3.17Å; M50-M54 VanDerWaalsContact O-N 3.15Å; M50-M54 VanDerWaalsContact O-SD 3.41Å; G51-M54 PolarHBondContact O-N 2.93Å; N52-M54 VanDerWaalsContact C-N 3.31Å; N52-M54 PolarHBondContact O-N 2.85Å; M54-K56 PolarHBondContact O-N 2.96Å; M54-N57 PolarHBondContact O-N 2.78Å; M54-N57 VanDerWaalsContact O-N 3.1Å; M54-L58 PolarHBondContact O-N 3.48Å; M54-M102 HydrophobicContact CE-CG 4.41Å; M54-M102 HydrophobicContact CE-SD 4.21Å; M54-M102 HydrophobicContact SD-CE 4.37Å; M54-M102 HydrophobicContact SD-CG 4.04Å; M54-M102 HydrophobicContact SD-SD 4.14Å; M54-V159 HydrophobicContact CE-CG1 4.36Å; M54-A166 HydrophobicContact CG-CB 4.47Å; M54-L171 HydrophobicContact CG-CD1 3.77Å; M54-L171 HydrophobicContact SD-CD1 4.01Å; M54-F173 HydrophobicContact CE-CE1 4.11Å; M54-F173 HydrophobicContact CE-CZ 4.1Å; M54-M192 HydrophobicContact CB-CG 4.5Å; M54-M192 HydrophobicContact CB-SD 3.68Å; M54-M192 HydrophobicContact CE-CE 4.41Å; M54-M192 HydrophobicContact CE-SD 4.11Å; M54-M192 HydrophobicContact CG-SD 4.22Å
55	A	98.7	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-45.2	175.5	0	0	0	0	0	111.7	F44 L47 G51 N52 N57 L58 M59 L65 F78	F44-A55 HydrophobicContact CD1-CB 4.26Å; F44-A55 HydrophobicContact CD2-CB 3.93Å; F44-A55 HydrophobicContact CE1-CB 4.46Å; F44-A55 HydrophobicContact CE2-CB 4.12Å; F44-A55 HydrophobicContact CG-CB 4Å; F44-A55 HydrophobicContact CZ-CB 4.4Å; L47-A55 HydrophobicContact CD2-CB 4.08Å; G51-A55 WeakPolarHBondContact O-CB 3.43Å; G51-A55 PolarHBondContact O-N 3.23Å; N52-A55 PolarHBondContact O-N 2.98Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 3.24Å; A55-L58 WeakPolarHBondContact O-CB 3.32Å; A55-L58 PolarHBondContact O-N 3.13Å; A55-M59 PolarHBondContact O-N 3.11Å; A55-M59 VanDerWaalsContact O-N 3.12Å; A55-L65 HydrophobicContact CB-CD1 3.84Å; A55-L65 WeakPolarHBondContact O-CD1 3.39Å; A55-F78 HydrophobicContact CB-CE1 3.58Å; A55-F78 HydrophobicContact CB-CZ 3.71Å
56	K	98.5	Very high	97.4	Very high	61 Å²	61	34.5 Å²	34.5	27%	0.265	19%	0.194	S	C	.	.	H	α-helix	trans	-58.3	-35.6	175	-76	174	176.7	161.3	0	113.5	N52 M54 L58 M59 K60 E77 F78	N52-K56 WeakPolarHBondContact O-CG 3.45Å; N52-K56 PolarHBondContact O-N 3.46Å; N52-K56 VanDerWaalsContact OD1-CE 3.3Å; N52-K56 WeakPolarHBondContact OD1-CE 3.15Å; N52-K56 PolarHBondContact OD1-NZ 3.29Å; M54-K56 PolarHBondContact O-N 2.96Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-M59 PolarHBondContact O-N 3.18Å; K56-K60 WeakPolarHBondContact O-CG 3.38Å; K56-K60 PolarHBondContact O-N 3.39Å; K56-E77 WeakPolarHBondContact CE-OE1 2.86Å; K56-E77 VanDerWaalsContact CE-OE2 3.27Å; K56-E77 WeakPolarHBondContact CE-OE2 3.29Å; K56-E77 IonicContact NZ-OE1 2.62Å; K56-E77 PolarHBondContact NZ-OE1 3.5Å; K56-E77 IonicContact NZ-OE2 2.8Å; K56-E77 PolarHBondContact NZ-OE2 3.5Å; K56-F78 HydrophobicContact CG-CE1 3.96Å; K56-F78 HydrophobicContact CG-CZ 4.13Å
57	N	98.6	Very high	97.4	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-70.3	-31.5	177	-75.8	-24.3	0	0	0	112.5	P53 M54 A55 K60 H61 A166 G169 C191 M192	P53-N57 PolarHBondContact O-N 3.11Å; P53-N57 VanDerWaalsContact O-N 3.08Å; P53-N57 PolarHBondContact O-ND2 2.76Å; M54-N57 PolarHBondContact O-N 2.78Å; M54-N57 VanDerWaalsContact O-N 3.1Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 3.24Å; N57-K60 PolarHBondContact O-N 2.76Å; N57-K60 PolarHBondContact OD1-NZ 3.1Å; N57-H61 PolarHBondContact O-N 2.74Å; N57-H61 PolarHBondContact O-ND1 3.39Å; N57-A166 PolarHBondContact ND2-O 3.06Å; N57-G169 PolarHBondContact ND2-N 2.89Å; N57-C191 WeakPolarHBondContact CB-O 3.46Å; N57-M192 HydrophobicContact CB-CG 4.3Å
58	L	98.6	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-43.9	170.1	-67	166.9	0	0	0	111.5	V42 F44 M54 A55 K56 K60 H61 G62 Y63 L65 I100 L188 C191 M192	V42-L58 HydrophobicContact CG1-CD1 4.25Å; F44-L58 HydrophobicContact CD2-CD1 3.73Å; F44-L58 HydrophobicContact CE2-CD1 3.92Å; M54-L58 PolarHBondContact O-N 3.48Å; A55-L58 WeakPolarHBondContact O-CB 3.32Å; A55-L58 PolarHBondContact O-N 3.13Å; K56-L58 VanDerWaalsContact C-N 3.34Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 3Å; L58-H61 CarbonylContact O-C 3.6Å; L58-H61 WeakPolarHBondContact O-CA 3.2Å; L58-H61 PolarHBondContact O-N 3.26Å; L58-G62 PolarHBondContact O-N 3.16Å; L58-Y63 HydrophobicContact CD2-CD2 4.14Å; L58-Y63 PolarHBondContact O-N 3.03Å; L58-L65 HydrophobicContact CB-CD2 4.09Å; L58-L65 HydrophobicContact CD1-CD2 4.15Å; L58-I100 HydrophobicContact CD1-CD1 3.66Å; L58-L188 HydrophobicContact CD2-CD2 4.18Å; L58-L188 HydrophobicContact CD2-CG 4.16Å; L58-C191 HydrophobicContact CD2-CB 3.91Å; L58-M192 HydrophobicContact CD1-SD 3.9Å; L58-M192 HydrophobicContact CD2-CE 4.49Å; L58-M192 HydrophobicContact CD2-CG 4.17Å; L58-M192 HydrophobicContact CD2-SD 4.26Å; L58-M192 HydrophobicContact CG-CG 4.01Å; L58-M192 HydrophobicContact CG-SD 3.88Å
59	M	98	Very high	97.7	Very high	50 Å²	50	35.4 Å²	35.4	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-42.7	175.7	-62.8	166.4	67.5	0	0	111.8	A55 K56 H61 G62 L65 F78 A81 E83	A55-M59 PolarHBondContact O-N 3.11Å; A55-M59 VanDerWaalsContact O-N 3.12Å; K56-M59 PolarHBondContact O-N 3.18Å; M59-H61 PolarHBondContact O-N 2.84Å; M59-G62 PolarHBondContact O-N 2.96Å; M59-L65 HydrophobicContact CG-CD1 3.6Å; M59-L65 HydrophobicContact CG-CG 4.06Å; M59-L65 HydrophobicContact SD-CD1 4.16Å; M59-F78 HydrophobicContact SD-CD1 3.65Å; M59-F78 HydrophobicContact SD-CE1 3.76Å; M59-A81 HydrophobicContact CE-CB 3.76Å; M59-E83 HydrophobicContact CE-CG 3.78Å; M59-E83 VanDerWaalsContact CE-OE1 3.31Å; M59-E83 WeakPolarHBondContact CE-OE1 3.48Å; M59-E83 HydrophobicContact CG-CG 4.47Å; M59-E83 HydrophobicContact SD-CG 4.05Å
60	K	97.4	Very high	98.1	Very high	148 Å²	148	33.9 Å²	33.9	64%	0.643	18%	0.18	S	C	*	.	H	α-helix	trans	-58.9	-28	175.2	-71.2	174.8	-167.7	163.7	0	113.2	K56 N57 L58 G62	K56-K60 WeakPolarHBondContact O-CG 3.38Å; K56-K60 PolarHBondContact O-N 3.39Å; N57-K60 PolarHBondContact O-N 2.76Å; N57-K60 PolarHBondContact OD1-NZ 3.1Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 3Å; K60-G62 VanDerWaalsContact C-N 3.31Å
61	H	97.6	Very high	98.2	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.417	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.8	176.5	-69.2	84.9	0	0	0	113.2	K39 N57 L58 M59 Y63 C191	K39-H61 WeakPolarHBondContact CE-O 3.36Å; K39-H61 PolarHBondContact NZ-O 3.49Å; N57-H61 PolarHBondContact O-N 2.74Å; N57-H61 PolarHBondContact O-ND1 3.39Å; L58-H61 CarbonylContact O-C 3.6Å; L58-H61 WeakPolarHBondContact O-CA 3.2Å; L58-H61 PolarHBondContact O-N 3.26Å; M59-H61 PolarHBondContact O-N 2.84Å; H61-Y63 HydrophobicContact CB-CD2 4.19Å; H61-Y63 HydrophobicContact CB-CE2 4.37Å; H61-C191 HydrophobicContact CB-CB 4.18Å; H61-C191 PolarHBondContact CE1-O 3.44Å; H61-C191 VanDerWaalsContact CE1-O 3.26Å
62	G	96.9	Very high	98.2	Very high	45 Å²	45	43.7 Å²	43.7	46%	0.464	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	17.5	172.4	0	0	0	0	0	115.2	L58 M59 K60 P64	L58-G62 PolarHBondContact O-N 3.16Å; M59-G62 PolarHBondContact O-N 2.96Å; K60-G62 VanDerWaalsContact C-N 3.31Å; G62-P64 WeakPolarHBondContact O-CD 3.44Å
63	Y	98.1	Very high	98.1	Very high	5 Å²	5	49 Å²	49	2%	0.02	26%	0.26	C	S	.	.			trans	-83.7	121.9	173.1	-72.3	-77.6	0	0	0	110.7	K39 V42 L58 H61 E187	K39-Y63 HydrophobicContact CB-CD1 3.7Å; K39-Y63 HydrophobicContact CB-CE1 3.88Å; K39-Y63 HydrophobicContact CB-CG 4.41Å; K39-Y63 HydrophobicContact CD-CD1 3.78Å; K39-Y63 HydrophobicContact CD-CD2 4.06Å; K39-Y63 HydrophobicContact CD-CE1 3.52Å; K39-Y63 HydrophobicContact CD-CE2 3.83Å; K39-Y63 HydrophobicContact CD-CG 4.05Å; K39-Y63 HydrophobicContact CG-CD1 4.42Å; K39-Y63 HydrophobicContact CG-CE1 4.29Å; V42-Y63 HydrophobicContact CG2-CD1 3.7Å; V42-Y63 HydrophobicContact CG2-CE1 4.27Å; V42-Y63 HydrophobicContact CG2-CG 4.15Å; L58-Y63 HydrophobicContact CD2-CD2 4.14Å; L58-Y63 PolarHBondContact O-N 3.03Å; H61-Y63 HydrophobicContact CB-CD2 4.19Å; H61-Y63 HydrophobicContact CB-CE2 4.37Å; Y63-E187 PolarHBondContact OH-OE1 3.47Å
64	P	98	Very high	98.1	Very high	41 Å²	41	50 Å²	50	27%	0.266	27%	0.269	S	S	.	.			trans	-64.3	143.6	164.5	-14.1	28.9	0	0	0	109.8	K39 P41 V42 G62	K39-P64 WeakPolarHBondContact O-CD 3.38Å; K39-P64 WeakPolarHBondContact O-CG 3.3Å; P41-P64 CarbonylContact C-O 3.39Å; P41-P64 VanDerWaalsContact CA-O 3.29Å; P41-P64 WeakPolarHBondContact CA-O 3.41Å; P41-P64 HydrophobicContact CB-CB 4.37Å; V42-P64 PolarHBondContact N-O 3.37Å; G62-P64 WeakPolarHBondContact O-CD 3.44Å
65	L	98.7	Very high	98.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.3	-177.8	-61.5	-175.5	0	0	0	113	V42 A55 L58 M59 I67 E83 Q84	V42-L65 HydrophobicContact CB-CD2 3.9Å; V42-L65 HydrophobicContact CG1-CD2 4.34Å; V42-L65 VanDerWaalsContact O-CA 3.3Å; V42-L65 WeakPolarHBondContact O-CA 3.47Å; V42-L65 WeakPolarHBondContact O-CD2 3.49Å; A55-L65 HydrophobicContact CB-CD1 3.84Å; A55-L65 WeakPolarHBondContact O-CD1 3.39Å; L58-L65 HydrophobicContact CB-CD2 4.09Å; L58-L65 HydrophobicContact CD1-CD2 4.15Å; M59-L65 HydrophobicContact CG-CD1 3.6Å; M59-L65 HydrophobicContact CG-CG 4.06Å; M59-L65 HydrophobicContact SD-CD1 4.16Å; L65-I67 HydrophobicContact CB-CD1 3.64Å; L65-I67 HydrophobicContact CB-CG1 4Å; L65-I67 HydrophobicContact CD1-CD1 3.87Å; L65-I67 HydrophobicContact CG-CD1 4.37Å; L65-E83 WeakPolarHBondContact CA-OE2 3.28Å; L65-E83 HydrophobicContact CB-CB 4.39Å; L65-E83 HydrophobicContact CB-CG 4.25Å; L65-E83 PolarHBondContact N-OE2 3.35Å; L65-Q84 PolarHBondContact O-N 3.21Å; L65-Q84 VanDerWaalsContact O-N 3.16Å
66	I	98.8	Very high	98	Very high	5 Å²	5	56 Å²	56	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.9	166.7	-61.8	151.9	0	0	0	107.6	P41 V42 G43 F44 Q84 V86 V92 K95 A96	P41-I66 HydrophobicContact CB-CD1 3.86Å; P41-I66 HydrophobicContact CB-CG1 4.44Å; P41-I66 HydrophobicContact CG-CD1 4.28Å; V42-I66 PolarHBondContact O-N 3.03Å; G43-I66 CarbonylContact C-O 3.54Å; G43-I66 WeakPolarHBondContact CA-O 3.38Å; F44-I66 PolarHBondContact N-O 2.89Å; I66-Q84 CarbonylContact C-O 3.2Å; I66-Q84 WeakPolarHBondContact CA-O 3.47Å; I66-Q84 HydrophobicContact CG1-CB 4.39Å; I66-V86 HydrophobicContact CG2-CG1 3.76Å; I66-V86 HydrophobicContact CG2-CG2 4.04Å; I66-V92 HydrophobicContact CB-CG1 4.49Å; I66-V92 HydrophobicContact CG2-CB 4.32Å; I66-V92 HydrophobicContact CG2-CG1 4.22Å; I66-V92 HydrophobicContact CG2-CG2 4.22Å; I66-K95 VanDerWaalsContact CD1-C 3.47Å; I66-K95 HydrophobicContact CD1-CB 3.39Å; I66-K95 WeakPolarHBondContact CD1-O 3.46Å; I66-K95 HydrophobicContact CG1-CB 4.33Å; I66-K95 HydrophobicContact CG2-CB 4.49Å; I66-A96 HydrophobicContact CD1-CB 3.86Å
67	I	98.8	Very high	98	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.1	-161.4	-62.4	-59.6	0	0	0	111.1	F44 L47 L65 C75 F78 E83 Q84 V85 V86	F44-I67 HydrophobicContact CB-CD1 3.76Å; L47-I67 HydrophobicContact CD1-CG2 3.19Å; L47-I67 HydrophobicContact CD2-CD1 4.4Å; L47-I67 HydrophobicContact CD2-CG2 4.4Å; L47-I67 HydrophobicContact CG-CG2 4.18Å; L65-I67 HydrophobicContact CB-CD1 3.64Å; L65-I67 HydrophobicContact CB-CG1 4Å; L65-I67 HydrophobicContact CD1-CD1 3.87Å; L65-I67 HydrophobicContact CG-CD1 4.37Å; I67-C75 HydrophobicContact CG2-CB 4.33Å; I67-F78 HydrophobicContact CD1-CD1 4.45Å; I67-F78 HydrophobicContact CG1-CB 4.11Å; I67-F78 HydrophobicContact CG1-CG 4.35Å; I67-E83 HydrophobicContact CG1-CB 4.31Å; I67-Q84 PolarHBondContact N-O 3.36Å; I67-V85 HydrophobicContact CB-CG2 4.28Å; I67-V85 HydrophobicContact CG2-CG2 4.43Å; I67-V85 WeakPolarHBondContact O-CA 3.16Å; I67-V86 PolarHBondContact O-N 3.42Å
68	Y	98.9	Very high	98	Very high	49 Å²	49	57.4 Å²	57.4	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.4	165.4	173.5	-99.4	0	0	0	111.3	F44 I45 G46 S87 P89	F44-Y68 PolarHBondContact O-N 3.42Å; F44-Y68 VanDerWaalsContact O-N 3.08Å; I45-Y68 WeakPolarHBondContact CA-O 3.38Å; I45-Y68 HydrophobicContact CG1-CD1 4.44Å; I45-Y68 HydrophobicContact CG2-CD1 3.99Å; G46-Y68 PolarHBondContact N-O 3.31Å; Y68-S87 VanDerWaalsContact CE2-O 3.28Å; Y68-S87 WeakPolarHBondContact CE2-O 3.39Å; Y68-P89 HydrophobicContact CD1-CG 3.69Å; Y68-P89 VanDerWaalsContact CE1-CD 3.41Å; Y68-P89 HydrophobicContact CE1-CG 3.54Å
69	D	98.8	Very high	97.9	Very high	23 Å²	23	63.1 Å²	63.1	12%	0.123	33%	0.329	C	S	.	.			trans	-140.5	151.1	163.1	-163	-68.1	0	0	0	108	G46 L47 F71 A74 C75	G46-D69 WeakPolarHBondContact CA-OD2 3.37Å; L47-D69 HydrophobicContact CB-CB 4.42Å; L47-D69 HydrophobicContact CD1-CB 4.26Å; L47-D69 HydrophobicContact CG-CB 4.36Å; L47-D69 PolarHBondContact N-OD2 2.67Å; D69-F71 PolarHBondContact O-N 3.06Å; D69-F71 WeakPolarHBondContact OD1-CB 3.49Å; D69-F71 PolarHBondContact OD1-N 3.25Å; D69-A74 HydrophobicContact CB-CB 4.32Å; D69-C75 PolarHBondContact N-SG 3.47Å
70	V	98.1	Very high	97.9	Very high	104 Å²	104	66.6 Å²	66.6	63%	0.63	35%	0.349	S	S	*	.	S	Bend	trans	-67.9	-24.5	174.5	69.9	0	0	0	0	111.6	P72	V70-P72 WeakPolarHBondContact O-CD 3.41Å
71	F	97.4	Very high	97.9	Very high	147 Å²	147	62.4 Å²	62.4	65%	0.645	34%	0.342	S	S	*	.	S	Bend	trans	-95.3	104.4	172.8	-66.3	-83.3	0	0	0	110.2	D69 D73 A74	D69-F71 PolarHBondContact O-N 3.06Å; D69-F71 WeakPolarHBondContact OD1-CB 3.49Å; D69-F71 PolarHBondContact OD1-N 3.25Å; F71-D73 PolarHBondContact O-N 3.47Å; F71-A74 HydrophobicContact CB-CB 4.44Å; F71-A74 WeakPolarHBondContact O-CB 3.5Å; F71-A74 PolarHBondContact O-N 2.97Å
72	P	96.9	Very high	97.9	Very high	98 Å²	98	61.4 Å²	61.4	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-61.6	-31.7	-173.8	24	-34.2	0	0	0	113.2	V70 A74 C75	V70-P72 WeakPolarHBondContact O-CD 3.41Å; P72-A74 PolarHBondContact O-N 3.2Å; P72-C75 WeakPolarHBondContact O-CB 3.46Å; P72-C75 PolarHBondContact O-N 2.95Å
73	D	97.8	Very high	98	Very high	144 Å²	144	60.8 Å²	60.8	77%	0.77	34%	0.341	S	S	*	.	H	α-helix	trans	-60.8	-29.7	177.5	-70.4	-12.8	0	0	0	112.6	F71 C75 K76	F71-D73 PolarHBondContact O-N 3.47Å; D73-C75 PolarHBondContact O-N 2.86Å; D73-K76 PolarHBondContact O-N 2.9Å
74	A	97.3	Very high	98	Very high	30 Å²	30	64.9 Å²	64.9	25%	0.248	36%	0.36	C	S	.	.	H	α-helix	trans	-70	-22.9	177.1	0	0	0	0	0	112.6	L47 D69 F71 P72	L47-A74 HydrophobicContact CB-CB 4.2Å; D69-A74 HydrophobicContact CB-CB 4.32Å; F71-A74 HydrophobicContact CB-CB 4.44Å; F71-A74 WeakPolarHBondContact O-CB 3.5Å; F71-A74 PolarHBondContact O-N 2.97Å; P72-A74 PolarHBondContact O-N 3.2Å
75	C	98.3	Very high	98	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.027	36%	0.362	C	S	.	.	H	α-helix	trans	-84.8	-22.7	-179.9	-58.8	0	0	0	0	113.4	L47 I67 D69 P72 D73 E77 F78 Q79 V85	L47-C75 HydrophobicContact CD1-CB 4.46Å; I67-C75 HydrophobicContact CG2-CB 4.33Å; D69-C75 PolarHBondContact N-SG 3.47Å; P72-C75 WeakPolarHBondContact O-CB 3.46Å; P72-C75 PolarHBondContact O-N 2.95Å; D73-C75 PolarHBondContact O-N 2.86Å; C75-E77 VanDerWaalsContact C-N 3.29Å; C75-E77 PolarHBondContact O-N 3.15Å; C75-F78 PolarHBondContact O-N 3.4Å; C75-Q79 PolarHBondContact O-N 3.05Å; C75-V85 HydrophobicContact CB-CG1 3.75Å; C75-V85 HydrophobicContact CB-CG2 3.94Å
76	K	97.6	Very high	98	Very high	123 Å²	123	66.3 Å²	66.3	54%	0.535	37%	0.368	S	S	.	.	H	α-helix	trans	-55.3	-42.3	-171.4	-174.5	175.4	-179.5	178.6	0	113.1	D73 F78 Q79 D80	D73-K76 PolarHBondContact O-N 2.9Å; K76-F78 VanDerWaalsContact C-N 3.27Å; K76-F78 PolarHBondContact O-N 3.26Å; K76-Q79 WeakPolarHBondContact O-CB 3.24Å; K76-Q79 PolarHBondContact O-N 2.76Å; K76-D80 WeakPolarHBondContact O-CB 3.39Å; K76-D80 VanDerWaalsContact O-CG 3.27Å; K76-D80 PolarHBondContact O-N 3.21Å
77	E	97.1	Very high	98	Very high	95 Å²	95	70.8 Å²	70.8	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-36.7	178.5	-176.4	178.8	-159.8	0	0	112.9	N52 K56 C75 A81	N52-E77 PolarHBondContact ND2-OE2 2.86Å; K56-E77 WeakPolarHBondContact CE-OE1 2.86Å; K56-E77 VanDerWaalsContact CE-OE2 3.27Å; K56-E77 WeakPolarHBondContact CE-OE2 3.29Å; K56-E77 IonicContact NZ-OE1 2.62Å; K56-E77 PolarHBondContact NZ-OE1 3.5Å; K56-E77 IonicContact NZ-OE2 2.8Å; K56-E77 PolarHBondContact NZ-OE2 3.5Å; C75-E77 VanDerWaalsContact C-N 3.29Å; C75-E77 PolarHBondContact O-N 3.15Å; E77-A81 PolarHBondContact O-N 3.2Å
78	F	98.4	Very high	98	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.009	40%	0.403	C	S	.	.	H	α-helix	trans	-77.9	-37.4	178.5	-65.5	-85.6	0	0	0	111.6	L47 N52 A55 K56 M59 I67 C75 K76 D80 A81 G82 E83	L47-F78 HydrophobicContact CB-CE2 4.47Å; L47-F78 HydrophobicContact CD1-CD2 3.77Å; L47-F78 HydrophobicContact CD1-CE2 3.86Å; L47-F78 HydrophobicContact CD2-CD2 4.39Å; L47-F78 HydrophobicContact CD2-CE2 3.83Å; L47-F78 HydrophobicContact CD2-CZ 4.1Å; L47-F78 HydrophobicContact CG-CE2 4.26Å; N52-F78 HydrophobicContact CB-CE2 4.48Å; N52-F78 HydrophobicContact CB-CZ 4.45Å; N52-F78 WeakPolarHBondContact ND2-CE2 3.4Å; A55-F78 HydrophobicContact CB-CE1 3.58Å; A55-F78 HydrophobicContact CB-CZ 3.71Å; K56-F78 HydrophobicContact CG-CE1 3.96Å; K56-F78 HydrophobicContact CG-CZ 4.13Å; M59-F78 HydrophobicContact SD-CD1 3.65Å; M59-F78 HydrophobicContact SD-CE1 3.76Å; I67-F78 HydrophobicContact CD1-CD1 4.45Å; I67-F78 HydrophobicContact CG1-CB 4.11Å; I67-F78 HydrophobicContact CG1-CG 4.35Å; C75-F78 PolarHBondContact O-N 3.4Å; K76-F78 VanDerWaalsContact C-N 3.27Å; K76-F78 PolarHBondContact O-N 3.26Å; F78-D80 VanDerWaalsContact C-N 3.35Å; F78-A81 CarbonylContact O-C 3.25Å; F78-A81 PolarHBondContact O-N 3.14Å; F78-G82 PolarHBondContact O-N 2.89Å; F78-E83 HydrophobicContact CB-CB 4.15Å; F78-E83 HydrophobicContact CB-CG 4.37Å; F78-E83 WeakPolarHBondContact O-CB 3.45Å; F78-E83 PolarHBondContact O-N 2.85Å
79	Q	98	Very high	98	Very high	120 Å²	120	69.3 Å²	69.3	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-59.9	-46	173.4	-169.8	176.8	5.8	0	0	111.4	C75 K76 A81 G82 V85	C75-Q79 PolarHBondContact O-N 3.05Å; K76-Q79 WeakPolarHBondContact O-CB 3.24Å; K76-Q79 PolarHBondContact O-N 2.76Å; Q79-A81 PolarHBondContact O-N 2.82Å; Q79-G82 PolarHBondContact O-N 2.97Å; Q79-V85 HydrophobicContact CB-CG2 3.82Å; Q79-V85 HydrophobicContact CG-CG2 4.38Å
80	D	97.9	Very high	98	Very high	124 Å²	124	68.4 Å²	68.4	66%	0.663	39%	0.392	S	S	*	.	H	α-helix	trans	-65	-24.7	178.1	-68.3	-18.3	0	0	0	112	K76 F78 G82	K76-D80 WeakPolarHBondContact O-CB 3.39Å; K76-D80 VanDerWaalsContact O-CG 3.27Å; K76-D80 PolarHBondContact O-N 3.21Å; F78-D80 VanDerWaalsContact C-N 3.35Å; D80-G82 VanDerWaalsContact C-N 3.33Å
81	A	97.7	Very high	98	Very high	60 Å²	60	64.7 Å²	64.7	50%	0.496	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0	174.7	0	0	0	0	0	114.2	M59 E77 F78 Q79	M59-A81 HydrophobicContact CE-CB 3.76Å; E77-A81 PolarHBondContact O-N 3.2Å; F78-A81 CarbonylContact O-C 3.25Å; F78-A81 PolarHBondContact O-N 3.14Å; Q79-A81 PolarHBondContact O-N 2.82Å
82	G	97.3	Very high	98.1	Very high	68 Å²	68	57.7 Å²	57.7	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	6.6	177.4	0	0	0	0	0	115.3	F78 Q79 D80	F78-G82 PolarHBondContact O-N 2.89Å; Q79-G82 PolarHBondContact O-N 2.97Å; D80-G82 VanDerWaalsContact C-N 3.33Å
83	E	98.4	Very high	98.2	Very high	33 Å²	33	53 Å²	53	15%	0.154	31%	0.307	C	S	.	.			trans	-78.5	152.8	175.8	-54.9	-58.2	162.3	0	0	111.7	M59 L65 I67 F78 V85	M59-E83 HydrophobicContact CE-CG 3.78Å; M59-E83 VanDerWaalsContact CE-OE1 3.31Å; M59-E83 WeakPolarHBondContact CE-OE1 3.48Å; M59-E83 HydrophobicContact CG-CG 4.47Å; M59-E83 HydrophobicContact SD-CG 4.05Å; L65-E83 WeakPolarHBondContact CA-OE2 3.28Å; L65-E83 HydrophobicContact CB-CB 4.39Å; L65-E83 HydrophobicContact CB-CG 4.25Å; L65-E83 PolarHBondContact N-OE2 3.35Å; I67-E83 HydrophobicContact CG1-CB 4.31Å; F78-E83 HydrophobicContact CB-CB 4.15Å; F78-E83 HydrophobicContact CB-CG 4.37Å; F78-E83 WeakPolarHBondContact O-CB 3.45Å; F78-E83 PolarHBondContact O-N 2.85Å; E83-V85 PolarHBondContact O-N 2.82Å
84	Q	98.4	Very high	98.2	Very high	91 Å²	91	50.8 Å²	50.8	43%	0.425	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.3	-178.1	-178.3	170.6	8	0	0	111.1	L65 I66 I67 V86	L65-Q84 PolarHBondContact O-N 3.21Å; L65-Q84 VanDerWaalsContact O-N 3.16Å; I66-Q84 CarbonylContact C-O 3.2Å; I66-Q84 WeakPolarHBondContact CA-O 3.47Å; I66-Q84 HydrophobicContact CG1-CB 4.39Å; I67-Q84 PolarHBondContact N-O 3.36Å; Q84-V86 HydrophobicContact CG-CG1 4.16Å
85	V	98.7	Very high	98.3	Very high	51 Å²	51	53.6 Å²	53.6	31%	0.309	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	170.8	-176.5	0	0	0	0	110.2	I67 C75 Q79 E83	I67-V85 HydrophobicContact CB-CG2 4.28Å; I67-V85 HydrophobicContact CG2-CG2 4.43Å; I67-V85 WeakPolarHBondContact O-CA 3.16Å; C75-V85 HydrophobicContact CB-CG1 3.75Å; C75-V85 HydrophobicContact CB-CG2 3.94Å; Q79-V85 HydrophobicContact CB-CG2 3.82Å; Q79-V85 HydrophobicContact CG-CG2 4.38Å; E83-V85 PolarHBondContact O-N 2.82Å
86	V	98.7	Very high	98.3	Very high	21 Å²	21	53.4 Å²	53.4	13%	0.127	30%	0.298	C	S	.	.			trans	-121.3	170.4	-179.7	-61.2	0	0	0	0	112.1	I66 I67 Q84 D91 V92 K95	I66-V86 HydrophobicContact CG2-CG1 3.76Å; I66-V86 HydrophobicContact CG2-CG2 4.04Å; I67-V86 PolarHBondContact O-N 3.42Å; Q84-V86 HydrophobicContact CG-CG1 4.16Å; V86-D91 HydrophobicContact CB-CB 3.77Å; V86-D91 HydrophobicContact CG1-CB 4.35Å; V86-D91 HydrophobicContact CG2-CB 3.94Å; V86-V92 HydrophobicContact CG2-CB 4.37Å; V86-V92 HydrophobicContact CG2-CG2 3.38Å; V86-K95 HydrophobicContact CG1-CD 4.2Å
87	S	98.3	Very high	98.3	Very high	100 Å²	100	51.3 Å²	51.3	70%	0.699	29%	0.292	S	S	*	.	S	Bend	trans	-86.8	-15.4	-172.1	34.8	0	0	0	0	115.7	Y68 D91	Y68-S87 VanDerWaalsContact CE2-O 3.28Å; Y68-S87 WeakPolarHBondContact CE2-O 3.39Å; S87-D91 PolarHBondContact OG-OD2 3.2Å
88	S	98.8	Very high	98.4	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	28%	0.28	C	S	.	.	S	Bend	trans	-158.2	161.6	-177.2	68.4	0	0	0	0	113.3	A90 D91 V92	S88-A90 PolarHBondContact O-N 3.37Å; S88-D91 PolarHBondContact N-OD2 3.31Å; S88-D91 PolarHBondContact O-N 3.26Å; S88-D91 VanDerWaalsContact O-N 3.08Å; S88-D91 PolarHBondContact OG-N 3.25Å; S88-D91 PolarHBondContact OG-OD2 3.47Å; S88-V92 PolarHBondContact O-N 2.87Å
89	P	98.8	Very high	98.4	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-35.4	170	-25.9	35.6	0	0	0	113.5	I45 Y68 D91 V92 A93 A112 N117 I119	I45-P89 HydrophobicContact CD1-CB 3.88Å; Y68-P89 HydrophobicContact CD1-CG 3.69Å; Y68-P89 VanDerWaalsContact CE1-CD 3.41Å; Y68-P89 HydrophobicContact CE1-CG 3.54Å; P89-D91 VanDerWaalsContact C-N 3.34Å; P89-D91 PolarHBondContact O-N 3.07Å; P89-V92 WeakPolarHBondContact O-CB 3.19Å; P89-V92 PolarHBondContact O-N 2.97Å; P89-A93 PolarHBondContact O-N 3.36Å; P89-A93 VanDerWaalsContact O-N 3.13Å; P89-A112 VanDerWaalsContact CB-O 3.32Å; P89-A112 WeakPolarHBondContact CB-O 3.21Å; P89-N117 VanDerWaalsContact CD-O 3.32Å; P89-N117 WeakPolarHBondContact CD-O 3.39Å; P89-I119 HydrophobicContact CB-CG1 3.93Å
90	A	98.9	Very high	98.4	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-42.6	173.6	0	0	0	0	0	112	S88 V92 A93 E94 N117 G118 K121 K122	S88-A90 PolarHBondContact O-N 3.37Å; A90-V92 VanDerWaalsContact C-N 3.26Å; A90-V92 PolarHBondContact O-N 2.75Å; A90-A93 PolarHBondContact O-N 2.63Å; A90-A93 VanDerWaalsContact O-N 3.1Å; A90-E94 PolarHBondContact O-N 3.04Å; A90-N117 WeakPolarHBondContact CB-O 3.47Å; A90-N117 PolarHBondContact N-O 3.26Å; A90-G118 WeakPolarHBondContact CB-O 3.4Å; A90-K121 HydrophobicContact CB-CB 4.14Å; A90-K122 HydrophobicContact CB-CB 4.35Å; A90-K122 HydrophobicContact CB-CD 4.1Å; A90-K122 HydrophobicContact CB-CG 4.08Å; A90-K122 WeakPolarHBondContact O-CB 3.38Å
91	D	98.7	Very high	98.5	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-69.3	-26.2	179.8	-57.6	-36.6	0	0	0	112.4	V86 S87 S88 P89 K122	V86-D91 HydrophobicContact CB-CB 3.77Å; V86-D91 HydrophobicContact CG1-CB 4.35Å; V86-D91 HydrophobicContact CG2-CB 3.94Å; S87-D91 PolarHBondContact OG-OD2 3.2Å; S88-D91 PolarHBondContact N-OD2 3.31Å; S88-D91 PolarHBondContact O-N 3.26Å; S88-D91 VanDerWaalsContact O-N 3.08Å; S88-D91 PolarHBondContact OG-N 3.25Å; S88-D91 PolarHBondContact OG-OD2 3.47Å; P89-D91 VanDerWaalsContact C-N 3.34Å; P89-D91 PolarHBondContact O-N 3.07Å; D91-K122 IonicContact OD1-NZ 2.64Å; D91-K122 PolarHBondContact OD1-NZ 2.95Å
92	V	98.9	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-49.7	168.1	-179.7	0	0	0	0	109.4	I45 I66 V86 S88 P89 A90 E94 K95 A96 I99	I45-V92 HydrophobicContact CD1-CB 4.2Å; I45-V92 HydrophobicContact CD1-CG1 4.28Å; I45-V92 HydrophobicContact CD1-CG2 4.23Å; I45-V92 HydrophobicContact CG1-CB 4.39Å; I45-V92 HydrophobicContact CG1-CG1 4.37Å; I45-V92 HydrophobicContact CG1-CG2 3.93Å; I66-V92 HydrophobicContact CB-CG1 4.49Å; I66-V92 HydrophobicContact CG2-CB 4.32Å; I66-V92 HydrophobicContact CG2-CG1 4.22Å; I66-V92 HydrophobicContact CG2-CG2 4.22Å; V86-V92 HydrophobicContact CG2-CB 4.37Å; V86-V92 HydrophobicContact CG2-CG2 3.38Å; S88-V92 PolarHBondContact O-N 2.87Å; P89-V92 WeakPolarHBondContact O-CB 3.19Å; P89-V92 PolarHBondContact O-N 2.97Å; A90-V92 VanDerWaalsContact C-N 3.26Å; A90-V92 PolarHBondContact O-N 2.75Å; V92-E94 VanDerWaalsContact C-N 3.3Å; V92-E94 PolarHBondContact O-N 3.18Å; V92-K95 PolarHBondContact O-N 3.41Å; V92-A96 PolarHBondContact O-N 2.96Å; V92-I99 HydrophobicContact CG1-CD1 4.29Å; V92-I99 HydrophobicContact CG1-CG1 4.35Å; V92-I99 HydrophobicContact CG1-CG2 4.1Å
93	A	98.7	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-28.7	-176.4	0	0	0	0	0	114.2	P89 A90 K95 I99 I119 V123 K124	P89-A93 PolarHBondContact O-N 3.36Å; P89-A93 VanDerWaalsContact O-N 3.13Å; A90-A93 PolarHBondContact O-N 2.63Å; A90-A93 VanDerWaalsContact O-N 3.1Å; A93-K95 VanDerWaalsContact C-N 3.25Å; A93-K95 PolarHBondContact O-N 3.29Å; A93-I99 HydrophobicContact CB-CD1 3.69Å; A93-I119 HydrophobicContact CB-CB 4.41Å; A93-I119 HydrophobicContact CB-CG2 3.88Å; A93-I119 WeakPolarHBondContact CB-O 3.28Å; A93-V123 HydrophobicContact CB-CB 4.38Å; A93-K124 VanDerWaalsContact O-CE 3.24Å; A93-K124 WeakPolarHBondContact O-CE 3.33Å
94	E	98.6	Very high	98.4	Very high	97 Å²	97	36.1 Å²	36.1	45%	0.453	19%	0.194	S	C	.	.	H	α-helix	trans	-62.8	-35.1	172.1	-170.9	174.2	-177	0	0	111.9	A90 V92 K122 K124	A90-E94 PolarHBondContact O-N 3.04Å; V92-E94 VanDerWaalsContact C-N 3.3Å; V92-E94 PolarHBondContact O-N 3.18Å; E94-K122 HydrophobicContact CB-CB 4.16Å; E94-K122 HydrophobicContact CB-CD 3.86Å; E94-K122 HydrophobicContact CG-CD 4.24Å; E94-K122 WeakPolarHBondContact OE2-CD 3.37Å; E94-K122 IonicContact OE2-NZ 2.76Å; E94-K122 PolarHBondContact OE2-NZ 3.42Å; E94-K124 WeakPolarHBondContact O-CE 3.4Å; E94-K124 PolarHBondContact O-NZ 2.82Å
95	K	98.4	Very high	98.2	Very high	90 Å²	90	33.9 Å²	33.9	39%	0.391	19%	0.187	S	C	.	.	H	α-helix	trans	-105.9	-19.8	-168.8	-64	179.9	-173.6	-63.1	0	114.1	I66 V86 V92 A93	I66-K95 VanDerWaalsContact CD1-C 3.47Å; I66-K95 HydrophobicContact CD1-CB 3.39Å; I66-K95 WeakPolarHBondContact CD1-O 3.46Å; I66-K95 HydrophobicContact CG1-CB 4.33Å; I66-K95 HydrophobicContact CG2-CB 4.49Å; V86-K95 HydrophobicContact CG1-CD 4.2Å; V92-K95 PolarHBondContact O-N 3.41Å; A93-K95 VanDerWaalsContact C-N 3.25Å; A93-K95 PolarHBondContact O-N 3.29Å
96	A	98.3	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.			trans	-120.1	137.6	179.3	0	0	0	0	0	111.7	I66 V92 I99	I66-A96 HydrophobicContact CD1-CB 3.86Å; V92-A96 PolarHBondContact O-N 2.96Å; A96-I99 HydrophobicContact CB-CG1 4.2Å
97	D	97.4	Very high	98.1	Very high	79 Å²	79	37.6 Å²	37.6	42%	0.422	21%	0.205	S	C	.	.	S	Bend	trans	-91.6	-11.1	172.9	-59.5	-45.9	0	0	0	112.5	K124 S127 L128	D97-K124 VanDerWaalsContact OD1-CD 3.29Å; D97-K124 WeakPolarHBondContact OD1-CD 3.29Å; D97-K124 WeakPolarHBondContact OD1-CE 3.46Å; D97-K124 IonicContact OD1-NZ 3.78Å; D97-K124 PolarHBondContact OD1-NZ 3.17Å; D97-K124 IonicContact OD2-NZ 2.74Å; D97-S127 CarbonylContact O-C 3.57Å; D97-S127 WeakPolarHBondContact O-CA 3.19Å; D97-S127 WeakPolarHBondContact O-CB 3.23Å; D97-L128 PolarHBondContact O-N 2.99Å
98	R	98.5	Very high	98.1	Very high	49 Å²	49	35.8 Å²	35.8	19%	0.185	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122	178.4	-58.9	-173.4	-72.8	-158	4.3	108.5	T40 V42 G43 L128 L188	T40-R98 PolarHBondContact OG1-NH2 3.32Å; V42-R98 WeakPolarHBondContact CA-O 3.41Å; G43-R98 PolarHBondContact N-O 3.09Å; R98-L128 CarbonylContact C-O 3.56Å; R98-L128 VanDerWaalsContact CA-O 3.27Å; R98-L128 WeakPolarHBondContact CA-O 3.49Å; R98-L128 HydrophobicContact CG-CB 4.25Å; R98-L188 HydrophobicContact CB-CD1 4.23Å
99	I	98.9	Very high	98.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.1	-171.4	-50.1	175.9	0	0	0	109.9	G43 I45 V92 A93 A96 I119 L128 L129 I130	G43-I99 CarbonylContact O-C 3.5Å; G43-I99 WeakPolarHBondContact O-CA 3.36Å; I45-I99 HydrophobicContact CD1-CG2 3.79Å; I45-I99 HydrophobicContact CG1-CG2 4.49Å; V92-I99 HydrophobicContact CG1-CD1 4.29Å; V92-I99 HydrophobicContact CG1-CG1 4.35Å; V92-I99 HydrophobicContact CG1-CG2 4.1Å; A93-I99 HydrophobicContact CB-CD1 3.69Å; A96-I99 HydrophobicContact CB-CG1 4.2Å; I99-I119 HydrophobicContact CD1-CG2 4.05Å; I99-I119 HydrophobicContact CG2-CD1 4.33Å; I99-L128 PolarHBondContact N-O 2.84Å; I99-L129 HydrophobicContact CB-CD2 3.77Å; I99-L129 HydrophobicContact CD1-CD2 3.63Å; I99-L129 HydrophobicContact CG1-CD2 3.82Å; I99-I130 PolarHBondContact O-N 2.81Å
100	I	98.9	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.2	172.2	-55.2	167.8	0	0	0	109.3	V42 G43 F44 I45 L58 I130 L188 M192	V42-I100 HydrophobicContact CG1-CD1 4.27Å; V42-I100 HydrophobicContact CG1-CG1 4.45Å; G43-I100 PolarHBondContact O-N 2.74Å; F44-I100 WeakPolarHBondContact CA-O 3.31Å; F44-I100 HydrophobicContact CD2-CB 4.07Å; F44-I100 HydrophobicContact CD2-CD1 4.05Å; F44-I100 HydrophobicContact CD2-CG2 4.44Å; F44-I100 HydrophobicContact CE2-CB 4.1Å; F44-I100 HydrophobicContact CE2-CD1 3.93Å; F44-I100 HydrophobicContact CE2-CG2 3.98Å; F44-I100 HydrophobicContact CZ-CG2 4.12Å; I45-I100 PolarHBondContact N-O 2.89Å; L58-I100 HydrophobicContact CD1-CD1 3.66Å; I100-I130 VanDerWaalsContact CA-O 3.28Å; I100-I130 WeakPolarHBondContact CA-O 3.28Å; I100-L188 HydrophobicContact CD1-CD2 3.13Å; I100-L188 HydrophobicContact CD1-CG 4.3Å; I100-L188 HydrophobicContact CG1-CD2 3.78Å; I100-M192 HydrophobicContact CD1-CE 3.6Å; I100-M192 HydrophobicContact CD1-SD 4.2Å
101	T	98.9	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135	168.2	53.2	0	0	0	0	110.5	I45 L103 Y113 I119 I130 D131 S132 S133	I45-T101 HydrophobicContact CB-CG2 4.06Å; I45-T101 HydrophobicContact CD1-CG2 4.18Å; I45-T101 HydrophobicContact CG2-CG2 4.36Å; I45-T101 WeakPolarHBondContact O-CA 3.49Å; T101-L103 HydrophobicContact CG2-CD1 4.4Å; T101-Y113 HydrophobicContact CG2-CD2 4.42Å; T101-Y113 HydrophobicContact CG2-CE2 3.58Å; T101-Y113 WeakPolarHBondContact OG1-CE2 3.45Å; T101-Y113 PolarHBondContact OG1-OH 3.26Å; T101-I119 HydrophobicContact CG2-CD1 3.72Å; T101-I130 PolarHBondContact N-O 3.3Å; T101-D131 VanDerWaalsContact OG1-CA 3.29Å; T101-D131 WeakPolarHBondContact OG1-CA 3.27Å; T101-D131 WeakPolarHBondContact OG1-CB 3.21Å; T101-D131 VanDerWaalsContact OG1-CG 3.3Å; T101-D131 PolarHBondContact OG1-OD1 2.64Å; T101-S132 PolarHBondContact O-N 3.36Å; T101-S133 PolarHBondContact O-N 3.03Å
102	M	98.7	Very high	98.1	Very high	28 Å²	28	42.7 Å²	42.7	14%	0.138	22%	0.219	C	C	.	.			trans	-134.4	82.9	177	-170.8	59.8	-171.3	0	0	110.6	F44 I45 M50 M54 S132 V159	F44-M102 HydrophobicContact CE1-CB 4Å; F44-M102 HydrophobicContact CZ-CB 4.31Å; I45-M102 PolarHBondContact O-N 3.19Å; M50-M102 HydrophobicContact CB-CE 3.49Å; M50-M102 VanDerWaalsContact CB-CE 3.49Å; M50-M102 HydrophobicContact CB-CG 4.15Å; M50-M102 HydrophobicContact CG-CE 3.86Å; M54-M102 HydrophobicContact CE-CG 4.41Å; M54-M102 HydrophobicContact CE-SD 4.21Å; M54-M102 HydrophobicContact SD-CE 4.37Å; M54-M102 HydrophobicContact SD-CG 4.04Å; M54-M102 HydrophobicContact SD-SD 4.14Å; M102-S132 VanDerWaalsContact SD-C 3.51Å; M102-V159 HydrophobicContact CE-CG2 3.69Å
103	L	98.2	Very high	98.1	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.141	22%	0.219	C	C	.	.			trans	-117.1	156.4	-164.3	-58.7	166.2	0	0	0	112.5	I45 T101 N108 A109 A112 S133	I45-L103 HydrophobicContact CG2-CD2 4.2Å; T101-L103 HydrophobicContact CG2-CD1 4.4Å; L103-N108 HydrophobicContact CB-CB 4.01Å; L103-A109 HydrophobicContact CD1-CB 4.43Å; L103-A112 HydrophobicContact CD1-CB 3.47Å; L103-A112 VanDerWaalsContact CD1-CB 3.47Å; L103-S133 WeakPolarHBondContact CA-OG 3.29Å; L103-S133 WeakPolarHBondContact CB-OG 3.43Å; L103-S133 PolarHBondContact N-OG 3.43Å; L103-S133 WeakPolarHBondContact O-CB 3.07Å
104	P	94	Very high	98.1	Very high	76 Å²	76	44.9 Å²	44.9	49%	0.494	24%	0.235	S	C	.	.	S	Bend	trans	-69.9	-37.2	-171.2	-23.2	35	0	0	0	115.3	K284	P104-K284 WeakPolarHBondContact O-CE 3.37Å; P104-K284 PolarHBondContact O-NZ 2.54Å
105	T	94.4	Very high	98	Very high	45 Å²	45	40.6 Å²	40.6	28%	0.276	22%	0.217	S	C	.	.	S	Bend	trans	-147.5	166.5	-169.4	69.5	0	0	0	0	112.9	I107 N108 A109	T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.46Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.47Å; T105-N108 PolarHBondContact N-OD1 3.23Å; T105-N108 PolarHBondContact O-N 2.98Å; T105-N108 VanDerWaalsContact O-N 3.09Å; T105-N108 PolarHBondContact OG1-OD1 3.32Å; T105-A109 PolarHBondContact O-N 3.1Å; T105-A109 VanDerWaalsContact O-N 3.1Å
106	S	97.3	Very high	98	Very high	23 Å²	23	40.1 Å²	40.1	16%	0.161	23%	0.23	C	C	.	.	H	α-helix	trans	-54.7	-41.1	176.8	-51.1	0	0	0	0	113	N108 A109 I110 D136	S106-N108 VanDerWaalsContact C-N 3.3Å; S106-N108 PolarHBondContact O-N 2.9Å; S106-A109 PolarHBondContact O-N 3.27Å; S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.37Å; S106-I110 PolarHBondContact O-N 3.39Å; S106-D136 PolarHBondContact OG-N 3.36Å
107	I	97.8	Very high	98.1	Very high	127 Å²	127	45.1 Å²	45.1	65%	0.651	26%	0.256	S	S	*	.	H	α-helix	trans	-65.1	-34.8	179	58.1	166.4	0	0	0	112.1	T105 E111	T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.46Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.47Å; I107-E111 WeakPolarHBondContact O-CB 3.36Å; I107-E111 PolarHBondContact O-N 3.32Å
108	N	98.4	Very high	98.1	Very high	62 Å²	62	41.4 Å²	41.4	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-70.5	-40.3	177.3	-57.3	122.4	0	0	0	110.8	L103 T105 S106 E111 A112	L103-N108 HydrophobicContact CB-CB 4.01Å; T105-N108 PolarHBondContact N-OD1 3.23Å; T105-N108 PolarHBondContact O-N 2.98Å; T105-N108 VanDerWaalsContact O-N 3.09Å; T105-N108 PolarHBondContact OG1-OD1 3.32Å; S106-N108 VanDerWaalsContact C-N 3.3Å; S106-N108 PolarHBondContact O-N 2.9Å; N108-E111 PolarHBondContact O-N 3.13Å; N108-A112 WeakPolarHBondContact O-CB 3.38Å; N108-A112 PolarHBondContact O-N 3.06Å
109	A	98.7	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-49.3	173.9	0	0	0	0	0	111	L103 T105 S106 E111 A112 Y113 I135 L143	L103-A109 HydrophobicContact CD1-CB 4.43Å; T105-A109 PolarHBondContact O-N 3.1Å; T105-A109 VanDerWaalsContact O-N 3.1Å; S106-A109 PolarHBondContact O-N 3.27Å; A109-E111 VanDerWaalsContact C-N 3.34Å; A109-E111 PolarHBondContact O-N 3.28Å; A109-A112 PolarHBondContact O-N 2.93Å; A109-Y113 VanDerWaalsContact O-CD2 3.28Å; A109-Y113 WeakPolarHBondContact O-CD2 3.25Å; A109-Y113 PolarHBondContact O-N 3.09Å; A109-I135 HydrophobicContact CB-CD1 4.24Å; A109-I135 HydrophobicContact CB-CG2 4.13Å; A109-L143 HydrophobicContact CB-CD1 4.31Å
110	I	98.7	Very high	98.1	Very high	65 Å²	65	39.9 Å²	39.9	33%	0.333	23%	0.232	S	C	.	.	H	α-helix	trans	-57.5	-46.3	177.2	-65.7	163.6	0	0	0	111.2	S106 Y113 S114 V139	S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.37Å; S106-I110 PolarHBondContact O-N 3.39Å; I110-Y113 PolarHBondContact O-N 3.33Å; I110-S114 WeakPolarHBondContact O-CA 3.32Å; I110-S114 WeakPolarHBondContact O-CB 3.32Å; I110-S114 PolarHBondContact O-N 2.94Å; I110-V139 HydrophobicContact CD1-CG1 3.72Å; I110-V139 HydrophobicContact CD1-CG2 4.31Å; I110-V139 HydrophobicContact CG1-CG1 3.59Å
111	E	98.7	Very high	98.1	Very high	117 Å²	117	45.8 Å²	45.8	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-43.2	178.6	-177.3	58.1	-154	0	0	112.2	I107 N108 A109 Y113 G115	I107-E111 WeakPolarHBondContact O-CB 3.36Å; I107-E111 PolarHBondContact O-N 3.32Å; N108-E111 PolarHBondContact O-N 3.13Å; A109-E111 VanDerWaalsContact C-N 3.34Å; A109-E111 PolarHBondContact O-N 3.28Å; E111-Y113 VanDerWaalsContact C-N 3.28Å; E111-Y113 PolarHBondContact O-N 3.49Å; E111-G115 WeakPolarHBondContact O-CA 3.2Å; E111-G115 PolarHBondContact O-N 2.79Å; E111-G115 WeakPolarHBondContact OE1-CA 3.27Å
112	A	98.8	Very high	98.1	Very high	9 Å²	9	49.8 Å²	49.8	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-33.2	179.6	0	0	0	0	0	112.8	I45 P89 L103 N108 A109 G118 I119	I45-A112 HydrophobicContact CG2-CB 4.44Å; P89-A112 VanDerWaalsContact CB-O 3.32Å; P89-A112 WeakPolarHBondContact CB-O 3.21Å; L103-A112 HydrophobicContact CD1-CB 3.47Å; L103-A112 VanDerWaalsContact CD1-CB 3.47Å; N108-A112 WeakPolarHBondContact O-CB 3.38Å; N108-A112 PolarHBondContact O-N 3.06Å; A109-A112 PolarHBondContact O-N 2.93Å; A112-G118 CarbonylContact O-C 3.53Å; A112-G118 WeakPolarHBondContact O-CA 3.15Å; A112-I119 WeakPolarHBondContact O-CG1 3.25Å; A112-I119 PolarHBondContact O-N 2.63Å
113	Y	98.9	Very high	98.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-87.8	-51.7	178	-80.8	-98.8	0	0	0	112.8	T101 A109 I110 E111 G118 I119 L120 L129 D131 L143 V147 F154	T101-Y113 HydrophobicContact CG2-CD2 4.42Å; T101-Y113 HydrophobicContact CG2-CE2 3.58Å; T101-Y113 WeakPolarHBondContact OG1-CE2 3.45Å; T101-Y113 PolarHBondContact OG1-OH 3.26Å; A109-Y113 VanDerWaalsContact O-CD2 3.28Å; A109-Y113 WeakPolarHBondContact O-CD2 3.25Å; A109-Y113 PolarHBondContact O-N 3.09Å; I110-Y113 PolarHBondContact O-N 3.33Å; E111-Y113 VanDerWaalsContact C-N 3.28Å; E111-Y113 PolarHBondContact O-N 3.49Å; Y113-G118 CarbonylContact O-C 3.42Å; Y113-I119 HydrophobicContact CD1-CB 4.41Å; Y113-I119 HydrophobicContact CD1-CD1 4Å; Y113-I119 HydrophobicContact CD2-CD1 4.11Å; Y113-I119 HydrophobicContact CE1-CD1 3.92Å; Y113-I119 HydrophobicContact CE2-CD1 4.06Å; Y113-I119 HydrophobicContact CG-CD1 4.1Å; Y113-I119 PolarHBondContact O-N 3.23Å; Y113-L120 VanDerWaalsContact O-CB 3.31Å; Y113-L120 WeakPolarHBondContact O-CB 3.46Å; Y113-L120 VanDerWaalsContact O-CG 3.28Å; Y113-L120 WeakPolarHBondContact O-CG 3.49Å; Y113-L120 PolarHBondContact O-N 3.08Å; Y113-L129 HydrophobicContact CD1-CD1 4.24Å; Y113-L129 HydrophobicContact CE1-CB 3.98Å; Y113-L129 HydrophobicContact CE1-CD1 3.72Å; Y113-L129 HydrophobicContact CE1-CG 4.48Å; Y113-D131 HydrophobicContact CE2-CB 4.39Å; Y113-L143 HydrophobicContact CD2-CD1 4.21Å; Y113-L143 HydrophobicContact CD2-CD2 4.48Å; Y113-L143 HydrophobicContact CG-CD1 4.48Å; Y113-L143 HydrophobicContact CG-CD2 4.04Å; Y113-V147 HydrophobicContact CD1-CG2 4.04Å; Y113-V147 HydrophobicContact CE1-CG2 4.2Å; Y113-F154 AromaticContact CE1-CD2 3.8Å; Y113-F154 HydrophobicContact CE1-CD2 3.8Å; Y113-F154 AromaticContact CE1-CE2 3.79Å; Y113-F154 HydrophobicContact CE1-CE2 3.79Å; Y113-F154 HydrophobicContact CE2-CE2 4.24Å; Y113-F154 AromaticContact CZ-CE2 3.64Å
114	S	98.7	Very high	98.1	Very high	46 Å²	46	51 Å²	51	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-108	-7.4	-166.1	-57.7	0	0	0	0	114.5	I110	I110-S114 WeakPolarHBondContact O-CA 3.32Å; I110-S114 WeakPolarHBondContact O-CB 3.32Å; I110-S114 PolarHBondContact O-N 2.94Å
115	G	98.4	Very high	98.3	Very high	7 Å²	7	56.1 Å²	56.1	7%	0.072	29%	0.294	C	S	.	.	S	Bend	trans	-60.5	174	178.9	0	0	0	0	0	113.4	E111 N117 G118 K121	E111-G115 WeakPolarHBondContact O-CA 3.2Å; E111-G115 PolarHBondContact O-N 2.79Å; E111-G115 WeakPolarHBondContact OE1-CA 3.27Å; G115-N117 PolarHBondContact O-N 2.92Å; G115-N117 VanDerWaalsContact O-N 3.11Å; G115-G118 PolarHBondContact O-N 3.35Å; G115-K121 WeakPolarHBondContact O-CE 3.4Å
116	A	98.4	Very high	98.5	Very high	80 Å²	80	57 Å²	57	66%	0.661	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.9	-175	0	0	0	0	0	112.8
117	N	98.6	Very high	98.5	Very high	106 Å²	106	55.9 Å²	55.9	57%	0.567	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	31.9	174.2	-58.5	-56.2	0	0	0	112	P89 A90 G115	P89-N117 VanDerWaalsContact CD-O 3.32Å; P89-N117 WeakPolarHBondContact CD-O 3.39Å; A90-N117 WeakPolarHBondContact CB-O 3.47Å; A90-N117 PolarHBondContact N-O 3.26Å; G115-N117 PolarHBondContact O-N 2.92Å; G115-N117 VanDerWaalsContact O-N 3.11Å
118	G	98.8	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.			trans	-74.2	166.7	-178.8	0	0	0	0	0	114.1	A90 A112 Y113 G115 L120 K121	A90-G118 WeakPolarHBondContact CB-O 3.4Å; A112-G118 CarbonylContact O-C 3.53Å; A112-G118 WeakPolarHBondContact O-CA 3.15Å; Y113-G118 CarbonylContact O-C 3.42Å; G115-G118 PolarHBondContact O-N 3.35Å; G118-L120 PolarHBondContact O-N 3.17Å; G118-L120 VanDerWaalsContact O-N 3.16Å; G118-K121 WeakPolarHBondContact O-CB 3.32Å; G118-K121 WeakPolarHBondContact O-CG 3.32Å; G118-K121 PolarHBondContact O-N 2.88Å
119	I	98.9	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-48.2	-44.4	179.3	-67.7	163	0	0	0	111.7	I45 P89 A93 I99 T101 A112 Y113 K121 K122 V123 L129	I45-I119 HydrophobicContact CD1-CD1 3.66Å; I45-I119 HydrophobicContact CD1-CG1 3.74Å; P89-I119 HydrophobicContact CB-CG1 3.93Å; A93-I119 HydrophobicContact CB-CB 4.41Å; A93-I119 HydrophobicContact CB-CG2 3.88Å; A93-I119 WeakPolarHBondContact CB-O 3.28Å; I99-I119 HydrophobicContact CD1-CG2 4.05Å; I99-I119 HydrophobicContact CG2-CD1 4.33Å; T101-I119 HydrophobicContact CG2-CD1 3.72Å; A112-I119 WeakPolarHBondContact O-CG1 3.25Å; A112-I119 PolarHBondContact O-N 2.63Å; Y113-I119 HydrophobicContact CD1-CB 4.41Å; Y113-I119 HydrophobicContact CD1-CD1 4Å; Y113-I119 HydrophobicContact CD2-CD1 4.11Å; Y113-I119 HydrophobicContact CE1-CD1 3.92Å; Y113-I119 HydrophobicContact CE2-CD1 4.06Å; Y113-I119 HydrophobicContact CG-CD1 4.1Å; Y113-I119 PolarHBondContact O-N 3.23Å; I119-K121 PolarHBondContact O-N 2.93Å; I119-K122 PolarHBondContact O-N 2.87Å; I119-V123 HydrophobicContact CG2-CB 4.19Å; I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 WeakPolarHBondContact O-CB 3.33Å; I119-V123 PolarHBondContact O-N 3.01Å; I119-L129 HydrophobicContact CG2-CD1 3.75Å; I119-L129 HydrophobicContact CG2-CD2 4.03Å
120	L	98.7	Very high	98.6	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.099	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.1	-14.5	-175.2	-65.4	177.4	0	0	0	113.8	Y113 G118 V123 E146 V147 M150	Y113-L120 VanDerWaalsContact O-CB 3.31Å; Y113-L120 WeakPolarHBondContact O-CB 3.46Å; Y113-L120 VanDerWaalsContact O-CG 3.28Å; Y113-L120 WeakPolarHBondContact O-CG 3.49Å; Y113-L120 PolarHBondContact O-N 3.08Å; G118-L120 PolarHBondContact O-N 3.17Å; G118-L120 VanDerWaalsContact O-N 3.16Å; L120-V123 HydrophobicContact CD2-CG1 4.31Å; L120-E146 HydrophobicContact CD1-CB 3.71Å; L120-V147 HydrophobicContact CD2-CB 4.32Å; L120-V147 HydrophobicContact CD2-CG2 3.69Å; L120-M150 HydrophobicContact CD2-CG 3.94Å
121	K	98.6	Very high	98.6	Very high	124 Å²	124	44.3 Å²	44.3	54%	0.539	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-74.6	-24.7	178.7	-55.5	-55.3	178.8	-169.6	0	113.6	A90 G115 G118 I119	A90-K121 HydrophobicContact CB-CB 4.14Å; G115-K121 WeakPolarHBondContact O-CE 3.4Å; G118-K121 WeakPolarHBondContact O-CB 3.32Å; G118-K121 WeakPolarHBondContact O-CG 3.32Å; G118-K121 PolarHBondContact O-N 2.88Å; I119-K121 PolarHBondContact O-N 2.93Å
122	K	98.7	Very high	98.6	Very high	84 Å²	84	38.7 Å²	38.7	37%	0.365	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	9.4	-176.2	-66.3	-172.2	-177	177.2	0	114.1	A90 D91 E94 I119	A90-K122 HydrophobicContact CB-CB 4.35Å; A90-K122 HydrophobicContact CB-CD 4.1Å; A90-K122 HydrophobicContact CB-CG 4.08Å; A90-K122 WeakPolarHBondContact O-CB 3.38Å; D91-K122 IonicContact OD1-NZ 2.64Å; D91-K122 PolarHBondContact OD1-NZ 2.95Å; E94-K122 HydrophobicContact CB-CB 4.16Å; E94-K122 HydrophobicContact CB-CD 3.86Å; E94-K122 HydrophobicContact CG-CD 4.24Å; E94-K122 WeakPolarHBondContact OE2-CD 3.37Å; E94-K122 IonicContact OE2-NZ 2.76Å; E94-K122 PolarHBondContact OE2-NZ 3.42Å; I119-K122 PolarHBondContact O-N 2.87Å
123	V	98.6	Very high	98.6	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.085	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-60.4	138.3	177.8	68.3	0	0	0	0	111.5	A93 I119 L120 L129 M150 A152	A93-V123 HydrophobicContact CB-CB 4.38Å; I119-V123 HydrophobicContact CG2-CB 4.19Å; I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 WeakPolarHBondContact O-CB 3.33Å; I119-V123 PolarHBondContact O-N 3.01Å; L120-V123 HydrophobicContact CD2-CG1 4.31Å; V123-L129 HydrophobicContact CG2-CD1 4.17Å; V123-L129 HydrophobicContact CG2-CD2 4.3Å; V123-M150 HydrophobicContact CG1-CB 3.64Å; V123-M150 HydrophobicContact CG1-CE 4.46Å; V123-M150 HydrophobicContact CG1-CG 3.98Å; V123-A152 HydrophobicContact CG2-CB 3.96Å
124	K	98.4	Very high	98.6	Very high	67 Å²	67	38.8 Å²	38.8	29%	0.291	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-87.6	152.4	177.7	-72.7	167.3	-79.3	175	0	110.8	A93 E94 D97 S127	A93-K124 VanDerWaalsContact O-CE 3.24Å; A93-K124 WeakPolarHBondContact O-CE 3.33Å; E94-K124 WeakPolarHBondContact O-CE 3.4Å; E94-K124 PolarHBondContact O-NZ 2.82Å; D97-K124 VanDerWaalsContact OD1-CD 3.29Å; D97-K124 WeakPolarHBondContact OD1-CD 3.29Å; D97-K124 WeakPolarHBondContact OD1-CE 3.46Å; D97-K124 IonicContact OD1-NZ 3.78Å; D97-K124 PolarHBondContact OD1-NZ 3.17Å; D97-K124 IonicContact OD2-NZ 2.74Å; K124-S127 WeakPolarHBondContact O-CB 3.41Å; K124-S127 PolarHBondContact O-N 2.81Å; K124-S127 PolarHBondContact O-OG 3.42Å
125	K	98.2	Very high	98.5	Very high	183 Å²	183	36.6 Å²	36.6	80%	0.796	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	138.9	171.8	-71.5	-175.8	174.9	-177.9	0	110	S127 G151	K125-S127 VanDerWaalsContact C-N 3.26Å; K125-S127 PolarHBondContact O-N 2.9Å; K125-G151 CarbonylContact C-O 3.57Å; K125-G151 WeakPolarHBondContact CA-O 3.49Å
126	G	97.8	Very high	98.5	Very high	63 Å²	63	37.8 Å²	37.8	65%	0.649	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	6	-176.5	0	0	0	0	0	114.6	G151	G126-G151 PolarHBondContact N-O 2.55Å
127	S	98.5	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.			trans	-67.2	143.8	174.7	-66.7	0	0	0	0	112.1	D97 K124 K125 A152 V153	D97-S127 CarbonylContact O-C 3.57Å; D97-S127 WeakPolarHBondContact O-CA 3.19Å; D97-S127 WeakPolarHBondContact O-CB 3.23Å; K124-S127 WeakPolarHBondContact O-CB 3.41Å; K124-S127 PolarHBondContact O-N 2.81Å; K124-S127 PolarHBondContact O-OG 3.42Å; K125-S127 VanDerWaalsContact C-N 3.26Å; K125-S127 PolarHBondContact O-N 2.9Å; S127-A152 WeakPolarHBondContact O-CB 3.44Å; S127-V153 PolarHBondContact O-N 2.89Å
128	L	98.7	Very high	98.4	Very high	9 Å²	9	32 Å²	32	5%	0.047	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.5	174.2	177.2	63.2	0	0	0	110	D97 R98 I99 I130 V153 M155 A184 A185	D97-L128 PolarHBondContact O-N 2.99Å; R98-L128 CarbonylContact C-O 3.56Å; R98-L128 VanDerWaalsContact CA-O 3.27Å; R98-L128 WeakPolarHBondContact CA-O 3.49Å; R98-L128 HydrophobicContact CG-CB 4.25Å; I99-L128 PolarHBondContact N-O 2.84Å; L128-I130 HydrophobicContact CD1-CG1 4.38Å; L128-I130 HydrophobicContact CD2-CD1 4.1Å; L128-I130 HydrophobicContact CD2-CG1 4.46Å; L128-I130 HydrophobicContact CG-CD1 4.25Å; L128-I130 HydrophobicContact CG-CG1 4.08Å; L128-V153 HydrophobicContact CD1-CB 4.15Å; L128-V153 HydrophobicContact CD1-CG1 3.8Å; L128-M155 HydrophobicContact CD1-CG 4.16Å; L128-M155 HydrophobicContact CD1-SD 4.07Å; L128-A184 HydrophobicContact CD2-CB 4.16Å; L128-A185 HydrophobicContact CD2-CB 4.39Å
129	L	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.9	180	-50.8	-177.7	0	0	0	109.7	I99 Y113 I119 V123 V147 V153 F154 M155	I99-L129 HydrophobicContact CB-CD2 3.77Å; I99-L129 HydrophobicContact CD1-CD2 3.63Å; I99-L129 HydrophobicContact CG1-CD2 3.82Å; Y113-L129 HydrophobicContact CD1-CD1 4.24Å; Y113-L129 HydrophobicContact CE1-CB 3.98Å; Y113-L129 HydrophobicContact CE1-CD1 3.72Å; Y113-L129 HydrophobicContact CE1-CG 4.48Å; I119-L129 HydrophobicContact CG2-CD1 3.75Å; I119-L129 HydrophobicContact CG2-CD2 4.03Å; V123-L129 HydrophobicContact CG2-CD1 4.17Å; V123-L129 HydrophobicContact CG2-CD2 4.3Å; L129-V147 HydrophobicContact CD1-CB 4.44Å; L129-V147 HydrophobicContact CD1-CG1 3.74Å; L129-V147 HydrophobicContact CD1-CG2 3.75Å; L129-V147 HydrophobicContact CG-CG1 4.39Å; L129-V153 WeakPolarHBondContact CB-O 3.43Å; L129-V153 PolarHBondContact N-O 2.9Å; L129-F154 CarbonylContact O-C 3.57Å; L129-F154 WeakPolarHBondContact O-CA 3.46Å; L129-M155 PolarHBondContact O-N 2.84Å
130	I	98.9	Very high	98.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.9	-177.2	-57.2	172.9	0	0	0	109.1	I99 I100 T101 L128 M155 A157 A185 L188 L189	I99-I130 PolarHBondContact O-N 2.81Å; I100-I130 VanDerWaalsContact CA-O 3.28Å; I100-I130 WeakPolarHBondContact CA-O 3.28Å; T101-I130 PolarHBondContact N-O 3.3Å; L128-I130 HydrophobicContact CD1-CG1 4.38Å; L128-I130 HydrophobicContact CD2-CD1 4.1Å; L128-I130 HydrophobicContact CD2-CG1 4.46Å; L128-I130 HydrophobicContact CG-CD1 4.25Å; L128-I130 HydrophobicContact CG-CG1 4.08Å; I130-M155 CarbonylContact C-O 3.54Å; I130-M155 WeakPolarHBondContact CA-O 3.11Å; I130-A157 HydrophobicContact CG2-CB 3.46Å; I130-A157 VanDerWaalsContact CG2-CB 3.46Å; I130-A185 HydrophobicContact CD1-CB 3.87Å; I130-L188 HydrophobicContact CD1-CD2 4.42Å; I130-L189 HydrophobicContact CD1-CD2 4.38Å; I130-L189 HydrophobicContact CD1-CG 4.34Å; I130-L189 HydrophobicContact CG2-CD1 4.47Å; I130-L189 HydrophobicContact CG2-CD2 4.11Å
131	D	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.9	173.8	-174.4	33.9	0	0	0	111.1	T101 Y113 S133 I135 F154 M155 A157	T101-D131 VanDerWaalsContact OG1-CA 3.29Å; T101-D131 WeakPolarHBondContact OG1-CA 3.27Å; T101-D131 WeakPolarHBondContact OG1-CB 3.21Å; T101-D131 VanDerWaalsContact OG1-CG 3.3Å; T101-D131 PolarHBondContact OG1-OD1 2.64Å; Y113-D131 HydrophobicContact CE2-CB 4.39Å; D131-S133 VanDerWaalsContact C-N 3.33Å; D131-S133 WeakPolarHBondContact OD1-CB 3.38Å; D131-S133 PolarHBondContact OD1-N 2.97Å; D131-S133 VanDerWaalsContact OD1-N 3.17Å; D131-S133 PolarHBondContact OD1-OG 3.49Å; D131-I135 WeakPolarHBondContact OD2-CD1 3.41Å; D131-F154 HydrophobicContact CB-CE2 3.85Å; D131-F154 HydrophobicContact CB-CZ 3.65Å; D131-M155 PolarHBondContact N-O 3.3Å; D131-A157 PolarHBondContact O-N 3.41Å
132	S	98.8	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.			trans	-89.5	1.2	175	-72.2	0	0	0	0	113.6	T101 M102 A157	T101-S132 PolarHBondContact O-N 3.36Å; M102-S132 VanDerWaalsContact SD-C 3.51Å; S132-A157 VanDerWaalsContact CA-O 3.29Å; S132-A157 WeakPolarHBondContact CA-O 3.36Å; S132-A157 WeakPolarHBondContact CB-O 3.47Å; S132-A157 PolarHBondContact OG-O 2.78Å
133	S	98.2	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-58.4	148.7	168.7	-46.4	0	0	0	0	110.5	T101 L103 D131 Q206	T101-S133 PolarHBondContact O-N 3.03Å; L103-S133 WeakPolarHBondContact CA-OG 3.29Å; L103-S133 WeakPolarHBondContact CB-OG 3.43Å; L103-S133 PolarHBondContact N-OG 3.43Å; L103-S133 WeakPolarHBondContact O-CB 3.07Å; D131-S133 VanDerWaalsContact C-N 3.33Å; D131-S133 WeakPolarHBondContact OD1-CB 3.38Å; D131-S133 PolarHBondContact OD1-N 2.97Å; D131-S133 VanDerWaalsContact OD1-N 3.17Å; D131-S133 PolarHBondContact OD1-OG 3.49Å; S133-Q206 PolarHBondContact O-NE2 3.05Å; S133-Q206 PolarHBondContact O-OE1 3.25Å
134	T	98.1	Very high	98.3	Very high	10 Å²	10	33.2 Å²	33.2	6%	0.061	18%	0.182	C	C	.	.			trans	-92	111.1	167.8	-57.1	0	0	0	0	108	K209 K284 D285 L288	T134-K209 HydrophobicContact CG2-CG 3.8Å; T134-K209 PolarHBondContact OG1-NZ 3.43Å; T134-K284 WeakPolarHBondContact O-CE 3.26Å; T134-K284 PolarHBondContact O-NZ 2.83Å; T134-D285 WeakPolarHBondContact CG2-OD1 3.11Å; T134-L288 HydrophobicContact CG2-CD1 4.09Å
135	I	98.2	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.			trans	-137.2	175.3	-173.3	63.2	167.4	0	0	0	110.8	A109 D131 V139 S140 L143 Q206	A109-I135 HydrophobicContact CB-CD1 4.24Å; A109-I135 HydrophobicContact CB-CG2 4.13Å; D131-I135 WeakPolarHBondContact OD2-CD1 3.41Å; I135-V139 HydrophobicContact CD1-CB 4.27Å; I135-V139 HydrophobicContact CD1-CG1 3.94Å; I135-S140 WeakPolarHBondContact CD1-OG 3.3Å; I135-S140 WeakPolarHBondContact CG1-OG 3.47Å; I135-L143 HydrophobicContact CD1-CD1 4.24Å; I135-Q206 HydrophobicContact CG1-CG 4.3Å; I135-Q206 PolarHBondContact O-OE1 3.44Å
136	D	96.7	Very high	98.3	Very high	33 Å²	33	31.3 Å²	31.3	18%	0.176	18%	0.175	C	C	.	.			trans	-63.9	132	175	-169.6	-68.9	0	0	0	110.7	S106 A138 V139 S140 L288	S106-D136 PolarHBondContact OG-N 3.36Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.21Å; D136-A138 WeakPolarHBondContact OD1-CB 3.27Å; D136-A138 PolarHBondContact OD1-N 3.23Å; D136-V139 HydrophobicContact CB-CB 4.31Å; D136-V139 HydrophobicContact CB-CG2 3.96Å; D136-V139 WeakPolarHBondContact O-CB 3.18Å; D136-V139 PolarHBondContact O-N 2.89Å; D136-S140 PolarHBondContact O-N 2.79Å; D136-S140 VanDerWaalsContact O-N 3.14Å; D136-L288 HydrophobicContact CB-CD2 4.02Å
137	P	97.7	Very high	98.4	Very high	16 Å²	16	28.3 Å²	28.3	10%	0.104	14%	0.144	C	C	.	.	H	α-helix	trans	-57.1	-31.2	178.4	-25.2	34	0	0	0	114.4	S140 K141 Q206 I210	P137-S140 PolarHBondContact O-N 2.73Å; P137-K141 WeakPolarHBondContact O-CG 3.38Å; P137-K141 PolarHBondContact O-N 2.79Å; P137-Q206 HydrophobicContact CB-CB 4.23Å; P137-Q206 HydrophobicContact CG-CB 3.85Å; P137-I210 HydrophobicContact CG-CD1 3.86Å
138	A	97	Very high	98.4	Very high	47 Å²	47	35.1 Å²	35.1	39%	0.388	18%	0.176	S	C	.	.	H	α-helix	trans	-67.9	-39.7	175.6	0	0	0	0	0	111.2	D136 S140 K141 E142	D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.21Å; D136-A138 WeakPolarHBondContact OD1-CB 3.27Å; D136-A138 PolarHBondContact OD1-N 3.23Å; A138-S140 PolarHBondContact O-N 2.78Å; A138-K141 WeakPolarHBondContact O-CB 3.24Å; A138-K141 PolarHBondContact O-N 2.79Å; A138-K141 VanDerWaalsContact O-N 3.15Å; A138-E142 WeakPolarHBondContact O-CG 3.33Å; A138-E142 PolarHBondContact O-N 3.27Å
139	V	98.1	Very high	98.4	Very high	20 Å²	20	41.6 Å²	41.6	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-40.9	175.1	176.3	0	0	0	0	110.9	I110 I135 D136 K141 E142 L143	I110-V139 HydrophobicContact CD1-CG1 3.72Å; I110-V139 HydrophobicContact CD1-CG2 4.31Å; I110-V139 HydrophobicContact CG1-CG1 3.59Å; I135-V139 HydrophobicContact CD1-CB 4.27Å; I135-V139 HydrophobicContact CD1-CG1 3.94Å; D136-V139 HydrophobicContact CB-CB 4.31Å; D136-V139 HydrophobicContact CB-CG2 3.96Å; D136-V139 WeakPolarHBondContact O-CB 3.18Å; D136-V139 PolarHBondContact O-N 2.89Å; V139-K141 VanDerWaalsContact C-N 3.28Å; V139-K141 PolarHBondContact O-N 3.01Å; V139-E142 PolarHBondContact O-N 2.96Å; V139-L143 HydrophobicContact CG1-CD1 4.24Å; V139-L143 HydrophobicContact CG1-CG 4.37Å; V139-L143 WeakPolarHBondContact O-CG 3.36Å; V139-L143 PolarHBondContact O-N 3.39Å
140	S	98.6	Very high	98.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.8	-41	172.7	-64.3	0	0	0	0	112.2	I135 D136 P137 A138 A144 V202 Q206	I135-S140 WeakPolarHBondContact CD1-OG 3.3Å; I135-S140 WeakPolarHBondContact CG1-OG 3.47Å; D136-S140 PolarHBondContact O-N 2.79Å; D136-S140 VanDerWaalsContact O-N 3.14Å; P137-S140 PolarHBondContact O-N 2.73Å; A138-S140 PolarHBondContact O-N 2.78Å; S140-A144 WeakPolarHBondContact O-CB 3.41Å; S140-A144 PolarHBondContact O-N 3.27Å; S140-V202 WeakPolarHBondContact O-CG1 3.25Å; S140-Q206 WeakPolarHBondContact OG-CG 3.28Å
141	K	98.6	Very high	98.3	Very high	110 Å²	110	47.2 Å²	47.2	48%	0.478	24%	0.241	S	C	.	.	H	α-helix	trans	-68.6	-37	177.2	-68.4	169.2	-175	176.9	0	112.5	P137 A138 V139 K145 V202	P137-K141 WeakPolarHBondContact O-CG 3.38Å; P137-K141 PolarHBondContact O-N 2.79Å; A138-K141 WeakPolarHBondContact O-CB 3.24Å; A138-K141 PolarHBondContact O-N 2.79Å; A138-K141 VanDerWaalsContact O-N 3.15Å; V139-K141 VanDerWaalsContact C-N 3.28Å; V139-K141 PolarHBondContact O-N 3.01Å; K141-K145 WeakPolarHBondContact O-CG 3.43Å; K141-K145 PolarHBondContact O-N 2.67Å; K141-K145 VanDerWaalsContact O-N 3.17Å; K141-V202 WeakPolarHBondContact CE-O 3.1Å; K141-V202 HydrophobicContact CG-CG1 4.27Å; K141-V202 WeakPolarHBondContact CG-O 3.28Å
142	E	98.4	Very high	98.3	Very high	117 Å²	117	47.6 Å²	47.6	55%	0.547	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-48	174.2	-73	175.1	-174.7	0	0	111.2	A138 V139 A144 K145 E146	A138-E142 WeakPolarHBondContact O-CG 3.33Å; A138-E142 PolarHBondContact O-N 3.27Å; V139-E142 PolarHBondContact O-N 2.96Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 3.4Å; E142-K145 PolarHBondContact O-N 3.19Å; E142-E146 PolarHBondContact O-N 2.99Å; E142-E146 VanDerWaalsContact O-N 3.13Å
143	L	98.7	Very high	98.3	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-44.8	175.2	-72.5	177.9	0	0	0	111.7	A109 Y113 I135 V139 K145 E146 V147 F154	A109-L143 HydrophobicContact CB-CD1 4.31Å; Y113-L143 HydrophobicContact CD2-CD1 4.21Å; Y113-L143 HydrophobicContact CD2-CD2 4.48Å; Y113-L143 HydrophobicContact CG-CD1 4.48Å; Y113-L143 HydrophobicContact CG-CD2 4.04Å; I135-L143 HydrophobicContact CD1-CD1 4.24Å; V139-L143 HydrophobicContact CG1-CD1 4.24Å; V139-L143 HydrophobicContact CG1-CG 4.37Å; V139-L143 WeakPolarHBondContact O-CG 3.36Å; V139-L143 PolarHBondContact O-N 3.39Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 2.84Å; L143-E146 PolarHBondContact O-N 2.98Å; L143-E146 VanDerWaalsContact O-N 3.17Å; L143-V147 WeakPolarHBondContact O-CB 3.45Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 3.15Å; L143-F154 HydrophobicContact CB-CD2 4.29Å; L143-F154 HydrophobicContact CB-CE2 3.86Å; L143-F154 HydrophobicContact CB-CZ 4.05Å; L143-F154 HydrophobicContact CD1-CE2 4.16Å; L143-F154 HydrophobicContact CD1-CZ 4.22Å
144	A	98.8	Very high	98.3	Very high	16 Å²	16	49.5 Å²	49.5	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-41.7	177.7	0	0	0	0	0	113	S140 E142 E146 V147 E148 F154 V202	S140-A144 WeakPolarHBondContact O-CB 3.41Å; S140-A144 PolarHBondContact O-N 3.27Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 3.4Å; A144-E146 PolarHBondContact O-N 3.08Å; A144-V147 PolarHBondContact O-N 3.08Å; A144-E148 VanDerWaalsContact O-CB 3.31Å; A144-E148 WeakPolarHBondContact O-CB 3.19Å; A144-E148 PolarHBondContact O-N 3.35Å; A144-F154 HydrophobicContact CB-CB 3.86Å; A144-F154 HydrophobicContact CB-CD1 3.73Å; A144-F154 HydrophobicContact CB-CG 4.02Å; A144-V202 HydrophobicContact CB-CB 4.25Å; A144-V202 HydrophobicContact CB-CG1 3.78Å; A144-V202 HydrophobicContact CB-CG2 3.92Å
145	K	98.7	Very high	98.3	Very high	132 Å²	132	49 Å²	49	57%	0.574	25%	0.253	S	S	*	.	H	α-helix	trans	-62.7	-41.4	175.7	-72.8	174.7	-179.3	178.8	0	112.2	K141 E142 L143 K149	K141-K145 WeakPolarHBondContact O-CG 3.43Å; K141-K145 PolarHBondContact O-N 2.67Å; K141-K145 VanDerWaalsContact O-N 3.17Å; E142-K145 PolarHBondContact O-N 3.19Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 2.84Å; K145-K149 WeakPolarHBondContact O-CG 3.43Å; K145-K149 PolarHBondContact O-N 3.34Å
146	E	98.7	Very high	98.4	Very high	77 Å²	77	49 Å²	49	36%	0.36	25%	0.253	S	S	.	.	H	α-helix	trans	-69.3	-36.1	177.6	-63	-51.9	135.1	0	0	112.3	L120 E142 L143 A144 K149	L120-E146 HydrophobicContact CD1-CB 3.71Å; E142-E146 PolarHBondContact O-N 2.99Å; E142-E146 VanDerWaalsContact O-N 3.13Å; L143-E146 PolarHBondContact O-N 2.98Å; L143-E146 VanDerWaalsContact O-N 3.17Å; A144-E146 PolarHBondContact O-N 3.08Å; E146-K149 IonicContact OE1-NZ 2.94Å; E146-K149 PolarHBondContact OE1-NZ 3.41Å; E146-K149 IonicContact OE2-NZ 2.67Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å
147	V	98.7	Very high	98.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-42.3	174.6	172.1	0	0	0	0	111.4	Y113 L120 L129 L143 A144 K149 M150 G151 A152 F154	Y113-V147 HydrophobicContact CD1-CG2 4.04Å; Y113-V147 HydrophobicContact CE1-CG2 4.2Å; L120-V147 HydrophobicContact CD2-CB 4.32Å; L120-V147 HydrophobicContact CD2-CG2 3.69Å; L129-V147 HydrophobicContact CD1-CB 4.44Å; L129-V147 HydrophobicContact CD1-CG1 3.74Å; L129-V147 HydrophobicContact CD1-CG2 3.75Å; L129-V147 HydrophobicContact CG-CG1 4.39Å; L143-V147 WeakPolarHBondContact O-CB 3.45Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 3.15Å; A144-V147 PolarHBondContact O-N 3.08Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 3.08Å; V147-M150 WeakPolarHBondContact O-CB 3.37Å; V147-M150 PolarHBondContact O-N 3.34Å; V147-G151 PolarHBondContact O-N 2.84Å; V147-A152 HydrophobicContact CG1-CB 3.69Å; V147-A152 PolarHBondContact O-N 3.09Å; V147-F154 HydrophobicContact CB-CB 3.97Å; V147-F154 HydrophobicContact CG1-CB 3.94Å; V147-F154 HydrophobicContact CG2-CB 4.16Å; V147-F154 HydrophobicContact CG2-CD2 4.06Å
148	E	98.3	Very high	98.5	Very high	143 Å²	143	46.7 Å²	46.7	67%	0.668	24%	0.239	S	C	*	.	H	α-helix	trans	-61.4	-39	178.4	-174.3	-179.8	-169.7	0	0	111.7	A144 M150 G151	A144-E148 VanDerWaalsContact O-CB 3.31Å; A144-E148 WeakPolarHBondContact O-CB 3.19Å; A144-E148 PolarHBondContact O-N 3.35Å; E148-M150 PolarHBondContact O-N 2.69Å; E148-G151 WeakPolarHBondContact O-CA 3.41Å; E148-G151 PolarHBondContact O-N 2.94Å
149	K	98.5	Very high	98.6	Very high	145 Å²	145	44.7 Å²	44.7	63%	0.63	22%	0.222	S	C	*	.	H	α-helix	trans	-58.4	-29.1	173.9	-70.6	171.5	-167	172.5	0	113.1	K145 E146 V147 G151	K145-K149 WeakPolarHBondContact O-CG 3.43Å; K145-K149 PolarHBondContact O-N 3.34Å; E146-K149 IonicContact OE1-NZ 2.94Å; E146-K149 PolarHBondContact OE1-NZ 3.41Å; E146-K149 IonicContact OE2-NZ 2.67Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 3.08Å; K149-G151 VanDerWaalsContact C-N 3.26Å
150	M	98.3	Very high	98.3	Very high	81 Å²	81	45.6 Å²	45.6	40%	0.399	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.4	176.6	-57.3	-53.4	-65.1	0	0	112.9	L120 V123 V147 E148	L120-M150 HydrophobicContact CD2-CG 3.94Å; V123-M150 HydrophobicContact CG1-CB 3.64Å; V123-M150 HydrophobicContact CG1-CE 4.46Å; V123-M150 HydrophobicContact CG1-CG 3.98Å; V147-M150 WeakPolarHBondContact O-CB 3.37Å; V147-M150 PolarHBondContact O-N 3.34Å; E148-M150 PolarHBondContact O-N 2.69Å
151	G	98.3	Very high	97.9	Very high	39 Å²	39	48 Å²	48	40%	0.402	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	28.5	-177	0	0	0	0	0	113.2	K125 G126 V147 E148 K149	K125-G151 CarbonylContact C-O 3.57Å; K125-G151 WeakPolarHBondContact CA-O 3.49Å; G126-G151 PolarHBondContact N-O 2.55Å; V147-G151 PolarHBondContact O-N 2.84Å; E148-G151 WeakPolarHBondContact O-CA 3.41Å; E148-G151 PolarHBondContact O-N 2.94Å; K149-G151 VanDerWaalsContact C-N 3.26Å
152	A	98.6	Very high	97.3	Very high	8 Å²	8	44 Å²	44	7%	0.066	24%	0.244	C	C	.	.			trans	-114.9	171.8	175.1	0	0	0	0	0	110.6	V123 S127 V147	V123-A152 HydrophobicContact CG2-CB 3.96Å; S127-A152 WeakPolarHBondContact O-CB 3.44Å; V147-A152 HydrophobicContact CG1-CB 3.69Å; V147-A152 PolarHBondContact O-N 3.09Å
153	V	98.6	Very high	96.8	Very high	32 Å²	32	40 Å²	40	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.8	-179.3	176	0	0	0	0	109.7	S127 L128 L129 M155 E181	S127-V153 PolarHBondContact O-N 2.89Å; L128-V153 HydrophobicContact CD1-CB 4.15Å; L128-V153 HydrophobicContact CD1-CG1 3.8Å; L129-V153 WeakPolarHBondContact CB-O 3.43Å; L129-V153 PolarHBondContact N-O 2.9Å; V153-M155 HydrophobicContact CG1-CG 4.26Å; V153-E181 HydrophobicContact CG1-CB 4.03Å; V153-E181 HydrophobicContact CG1-CG 3.75Å; V153-E181 HydrophobicContact CG2-CG 4.08Å
154	F	98.9	Very high	96.3	Very high	9 Å²	9	42.2 Å²	42.2	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.4	171.7	-178.2	-85.4	0	0	0	110.9	Y113 L129 D131 L143 A144 V147 D156 V202	Y113-F154 AromaticContact CE1-CD2 3.8Å; Y113-F154 HydrophobicContact CE1-CD2 3.8Å; Y113-F154 AromaticContact CE1-CE2 3.79Å; Y113-F154 HydrophobicContact CE1-CE2 3.79Å; Y113-F154 HydrophobicContact CE2-CE2 4.24Å; Y113-F154 AromaticContact CZ-CE2 3.64Å; L129-F154 CarbonylContact O-C 3.57Å; L129-F154 WeakPolarHBondContact O-CA 3.46Å; D131-F154 HydrophobicContact CB-CE2 3.85Å; D131-F154 HydrophobicContact CB-CZ 3.65Å; L143-F154 HydrophobicContact CB-CD2 4.29Å; L143-F154 HydrophobicContact CB-CE2 3.86Å; L143-F154 HydrophobicContact CB-CZ 4.05Å; L143-F154 HydrophobicContact CD1-CE2 4.16Å; L143-F154 HydrophobicContact CD1-CZ 4.22Å; A144-F154 HydrophobicContact CB-CB 3.86Å; A144-F154 HydrophobicContact CB-CD1 3.73Å; A144-F154 HydrophobicContact CB-CG 4.02Å; V147-F154 HydrophobicContact CB-CB 3.97Å; V147-F154 HydrophobicContact CG1-CB 3.94Å; V147-F154 HydrophobicContact CG2-CB 4.16Å; V147-F154 HydrophobicContact CG2-CD2 4.06Å; F154-D156 HydrophobicContact CE1-CB 4.27Å; F154-V202 HydrophobicContact CD1-CG1 4Å; F154-V202 HydrophobicContact CE1-CG1 4.09Å
155	M	98.9	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.4	170.2	-56.3	-170.2	86.3	0	0	110.3	L128 L129 I130 D131 V153 V175 G176 E181 F182 A185	L128-M155 HydrophobicContact CD1-CG 4.16Å; L128-M155 HydrophobicContact CD1-SD 4.07Å; L129-M155 PolarHBondContact O-N 2.84Å; I130-M155 CarbonylContact C-O 3.54Å; I130-M155 WeakPolarHBondContact CA-O 3.11Å; D131-M155 PolarHBondContact N-O 3.3Å; V153-M155 HydrophobicContact CG1-CG 4.26Å; M155-V175 HydrophobicContact CB-CG1 4.36Å; M155-V175 HydrophobicContact CE-CG1 3.58Å; M155-V175 HydrophobicContact SD-CG1 4.31Å; M155-G176 CarbonylContact C-O 3.59Å; M155-G176 WeakPolarHBondContact CA-O 3.43Å; M155-G176 WeakPolarHBondContact CB-O 3.42Å; M155-E181 HydrophobicContact SD-CB 4.11Å; M155-F182 HydrophobicContact CE-CB 4.3Å; M155-A185 HydrophobicContact SD-CB 3.59Å; M155-A185 VanDerWaalsContact SD-CB 3.59Å
156	D	98.9	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.5	166.4	57.9	-64	0	0	0	109.5	F154 V175 G176 V202 G203 G205 Q206	F154-D156 HydrophobicContact CE1-CB 4.27Å; D156-V175 CarbonylContact O-C 3.42Å; D156-V175 VanDerWaalsContact O-CA 3.25Å; D156-V175 WeakPolarHBondContact O-CA 3.34Å; D156-G176 PolarHBondContact N-O 2.91Å; D156-G176 PolarHBondContact O-N 2.86Å; D156-G176 VanDerWaalsContact OD1-C 3.32Å; D156-G176 VanDerWaalsContact OD1-CA 3.25Å; D156-G176 WeakPolarHBondContact OD1-CA 3.33Å; D156-G176 VanDerWaalsContact OD1-O 3.08Å; D156-V202 WeakPolarHBondContact OD1-CA 3.38Å; D156-G203 VanDerWaalsContact CG-N 3.32Å; D156-G203 PolarHBondContact OD1-N 3.31Å; D156-G203 WeakPolarHBondContact OD2-CA 3.38Å; D156-G203 PolarHBondContact OD2-N 2.9Å; D156-G205 WeakPolarHBondContact OD2-CA 3.37Å; D156-G205 PolarHBondContact OD2-N 3.15Å; D156-Q206 HydrophobicContact CB-CG 3.97Å; D156-Q206 PolarHBondContact OD2-N 3.45Å
157	A	98.9	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.238	C	C	.	.			trans	-136.6	56.7	-179.6	0	0	0	0	0	112.2	I130 D131 S132 F173 M174 V175 L189	I130-A157 HydrophobicContact CG2-CB 3.46Å; I130-A157 VanDerWaalsContact CG2-CB 3.46Å; D131-A157 PolarHBondContact O-N 3.41Å; S132-A157 VanDerWaalsContact CA-O 3.29Å; S132-A157 WeakPolarHBondContact CA-O 3.36Å; S132-A157 WeakPolarHBondContact CB-O 3.47Å; S132-A157 PolarHBondContact OG-O 2.78Å; A157-F173 HydrophobicContact CB-CD1 4.19Å; A157-F173 WeakPolarHBondContact O-CD1 3.49Å; A157-M174 WeakPolarHBondContact CA-O 3.48Å; A157-V175 HydrophobicContact CB-CG1 4.45Å; A157-V175 HydrophobicContact CB-CG2 4.03Å; A157-L189 HydrophobicContact CB-CD1 3.78Å
158	P	98.7	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.261	C	S	.	.			trans	-59.5	151.5	177.8	27.2	-38.8	0	0	0	112.6	M174 G205 K209	P158-M174 WeakPolarHBondContact CD-O 3.43Å; P158-M174 HydrophobicContact CG-CB 4.49Å; P158-M174 PolarHBondContact O-N 2.96Å; P158-M174 VanDerWaalsContact O-N 3.09Å; P158-G205 VanDerWaalsContact CG-O 3.3Å; P158-G205 WeakPolarHBondContact CG-O 3.44Å; P158-K209 HydrophobicContact CB-CB 3.94Å; P158-K209 HydrophobicContact CB-CG 3.97Å; P158-K209 HydrophobicContact CG-CB 3.81Å; P158-K209 HydrophobicContact CG-CG 4.41Å
159	V	97.9	Very high	95.6	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.5	-171.5	-61.5	0	0	0	0	113.9	M50 M54 M102 L171 T172 F173 K209	M50-V159 HydrophobicContact CE-CG2 3.79Å; M54-V159 HydrophobicContact CE-CG1 4.36Å; M102-V159 HydrophobicContact CE-CG2 3.69Å; V159-L171 HydrophobicContact CB-CD1 4.37Å; V159-L171 HydrophobicContact CB-CD2 4.31Å; V159-L171 HydrophobicContact CG1-CD1 4.19Å; V159-T172 CarbonylContact C-O 3.6Å; V159-T172 VanDerWaalsContact CA-O 3.31Å; V159-T172 WeakPolarHBondContact CA-O 3.45Å; V159-F173 HydrophobicContact CG1-CD1 3.44Å; V159-F173 VanDerWaalsContact CG1-CD1 3.44Å; V159-F173 HydrophobicContact CG1-CE1 3.16Å; V159-F173 HydrophobicContact CG1-CE2 4.35Å; V159-F173 HydrophobicContact CG1-CG 4.14Å; V159-F173 HydrophobicContact CG1-CZ 3.68Å; V159-K209 WeakPolarHBondContact O-CE 3.47Å; V159-K209 PolarHBondContact O-NZ 2.89Å
160	S	93.5	Very high	95.6	Very high	38 Å²	38	34.9 Å²	34.9	27%	0.266	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.4	166.1	-165.4	0	0	0	0	111.2	L171 T172	S160-L171 WeakPolarHBondContact O-CD2 3.5Å; S160-T172 PolarHBondContact N-O 3.16Å; S160-T172 PolarHBondContact O-N 3.35Å
161	G	88.4	Confident	95.5	Very high	51 Å²	51	31 Å²	31	53%	0.526	21%	0.21	S	C	.	.	S	Bend	trans	119.9	-12.1	177.8	0	0	0	0	0	116.2	A165	G161-A165 VanDerWaalsContact C-CB 3.5Å; G161-A165 WeakPolarHBondContact O-CB 3.44Å
162	G	86.5	Confident	95.6	Very high	26 Å²	26	31.3 Å²	31.3	27%	0.268	20%	0.204	S	C	.	.	H	α-helix	trans	68.4	-169.8	175.9	0	0	0	0	0	115	G164 A165 A166	G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 2.67Å; G162-A165 PolarHBondContact O-N 2.9Å; G162-A166 PolarHBondContact O-N 3.18Å
163	V	88.4	Confident	95.6	Very high	33 Å²	33	30.9 Å²	30.9	20%	0.2	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-34	-171.1	-178.8	0	0	0	0	112.7	N49 M50 A166 R167	N49-V163 HydrophobicContact CB-CG2 4.04Å; M50-V163 HydrophobicContact SD-CG2 3.97Å; V163-A166 PolarHBondContact O-N 3.35Å; V163-R167 WeakPolarHBondContact O-CG 3.29Å; V163-R167 PolarHBondContact O-N 2.99Å
164	G	87.8	Confident	95.6	Very high	52 Å²	52	30.3 Å²	30.3	54%	0.536	20%	0.196	S	C	.	.	H	α-helix	trans	-64.4	-45.9	176.6	0	0	0	0	0	112.6	G162 R167 S168	G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 2.67Å; G164-R167 PolarHBondContact O-N 3.48Å; G164-S168 PolarHBondContact O-N 2.89Å; G164-S168 VanDerWaalsContact O-N 3.09Å; G164-S168 PolarHBondContact O-OG 2.8Å
165	A	92.7	Very high	95.6	Very high	15 Å²	15	29.9 Å²	29.9	12%	0.124	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-39.1	174.2	0	0	0	0	0	111.7	G161 G162 R167 S168 G169 N170 L171	G161-A165 VanDerWaalsContact C-CB 3.5Å; G161-A165 WeakPolarHBondContact O-CB 3.44Å; G162-A165 PolarHBondContact O-N 2.9Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 2.84Å; A165-S168 WeakPolarHBondContact CA-OG 3.24Å; A165-S168 PolarHBondContact O-N 2.73Å; A165-S168 PolarHBondContact O-OG 3.13Å; A165-G169 PolarHBondContact O-N 2.92Å; A165-N170 PolarHBondContact O-N 3.49Å; A165-L171 HydrophobicContact CB-CD2 3.78Å; A165-L171 HydrophobicContact CB-CG 4.33Å
166	A	95.6	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-42.5	175.6	0	0	0	0	0	112.1	M50 P53 M54 N57 G162 V163 L171	M50-A166 HydrophobicContact CE-CB 3.86Å; M50-A166 HydrophobicContact SD-CB 4.16Å; P53-A166 HydrophobicContact CB-CB 4.25Å; P53-A166 HydrophobicContact CG-CB 3.76Å; M54-A166 HydrophobicContact CG-CB 4.47Å; N57-A166 PolarHBondContact ND2-O 3.06Å; G162-A166 PolarHBondContact O-N 3.18Å; V163-A166 PolarHBondContact O-N 3.35Å; A166-L171 HydrophobicContact CB-CD1 4.02Å; A166-L171 HydrophobicContact CB-CD2 4.12Å; A166-L171 HydrophobicContact CB-CG 4.29Å
167	R	95.5	Very high	95.6	Very high	172 Å²	172	30.1 Å²	30.1	65%	0.649	20%	0.196	S	C	*	.	H	α-helix	trans	-68.2	-39.2	176.9	-73.4	174.5	-176.8	176.2	1.6	113.2	P53 V163 G164 A165	P53-R167 HydrophobicContact CB-CB 4.37Å; P53-R167 HydrophobicContact CB-CG 3.7Å; P53-R167 HydrophobicContact CG-CG 4.26Å; V163-R167 WeakPolarHBondContact O-CG 3.29Å; V163-R167 PolarHBondContact O-N 2.99Å; G164-R167 PolarHBondContact O-N 3.48Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 2.84Å
168	S	96.8	Very high	95.5	Very high	70 Å²	70	34.2 Å²	34.2	49%	0.49	22%	0.221	S	C	.	.	H	α-helix	trans	-84.5	-9.6	-176.3	57.7	0	0	0	0	114.4	G164 A165 N170	G164-S168 PolarHBondContact O-N 2.89Å; G164-S168 VanDerWaalsContact O-N 3.09Å; G164-S168 PolarHBondContact O-OG 2.8Å; A165-S168 WeakPolarHBondContact CA-OG 3.24Å; A165-S168 PolarHBondContact O-N 2.73Å; A165-S168 PolarHBondContact O-OG 3.13Å; S168-N170 WeakPolarHBondContact CB-ND2 3.5Å; S168-N170 PolarHBondContact OG-ND2 3.45Å; S168-N170 VanDerWaalsContact OG-ND2 3.16Å
169	G	97.8	Very high	95.5	Very high	16 Å²	16	40.2 Å²	40.2	17%	0.165	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	24.6	-175.7	0	0	0	0	0	113.2	N57 A165 M192 G193 S194	N57-G169 PolarHBondContact ND2-N 2.89Å; A165-G169 PolarHBondContact O-N 2.92Å; G169-M192 CarbonylContact C-O 3.57Å; G169-M192 WeakPolarHBondContact CA-O 3.35Å; G169-G193 CarbonylContact O-C 3.16Å; G169-G193 VanDerWaalsContact O-CA 3.24Å; G169-G193 WeakPolarHBondContact O-CA 3.5Å; G169-G193 PolarHBondContact O-N 2.89Å; G169-S194 PolarHBondContact O-N 3.29Å
170	N	97.9	Very high	95.5	Very high	86 Å²	86	46.9 Å²	46.9	46%	0.46	29%	0.285	S	S	.	.			trans	-111.6	25.1	-176.7	-70.5	-57.1	0	0	0	113	A165 S168 S194	A165-N170 PolarHBondContact O-N 3.49Å; S168-N170 WeakPolarHBondContact CB-ND2 3.5Å; S168-N170 PolarHBondContact OG-ND2 3.45Å; S168-N170 VanDerWaalsContact OG-ND2 3.16Å; N170-S194 WeakPolarHBondContact CA-OG 3.36Å; N170-S194 PolarHBondContact O-OG 3.3Å; N170-S194 WeakPolarHBondContact OD1-CB 3.41Å
171	L	97.9	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	152.1	172.6	-66.8	170.6	0	0	0	111.2	M50 M54 V159 S160 A165 A166 F173 G193 S194 N195	M50-L171 HydrophobicContact CE-CD2 3.76Å; M54-L171 HydrophobicContact CG-CD1 3.77Å; M54-L171 HydrophobicContact SD-CD1 4.01Å; V159-L171 HydrophobicContact CB-CD1 4.37Å; V159-L171 HydrophobicContact CB-CD2 4.31Å; V159-L171 HydrophobicContact CG1-CD1 4.19Å; S160-L171 WeakPolarHBondContact O-CD2 3.5Å; A165-L171 HydrophobicContact CB-CD2 3.78Å; A165-L171 HydrophobicContact CB-CG 4.33Å; A166-L171 HydrophobicContact CB-CD1 4.02Å; A166-L171 HydrophobicContact CB-CD2 4.12Å; A166-L171 HydrophobicContact CB-CG 4.29Å; L171-F173 HydrophobicContact CB-CD2 4.31Å; L171-F173 HydrophobicContact CB-CE2 3.84Å; L171-F173 HydrophobicContact CB-CZ 4.4Å; L171-F173 HydrophobicContact CD1-CE2 4.31Å; L171-F173 HydrophobicContact CD1-CZ 4.11Å; L171-G193 CarbonylContact O-C 3.57Å; L171-G193 WeakPolarHBondContact O-CA 3.3Å; L171-S194 PolarHBondContact O-N 2.89Å; L171-N195 PolarHBondContact O-N 2.94Å
172	T	98.5	Very high	96.2	Very high	44 Å²	44	47.3 Å²	47.3	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.9	161.9	-60.6	0	0	0	0	108.7	V159 S160 N195	V159-T172 CarbonylContact C-O 3.6Å; V159-T172 VanDerWaalsContact CA-O 3.31Å; V159-T172 WeakPolarHBondContact CA-O 3.45Å; S160-T172 PolarHBondContact N-O 3.16Å; S160-T172 PolarHBondContact O-N 3.35Å; T172-N195 CarbonylContact C-O 3.53Å; T172-N195 VanDerWaalsContact CA-O 3.32Å; T172-N195 WeakPolarHBondContact CA-O 3.38Å; T172-N195 HydrophobicContact CG2-CB 4.01Å
173	F	98.8	Very high	96.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130	171.8	-70.4	-93	0	0	0	109.6	M54 A157 V159 L171 V175 L189 M192 N195 V196 V197	M54-F173 HydrophobicContact CE-CE1 4.11Å; M54-F173 HydrophobicContact CE-CZ 4.1Å; A157-F173 HydrophobicContact CB-CD1 4.19Å; A157-F173 WeakPolarHBondContact O-CD1 3.49Å; V159-F173 HydrophobicContact CG1-CD1 3.44Å; V159-F173 VanDerWaalsContact CG1-CD1 3.44Å; V159-F173 HydrophobicContact CG1-CE1 3.16Å; V159-F173 HydrophobicContact CG1-CE2 4.35Å; V159-F173 HydrophobicContact CG1-CG 4.14Å; V159-F173 HydrophobicContact CG1-CZ 3.68Å; L171-F173 HydrophobicContact CB-CD2 4.31Å; L171-F173 HydrophobicContact CB-CE2 3.84Å; L171-F173 HydrophobicContact CB-CZ 4.4Å; L171-F173 HydrophobicContact CD1-CE2 4.31Å; L171-F173 HydrophobicContact CD1-CZ 4.11Å; F173-V175 HydrophobicContact CB-CG2 4.14Å; F173-L189 HydrophobicContact CB-CD1 4.2Å; F173-L189 HydrophobicContact CD1-CB 4.37Å; F173-L189 HydrophobicContact CD1-CD1 4.03Å; F173-L189 HydrophobicContact CD1-CD2 3.66Å; F173-L189 HydrophobicContact CD1-CG 4.23Å; F173-L189 HydrophobicContact CD2-CB 4.18Å; F173-L189 HydrophobicContact CE1-CD2 3.54Å; F173-L189 HydrophobicContact CE1-CG 4.49Å; F173-L189 HydrophobicContact CE2-CB 4.42Å; F173-L189 WeakPolarHBondContact CE2-O 3.34Å; F173-L189 HydrophobicContact CG-CB 4.16Å; F173-L189 HydrophobicContact CG-CD1 4.17Å; F173-L189 HydrophobicContact CG-CD2 4.3Å; F173-L189 HydrophobicContact CG-CG 4.45Å; F173-L189 HydrophobicContact CZ-CD2 4.07Å; F173-M192 HydrophobicContact CE1-CE 4.25Å; F173-M192 HydrophobicContact CE2-CB 3.96Å; F173-M192 HydrophobicContact CZ-CB 3.85Å; F173-M192 HydrophobicContact CZ-CE 3.81Å; F173-N195 PolarHBondContact N-O 3.04Å; F173-V196 HydrophobicContact CB-CG1 4.19Å; F173-V196 HydrophobicContact CB-CG2 4.37Å; F173-V196 HydrophobicContact CD2-CG2 4.3Å; F173-V197 PolarHBondContact O-N 3.09Å
174	M	98.8	Very high	97.1	Very high	20 Å²	20	49.6 Å²	49.6	10%	0.099	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	109.4	173.3	-71.6	160.1	-77.1	0	0	107.5	A157 P158 G205 A208 K209	A157-M174 WeakPolarHBondContact CA-O 3.48Å; P158-M174 WeakPolarHBondContact CD-O 3.43Å; P158-M174 HydrophobicContact CG-CB 4.49Å; P158-M174 PolarHBondContact O-N 2.96Å; P158-M174 VanDerWaalsContact O-N 3.09Å; M174-G205 VanDerWaalsContact O-CA 3.27Å; M174-G205 WeakPolarHBondContact O-CA 3.36Å; M174-A208 HydrophobicContact CB-CB 4.31Å; M174-A208 HydrophobicContact CG-CB 4.22Å; M174-A208 HydrophobicContact SD-CB 3.85Å; M174-K209 HydrophobicContact CE-CB 3.69Å; M174-K209 HydrophobicContact CE-CD 3.62Å; M174-K209 HydrophobicContact CE-CG 4.19Å; M174-K209 HydrophobicContact SD-CB 4.1Å
175	V	98.9	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.6	-163.2	-171.7	0	0	0	0	111.4	M155 D156 A157 F173 F182 L189 V196 V197 C199	M155-V175 HydrophobicContact CB-CG1 4.36Å; M155-V175 HydrophobicContact CE-CG1 3.58Å; M155-V175 HydrophobicContact SD-CG1 4.31Å; D156-V175 CarbonylContact O-C 3.42Å; D156-V175 VanDerWaalsContact O-CA 3.25Å; D156-V175 WeakPolarHBondContact O-CA 3.34Å; A157-V175 HydrophobicContact CB-CG1 4.45Å; A157-V175 HydrophobicContact CB-CG2 4.03Å; F173-V175 HydrophobicContact CB-CG2 4.14Å; V175-F182 HydrophobicContact CB-CD2 4Å; V175-F182 HydrophobicContact CB-CE2 3.78Å; V175-F182 HydrophobicContact CG1-CD2 3.94Å; V175-F182 HydrophobicContact CG1-CE2 4.2Å; V175-F182 HydrophobicContact CG2-CD2 4.47Å; V175-F182 HydrophobicContact CG2-CE2 3.91Å; V175-L189 HydrophobicContact CG2-CD1 3.7Å; V175-V196 HydrophobicContact CG2-CG1 3.7Å; V175-V197 PolarHBondContact N-O 3.35Å; V175-C199 PolarHBondContact O-N 2.91Å
176	G	98.9	Very high	97.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.8	167.5	0	0	0	0	0	111.5	M155 D156 G200	M155-G176 CarbonylContact C-O 3.59Å; M155-G176 WeakPolarHBondContact CA-O 3.43Å; M155-G176 WeakPolarHBondContact CB-O 3.42Å; D156-G176 PolarHBondContact N-O 2.91Å; D156-G176 PolarHBondContact O-N 2.86Å; D156-G176 VanDerWaalsContact OD1-C 3.32Å; D156-G176 VanDerWaalsContact OD1-CA 3.25Å; D156-G176 WeakPolarHBondContact OD1-CA 3.33Å; D156-G176 VanDerWaalsContact OD1-O 3.08Å; G176-G200 CarbonylContact C-O 3.53Å; G176-G200 VanDerWaalsContact CA-O 3.27Å; G176-G200 WeakPolarHBondContact CA-O 3.42Å
177	G	98.6	Very high	98	Very high	4 Å²	4	55.9 Å²	55.9	4%	0.041	30%	0.301	C	S	.	.	S	Bend	trans	167.6	-169.2	-178.6	0	0	0	0	0	113.2	Y198 G200	G177-Y198 PolarHBondContact O-OH 3.26Å; G177-G200 PolarHBondContact N-O 3Å; G177-G200 VanDerWaalsContact O-O 3.13Å
178	V	97.9	Very high	98.1	Very high	87 Å²	87	47.8 Å²	47.8	53%	0.527	27%	0.271	S	S	.	.			trans	-73.3	128.5	166.3	178.6	0	0	0	0	108.1	D180 E181	V178-D180 VanDerWaalsContact C-N 3.28Å; V178-D180 HydrophobicContact CG1-CB 4.29Å; V178-D180 PolarHBondContact O-N 2.89Å; V178-E181 HydrophobicContact CB-CG 4.33Å; V178-E181 PolarHBondContact O-N 2.82Å; V178-E181 VanDerWaalsContact O-N 3.13Å
179	E	97.9	Very high	98.2	Very high	126 Å²	126	44.4 Å²	44.4	59%	0.589	25%	0.247	S	C	*	.	H	α-helix	trans	-58.9	-38	-173.8	-167.4	165.9	179.7	0	0	113	E181 F182 Y198	E179-E181 PolarHBondContact O-N 2.88Å; E179-E181 VanDerWaalsContact O-N 3.11Å; E179-F182 WeakPolarHBondContact O-CB 3.19Å; E179-F182 PolarHBondContact O-N 2.94Å; E179-Y198 HydrophobicContact CB-CE1 3.89Å; E179-Y198 HydrophobicContact CB-CE2 4.35Å; E179-Y198 WeakPolarHBondContact CB-OH 3.37Å; E179-Y198 HydrophobicContact CG-CD1 4.13Å; E179-Y198 HydrophobicContact CG-CE1 3.6Å; E179-Y198 PolarHBondContact N-OH 2.98Å
180	D	98	Very high	98.2	Very high	145 Å²	145	45.5 Å²	45.5	78%	0.775	26%	0.259	S	S	*	.	H	α-helix	trans	-59.1	-26.3	-179.8	-65	-11.3	0	0	0	112.8	V178	V178-D180 VanDerWaalsContact C-N 3.28Å; V178-D180 HydrophobicContact CG1-CB 4.29Å; V178-D180 PolarHBondContact O-N 2.89Å
181	E	97.9	Very high	98.2	Very high	68 Å²	68	42 Å²	42	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-89.4	-11.6	-179.6	-59.9	-66.7	158.9	0	0	112.4	V153 M155 V178 E179 A183 A184 A185	V153-E181 HydrophobicContact CG1-CB 4.03Å; V153-E181 HydrophobicContact CG1-CG 3.75Å; V153-E181 HydrophobicContact CG2-CG 4.08Å; M155-E181 HydrophobicContact SD-CB 4.11Å; V178-E181 HydrophobicContact CB-CG 4.33Å; V178-E181 PolarHBondContact O-N 2.82Å; V178-E181 VanDerWaalsContact O-N 3.13Å; E179-E181 PolarHBondContact O-N 2.88Å; E179-E181 VanDerWaalsContact O-N 3.11Å; E181-A183 VanDerWaalsContact C-N 3.32Å; E181-A183 PolarHBondContact O-N 3.45Å; E181-A184 PolarHBondContact O-N 3.22Å; E181-A185 PolarHBondContact O-N 2.87Å; E181-A185 VanDerWaalsContact O-N 3.09Å
182	F	98.5	Very high	98.3	Very high	30 Å²	30	42 Å²	42	13%	0.132	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-38.1	-175.8	178.2	-105.9	0	0	0	112.5	M155 V175 E179 A184 A185 Q186 V196 Y198	M155-F182 HydrophobicContact CE-CB 4.3Å; V175-F182 HydrophobicContact CB-CD2 4Å; V175-F182 HydrophobicContact CB-CE2 3.78Å; V175-F182 HydrophobicContact CG1-CD2 3.94Å; V175-F182 HydrophobicContact CG1-CE2 4.2Å; V175-F182 HydrophobicContact CG2-CD2 4.47Å; V175-F182 HydrophobicContact CG2-CE2 3.91Å; E179-F182 WeakPolarHBondContact O-CB 3.19Å; E179-F182 PolarHBondContact O-N 2.94Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 3.32Å; F182-A185 PolarHBondContact O-N 3.15Å; F182-Q186 HydrophobicContact CE1-CB 4.45Å; F182-Q186 VanDerWaalsContact O-CB 3.28Å; F182-Q186 WeakPolarHBondContact O-CB 3.47Å; F182-Q186 PolarHBondContact O-N 3.07Å; F182-V196 HydrophobicContact CE2-CG1 3.81Å; F182-V196 HydrophobicContact CZ-CG1 3.9Å; F182-Y198 HydrophobicContact CB-CD2 4.26Å; F182-Y198 AromaticContact CD2-CD2 3.83Å; F182-Y198 HydrophobicContact CD2-CD2 3.83Å; F182-Y198 HydrophobicContact CD2-CG 4.19Å; F182-Y198 HydrophobicContact CE2-CD2 4.46Å; F182-Y198 HydrophobicContact CG-CD2 4.09Å; F182-Y198 HydrophobicContact CG-CG 4.28Å
183	A	98.1	Very high	98.3	Very high	71 Å²	71	40.1 Å²	40.1	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-61.7	-40.7	178.4	0	0	0	0	0	112	E181 Q186 E187	E181-A183 VanDerWaalsContact C-N 3.32Å; E181-A183 PolarHBondContact O-N 3.45Å; A183-Q186 PolarHBondContact O-N 2.99Å; A183-E187 PolarHBondContact O-N 2.8Å
184	A	97.2	Very high	98.2	Very high	36 Å²	36	43.2 Å²	43.2	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-68.6	-40	177	0	0	0	0	0	111.7	L128 E181 F182	L128-A184 HydrophobicContact CD2-CB 4.16Å; E181-A184 PolarHBondContact O-N 3.22Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 3.32Å
185	A	98	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-42.4	173	0	0	0	0	0	111.6	L128 I130 M155 E181 F182 E187 L188 L189	L128-A185 HydrophobicContact CD2-CB 4.39Å; I130-A185 HydrophobicContact CD1-CB 3.87Å; M155-A185 HydrophobicContact SD-CB 3.59Å; M155-A185 VanDerWaalsContact SD-CB 3.59Å; E181-A185 PolarHBondContact O-N 2.87Å; E181-A185 VanDerWaalsContact O-N 3.09Å; F182-A185 PolarHBondContact O-N 3.15Å; A185-E187 PolarHBondContact O-N 3.4Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-L188 VanDerWaalsContact O-N 3.15Å; A185-L189 HydrophobicContact CB-CD1 4.36Å; A185-L189 WeakPolarHBondContact O-CB 3.41Å; A185-L189 VanDerWaalsContact O-CG 3.24Å; A185-L189 WeakPolarHBondContact O-CG 3.32Å; A185-L189 PolarHBondContact O-N 2.89Å
186	Q	98.3	Very high	98.2	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-38.2	-178.4	-176	176	8.6	0	0	112.8	F182 A183 L188 G190 V196	F182-Q186 HydrophobicContact CE1-CB 4.45Å; F182-Q186 VanDerWaalsContact O-CB 3.28Å; F182-Q186 WeakPolarHBondContact O-CB 3.47Å; F182-Q186 PolarHBondContact O-N 3.07Å; A183-Q186 PolarHBondContact O-N 2.99Å; Q186-L188 PolarHBondContact O-N 3.03Å; Q186-G190 PolarHBondContact O-N 2.95Å; Q186-V196 HydrophobicContact CB-CG1 4.33Å; Q186-V196 HydrophobicContact CG-CB 4.12Å; Q186-V196 HydrophobicContact CG-CG1 4.24Å; Q186-V196 HydrophobicContact CG-CG2 4.45Å
187	E	97.5	Very high	98.2	Very high	108 Å²	108	50.9 Å²	50.9	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-42.7	174.6	-174.6	-168.3	166	0	0	111.7	Y63 A183 A185 C191	Y63-E187 PolarHBondContact OH-OE1 3.47Å; A183-E187 PolarHBondContact O-N 2.8Å; A185-E187 PolarHBondContact O-N 3.4Å; E187-C191 PolarHBondContact O-SG 2.72Å
188	L	97.8	Very high	98.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-82	-46.1	-176.7	-174.6	156.3	0	0	0	111.3	V42 L58 R98 I100 I130 A185 Q186 G190 C191 M192	V42-L188 HydrophobicContact CG1-CD1 3.91Å; V42-L188 HydrophobicContact CG2-CD1 3.82Å; L58-L188 HydrophobicContact CD2-CD2 4.18Å; L58-L188 HydrophobicContact CD2-CG 4.16Å; R98-L188 HydrophobicContact CB-CD1 4.23Å; I100-L188 HydrophobicContact CD1-CD2 3.13Å; I100-L188 HydrophobicContact CD1-CG 4.3Å; I100-L188 HydrophobicContact CG1-CD2 3.78Å; I130-L188 HydrophobicContact CD1-CD2 4.42Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-L188 VanDerWaalsContact O-N 3.15Å; Q186-L188 PolarHBondContact O-N 3.03Å; L188-G190 VanDerWaalsContact C-N 3.33Å; L188-G190 PolarHBondContact O-N 3.37Å; L188-C191 WeakPolarHBondContact O-CB 3.45Å; L188-C191 PolarHBondContact O-N 3.43Å; L188-M192 HydrophobicContact CD2-CE 3.96Å
189	L	98.7	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-33.8	-178.5	-66.3	-178.3	0	0	0	112.4	I130 A157 F173 V175 A185 C191 M192 G193 V196	I130-L189 HydrophobicContact CD1-CD2 4.38Å; I130-L189 HydrophobicContact CD1-CG 4.34Å; I130-L189 HydrophobicContact CG2-CD1 4.47Å; I130-L189 HydrophobicContact CG2-CD2 4.11Å; A157-L189 HydrophobicContact CB-CD1 3.78Å; F173-L189 HydrophobicContact CB-CD1 4.2Å; F173-L189 HydrophobicContact CD1-CB 4.37Å; F173-L189 HydrophobicContact CD1-CD1 4.03Å; F173-L189 HydrophobicContact CD1-CD2 3.66Å; F173-L189 HydrophobicContact CD1-CG 4.23Å; F173-L189 HydrophobicContact CD2-CB 4.18Å; F173-L189 HydrophobicContact CE1-CD2 3.54Å; F173-L189 HydrophobicContact CE1-CG 4.49Å; F173-L189 HydrophobicContact CE2-CB 4.42Å; F173-L189 WeakPolarHBondContact CE2-O 3.34Å; F173-L189 HydrophobicContact CG-CB 4.16Å; F173-L189 HydrophobicContact CG-CD1 4.17Å; F173-L189 HydrophobicContact CG-CD2 4.3Å; F173-L189 HydrophobicContact CG-CG 4.45Å; F173-L189 HydrophobicContact CZ-CD2 4.07Å; V175-L189 HydrophobicContact CG2-CD1 3.7Å; A185-L189 HydrophobicContact CB-CD1 4.36Å; A185-L189 WeakPolarHBondContact O-CB 3.41Å; A185-L189 VanDerWaalsContact O-CG 3.24Å; A185-L189 WeakPolarHBondContact O-CG 3.32Å; A185-L189 PolarHBondContact O-N 2.89Å; L189-C191 PolarHBondContact O-N 3.46Å; L189-C191 VanDerWaalsContact O-N 3.15Å; L189-M192 HydrophobicContact CD2-CE 3.68Å; L189-M192 PolarHBondContact O-N 3.05Å; L189-G193 PolarHBondContact O-N 3.16Å; L189-G193 VanDerWaalsContact O-N 3.07Å; L189-V196 HydrophobicContact CB-CG1 4.19Å; L189-V196 HydrophobicContact CB-CG2 3.91Å; L189-V196 HydrophobicContact CD1-CG1 4.05Å
190	G	98.4	Very high	98.3	Very high	39 Å²	39	46.6 Å²	46.6	40%	0.402	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17	175.8	0	0	0	0	0	114	Q186 L188 M192 G193	Q186-G190 PolarHBondContact O-N 2.95Å; L188-G190 VanDerWaalsContact C-N 3.33Å; L188-G190 PolarHBondContact O-N 3.37Å; G190-M192 PolarHBondContact O-N 3.49Å; G190-G193 VanDerWaalsContact O-O 3.13Å
191	C	98.4	Very high	98.3	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.074	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.6	172.2	-63.3	0	0	0	0	112.6	N57 L58 H61 E187 L188 L189	N57-C191 WeakPolarHBondContact CB-O 3.46Å; L58-C191 HydrophobicContact CD2-CB 3.91Å; H61-C191 HydrophobicContact CB-CB 4.18Å; H61-C191 PolarHBondContact CE1-O 3.44Å; H61-C191 VanDerWaalsContact CE1-O 3.26Å; E187-C191 PolarHBondContact O-SG 2.72Å; L188-C191 WeakPolarHBondContact O-CB 3.45Å; L188-C191 PolarHBondContact O-N 3.43Å; L189-C191 PolarHBondContact O-N 3.46Å; L189-C191 VanDerWaalsContact O-N 3.15Å
192	M	98.7	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-10.3	-174.8	-56.5	178.7	-70.7	0	0	112.9	F44 M54 N57 L58 I100 G169 F173 L188 L189 G190	F44-M192 HydrophobicContact CE2-SD 4.13Å; M54-M192 HydrophobicContact CB-CG 4.5Å; M54-M192 HydrophobicContact CB-SD 3.68Å; M54-M192 HydrophobicContact CE-CE 4.41Å; M54-M192 HydrophobicContact CE-SD 4.11Å; M54-M192 HydrophobicContact CG-SD 4.22Å; N57-M192 HydrophobicContact CB-CG 4.3Å; L58-M192 HydrophobicContact CD1-SD 3.9Å; L58-M192 HydrophobicContact CD2-CE 4.49Å; L58-M192 HydrophobicContact CD2-CG 4.17Å; L58-M192 HydrophobicContact CD2-SD 4.26Å; L58-M192 HydrophobicContact CG-CG 4.01Å; L58-M192 HydrophobicContact CG-SD 3.88Å; I100-M192 HydrophobicContact CD1-CE 3.6Å; I100-M192 HydrophobicContact CD1-SD 4.2Å; G169-M192 CarbonylContact C-O 3.57Å; G169-M192 WeakPolarHBondContact CA-O 3.35Å; F173-M192 HydrophobicContact CE1-CE 4.25Å; F173-M192 HydrophobicContact CE2-CB 3.96Å; F173-M192 HydrophobicContact CZ-CB 3.85Å; F173-M192 HydrophobicContact CZ-CE 3.81Å; L188-M192 HydrophobicContact CD2-CE 3.96Å; L189-M192 HydrophobicContact CD2-CE 3.68Å; L189-M192 PolarHBondContact O-N 3.05Å; G190-M192 PolarHBondContact O-N 3.49Å
193	G	98.4	Very high	98.3	Very high	5 Å²	5	39.6 Å²	39.6	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.9	-175.5	0	0	0	0	0	113	G169 L171 L189 G190	G169-G193 CarbonylContact O-C 3.16Å; G169-G193 VanDerWaalsContact O-CA 3.24Å; G169-G193 WeakPolarHBondContact O-CA 3.5Å; G169-G193 PolarHBondContact O-N 2.89Å; L171-G193 CarbonylContact O-C 3.57Å; L171-G193 WeakPolarHBondContact O-CA 3.3Å; L189-G193 PolarHBondContact O-N 3.16Å; L189-G193 VanDerWaalsContact O-N 3.07Å; G190-G193 VanDerWaalsContact O-O 3.13Å
194	S	97.9	Very high	98.4	Very high	65 Å²	65	38.3 Å²	38.3	46%	0.455	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-18.1	178.4	54.1	0	0	0	0	112.7	G169 N170 L171	G169-S194 PolarHBondContact O-N 3.29Å; N170-S194 WeakPolarHBondContact CA-OG 3.36Å; N170-S194 PolarHBondContact O-OG 3.3Å; N170-S194 WeakPolarHBondContact OD1-CB 3.41Å; L171-S194 PolarHBondContact O-N 2.89Å
195	N	98.4	Very high	98.4	Very high	87 Å²	87	36.6 Å²	36.6	47%	0.465	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.8	176.3	-65	-76.4	0	0	0	109.6	L171 T172 F173	L171-N195 PolarHBondContact O-N 2.94Å; T172-N195 CarbonylContact C-O 3.53Å; T172-N195 VanDerWaalsContact CA-O 3.32Å; T172-N195 WeakPolarHBondContact CA-O 3.38Å; T172-N195 HydrophobicContact CG2-CB 4.01Å; F173-N195 PolarHBondContact N-O 3.04Å
196	V	98.7	Very high	98.5	Very high	22 Å²	22	36.6 Å²	36.6	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	112.8	172.8	-173.9	0	0	0	0	106.4	F173 V175 F182 Q186 L189	F173-V196 HydrophobicContact CB-CG1 4.19Å; F173-V196 HydrophobicContact CB-CG2 4.37Å; F173-V196 HydrophobicContact CD2-CG2 4.3Å; V175-V196 HydrophobicContact CG2-CG1 3.7Å; F182-V196 HydrophobicContact CE2-CG1 3.81Å; F182-V196 HydrophobicContact CZ-CG1 3.9Å; Q186-V196 HydrophobicContact CB-CG1 4.33Å; Q186-V196 HydrophobicContact CG-CB 4.12Å; Q186-V196 HydrophobicContact CG-CG1 4.24Å; Q186-V196 HydrophobicContact CG-CG2 4.45Å; L189-V196 HydrophobicContact CB-CG1 4.19Å; L189-V196 HydrophobicContact CB-CG2 3.91Å; L189-V196 HydrophobicContact CD1-CG1 4.05Å
197	V	98.7	Very high	98.5	Very high	73 Å²	73	34.3 Å²	34.3	44%	0.442	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.8	-170.2	-176	0	0	0	0	108.9	F173 V175	F173-V197 PolarHBondContact O-N 3.09Å; V175-V197 PolarHBondContact N-O 3.35Å
198	Y	98.8	Very high	98.5	Very high	66 Å²	66	31 Å²	31	26%	0.259	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127	171.1	-178.1	-120.1	0	0	0	110.1	G177 E179 F182 G200	G177-Y198 PolarHBondContact O-OH 3.26Å; E179-Y198 HydrophobicContact CB-CE1 3.89Å; E179-Y198 HydrophobicContact CB-CE2 4.35Å; E179-Y198 WeakPolarHBondContact CB-OH 3.37Å; E179-Y198 HydrophobicContact CG-CD1 4.13Å; E179-Y198 HydrophobicContact CG-CE1 3.6Å; E179-Y198 PolarHBondContact N-OH 2.98Å; F182-Y198 HydrophobicContact CB-CD2 4.26Å; F182-Y198 AromaticContact CD2-CD2 3.83Å; F182-Y198 HydrophobicContact CD2-CD2 3.83Å; F182-Y198 HydrophobicContact CD2-CG 4.19Å; F182-Y198 HydrophobicContact CE2-CD2 4.46Å; F182-Y198 HydrophobicContact CG-CD2 4.09Å; F182-Y198 HydrophobicContact CG-CG 4.28Å; Y198-G200 WeakPolarHBondContact CE2-O 3.35Å; Y198-G200 PolarHBondContact OH-O 3.42Å
199	C	98.6	Very high	98.6	Very high	42 Å²	42	31.5 Å²	31.5	28%	0.284	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-9.4	-175.9	-61.9	0	0	0	0	113.2	V175 T204	V175-C199 PolarHBondContact O-N 2.91Å; C199-T204 WeakPolarHBondContact CB-OG1 3.44Å; C199-T204 WeakPolarHBondContact O-CB 3.42Å; C199-T204 PolarHBondContact O-OG1 3.26Å
200	G	98.7	Very high	98.6	Very high	19 Å²	19	31.8 Å²	31.8	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.5	-150.6	-176.5	0	0	0	0	0	112.8	G176 G177 Y198 T204	G176-G200 CarbonylContact C-O 3.53Å; G176-G200 VanDerWaalsContact CA-O 3.27Å; G176-G200 WeakPolarHBondContact CA-O 3.42Å; G177-G200 PolarHBondContact N-O 3Å; G177-G200 VanDerWaalsContact O-O 3.13Å; Y198-G200 WeakPolarHBondContact CE2-O 3.35Å; Y198-G200 PolarHBondContact OH-O 3.42Å; G200-T204 WeakPolarHBondContact CA-OG1 3.26Å; G200-T204 PolarHBondContact N-OG1 2.75Å; G200-T204 PolarHBondContact O-OG1 3.43Å
201	A	98.7	Very high	98.6	Very high	67 Å²	67	33.5 Å²	33.5	55%	0.554	22%	0.22	S	C	*	.	S	Bend	trans	-60.7	166.3	-178.9	0	0	0	0	0	113.3	G203 T204	A201-G203 PolarHBondContact O-N 3.38Å; A201-T204 VanDerWaalsContact O-CB 3.32Å; A201-T204 WeakPolarHBondContact O-CB 3.42Å; A201-T204 VanDerWaalsContact O-CG2 3.25Å; A201-T204 WeakPolarHBondContact O-CG2 3.44Å; A201-T204 PolarHBondContact O-N 2.96Å; A201-T204 VanDerWaalsContact O-N 3.07Å; A201-T204 PolarHBondContact O-OG1 3.39Å
202	V	98.8	Very high	98.6	Very high	26 Å²	26	36.3 Å²	36.3	16%	0.158	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	134	177.3	178.2	0	0	0	0	112.3	S140 K141 A144 F154 D156	S140-V202 WeakPolarHBondContact O-CG1 3.25Å; K141-V202 WeakPolarHBondContact CE-O 3.1Å; K141-V202 HydrophobicContact CG-CG1 4.27Å; K141-V202 WeakPolarHBondContact CG-O 3.28Å; A144-V202 HydrophobicContact CB-CB 4.25Å; A144-V202 HydrophobicContact CB-CG1 3.78Å; A144-V202 HydrophobicContact CB-CG2 3.92Å; F154-V202 HydrophobicContact CD1-CG1 4Å; F154-V202 HydrophobicContact CE1-CG1 4.09Å; D156-V202 WeakPolarHBondContact OD1-CA 3.38Å
203	G	98.5	Very high	98.5	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.021	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	-10.4	-177.3	0	0	0	0	0	113.9	D156 A201 A207	D156-G203 VanDerWaalsContact CG-N 3.32Å; D156-G203 PolarHBondContact OD1-N 3.31Å; D156-G203 WeakPolarHBondContact OD2-CA 3.38Å; D156-G203 PolarHBondContact OD2-N 2.9Å; A201-G203 PolarHBondContact O-N 3.38Å; G203-A207 WeakPolarHBondContact O-CB 3.49Å; G203-A207 PolarHBondContact O-N 2.88Å
204	T	98.7	Very high	98.5	Very high	45 Å²	45	38.1 Å²	38.1	28%	0.276	24%	0.242	S	C	.	.	H	α-helix	trans	-75	-28.1	178.4	56.8	0	0	0	0	113	C199 G200 A201 A207 A208	C199-T204 WeakPolarHBondContact CB-OG1 3.44Å; C199-T204 WeakPolarHBondContact O-CB 3.42Å; C199-T204 PolarHBondContact O-OG1 3.26Å; G200-T204 WeakPolarHBondContact CA-OG1 3.26Å; G200-T204 PolarHBondContact N-OG1 2.75Å; G200-T204 PolarHBondContact O-OG1 3.43Å; A201-T204 VanDerWaalsContact O-CB 3.32Å; A201-T204 WeakPolarHBondContact O-CB 3.42Å; A201-T204 VanDerWaalsContact O-CG2 3.25Å; A201-T204 WeakPolarHBondContact O-CG2 3.44Å; A201-T204 PolarHBondContact O-N 2.96Å; A201-T204 VanDerWaalsContact O-N 3.07Å; A201-T204 PolarHBondContact O-OG1 3.39Å; T204-A207 PolarHBondContact O-N 3.07Å; T204-A208 WeakPolarHBondContact O-CB 3.34Å; T204-A208 PolarHBondContact O-N 2.88Å
205	G	98.8	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-46.6	170.3	0	0	0	0	0	111.2	D156 P158 M174 A208 K209	D156-G205 WeakPolarHBondContact OD2-CA 3.37Å; D156-G205 PolarHBondContact OD2-N 3.15Å; P158-G205 VanDerWaalsContact CG-O 3.3Å; P158-G205 WeakPolarHBondContact CG-O 3.44Å; M174-G205 VanDerWaalsContact O-CA 3.27Å; M174-G205 WeakPolarHBondContact O-CA 3.36Å; G205-A208 PolarHBondContact O-N 3.04Å; G205-K209 PolarHBondContact O-N 2.87Å
206	Q	98.7	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-46.5	172.4	-59.8	-57.9	-16.7	0	0	112	S133 I135 P137 S140 D156 A208 K209 I210	S133-Q206 PolarHBondContact O-NE2 3.05Å; S133-Q206 PolarHBondContact O-OE1 3.25Å; I135-Q206 HydrophobicContact CG1-CG 4.3Å; I135-Q206 PolarHBondContact O-OE1 3.44Å; P137-Q206 HydrophobicContact CB-CB 4.23Å; P137-Q206 HydrophobicContact CG-CB 3.85Å; S140-Q206 WeakPolarHBondContact OG-CG 3.28Å; D156-Q206 HydrophobicContact CB-CG 3.97Å; D156-Q206 PolarHBondContact OD2-N 3.45Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; Q206-A208 PolarHBondContact O-N 3.31Å; Q206-K209 PolarHBondContact O-N 3.29Å; Q206-I210 HydrophobicContact CB-CD1 4.47Å; Q206-I210 WeakPolarHBondContact O-CB 3.37Å; Q206-I210 WeakPolarHBondContact O-CD1 3.22Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.37Å; Q206-I210 PolarHBondContact O-N 3.12Å
207	A	98.6	Very high	98.5	Very high	42 Å²	42	36.4 Å²	36.4	35%	0.347	23%	0.226	S	C	.	.	H	α-helix	trans	-58.2	-46.1	178.1	0	0	0	0	0	111.9	G203 T204 K209 I210 C211	G203-A207 WeakPolarHBondContact O-CB 3.49Å; G203-A207 PolarHBondContact O-N 2.88Å; T204-A207 PolarHBondContact O-N 3.07Å; A207-K209 PolarHBondContact O-N 3.32Å; A207-I210 PolarHBondContact O-N 2.96Å; A207-C211 WeakPolarHBondContact O-CB 3.33Å; A207-C211 PolarHBondContact O-N 3.47Å; A207-C211 PolarHBondContact O-SG 3Å
208	A	98.6	Very high	98.6	Very high	37 Å²	37	35.1 Å²	35.1	31%	0.306	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-46.7	176.4	0	0	0	0	0	111.7	M174 T204 G205 Q206 C211 N212	M174-A208 HydrophobicContact CB-CB 4.31Å; M174-A208 HydrophobicContact CG-CB 4.22Å; M174-A208 HydrophobicContact SD-CB 3.85Å; T204-A208 WeakPolarHBondContact O-CB 3.34Å; T204-A208 PolarHBondContact O-N 2.88Å; G205-A208 PolarHBondContact O-N 3.04Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; Q206-A208 PolarHBondContact O-N 3.31Å; A208-C211 PolarHBondContact O-N 3.39Å; A208-N212 WeakPolarHBondContact O-CB 3.29Å; A208-N212 PolarHBondContact O-N 3.24Å
209	K	98.4	Very high	98.6	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.2	178.5	174	61.3	-172.4	-72.6	0	112.4	T134 P158 V159 M174 G205 Q206 A207 N212 N213	T134-K209 HydrophobicContact CG2-CG 3.8Å; T134-K209 PolarHBondContact OG1-NZ 3.43Å; P158-K209 HydrophobicContact CB-CB 3.94Å; P158-K209 HydrophobicContact CB-CG 3.97Å; P158-K209 HydrophobicContact CG-CB 3.81Å; P158-K209 HydrophobicContact CG-CG 4.41Å; V159-K209 WeakPolarHBondContact O-CE 3.47Å; V159-K209 PolarHBondContact O-NZ 2.89Å; M174-K209 HydrophobicContact CE-CB 3.69Å; M174-K209 HydrophobicContact CE-CD 3.62Å; M174-K209 HydrophobicContact CE-CG 4.19Å; M174-K209 HydrophobicContact SD-CB 4.1Å; G205-K209 PolarHBondContact O-N 2.87Å; Q206-K209 PolarHBondContact O-N 3.29Å; A207-K209 PolarHBondContact O-N 3.32Å; K209-N212 PolarHBondContact O-N 3.42Å; K209-N213 VanDerWaalsContact CE-CG 3.41Å; K209-N213 WeakPolarHBondContact CE-ND2 3.15Å; K209-N213 WeakPolarHBondContact CE-OD1 3.38Å; K209-N213 PolarHBondContact O-N 2.75Å
210	I	98.5	Very high	98.6	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-46.1	-178.2	-71.4	165.3	0	0	0	110.2	P137 Q206 A207 N212 N213 M214 L288 A289	P137-I210 HydrophobicContact CG-CD1 3.86Å; Q206-I210 HydrophobicContact CB-CD1 4.47Å; Q206-I210 WeakPolarHBondContact O-CB 3.37Å; Q206-I210 WeakPolarHBondContact O-CD1 3.22Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.37Å; Q206-I210 PolarHBondContact O-N 3.12Å; A207-I210 PolarHBondContact O-N 2.96Å; I210-N212 PolarHBondContact O-N 3.1Å; I210-N213 PolarHBondContact O-N 3.23Å; I210-M214 WeakPolarHBondContact O-CB 3.44Å; I210-M214 PolarHBondContact O-N 3.36Å; I210-L288 HydrophobicContact CD1-CB 3.84Å; I210-L288 HydrophobicContact CD1-CD1 4.35Å; I210-L288 HydrophobicContact CG1-CB 4.11Å; I210-L288 HydrophobicContact CG1-CD1 4.47Å; I210-A289 VanDerWaalsContact CG2-CA 3.4Å; I210-A289 HydrophobicContact CG2-CB 3.57Å
211	C	98.6	Very high	98.6	Very high	75 Å²	75	31.1 Å²	31.1	51%	0.507	19%	0.194	S	C	.	.	H	α-helix	trans	-59.9	-44.3	175.2	-71.8	0	0	0	0	112	A207 A208 M214 L215	A207-C211 WeakPolarHBondContact O-CB 3.33Å; A207-C211 PolarHBondContact O-N 3.47Å; A207-C211 PolarHBondContact O-SG 3Å; A208-C211 PolarHBondContact O-N 3.39Å; C211-M214 PolarHBondContact O-N 3.34Å; C211-L215 PolarHBondContact O-N 3.43Å
212	N	98	Very high	98.6	Very high	70 Å²	70	29.4 Å²	29.4	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-59	-48.3	175.8	175.5	84	0	0	0	111.9	A208 K209 I210 L215 L216	A208-N212 WeakPolarHBondContact O-CB 3.29Å; A208-N212 PolarHBondContact O-N 3.24Å; K209-N212 PolarHBondContact O-N 3.42Å; I210-N212 PolarHBondContact O-N 3.1Å; N212-L215 PolarHBondContact O-N 2.78Å; N212-L216 WeakPolarHBondContact O-CB 3.31Å; N212-L216 PolarHBondContact O-N 3.18Å
213	N	97.8	Very high	98.6	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-70.4	-32.2	-177.9	-82.2	19.9	0	0	0	112.7	K209 I210 L216 A217 D285	K209-N213 VanDerWaalsContact CE-CG 3.41Å; K209-N213 WeakPolarHBondContact CE-ND2 3.15Å; K209-N213 WeakPolarHBondContact CE-OD1 3.38Å; K209-N213 PolarHBondContact O-N 2.75Å; I210-N213 PolarHBondContact O-N 3.23Å; N213-L216 PolarHBondContact O-N 2.82Å; N213-A217 WeakPolarHBondContact O-CB 3.31Å; N213-A217 PolarHBondContact O-N 3.04Å; N213-D285 HydrophobicContact CB-CB 4.34Å; N213-D285 PolarHBondContact ND2-OD2 3.08Å
214	M	98.7	Very high	98.6	Very high	38 Å²	38	28.5 Å²	28.5	19%	0.187	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-47.7	170.6	-175.4	178.5	65.2	0	0	111.4	I210 C211 A217 I218 L286 A289 I300	I210-M214 WeakPolarHBondContact O-CB 3.44Å; I210-M214 PolarHBondContact O-N 3.36Å; C211-M214 PolarHBondContact O-N 3.34Å; M214-A217 PolarHBondContact O-N 3.34Å; M214-I218 HydrophobicContact CG-CD1 4.1Å; M214-I218 VanDerWaalsContact O-CG1 3.31Å; M214-I218 WeakPolarHBondContact O-CG1 3.44Å; M214-I218 PolarHBondContact O-N 3.42Å; M214-I218 VanDerWaalsContact O-N 3.07Å; M214-L286 HydrophobicContact CB-CD2 4.27Å; M214-L286 HydrophobicContact CG-CD2 4.29Å; M214-A289 HydrophobicContact CB-CB 4.15Å; M214-A289 HydrophobicContact CG-CB 4.36Å; M214-A289 HydrophobicContact SD-CB 4.08Å; M214-I300 HydrophobicContact CE-CG2 4.15Å; M214-I300 HydrophobicContact SD-CB 4.22Å; M214-I300 HydrophobicContact SD-CD1 4.06Å; M214-I300 HydrophobicContact SD-CG2 4.04Å
215	L	98.7	Very high	98.6	Very high	107 Å²	107	30.9 Å²	30.9	56%	0.56	19%	0.185	S	C	*	.	H	α-helix	trans	-64.8	-39.4	177.4	179.9	60.3	0	0	0	112.3	C211 N212 I218 S219	C211-L215 PolarHBondContact O-N 3.43Å; N212-L215 PolarHBondContact O-N 2.78Å; L215-I218 PolarHBondContact O-N 3.45Å; L215-S219 WeakPolarHBondContact O-CB 3.39Å; L215-S219 PolarHBondContact O-N 3.33Å; L215-S219 PolarHBondContact O-OG 2.91Å
216	L	98	Very high	98.6	Very high	31 Å²	31	32.9 Å²	32.9	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-48.1	173.8	172	61.1	0	0	0	111.1	N212 N213 S219 M220 W252 M282 F323	N212-L216 WeakPolarHBondContact O-CB 3.31Å; N212-L216 PolarHBondContact O-N 3.18Å; N213-L216 PolarHBondContact O-N 2.82Å; L216-S219 PolarHBondContact O-N 2.93Å; L216-M220 VanDerWaalsContact O-CB 3.28Å; L216-M220 WeakPolarHBondContact O-CB 3.34Å; L216-M220 PolarHBondContact O-N 2.96Å; L216-W252 HydrophobicContact CD1-CE3 3.66Å; L216-W252 HydrophobicContact CD1-CZ3 3.87Å; L216-M282 HydrophobicContact CD2-CE 3.82Å; L216-M282 HydrophobicContact CG-CE 4.04Å; L216-F323 HydrophobicContact CD1-CE2 3.98Å; L216-F323 HydrophobicContact CD1-CZ 4Å; L216-F323 HydrophobicContact CD2-CE2 4.1Å; L216-F323 HydrophobicContact CD2-CZ 3.99Å; L216-F323 HydrophobicContact CG-CE2 3.85Å; L216-F323 HydrophobicContact CG-CZ 4.11Å
217	A	98.7	Very high	98.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-47.8	179	0	0	0	0	0	112.2	N213 M214 S219 M220 I221 M282 L286 A306 Y310	N213-A217 WeakPolarHBondContact O-CB 3.31Å; N213-A217 PolarHBondContact O-N 3.04Å; M214-A217 PolarHBondContact O-N 3.34Å; A217-S219 VanDerWaalsContact C-N 3.31Å; A217-S219 PolarHBondContact O-N 2.96Å; A217-M220 PolarHBondContact O-N 3.28Å; A217-I221 VanDerWaalsContact O-CG1 3.32Å; A217-I221 WeakPolarHBondContact O-CG1 3.05Å; A217-I221 PolarHBondContact O-N 2.95Å; A217-M282 HydrophobicContact CB-CE 4.46Å; A217-M282 HydrophobicContact CB-SD 3.89Å; A217-L286 HydrophobicContact CB-CD1 3.7Å; A217-L286 HydrophobicContact CB-CD2 3.72Å; A217-L286 HydrophobicContact CB-CG 4.15Å; A217-A306 HydrophobicContact CB-CB 4.18Å; A217-Y310 HydrophobicContact CB-CD2 4.34Å; A217-Y310 HydrophobicContact CB-CE2 3.88Å
218	I	98.9	Very high	98.6	Very high	45 Å²	45	32.2 Å²	32.2	23%	0.231	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-47.2	176.8	-66.1	163.4	0	0	0	110	M214 L215 G222 L302 A306	M214-I218 HydrophobicContact CG-CD1 4.1Å; M214-I218 VanDerWaalsContact O-CG1 3.31Å; M214-I218 WeakPolarHBondContact O-CG1 3.44Å; M214-I218 PolarHBondContact O-N 3.42Å; M214-I218 VanDerWaalsContact O-N 3.07Å; L215-I218 PolarHBondContact O-N 3.45Å; I218-G222 PolarHBondContact O-N 3.15Å; I218-L302 HydrophobicContact CD1-CB 4.04Å; I218-L302 HydrophobicContact CG1-CB 4.12Å; I218-L302 HydrophobicContact CG2-CB 4.16Å; I218-L302 HydrophobicContact CG2-CD1 4.17Å; I218-A306 HydrophobicContact CG1-CB 4.16Å
219	S	98.7	Very high	98.6	Very high	33 Å²	33	35.5 Å²	35.5	23%	0.231	21%	0.205	C	C	.	.	H	α-helix	trans	-71.2	-34.1	-177.2	-54.4	0	0	0	0	112.7	L215 L216 A217 T223	L215-S219 WeakPolarHBondContact O-CB 3.39Å; L215-S219 PolarHBondContact O-N 3.33Å; L215-S219 PolarHBondContact O-OG 2.91Å; L216-S219 PolarHBondContact O-N 2.93Å; A217-S219 VanDerWaalsContact C-N 3.31Å; A217-S219 PolarHBondContact O-N 2.96Å; S219-T223 WeakPolarHBondContact O-CB 3.38Å; S219-T223 PolarHBondContact O-N 3.26Å; S219-T223 PolarHBondContact O-OG1 3.06Å
220	M	98.8	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-44.3	175.6	-178	57.8	73.8	0	0	111.5	L216 A217 T223 A224 S253 Y257 P259 F323 V326	L216-M220 VanDerWaalsContact O-CB 3.28Å; L216-M220 WeakPolarHBondContact O-CB 3.34Å; L216-M220 PolarHBondContact O-N 2.96Å; A217-M220 PolarHBondContact O-N 3.28Å; M220-T223 PolarHBondContact O-N 2.96Å; M220-A224 WeakPolarHBondContact O-CB 3.31Å; M220-A224 PolarHBondContact O-N 3.41Å; M220-S253 PolarHBondContact N-OG 2.89Å; M220-Y257 HydrophobicContact CE-CD1 4.14Å; M220-P259 HydrophobicContact SD-CB 3.8Å; M220-P259 HydrophobicContact SD-CG 3.93Å; M220-F323 HydrophobicContact CB-CD2 4.26Å; M220-F323 HydrophobicContact CB-CE2 3.78Å; M220-F323 HydrophobicContact CE-CE1 4.48Å; M220-F323 HydrophobicContact CE-CE2 3.61Å; M220-F323 HydrophobicContact CE-CZ 3.57Å; M220-F323 HydrophobicContact CG-CD2 3.9Å; M220-F323 HydrophobicContact CG-CE2 3.62Å; M220-F323 HydrophobicContact SD-CE2 4.45Å; M220-V326 HydrophobicContact CG-CG1 4.03Å
221	I	98.9	Very high	98.5	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-48.5	173.1	-67.1	166.5	0	0	0	109.7	A217 T223 A224 E225 A306 I309 Y310 V326	A217-I221 VanDerWaalsContact O-CG1 3.32Å; A217-I221 WeakPolarHBondContact O-CG1 3.05Å; A217-I221 PolarHBondContact O-N 2.95Å; I221-T223 VanDerWaalsContact C-N 3.3Å; I221-T223 PolarHBondContact O-N 3.18Å; I221-A224 WeakPolarHBondContact O-CB 3.46Å; I221-A224 PolarHBondContact O-N 3.33Å; I221-A224 VanDerWaalsContact O-N 3.08Å; I221-E225 HydrophobicContact CG2-CG 4.3Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.24Å; I221-E225 WeakPolarHBondContact O-CG 3.06Å; I221-E225 PolarHBondContact O-N 3.36Å; I221-A306 HydrophobicContact CD1-CB 3.59Å; I221-I309 HydrophobicContact CD1-CB 4.13Å; I221-I309 HydrophobicContact CD1-CD1 3.99Å; I221-I309 HydrophobicContact CD1-CG2 4.08Å; I221-I309 HydrophobicContact CG2-CD1 4.05Å; I221-Y310 HydrophobicContact CD1-CD2 4.12Å; I221-Y310 HydrophobicContact CD1-CE2 3.74Å; I221-Y310 HydrophobicContact CG1-CE2 4.01Å; I221-V326 HydrophobicContact CG1-CG1 4.28Å; I221-V326 HydrophobicContact CG1-CG2 3.96Å
222	G	98.8	Very high	98.4	Very high	31 Å²	31	40.9 Å²	40.9	32%	0.32	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-38	176.9	0	0	0	0	0	113.2	I218 A226	I218-G222 PolarHBondContact O-N 3.15Å; G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.37Å; G222-A226 PolarHBondContact O-N 3.01Å
223	T	98.8	Very high	98.4	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-46.8	173.1	-59.7	0	0	0	0	110.7	S219 M220 I221 A226 M227 C251 P259	S219-T223 WeakPolarHBondContact O-CB 3.38Å; S219-T223 PolarHBondContact O-N 3.26Å; S219-T223 PolarHBondContact O-OG1 3.06Å; M220-T223 PolarHBondContact O-N 2.96Å; I221-T223 VanDerWaalsContact C-N 3.3Å; I221-T223 PolarHBondContact O-N 3.18Å; T223-A226 PolarHBondContact O-N 2.73Å; T223-M227 HydrophobicContact CG2-CG 4.21Å; T223-M227 VanDerWaalsContact O-CB 3.29Å; T223-M227 WeakPolarHBondContact O-CB 3.4Å; T223-M227 WeakPolarHBondContact O-CG 3.42Å; T223-M227 PolarHBondContact O-N 3.07Å; T223-C251 PolarHBondContact OG1-SG 3.28Å; T223-P259 HydrophobicContact CG2-CG 3.95Å
224	A	98.8	Very high	98.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-43.4	178.7	0	0	0	0	0	112.2	M220 I221 N228 P259 V326 F327 L330	M220-A224 WeakPolarHBondContact O-CB 3.31Å; M220-A224 PolarHBondContact O-N 3.41Å; I221-A224 WeakPolarHBondContact O-CB 3.46Å; I221-A224 PolarHBondContact O-N 3.33Å; I221-A224 VanDerWaalsContact O-N 3.08Å; A224-N228 WeakPolarHBondContact O-CB 3.42Å; A224-N228 PolarHBondContact O-N 3.02Å; A224-P259 HydrophobicContact CB-CG 4.28Å; A224-V326 HydrophobicContact CB-CG1 3.92Å; A224-F327 HydrophobicContact CB-CB 3.79Å; A224-F327 HydrophobicContact CB-CD2 4.28Å; A224-L330 HydrophobicContact CB-CD1 3.92Å
225	E	98.7	Very high	98.4	Very high	95 Å²	95	48.3 Å²	48.3	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-49.9	175.5	-72.8	178.5	-173.8	0	0	111.8	I221 M227 N228 L229 L330	I221-E225 HydrophobicContact CG2-CG 4.3Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.24Å; I221-E225 WeakPolarHBondContact O-CG 3.06Å; I221-E225 PolarHBondContact O-N 3.36Å; E225-M227 VanDerWaalsContact C-N 3.33Å; E225-M227 PolarHBondContact O-N 3.22Å; E225-N228 PolarHBondContact O-N 3.24Å; E225-L229 WeakPolarHBondContact O-CB 3.35Å; E225-L229 PolarHBondContact O-N 3.23Å; E225-L330 HydrophobicContact CG-CD1 3.73Å
226	A	98.7	Very high	98.4	Very high	43 Å²	43	47.2 Å²	47.2	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-43.3	179.2	0	0	0	0	0	111.8	G222 T223 G230	G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.37Å; G222-A226 PolarHBondContact O-N 3.01Å; T223-A226 PolarHBondContact O-N 2.73Å; A226-G230 PolarHBondContact O-N 3.04Å
227	M	98.7	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-45.9	176.7	-68.5	-68.4	-69.5	0	0	111.7	T223 E225 G230 I231 P237 L240 A241 L244 V260 V263 F327	T223-M227 HydrophobicContact CG2-CG 4.21Å; T223-M227 VanDerWaalsContact O-CB 3.29Å; T223-M227 WeakPolarHBondContact O-CB 3.4Å; T223-M227 WeakPolarHBondContact O-CG 3.42Å; T223-M227 PolarHBondContact O-N 3.07Å; E225-M227 VanDerWaalsContact C-N 3.33Å; E225-M227 PolarHBondContact O-N 3.22Å; M227-G230 PolarHBondContact O-N 2.95Å; M227-I231 WeakPolarHBondContact O-CD1 3.5Å; M227-I231 WeakPolarHBondContact O-CG1 3.48Å; M227-I231 PolarHBondContact O-N 3.4Å; M227-P237 HydrophobicContact CE-CB 3.96Å; M227-P237 WeakPolarHBondContact CE-O 3.47Å; M227-L240 HydrophobicContact SD-CB 4.33Å; M227-L240 HydrophobicContact SD-CD2 3.85Å; M227-L240 HydrophobicContact SD-CG 3.84Å; M227-A241 HydrophobicContact CE-CB 4.11Å; M227-A241 HydrophobicContact SD-CB 4.4Å; M227-L244 HydrophobicContact CG-CD1 4.4Å; M227-L244 HydrophobicContact SD-CD1 3.78Å; M227-V260 HydrophobicContact CB-CG2 3.63Å; M227-V260 HydrophobicContact CE-CB 4.04Å; M227-V260 HydrophobicContact CE-CG1 4.5Å; M227-V260 HydrophobicContact CE-CG2 3.51Å; M227-V260 HydrophobicContact CG-CG2 3.89Å; M227-V263 HydrophobicContact CE-CG2 4.15Å; M227-F327 HydrophobicContact CB-CE2 4.2Å
228	N	98.3	Very high	98.4	Very high	28 Å²	28	53.6 Å²	53.6	15%	0.15	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-46.8	179.2	-175.2	42	0	0	0	111.5	A224 E225 G230 I231 R232 F327 L330	A224-N228 WeakPolarHBondContact O-CB 3.42Å; A224-N228 PolarHBondContact O-N 3.02Å; E225-N228 PolarHBondContact O-N 3.24Å; N228-G230 PolarHBondContact O-N 3.48Å; N228-I231 PolarHBondContact O-N 3.22Å; N228-R232 WeakPolarHBondContact O-CG 3.47Å; N228-R232 PolarHBondContact O-N 3.3Å; N228-F327 HydrophobicContact CB-CD2 4.35Å; N228-F327 HydrophobicContact CB-CE2 4Å; N228-L330 PolarHBondContact ND2-O 3.09Å
229	L	98.2	Very high	98.4	Very high	105 Å²	105	55.4 Å²	55.4	55%	0.55	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-48.3	175.5	175.8	60.4	0	0	0	111.2	E225 I231 R232 L233	E225-L229 WeakPolarHBondContact O-CB 3.35Å; E225-L229 PolarHBondContact O-N 3.23Å; L229-I231 PolarHBondContact O-N 2.91Å; L229-R232 PolarHBondContact O-N 3.34Å; L229-L233 HydrophobicContact CD1-CD1 3.97Å; L229-L233 HydrophobicContact CD1-CG 4.19Å; L229-L233 HydrophobicContact CG-CD1 3.92Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 2.99Å
230	G	98.3	Very high	98.4	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-40.3	179.6	0	0	0	0	0	113.5	A226 M227 N228 L233 G234 L235	A226-G230 PolarHBondContact O-N 3.04Å; M227-G230 PolarHBondContact O-N 2.95Å; N228-G230 PolarHBondContact O-N 3.48Å; G230-L233 CarbonylContact O-C 3.56Å; G230-L233 PolarHBondContact O-N 3.08Å; G230-G234 PolarHBondContact O-N 3.33Å; G230-L235 VanDerWaalsContact O-CB 3.3Å; G230-L235 WeakPolarHBondContact O-CB 3.47Å; G230-L235 PolarHBondContact O-N 2.91Å
231	I	97.7	Very high	98.4	Very high	49 Å²	49	54.8 Å²	54.8	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-44.4	174.4	-68.5	162.4	0	0	0	110.7	M227 N228 L229 L233 G234 P237 V260 F327	M227-I231 WeakPolarHBondContact O-CD1 3.5Å; M227-I231 WeakPolarHBondContact O-CG1 3.48Å; M227-I231 PolarHBondContact O-N 3.4Å; N228-I231 PolarHBondContact O-N 3.22Å; L229-I231 PolarHBondContact O-N 2.91Å; I231-L233 PolarHBondContact O-N 3.16Å; I231-G234 WeakPolarHBondContact O-CA 3.35Å; I231-G234 PolarHBondContact O-N 2.92Å; I231-P237 HydrophobicContact CD1-CB 4.06Å; I231-P237 HydrophobicContact CG1-CB 4.09Å; I231-V260 HydrophobicContact CD1-CG1 4.21Å; I231-F327 HydrophobicContact CD1-CE2 4.08Å; I231-F327 HydrophobicContact CD1-CZ 3.72Å
232	R	96.6	Very high	98.3	Very high	154 Å²	154	61.2 Å²	61.2	58%	0.581	33%	0.33	S	S	*	.	H	α-helix	trans	-66.9	-26.2	177.3	-68.1	179	76.3	94.5	-10.7	113.1	N228 L229 G234 E332	N228-R232 WeakPolarHBondContact O-CG 3.47Å; N228-R232 PolarHBondContact O-N 3.3Å; L229-R232 PolarHBondContact O-N 3.34Å; R232-G234 PolarHBondContact O-N 3.28Å; R232-E332 IonicContact CZ-OE2 3.26Å; R232-E332 VanDerWaalsContact CZ-OE2 3.26Å; R232-E332 IonicContact NH1-OE2 2.74Å; R232-E332 PolarHBondContact NH1-OE2 2.97Å; R232-E332 IonicContact NH2-OE1 3.98Å; R232-E332 IonicContact NH2-OE2 2.92Å; R232-E332 PolarHBondContact NH2-OE2 3.02Å
233	L	98	Very high	98.3	Very high	129 Å²	129	63.4 Å²	63.4	68%	0.675	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	1.9	170.3	-69.4	170.7	0	0	0	113.2	L229 G230 I231	L229-L233 HydrophobicContact CD1-CD1 3.97Å; L229-L233 HydrophobicContact CD1-CG 4.19Å; L229-L233 HydrophobicContact CG-CD1 3.92Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 2.99Å; G230-L233 CarbonylContact O-C 3.56Å; G230-L233 PolarHBondContact O-N 3.08Å; I231-L233 PolarHBondContact O-N 3.16Å
234	G	97.6	Very high	98.3	Very high	66 Å²	66	64.6 Å²	64.6	68%	0.68	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	13.6	174.7	0	0	0	0	0	115.2	G230 I231 R232	G230-G234 PolarHBondContact O-N 3.33Å; I231-G234 WeakPolarHBondContact O-CA 3.35Å; I231-G234 PolarHBondContact O-N 2.92Å; R232-G234 PolarHBondContact O-N 3.28Å
235	L	98.3	Very high	98.3	Very high	75 Å²	75	66.5 Å²	66.5	39%	0.393	35%	0.349	S	S	.	.			trans	-78.8	139.4	174.8	-61.4	176.5	0	0	0	111.4	G230 L240	G230-L235 VanDerWaalsContact O-CB 3.3Å; G230-L235 WeakPolarHBondContact O-CB 3.47Å; G230-L235 PolarHBondContact O-N 2.91Å; L235-L240 HydrophobicContact CD1-CD1 4.05Å; L235-L240 HydrophobicContact CD1-CD2 4.33Å
236	D	98.5	Very high	98.3	Very high	84 Å²	84	68.6 Å²	68.6	45%	0.449	36%	0.361	S	S	.	.			trans	-61.5	125.3	163.4	164.6	32.7	0	0	0	109.5	K238 L239 L240	D236-K238 VanDerWaalsContact C-N 3.25Å; D236-K238 PolarHBondContact O-N 3.42Å; D236-K238 PolarHBondContact OD1-N 2.88Å; D236-K238 VanDerWaalsContact OD1-N 3.09Å; D236-L239 HydrophobicContact CB-CB 4.06Å; D236-L239 WeakPolarHBondContact O-CB 3.21Å; D236-L239 PolarHBondContact O-N 3.15Å; D236-L239 VanDerWaalsContact O-N 3.16Å; D236-L239 PolarHBondContact OD2-N 3.37Å; D236-L240 PolarHBondContact O-N 3.11Å
237	P	98.3	Very high	98.2	Very high	35 Å²	35	69.4 Å²	69.4	23%	0.227	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-33.2	-179.9	22.8	-34.7	0	0	0	113.3	M227 I231 L240 A241 V260 V263	M227-P237 HydrophobicContact CE-CB 3.96Å; M227-P237 WeakPolarHBondContact CE-O 3.47Å; I231-P237 HydrophobicContact CD1-CB 4.06Å; I231-P237 HydrophobicContact CG1-CB 4.09Å; P237-L240 PolarHBondContact O-N 3.21Å; P237-A241 WeakPolarHBondContact O-CB 3.4Å; P237-A241 PolarHBondContact O-N 3.14Å; P237-V260 HydrophobicContact CB-CG1 4.06Å; P237-V263 HydrophobicContact CB-CG2 3.86Å
238	K	98.6	Very high	98.2	Very high	130 Å²	130	75.8 Å²	75.8	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-68.1	-42.4	177.3	-72.6	-176.5	175.7	-177.7	0	111.5	D236 K242 G262	D236-K238 VanDerWaalsContact C-N 3.25Å; D236-K238 PolarHBondContact O-N 3.42Å; D236-K238 PolarHBondContact OD1-N 2.88Å; D236-K238 VanDerWaalsContact OD1-N 3.09Å; K238-K242 WeakPolarHBondContact O-CB 3.43Å; K238-K242 PolarHBondContact O-N 2.85Å; K238-G262 WeakPolarHBondContact CE-O 3.37Å
239	L	98.6	Very high	98.2	Very high	82 Å²	82	76.6 Å²	76.6	43%	0.429	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-47	173.6	177.8	61.9	0	0	0	111.7	D236 K242 I243	D236-L239 HydrophobicContact CB-CB 4.06Å; D236-L239 WeakPolarHBondContact O-CB 3.21Å; D236-L239 PolarHBondContact O-N 3.15Å; D236-L239 VanDerWaalsContact O-N 3.16Å; D236-L239 PolarHBondContact OD2-N 3.37Å; L239-K242 WeakPolarHBondContact O-CB 3.48Å; L239-K242 PolarHBondContact O-N 3.31Å; L239-I243 HydrophobicContact CD1-CD1 4.25Å; L239-I243 HydrophobicContact CG-CD1 4.18Å; L239-I243 WeakPolarHBondContact O-CG1 3.47Å; L239-I243 PolarHBondContact O-N 2.81Å
240	L	98.7	Very high	98.2	Very high	18 Å²	18	79 Å²	79	9%	0.094	43%	0.425	C	S	.	.	H	α-helix	trans	-62.9	-47	179.3	179.2	57.7	0	0	0	111.7	M227 L235 D236 P237 K242 I243 L244	M227-L240 HydrophobicContact SD-CB 4.33Å; M227-L240 HydrophobicContact SD-CD2 3.85Å; M227-L240 HydrophobicContact SD-CG 3.84Å; L235-L240 HydrophobicContact CD1-CD1 4.05Å; L235-L240 HydrophobicContact CD1-CD2 4.33Å; D236-L240 PolarHBondContact O-N 3.11Å; P237-L240 PolarHBondContact O-N 3.21Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 2.97Å; L240-I243 PolarHBondContact O-N 2.97Å; L240-I243 VanDerWaalsContact O-N 3.09Å; L240-L244 HydrophobicContact CD1-CD1 4.48Å; L240-L244 HydrophobicContact CD1-CD2 4.5Å; L240-L244 HydrophobicContact CD1-CG 4.19Å; L240-L244 HydrophobicContact CG-CD1 4.25Å; L240-L244 HydrophobicContact CG-CG 4.4Å; L240-L244 WeakPolarHBondContact O-CG 3.32Å; L240-L244 PolarHBondContact O-N 3.29Å
241	A	98.7	Very high	98.2	Very high	3 Å²	3	80.2 Å²	80.2	3%	0.025	43%	0.433	C	S	.	.	H	α-helix	trans	-57.5	-42.2	175.9	0	0	0	0	0	111.7	M227 P237 I243 L244 N245 V263	M227-A241 HydrophobicContact CE-CB 4.11Å; M227-A241 HydrophobicContact SD-CB 4.4Å; P237-A241 WeakPolarHBondContact O-CB 3.4Å; P237-A241 PolarHBondContact O-N 3.14Å; A241-I243 PolarHBondContact O-N 3.17Å; A241-L244 PolarHBondContact O-N 3.17Å; A241-N245 VanDerWaalsContact O-CB 3.23Å; A241-N245 WeakPolarHBondContact O-CB 3.37Å; A241-N245 PolarHBondContact O-N 2.9Å; A241-N245 PolarHBondContact O-ND2 3.41Å; A241-N245 VanDerWaalsContact O-ND2 3.15Å; A241-V263 HydrophobicContact CB-CG1 3.45Å; A241-V263 VanDerWaalsContact CB-CG1 3.45Å
242	K	98.5	Very high	98.1	Very high	144 Å²	144	83.6 Å²	83.6	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-57.6	-47.1	174	179.8	-178.5	177.5	-178.9	0	111.6	K238 L239 L240 N245 M246	K238-K242 WeakPolarHBondContact O-CB 3.43Å; K238-K242 PolarHBondContact O-N 2.85Å; L239-K242 WeakPolarHBondContact O-CB 3.48Å; L239-K242 PolarHBondContact O-N 3.31Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 2.97Å; K242-N245 PolarHBondContact O-N 3.07Å; K242-M246 HydrophobicContact CG-SD 4.43Å; K242-M246 VanDerWaalsContact O-CG 3.27Å; K242-M246 WeakPolarHBondContact O-CG 3.23Å; K242-M246 PolarHBondContact O-N 3.04Å
243	I	98.6	Very high	98.1	Very high	78 Å²	78	76.3 Å²	76.3	40%	0.4	42%	0.415	S	S	.	.	H	α-helix	trans	-62.4	-48.7	179	-69.3	168.5	0	0	0	110.7	L239 L240 A241 N245 M246 S247	L239-I243 HydrophobicContact CD1-CD1 4.25Å; L239-I243 HydrophobicContact CG-CD1 4.18Å; L239-I243 WeakPolarHBondContact O-CG1 3.47Å; L239-I243 PolarHBondContact O-N 2.81Å; L240-I243 PolarHBondContact O-N 2.97Å; L240-I243 VanDerWaalsContact O-N 3.09Å; A241-I243 PolarHBondContact O-N 3.17Å; I243-N245 VanDerWaalsContact C-N 3.29Å; I243-N245 PolarHBondContact O-N 3.42Å; I243-M246 WeakPolarHBondContact O-CG 3.48Å; I243-M246 PolarHBondContact O-N 3.3Å; I243-S247 WeakPolarHBondContact O-CB 3.49Å; I243-S247 PolarHBondContact O-N 2.83Å; I243-S247 PolarHBondContact O-OG 2.98Å
244	L	98.6	Very high	98.1	Very high	33 Å²	33	70.2 Å²	70.2	17%	0.173	38%	0.383	C	S	.	.	H	α-helix	trans	-56.5	-46.3	177.6	-66.5	176.9	0	0	0	111	M227 L240 A241 M246 S247 R250	M227-L244 HydrophobicContact CG-CD1 4.4Å; M227-L244 HydrophobicContact SD-CD1 3.78Å; L240-L244 HydrophobicContact CD1-CD1 4.48Å; L240-L244 HydrophobicContact CD1-CD2 4.5Å; L240-L244 HydrophobicContact CD1-CG 4.19Å; L240-L244 HydrophobicContact CG-CD1 4.25Å; L240-L244 HydrophobicContact CG-CG 4.4Å; L240-L244 WeakPolarHBondContact O-CG 3.32Å; L240-L244 PolarHBondContact O-N 3.29Å; A241-L244 PolarHBondContact O-N 3.17Å; L244-M246 PolarHBondContact O-N 2.82Å; L244-S247 PolarHBondContact O-N 2.88Å; L244-S247 VanDerWaalsContact O-N 3.12Å; L244-R250 WeakPolarHBondContact O-CA 3.3Å; L244-R250 WeakPolarHBondContact O-CB 3.47Å; L244-R250 PolarHBondContact O-N 2.81Å
245	N	98.5	Very high	98.1	Very high	40 Å²	40	69.8 Å²	69.8	21%	0.214	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.5	-175.6	-64.1	-19.6	0	0	0	114.5	A241 K242 I243 R250 S254 D255	A241-N245 VanDerWaalsContact O-CB 3.23Å; A241-N245 WeakPolarHBondContact O-CB 3.37Å; A241-N245 PolarHBondContact O-N 2.9Å; A241-N245 PolarHBondContact O-ND2 3.41Å; A241-N245 VanDerWaalsContact O-ND2 3.15Å; K242-N245 PolarHBondContact O-N 3.07Å; I243-N245 VanDerWaalsContact C-N 3.29Å; I243-N245 PolarHBondContact O-N 3.42Å; N245-R250 WeakPolarHBondContact O-CD 3.3Å; N245-S254 PolarHBondContact ND2-O 2.97Å; N245-S254 VanDerWaalsContact OD1-C 3.23Å; N245-S254 VanDerWaalsContact OD1-CB 3.28Å; N245-S254 WeakPolarHBondContact OD1-CB 3.28Å; N245-S254 PolarHBondContact OD1-O 3.42Å; N245-S254 PolarHBondContact OD1-OG 2.76Å; N245-D255 HydrophobicContact CB-CB 4.22Å; N245-D255 WeakPolarHBondContact ND2-CA 3.22Å; N245-D255 PolarHBondContact OD1-N 3.38Å
246	M	97.8	Very high	97.9	Very high	140 Å²	140	69.2 Å²	69.2	69%	0.69	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	8.8	169.7	68.4	-174.5	-85.5	0	0	113	K242 I243 L244	K242-M246 HydrophobicContact CG-SD 4.43Å; K242-M246 VanDerWaalsContact O-CG 3.27Å; K242-M246 WeakPolarHBondContact O-CG 3.23Å; K242-M246 PolarHBondContact O-N 3.04Å; I243-M246 WeakPolarHBondContact O-CG 3.48Å; I243-M246 PolarHBondContact O-N 3.3Å; L244-M246 PolarHBondContact O-N 2.82Å
247	S	98.2	Very high	97.8	Very high	59 Å²	59	67.1 Å²	67.1	41%	0.413	35%	0.351	S	S	.	.	S	Bend	trans	-124	-176.9	-175.8	-56.7	0	0	0	0	111.3	I243 L244 G249 R250	I243-S247 WeakPolarHBondContact O-CB 3.49Å; I243-S247 PolarHBondContact O-N 2.83Å; I243-S247 PolarHBondContact O-OG 2.98Å; L244-S247 PolarHBondContact O-N 2.88Å; L244-S247 VanDerWaalsContact O-N 3.12Å; S247-G249 PolarHBondContact O-N 3.42Å; S247-R250 WeakPolarHBondContact O-CB 3.34Å; S247-R250 PolarHBondContact O-N 3.48Å
248	S	98.1	Very high	97.8	Very high	134 Å²	134	65.5 Å²	65.5	94%	0.937	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.6	178.7	51.7	0	0	0	0	114.5	R250	S248-R250 VanDerWaalsContact C-N 3.28Å; S248-R250 PolarHBondContact O-N 3.32Å
249	G	98	Very high	97.8	Very high	45 Å²	45	59.3 Å²	59.3	46%	0.464	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.1	176.1	0	0	0	0	0	114.7	S247 C251	S247-G249 PolarHBondContact O-N 3.42Å; G249-C251 PolarHBondContact O-N 3.35Å
250	R	98.5	Very high	97.8	Very high	155 Å²	155	55.7 Å²	55.7	59%	0.585	30%	0.295	S	S	*	.			trans	-60.7	128.3	-178.3	-179.2	175	66.8	179.8	3.3	111.3	L244 N245 S247 S248 D255	L244-R250 WeakPolarHBondContact O-CA 3.3Å; L244-R250 WeakPolarHBondContact O-CB 3.47Å; L244-R250 PolarHBondContact O-N 2.81Å; N245-R250 WeakPolarHBondContact O-CD 3.3Å; S247-R250 WeakPolarHBondContact O-CB 3.34Å; S247-R250 PolarHBondContact O-N 3.48Å; S248-R250 VanDerWaalsContact C-N 3.28Å; S248-R250 PolarHBondContact O-N 3.32Å; R250-D255 WeakPolarHBondContact CD-OD2 3.4Å; R250-D255 HydrophobicContact CG-CB 4.3Å; R250-D255 WeakPolarHBondContact CG-OD2 3.45Å
251	C	98.1	Very high	97.7	Very high	32 Å²	32	57.8 Å²	57.8	22%	0.216	31%	0.31	C	S	.	.			trans	-143.9	168.4	168.8	63.8	0	0	0	0	110.3	T223 G249 S253 S254 D255	T223-C251 PolarHBondContact OG1-SG 3.28Å; G249-C251 PolarHBondContact O-N 3.35Å; C251-S253 PolarHBondContact O-N 2.96Å; C251-S254 PolarHBondContact N-OG 3.39Å; C251-S254 VanDerWaalsContact N-OG 3.17Å; C251-S254 PolarHBondContact O-N 3.29Å; C251-S254 PolarHBondContact O-OG 2.9Å; C251-D255 PolarHBondContact O-N 3.48Å; C251-D255 VanDerWaalsContact O-N 3.08Å
252	W	95.4	Very high	97.7	Very high	119 Å²	119	59.8 Å²	59.8	45%	0.451	33%	0.331	S	S	.	.	H	α-helix	trans	-54.5	-37.9	178.6	-178.2	88.3	0	0	0	112.5	L216 S254 D255 T256 Y257 F323	L216-W252 HydrophobicContact CD1-CE3 3.66Å; L216-W252 HydrophobicContact CD1-CZ3 3.87Å; W252-S254 PolarHBondContact O-N 3.4Å; W252-D255 WeakPolarHBondContact CA-OD1 3.45Å; W252-T256 HydrophobicContact CZ2-CG2 4.28Å; W252-T256 VanDerWaalsContact NE1-CG2 3.34Å; W252-T256 WeakPolarHBondContact O-CB 3.32Å; W252-T256 PolarHBondContact O-N 3.33Å; W252-Y257 AromaticContact CH2-CD1 3.83Å; W252-Y257 HydrophobicContact CH2-CD1 3.83Å; W252-Y257 AromaticContact CH2-CD2 3.38Å; W252-Y257 HydrophobicContact CH2-CD2 3.38Å; W252-Y257 HydrophobicContact CH2-CE1 4.37Å; W252-Y257 AromaticContact CH2-CE2 3.99Å; W252-Y257 HydrophobicContact CH2-CE2 3.99Å; W252-Y257 AromaticContact CH2-CG 3.25Å; W252-Y257 HydrophobicContact CH2-CG 3.25Å; W252-Y257 AromaticContact CZ2-CD2 3.79Å; W252-Y257 HydrophobicContact CZ2-CD2 3.79Å; W252-Y257 HydrophobicContact CZ2-CE2 4.46Å; W252-Y257 HydrophobicContact CZ2-CG 4.02Å; W252-Y257 AromaticContact CZ3-CD1 3.93Å; W252-Y257 HydrophobicContact CZ3-CD1 3.93Å; W252-Y257 HydrophobicContact CZ3-CD2 4.16Å; W252-Y257 AromaticContact CZ3-CG 3.55Å; W252-Y257 HydrophobicContact CZ3-CG 3.55Å; W252-Y257 PolarHBondContact O-N 3.08Å; W252-Y257 VanDerWaalsContact O-N 3.12Å; W252-F323 HydrophobicContact CZ3-CZ 4.09Å
253	S	97.2	Very high	97.7	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-28.3	176.6	-57.5	0	0	0	0	113.2	M220 C251 Y257 N258	M220-S253 PolarHBondContact N-OG 2.89Å; C251-S253 PolarHBondContact O-N 2.96Å; S253-Y257 CarbonylContact O-C 3.48Å; S253-N258 VanDerWaalsContact O-CA 3.23Å; S253-N258 WeakPolarHBondContact O-CA 3.4Å; S253-N258 PolarHBondContact O-N 3.09Å
254	S	98.1	Very high	97.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-96.6	-33.9	-177.4	72.2	0	0	0	0	113.6	N245 C251 W252 N258	N245-S254 PolarHBondContact ND2-O 2.97Å; N245-S254 VanDerWaalsContact OD1-C 3.23Å; N245-S254 VanDerWaalsContact OD1-CB 3.28Å; N245-S254 WeakPolarHBondContact OD1-CB 3.28Å; N245-S254 PolarHBondContact OD1-O 3.42Å; N245-S254 PolarHBondContact OD1-OG 2.76Å; C251-S254 PolarHBondContact N-OG 3.39Å; C251-S254 VanDerWaalsContact N-OG 3.17Å; C251-S254 PolarHBondContact O-N 3.29Å; C251-S254 PolarHBondContact O-OG 2.9Å; W252-S254 PolarHBondContact O-N 3.4Å; S254-N258 PolarHBondContact O-ND2 3.05Å
255	D	96.9	Very high	97.5	Very high	57 Å²	57	58.3 Å²	58.3	31%	0.305	33%	0.331	S	S	.	.	H	α-helix	trans	-100.3	-22.5	-173.6	73.8	5.3	0	0	0	115.1	N245 R250 C251 W252 M264	N245-D255 HydrophobicContact CB-CB 4.22Å; N245-D255 WeakPolarHBondContact ND2-CA 3.22Å; N245-D255 PolarHBondContact OD1-N 3.38Å; R250-D255 WeakPolarHBondContact CD-OD2 3.4Å; R250-D255 HydrophobicContact CG-CB 4.3Å; R250-D255 WeakPolarHBondContact CG-OD2 3.45Å; C251-D255 PolarHBondContact O-N 3.48Å; C251-D255 VanDerWaalsContact O-N 3.08Å; W252-D255 WeakPolarHBondContact CA-OD1 3.45Å; D255-M264 WeakPolarHBondContact O-CE 3.5Å
256	T	94	Very high	97.2	Very high	64 Å²	64	60.5 Å²	60.5	39%	0.393	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-27.1	-175.3	-54	0	0	0	0	111.8	W252 M264 V267	W252-T256 HydrophobicContact CZ2-CG2 4.28Å; W252-T256 VanDerWaalsContact NE1-CG2 3.34Å; W252-T256 WeakPolarHBondContact O-CB 3.32Å; W252-T256 PolarHBondContact O-N 3.33Å; T256-M264 WeakPolarHBondContact O-CE 3.46Å; T256-V267 VanDerWaalsContact O-CG1 3.3Å; T256-V267 WeakPolarHBondContact O-CG1 3.46Å
257	Y	95.7	Very high	97.1	Very high	40 Å²	40	54.3 Å²	54.3	16%	0.157	33%	0.333	C	S	.	.	S	Bend	trans	-139.8	41.4	-171.3	-139.2	-105.8	0	0	0	114.3	M220 W252 S253 V267 P268 D322 F323	M220-Y257 HydrophobicContact CE-CD1 4.14Å; W252-Y257 AromaticContact CH2-CD1 3.83Å; W252-Y257 HydrophobicContact CH2-CD1 3.83Å; W252-Y257 AromaticContact CH2-CD2 3.38Å; W252-Y257 HydrophobicContact CH2-CD2 3.38Å; W252-Y257 HydrophobicContact CH2-CE1 4.37Å; W252-Y257 AromaticContact CH2-CE2 3.99Å; W252-Y257 HydrophobicContact CH2-CE2 3.99Å; W252-Y257 AromaticContact CH2-CG 3.25Å; W252-Y257 HydrophobicContact CH2-CG 3.25Å; W252-Y257 AromaticContact CZ2-CD2 3.79Å; W252-Y257 HydrophobicContact CZ2-CD2 3.79Å; W252-Y257 HydrophobicContact CZ2-CE2 4.46Å; W252-Y257 HydrophobicContact CZ2-CG 4.02Å; W252-Y257 AromaticContact CZ3-CD1 3.93Å; W252-Y257 HydrophobicContact CZ3-CD1 3.93Å; W252-Y257 HydrophobicContact CZ3-CD2 4.16Å; W252-Y257 AromaticContact CZ3-CG 3.55Å; W252-Y257 HydrophobicContact CZ3-CG 3.55Å; W252-Y257 PolarHBondContact O-N 3.08Å; W252-Y257 VanDerWaalsContact O-N 3.12Å; S253-Y257 CarbonylContact O-C 3.48Å; Y257-V267 HydrophobicContact CD2-CB 4.49Å; Y257-V267 HydrophobicContact CD2-CG1 4.05Å; Y257-V267 HydrophobicContact CG-CG1 4.49Å; Y257-P268 VanDerWaalsContact CE1-CD 3.49Å; Y257-P268 HydrophobicContact CE1-CG 3.66Å; Y257-P268 HydrophobicContact CE2-CG 4.31Å; Y257-P268 VanDerWaalsContact CZ-CG 3.41Å; Y257-P268 VanDerWaalsContact OH-CD 3.27Å; Y257-P268 WeakPolarHBondContact OH-CD 3.4Å; Y257-P268 WeakPolarHBondContact OH-CG 3.46Å; Y257-D322 WeakPolarHBondContact CE1-OD1 3.23Å; Y257-D322 PolarHBondContact OH-OD2 3.29Å; Y257-F323 HydrophobicContact CD1-CE1 4.02Å; Y257-F323 HydrophobicContact CD1-CZ 4.24Å; Y257-F323 AromaticContact CE1-CE1 3.76Å; Y257-F323 HydrophobicContact CE1-CE1 3.76Å; Y257-F323 HydrophobicContact CE1-CZ 4.43Å
258	N	98.4	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.316	C	S	.	.			trans	-54.7	128.3	-170	-161.1	-72.7	0	0	0	112.9	S253 S254 V260 V263 M264 S269	S253-N258 VanDerWaalsContact O-CA 3.23Å; S253-N258 WeakPolarHBondContact O-CA 3.4Å; S253-N258 PolarHBondContact O-N 3.09Å; S254-N258 PolarHBondContact O-ND2 3.05Å; N258-V260 VanDerWaalsContact C-N 3.25Å; N258-V260 PolarHBondContact O-N 2.72Å; N258-V260 WeakPolarHBondContact OD1-CB 3.46Å; N258-V260 PolarHBondContact OD1-N 2.82Å; N258-V260 VanDerWaalsContact OD1-N 3.14Å; N258-V263 HydrophobicContact CB-CB 4.48Å; N258-V263 HydrophobicContact CB-CG1 4.18Å; N258-M264 HydrophobicContact CB-CB 4.42Å; N258-M264 HydrophobicContact CB-CG 3.88Å; N258-M264 HydrophobicContact CB-SD 3.6Å; N258-M264 VanDerWaalsContact CB-SD 3.6Å; N258-S269 WeakPolarHBondContact O-CB 3.4Å; N258-S269 PolarHBondContact O-OG 3Å
259	P	98.5	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-77.9	-7	-172.4	32.6	-38	0	0	0	113.8	M220 T223 A224 S269 Y273 S324 F327	M220-P259 HydrophobicContact SD-CB 3.8Å; M220-P259 HydrophobicContact SD-CG 3.93Å; T223-P259 HydrophobicContact CG2-CG 3.95Å; A224-P259 HydrophobicContact CB-CG 4.28Å; P259-S269 WeakPolarHBondContact O-CB 3.23Å; P259-Y273 WeakPolarHBondContact O-CE1 3.16Å; P259-Y273 PolarHBondContact O-OH 2.64Å; P259-S324 VanDerWaalsContact CB-O 3.3Å; P259-S324 WeakPolarHBondContact CB-O 3.21Å; P259-F327 HydrophobicContact CB-CB 3.75Å; P259-F327 HydrophobicContact CG-CB 4.22Å
260	V	98.5	Very high	96.9	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.036	27%	0.271	C	S	.	.	S	Bend	trans	-91.7	121.2	-176.5	-175.1	0	0	0	0	111.1	M227 I231 P237 N258 G262 V263 F327	M227-V260 HydrophobicContact CB-CG2 3.63Å; M227-V260 HydrophobicContact CE-CB 4.04Å; M227-V260 HydrophobicContact CE-CG1 4.5Å; M227-V260 HydrophobicContact CE-CG2 3.51Å; M227-V260 HydrophobicContact CG-CG2 3.89Å; I231-V260 HydrophobicContact CD1-CG1 4.21Å; P237-V260 HydrophobicContact CB-CG1 4.06Å; N258-V260 VanDerWaalsContact C-N 3.25Å; N258-V260 PolarHBondContact O-N 2.72Å; N258-V260 WeakPolarHBondContact OD1-CB 3.46Å; N258-V260 PolarHBondContact OD1-N 2.82Å; N258-V260 VanDerWaalsContact OD1-N 3.14Å; V260-G262 PolarHBondContact O-N 3.46Å; V260-V263 HydrophobicContact CB-CG2 3.77Å; V260-V263 HydrophobicContact CG1-CG2 3.85Å; V260-V263 PolarHBondContact O-N 3.48Å; V260-F327 HydrophobicContact CB-CE1 4.1Å; V260-F327 HydrophobicContact CB-CZ 4.13Å; V260-F327 HydrophobicContact CG1-CE1 3.83Å; V260-F327 HydrophobicContact CG1-CZ 3.76Å; V260-F327 HydrophobicContact CG2-CD1 4.16Å; V260-F327 HydrophobicContact CG2-CD2 3.86Å; V260-F327 HydrophobicContact CG2-CE1 3.88Å; V260-F327 HydrophobicContact CG2-CE2 3.58Å; V260-F327 HydrophobicContact CG2-CG 4.13Å; V260-F327 HydrophobicContact CG2-CZ 3.56Å
261	P	98.3	Very high	96.8	Very high	63 Å²	63	43.8 Å²	43.8	41%	0.409	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	133.5	177.8	-25.7	35.7	0	0	0	112.2	S269 Y273	P261-S269 WeakPolarHBondContact CB-O 3.27Å; P261-Y273 WeakPolarHBondContact CD-OH 3.48Å; P261-Y273 HydrophobicContact CG-CE2 4.44Å
262	G	97.8	Very high	96.7	Very high	45 Å²	45	46.8 Å²	46.8	46%	0.464	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-2.6	177.2	0	0	0	0	0	115.8	K238 V260	K238-G262 WeakPolarHBondContact CE-O 3.37Å; V260-G262 PolarHBondContact O-N 3.46Å
263	V	98.3	Very high	96.8	Very high	27 Å²	27	41.3 Å²	41.3	16%	0.164	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-42.1	174.5	175.5	0	0	0	0	112	M227 P237 A241 N258 V260	M227-V263 HydrophobicContact CE-CG2 4.15Å; P237-V263 HydrophobicContact CB-CG2 3.86Å; A241-V263 HydrophobicContact CB-CG1 3.45Å; A241-V263 VanDerWaalsContact CB-CG1 3.45Å; N258-V263 HydrophobicContact CB-CB 4.48Å; N258-V263 HydrophobicContact CB-CG1 4.18Å; V260-V263 HydrophobicContact CB-CG2 3.77Å; V260-V263 HydrophobicContact CG1-CG2 3.85Å; V260-V263 PolarHBondContact O-N 3.48Å
264	M	97.8	Very high	96.7	Very high	46 Å²	46	46.3 Å²	46.3	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	-130.1	141.4	179.5	-72.5	-174.8	72.4	0	0	110.7	D255 T256 N258 V267	D255-M264 WeakPolarHBondContact O-CE 3.5Å; T256-M264 WeakPolarHBondContact O-CE 3.46Å; N258-M264 HydrophobicContact CB-CB 4.42Å; N258-M264 HydrophobicContact CB-CG 3.88Å; N258-M264 HydrophobicContact CB-SD 3.6Å; N258-M264 VanDerWaalsContact CB-SD 3.6Å; M264-V267 HydrophobicContact CB-CG1 4.34Å; M264-V267 HydrophobicContact CB-CG2 3.8Å; M264-V267 HydrophobicContact CE-CG1 4.39Å; M264-V267 WeakPolarHBondContact O-CG2 3.34Å
265	D	96.3	Very high	96.1	Very high	151 Å²	151	48.8 Å²	48.8	81%	0.807	31%	0.312	S	S	*	.	S	Bend	trans	-83.7	158.5	169.2	-61.2	-38.1	0	0	0	110.6	V267	D265-V267 PolarHBondContact O-N 3.16Å
266	G	92.3	Very high	95.7	Very high	85 Å²	85	47.9 Å²	47.9	88%	0.876	32%	0.316	S	S	*	.	S	Bend	trans	74.1	4.9	173.3	0	0	0	0	0	116.1
267	V	94.2	Very high	95.6	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.067	31%	0.307	C	S	.	.	S	Bend	trans	-107.4	157.8	175.8	-62.3	0	0	0	0	111.1	T256 Y257 M264 D265 S269 A270	T256-V267 VanDerWaalsContact O-CG1 3.3Å; T256-V267 WeakPolarHBondContact O-CG1 3.46Å; Y257-V267 HydrophobicContact CD2-CB 4.49Å; Y257-V267 HydrophobicContact CD2-CG1 4.05Å; Y257-V267 HydrophobicContact CG-CG1 4.49Å; M264-V267 HydrophobicContact CB-CG1 4.34Å; M264-V267 HydrophobicContact CB-CG2 3.8Å; M264-V267 HydrophobicContact CE-CG1 4.39Å; M264-V267 WeakPolarHBondContact O-CG2 3.34Å; D265-V267 PolarHBondContact O-N 3.16Å; V267-S269 VanDerWaalsContact C-N 3.26Å; V267-S269 VanDerWaalsContact CG2-OG 3.28Å; V267-S269 WeakPolarHBondContact CG2-OG 3.07Å; V267-S269 PolarHBondContact O-N 3.35Å; V267-A270 WeakPolarHBondContact O-CB 3.49Å; V267-A270 PolarHBondContact O-N 2.95Å
268	P	95.2	Very high	95.5	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.058	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.5	-32.3	-176.9	-27.7	36.3	0	0	0	114.6	Y257 A270 N271 N272 Y273 D322	Y257-P268 VanDerWaalsContact CE1-CD 3.49Å; Y257-P268 HydrophobicContact CE1-CG 3.66Å; Y257-P268 HydrophobicContact CE2-CG 4.31Å; Y257-P268 VanDerWaalsContact CZ-CG 3.41Å; Y257-P268 VanDerWaalsContact OH-CD 3.27Å; Y257-P268 WeakPolarHBondContact OH-CD 3.4Å; Y257-P268 WeakPolarHBondContact OH-CG 3.46Å; P268-A270 PolarHBondContact O-N 2.95Å; P268-N271 CarbonylContact O-C 3.55Å; P268-N271 VanDerWaalsContact O-C 3.25Å; P268-N271 WeakPolarHBondContact O-CA 3.46Å; P268-N271 PolarHBondContact O-N 3.3Å; P268-N272 PolarHBondContact O-N 2.99Å; P268-Y273 VanDerWaalsContact O-CA 3.22Å; P268-Y273 WeakPolarHBondContact O-CA 3.24Å; P268-Y273 PolarHBondContact O-N 3.13Å; P268-D322 HydrophobicContact CB-CB 3.55Å; P268-D322 HydrophobicContact CG-CB 3.89Å
269	S	97.5	Very high	95.4	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27	176.4	64.5	0	0	0	0	112.8	N258 P259 P261 V267 N271	N258-S269 WeakPolarHBondContact O-CB 3.4Å; N258-S269 PolarHBondContact O-OG 3Å; P259-S269 WeakPolarHBondContact O-CB 3.23Å; P261-S269 WeakPolarHBondContact CB-O 3.27Å; V267-S269 VanDerWaalsContact C-N 3.26Å; V267-S269 VanDerWaalsContact CG2-OG 3.28Å; V267-S269 WeakPolarHBondContact CG2-OG 3.07Å; V267-S269 PolarHBondContact O-N 3.35Å; S269-N271 VanDerWaalsContact C-N 3.27Å; S269-N271 PolarHBondContact O-N 3.45Å
270	A	97.5	Very high	95.3	Very high	53 Å²	53	49 Å²	49	44%	0.438	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-77	-10.1	172.4	0	0	0	0	0	113.7	V267 P268	V267-A270 WeakPolarHBondContact O-CB 3.49Å; V267-A270 PolarHBondContact O-N 2.95Å; P268-A270 PolarHBondContact O-N 2.95Å
271	N	96.8	Very high	95.1	Very high	105 Å²	105	52.4 Å²	52.4	56%	0.561	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-130.7	45.4	-177.9	-168.8	27.3	0	0	0	111.7	P268 S269 Y273 Q274	P268-N271 CarbonylContact O-C 3.55Å; P268-N271 VanDerWaalsContact O-C 3.25Å; P268-N271 WeakPolarHBondContact O-CA 3.46Å; P268-N271 PolarHBondContact O-N 3.3Å; S269-N271 VanDerWaalsContact C-N 3.27Å; S269-N271 PolarHBondContact O-N 3.45Å; N271-Y273 PolarHBondContact O-N 3.06Å; N271-Q274 VanDerWaalsContact O-CB 3.31Å; N271-Q274 WeakPolarHBondContact O-CB 3.3Å; N271-Q274 WeakPolarHBondContact O-CG 3.4Å; N271-Q274 PolarHBondContact O-N 2.89Å
272	N	96.9	Very high	95.1	Very high	96 Å²	96	49.4 Å²	49.4	51%	0.513	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	34.1	178.4	-161.2	22.1	0	0	0	114.5	P268 Q274 K321	P268-N272 PolarHBondContact O-N 2.99Å; N272-Q274 VanDerWaalsContact C-N 3.28Å; N272-Q274 PolarHBondContact O-N 3Å; N272-K321 PolarHBondContact O-NZ 2.92Å; N272-K321 PolarHBondContact OD1-NZ 3.37Å
273	Y	96.7	Very high	95.1	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.016	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	31	-178.5	-50.4	-83.5	0	0	0	114.2	P259 P261 P268 N271 K321 D322 S324 S325 Q328	P259-Y273 WeakPolarHBondContact O-CE1 3.16Å; P259-Y273 PolarHBondContact O-OH 2.64Å; P261-Y273 WeakPolarHBondContact CD-OH 3.48Å; P261-Y273 HydrophobicContact CG-CE2 4.44Å; P268-Y273 VanDerWaalsContact O-CA 3.22Å; P268-Y273 WeakPolarHBondContact O-CA 3.24Å; P268-Y273 PolarHBondContact O-N 3.13Å; N271-Y273 PolarHBondContact O-N 3.06Å; Y273-K321 WeakPolarHBondContact O-CA 3.18Å; Y273-D322 PolarHBondContact O-N 3.39Å; Y273-S324 WeakPolarHBondContact CD1-OG 3.44Å; Y273-S324 WeakPolarHBondContact CE1-O 3.47Å; Y273-S325 VanDerWaalsContact CD1-CA 3.45Å; Y273-Q328 HydrophobicContact CD2-CB 4.41Å; Y273-Q328 HydrophobicContact CE2-CB 3.7Å; Y273-Q328 HydrophobicContact CE2-CG 4.39Å
274	Q	94.7	Very high	95.1	Very high	106 Å²	106	48.4 Å²	48.4	50%	0.495	31%	0.306	S	S	.	.			trans	-81.6	143.7	175.5	-62.4	-64.6	-34.6	0	0	111.6	N271 N272	N271-Q274 VanDerWaalsContact O-CB 3.31Å; N271-Q274 WeakPolarHBondContact O-CB 3.3Å; N271-Q274 WeakPolarHBondContact O-CG 3.4Å; N271-Q274 PolarHBondContact O-N 2.89Å; N272-Q274 VanDerWaalsContact C-N 3.28Å; N272-Q274 PolarHBondContact O-N 3Å
275	G	86.7	Confident	95.1	Very high	52 Å²	52	46.4 Å²	46.4	54%	0.536	30%	0.296	S	S	.	.	S	Bend	trans	72.7	-142.3	-179.6	0	0	0	0	0	112.7
276	G	88.4	Confident	95.2	Very high	38 Å²	38	39.3 Å²	39.3	39%	0.392	26%	0.258	S	S	.	.	S	Bend	trans	66.5	-143.3	176.7	0	0	0	0	0	114.3	D322	G276-D322 WeakPolarHBondContact CA-OD2 3.27Å
277	F	91.1	Very high	95.5	Very high	44 Å²	44	35.9 Å²	35.9	19%	0.193	22%	0.223	C	C	.	.	S	Bend	trans	-105.2	102.8	176.9	-176.1	-120.7	0	0	0	109.6	L281 M282 D322 F323	F277-L281 HydrophobicContact CD2-CB 4.13Å; F277-L281 HydrophobicContact CD2-CD1 4.14Å; F277-L281 HydrophobicContact CE1-CB 4.5Å; F277-L281 HydrophobicContact CE2-CB 3.47Å; F277-L281 VanDerWaalsContact CE2-CB 3.47Å; F277-L281 HydrophobicContact CE2-CD1 3.97Å; F277-L281 HydrophobicContact CE2-CG 4.38Å; F277-L281 HydrophobicContact CZ-CB 3.69Å; F277-M282 HydrophobicContact CD1-CB 4.2Å; F277-M282 HydrophobicContact CD1-CE 3.83Å; F277-M282 HydrophobicContact CE1-CB 3.74Å; F277-M282 HydrophobicContact CE1-CE 3.61Å; F277-M282 HydrophobicContact CE1-CG 4.46Å; F277-M282 HydrophobicContact CE1-SD 4.03Å; F277-D322 PolarHBondContact N-OD2 3.45Å; F277-D322 WeakPolarHBondContact O-CA 3.16Å; F277-F323 HydrophobicContact CB-CD1 3.93Å; F277-F323 HydrophobicContact CB-CE1 4.24Å; F277-F323 HydrophobicContact CD1-CD1 4.01Å; F277-F323 HydrophobicContact CD1-CE1 4.49Å; F277-F323 HydrophobicContact CD1-CG 4.3Å; F277-F323 HydrophobicContact CG-CD1 4.48Å; F277-F323 WeakPolarHBondContact O-CD1 3.37Å; F277-F323 PolarHBondContact O-N 2.85Å
278	G	93.6	Very high	95.7	Very high	16 Å²	16	36.1 Å²	36.1	17%	0.165	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-59.9	142.9	-171.4	0	0	0	0	0	113.8	T280 L281 M282	G278-T280 PolarHBondContact O-N 2.62Å; G278-T280 VanDerWaalsContact O-N 3.15Å; G278-L281 WeakPolarHBondContact O-CA 3.45Å; G278-L281 WeakPolarHBondContact O-CB 3.4Å; G278-L281 PolarHBondContact O-N 3.25Å; G278-M282 PolarHBondContact O-N 2.89Å; G278-M282 VanDerWaalsContact O-N 3.11Å
279	T	97.4	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.5	-35.2	179.4	-65.4	0	0	0	0	112.6	L281 M282 A283 Y310 M313 Y318 K321	T279-L281 VanDerWaalsContact C-N 3.32Å; T279-L281 PolarHBondContact O-N 2.91Å; T279-M282 PolarHBondContact O-N 2.8Å; T279-A283 WeakPolarHBondContact O-CB 3.27Å; T279-A283 PolarHBondContact O-N 3.25Å; T279-Y310 HydrophobicContact CG2-CD1 3.94Å; T279-M313 HydrophobicContact CG2-CB 3.86Å; T279-M313 HydrophobicContact CG2-CE 4.21Å; T279-Y318 WeakPolarHBondContact CB-O 3.5Å; T279-Y318 PolarHBondContact OG1-O 2.9Å; T279-K321 WeakPolarHBondContact CB-O 3.43Å; T279-K321 PolarHBondContact N-O 3.23Å; T279-K321 PolarHBondContact OG1-O 3.15Å
280	T	96.3	Very high	95.9	Very high	69 Å²	69	37.6 Å²	37.6	42%	0.423	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-41.4	173.9	-56.2	0	0	0	0	112.4	G278 K284 S319	G278-T280 PolarHBondContact O-N 2.62Å; G278-T280 VanDerWaalsContact O-N 3.15Å; T280-K284 WeakPolarHBondContact O-CB 3Å; T280-K284 PolarHBondContact O-N 2.86Å; T280-S319 PolarHBondContact N-O 3.38Å; T280-S319 VanDerWaalsContact N-O 3.14Å; T280-S319 WeakPolarHBondContact OG1-CB 3.43Å; T280-S319 PolarHBondContact OG1-O 3.24Å
281	L	93.9	Very high	95.9	Very high	77 Å²	77	39.7 Å²	39.7	40%	0.403	23%	0.234	S	C	.	.	H	α-helix	trans	-72.5	-40	179.9	-61	177.7	0	0	0	111	F277 G278 T279 K284 D285	F277-L281 HydrophobicContact CD2-CB 4.13Å; F277-L281 HydrophobicContact CD2-CD1 4.14Å; F277-L281 HydrophobicContact CE1-CB 4.5Å; F277-L281 HydrophobicContact CE2-CB 3.47Å; F277-L281 VanDerWaalsContact CE2-CB 3.47Å; F277-L281 HydrophobicContact CE2-CD1 3.97Å; F277-L281 HydrophobicContact CE2-CG 4.38Å; F277-L281 HydrophobicContact CZ-CB 3.69Å; G278-L281 WeakPolarHBondContact O-CA 3.45Å; G278-L281 WeakPolarHBondContact O-CB 3.4Å; G278-L281 PolarHBondContact O-N 3.25Å; T279-L281 VanDerWaalsContact C-N 3.32Å; T279-L281 PolarHBondContact O-N 2.91Å; L281-K284 PolarHBondContact O-N 3.14Å; L281-D285 PolarHBondContact O-N 2.99Å
282	M	97.2	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-47.9	173.5	-178.3	56.1	82.8	0	0	111.5	L216 A217 F277 G278 T279 K284 D285 L286 Y310 F323	L216-M282 HydrophobicContact CD2-CE 3.82Å; L216-M282 HydrophobicContact CG-CE 4.04Å; A217-M282 HydrophobicContact CB-CE 4.46Å; A217-M282 HydrophobicContact CB-SD 3.89Å; F277-M282 HydrophobicContact CD1-CB 4.2Å; F277-M282 HydrophobicContact CD1-CE 3.83Å; F277-M282 HydrophobicContact CE1-CB 3.74Å; F277-M282 HydrophobicContact CE1-CE 3.61Å; F277-M282 HydrophobicContact CE1-CG 4.46Å; F277-M282 HydrophobicContact CE1-SD 4.03Å; G278-M282 PolarHBondContact O-N 2.89Å; G278-M282 VanDerWaalsContact O-N 3.11Å; T279-M282 PolarHBondContact O-N 2.8Å; M282-K284 VanDerWaalsContact C-N 3.28Å; M282-K284 PolarHBondContact O-N 3.45Å; M282-D285 PolarHBondContact O-N 3.38Å; M282-L286 HydrophobicContact CG-CD1 3.97Å; M282-L286 WeakPolarHBondContact O-CB 3.29Å; M282-L286 WeakPolarHBondContact O-CG 3.23Å; M282-L286 PolarHBondContact O-N 2.9Å; M282-L286 HydrophobicContact SD-CD1 4.11Å; M282-L286 HydrophobicContact SD-CG 4.19Å; M282-Y310 HydrophobicContact CB-CD1 4.45Å; M282-Y310 HydrophobicContact CG-CD1 4.07Å; M282-Y310 HydrophobicContact CG-CD2 3.78Å; M282-Y310 HydrophobicContact CG-CE1 4.11Å; M282-Y310 HydrophobicContact CG-CE2 3.81Å; M282-Y310 HydrophobicContact CG-CG 3.91Å; M282-F323 HydrophobicContact CB-CB 3.86Å; M282-F323 HydrophobicContact CE-CB 4.33Å; M282-F323 HydrophobicContact CE-CD2 3.37Å; M282-F323 HydrophobicContact CE-CE2 3.74Å; M282-F323 HydrophobicContact CE-CG 3.83Å; M282-F323 HydrophobicContact CE-CZ 4.46Å; M282-F323 HydrophobicContact CG-CB 4.09Å; M282-F323 HydrophobicContact CG-CD2 4.46Å
283	A	98.4	Very high	96	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-39.3	177	0	0	0	0	0	112	T279 L286 G287	T279-A283 WeakPolarHBondContact O-CB 3.27Å; T279-A283 PolarHBondContact O-N 3.25Å; A283-L286 PolarHBondContact O-N 2.94Å; A283-G287 PolarHBondContact O-N 3.32Å
284	K	97.5	Very high	96.1	Very high	49 Å²	49	36.1 Å²	36.1	21%	0.213	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-46.3	176.1	169.3	-81.9	-156.7	162.2	0	111.8	P104 T134 T280 L281 M282 L286 G287 L288	P104-K284 WeakPolarHBondContact O-CE 3.37Å; P104-K284 PolarHBondContact O-NZ 2.54Å; T134-K284 WeakPolarHBondContact O-CE 3.26Å; T134-K284 PolarHBondContact O-NZ 2.83Å; T280-K284 WeakPolarHBondContact O-CB 3Å; T280-K284 PolarHBondContact O-N 2.86Å; L281-K284 PolarHBondContact O-N 3.14Å; M282-K284 VanDerWaalsContact C-N 3.28Å; M282-K284 PolarHBondContact O-N 3.45Å; K284-L286 VanDerWaalsContact C-N 3.27Å; K284-L286 PolarHBondContact O-N 2.77Å; K284-G287 WeakPolarHBondContact O-CA 3.3Å; K284-G287 PolarHBondContact O-N 3.35Å; K284-G287 VanDerWaalsContact O-N 3.08Å; K284-L288 HydrophobicContact CD-CD1 4.31Å; K284-L288 PolarHBondContact O-N 2.93Å; K284-L288 VanDerWaalsContact O-N 3.08Å
285	D	97.9	Very high	96.2	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-32.9	179.5	-74.7	0.7	0	0	0	111.5	T134 N213 L281 M282 L288 A289	T134-D285 WeakPolarHBondContact CG2-OD1 3.11Å; N213-D285 HydrophobicContact CB-CB 4.34Å; N213-D285 PolarHBondContact ND2-OD2 3.08Å; L281-D285 PolarHBondContact O-N 2.99Å; M282-D285 PolarHBondContact O-N 3.38Å; D285-L288 WeakPolarHBondContact O-CB 3.48Å; D285-L288 PolarHBondContact O-N 2.93Å; D285-A289 PolarHBondContact O-N 2.91Å
286	L	98.6	Very high	96.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-71.1	-29.5	171.1	-70.4	169.7	0	0	0	113.3	M214 A217 M282 A283 K284 A289 Q290 H307 Y310	M214-L286 HydrophobicContact CB-CD2 4.27Å; M214-L286 HydrophobicContact CG-CD2 4.29Å; A217-L286 HydrophobicContact CB-CD1 3.7Å; A217-L286 HydrophobicContact CB-CD2 3.72Å; A217-L286 HydrophobicContact CB-CG 4.15Å; M282-L286 HydrophobicContact CG-CD1 3.97Å; M282-L286 WeakPolarHBondContact O-CB 3.29Å; M282-L286 WeakPolarHBondContact O-CG 3.23Å; M282-L286 PolarHBondContact O-N 2.9Å; M282-L286 HydrophobicContact SD-CD1 4.11Å; M282-L286 HydrophobicContact SD-CG 4.19Å; A283-L286 PolarHBondContact O-N 2.94Å; K284-L286 VanDerWaalsContact C-N 3.27Å; K284-L286 PolarHBondContact O-N 2.77Å; L286-A289 WeakPolarHBondContact O-CB 3.41Å; L286-A289 PolarHBondContact O-N 3.27Å; L286-Q290 WeakPolarHBondContact O-CB 3.28Å; L286-Q290 PolarHBondContact O-N 3.25Å; L286-H307 HydrophobicContact CB-CB 3.82Å; L286-Y310 HydrophobicContact CD1-CD2 3.43Å; L286-Y310 VanDerWaalsContact CD1-CD2 3.43Å; L286-Y310 HydrophobicContact CD1-CE2 4.24Å; L286-Y310 HydrophobicContact CD1-CG 4.12Å
287	G	98.5	Very high	97.2	Very high	13 Å²	13	44.9 Å²	44.9	13%	0.134	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-47.9	167	0	0	0	0	0	111.5	A283 K284 A289 Q290 D291	A283-G287 PolarHBondContact O-N 3.32Å; K284-G287 WeakPolarHBondContact O-CA 3.3Å; K284-G287 PolarHBondContact O-N 3.35Å; K284-G287 VanDerWaalsContact O-N 3.08Å; G287-A289 VanDerWaalsContact C-N 3.3Å; G287-A289 PolarHBondContact O-N 2.91Å; G287-Q290 WeakPolarHBondContact O-CB 3.49Å; G287-Q290 PolarHBondContact O-N 3.46Å; G287-Q290 VanDerWaalsContact O-N 3.09Å; G287-D291 PolarHBondContact O-N 3.12Å
288	L	98.4	Very high	97.6	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-40.2	174.8	-61	175.1	0	0	0	112.1	T134 D136 I210 K284 D285 S292	T134-L288 HydrophobicContact CG2-CD1 4.09Å; D136-L288 HydrophobicContact CB-CD2 4.02Å; I210-L288 HydrophobicContact CD1-CB 3.84Å; I210-L288 HydrophobicContact CD1-CD1 4.35Å; I210-L288 HydrophobicContact CG1-CB 4.11Å; I210-L288 HydrophobicContact CG1-CD1 4.47Å; K284-L288 HydrophobicContact CD-CD1 4.31Å; K284-L288 PolarHBondContact O-N 2.93Å; K284-L288 VanDerWaalsContact O-N 3.08Å; D285-L288 WeakPolarHBondContact O-CB 3.48Å; D285-L288 PolarHBondContact O-N 2.93Å; L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.42Å; L288-S292 PolarHBondContact O-N 3.22Å; L288-S292 PolarHBondContact O-OG 3.08Å
289	A	98.6	Very high	97.8	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-43.1	174.4	0	0	0	0	0	112	I210 M214 D285 L286 G287 A293	I210-A289 VanDerWaalsContact CG2-CA 3.4Å; I210-A289 HydrophobicContact CG2-CB 3.57Å; M214-A289 HydrophobicContact CB-CB 4.15Å; M214-A289 HydrophobicContact CG-CB 4.36Å; M214-A289 HydrophobicContact SD-CB 4.08Å; D285-A289 PolarHBondContact O-N 2.91Å; L286-A289 WeakPolarHBondContact O-CB 3.41Å; L286-A289 PolarHBondContact O-N 3.27Å; G287-A289 VanDerWaalsContact C-N 3.3Å; G287-A289 PolarHBondContact O-N 2.91Å; A289-A293 WeakPolarHBondContact O-CB 3.48Å; A289-A293 PolarHBondContact O-N 3.35Å
290	Q	98.7	Very high	97.9	Very high	39 Å²	39	52 Å²	52	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-44	179.3	-171.9	66.8	72.6	0	0	112.3	L286 G287 T294 S304 H307	L286-Q290 WeakPolarHBondContact O-CB 3.28Å; L286-Q290 PolarHBondContact O-N 3.25Å; G287-Q290 WeakPolarHBondContact O-CB 3.49Å; G287-Q290 PolarHBondContact O-N 3.46Å; G287-Q290 VanDerWaalsContact O-N 3.09Å; Q290-T294 WeakPolarHBondContact O-CB 3.45Å; Q290-T294 PolarHBondContact O-N 3.17Å; Q290-T294 PolarHBondContact O-OG1 2.66Å; Q290-S304 PolarHBondContact NE2-OG 3.18Å; Q290-S304 VanDerWaalsContact NE2-OG 3.17Å; Q290-S304 VanDerWaalsContact OE1-CA 3.29Å; Q290-S304 VanDerWaalsContact OE1-CB 3.3Å; Q290-S304 PolarHBondContact OE1-OG 2.99Å; Q290-H307 WeakPolarHBondContact CB-ND1 3.44Å
291	D	98.2	Very high	98	Very high	96 Å²	96	56 Å²	56	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-68.5	-44.8	179.7	-67.1	-15.5	0	0	0	110.5	G287 A293 T294 S295	G287-D291 PolarHBondContact O-N 3.12Å; D291-A293 PolarHBondContact O-N 3.01Å; D291-T294 WeakPolarHBondContact O-CB 3.48Å; D291-T294 PolarHBondContact O-N 3.26Å; D291-S295 WeakPolarHBondContact O-CB 3.21Å; D291-S295 PolarHBondContact O-N 3.23Å
292	S	97.4	Very high	98.2	Very high	27 Å²	27	57.8 Å²	57.8	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-46.5	174.7	-66.8	0	0	0	0	111.7	L288 T294 S295 T296	L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.42Å; L288-S292 PolarHBondContact O-N 3.22Å; L288-S292 PolarHBondContact O-OG 3.08Å; S292-T294 VanDerWaalsContact C-N 3.31Å; S292-T294 PolarHBondContact O-N 3.48Å; S292-S295 WeakPolarHBondContact O-CB 3.49Å; S292-S295 PolarHBondContact O-N 2.67Å; S292-T296 PolarHBondContact O-N 3.12Å; S292-T296 PolarHBondContact O-OG1 3.35Å; S292-T296 VanDerWaalsContact O-OG1 3.05Å
293	A	98.4	Very high	98.3	Very high	9 Å²	9	57.9 Å²	57.9	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-36.2	178.7	0	0	0	0	0	112.6	A289 D291 K297 S298 I300	A289-A293 WeakPolarHBondContact O-CB 3.48Å; A289-A293 PolarHBondContact O-N 3.35Å; D291-A293 PolarHBondContact O-N 3.01Å; A293-K297 CarbonylContact O-C 3.47Å; A293-K297 WeakPolarHBondContact O-CA 3.35Å; A293-K297 PolarHBondContact O-N 3.2Å; A293-S298 PolarHBondContact O-N 2.99Å; A293-I300 HydrophobicContact CB-CD1 3.42Å; A293-I300 VanDerWaalsContact CB-CD1 3.42Å; A293-I300 HydrophobicContact CB-CG1 3.66Å; A293-I300 HydrophobicContact CB-CG2 4.06Å
294	T	98.5	Very high	98.3	Very high	95 Å²	95	59.3 Å²	59.3	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-64.4	-47	173.7	-56.7	0	0	0	0	110.5	Q290 D291 S292 T296 K297	Q290-T294 WeakPolarHBondContact O-CB 3.45Å; Q290-T294 PolarHBondContact O-N 3.17Å; Q290-T294 PolarHBondContact O-OG1 2.66Å; D291-T294 WeakPolarHBondContact O-CB 3.48Å; D291-T294 PolarHBondContact O-N 3.26Å; S292-T294 VanDerWaalsContact C-N 3.31Å; S292-T294 PolarHBondContact O-N 3.48Å; T294-T296 PolarHBondContact O-N 3.21Å; T294-K297 PolarHBondContact O-N 3.21Å
295	S	97.5	Very high	98.4	Very high	100 Å²	100	61.7 Å²	61.7	70%	0.699	35%	0.354	S	S	*	.	H	α-helix	trans	-60.6	-43.5	178.7	-175.7	0	0	0	0	112.5	D291 S292 K297	D291-S295 WeakPolarHBondContact O-CB 3.21Å; D291-S295 PolarHBondContact O-N 3.23Å; S292-S295 WeakPolarHBondContact O-CB 3.49Å; S292-S295 PolarHBondContact O-N 2.67Å; S295-K297 VanDerWaalsContact C-N 3.33Å
296	T	97.3	Very high	98.4	Very high	90 Å²	90	61.7 Å²	61.7	55%	0.552	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	3.9	179.9	62.7	0	0	0	0	113.9	S292 T294 S298	S292-T296 PolarHBondContact O-N 3.12Å; S292-T296 PolarHBondContact O-OG1 3.35Å; S292-T296 VanDerWaalsContact O-OG1 3.05Å; T294-T296 PolarHBondContact O-N 3.21Å; T296-S298 PolarHBondContact O-N 3.45Å; T296-S298 PolarHBondContact O-OG 3.28Å; T296-S298 PolarHBondContact OG1-OG 2.94Å
297	K	98.3	Very high	98.4	Very high	189 Å²	189	63 Å²	63	82%	0.822	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38	-177.6	-53.9	179.6	-177.4	179.4	0	113	A293 T294 S295	A293-K297 CarbonylContact O-C 3.47Å; A293-K297 WeakPolarHBondContact O-CA 3.35Å; A293-K297 PolarHBondContact O-N 3.2Å; T294-K297 PolarHBondContact O-N 3.21Å; S295-K297 VanDerWaalsContact C-N 3.33Å
298	S	98.6	Very high	98.5	Very high	55 Å²	55	66.7 Å²	66.7	39%	0.385	37%	0.374	S	S	.	.			trans	-94.6	120.7	-177.4	-56.5	0	0	0	0	110.7	A293 T296 I300	A293-S298 PolarHBondContact O-N 2.99Å; T296-S298 PolarHBondContact O-N 3.45Å; T296-S298 PolarHBondContact O-OG 3.28Å; T296-S298 PolarHBondContact OG1-OG 2.94Å; S298-I300 PolarHBondContact O-N 3.49Å
299	P	98.5	Very high	98.5	Very high	125 Å²	125	66.6 Å²	66.6	81%	0.812	37%	0.373	S	S	*	.			trans	-73.9	117.2	-179.5	28.8	-33.4	0	0	0	111.1
300	I	98.7	Very high	98.5	Very high	31 Å²	31	66.3 Å²	66.3	16%	0.159	37%	0.371	C	S	.	.			trans	-124	53.3	-176.5	55.4	157.9	0	0	0	112.3	M214 A293 S298 L302 G303 S304	M214-I300 HydrophobicContact CE-CG2 4.15Å; M214-I300 HydrophobicContact SD-CB 4.22Å; M214-I300 HydrophobicContact SD-CD1 4.06Å; M214-I300 HydrophobicContact SD-CG2 4.04Å; A293-I300 HydrophobicContact CB-CD1 3.42Å; A293-I300 VanDerWaalsContact CB-CD1 3.42Å; A293-I300 HydrophobicContact CB-CG1 3.66Å; A293-I300 HydrophobicContact CB-CG2 4.06Å; S298-I300 PolarHBondContact O-N 3.49Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-L302 PolarHBondContact O-N 3.39Å; I300-L302 VanDerWaalsContact O-N 3.13Å; I300-G303 CarbonylContact O-C 3.37Å; I300-G303 WeakPolarHBondContact O-CA 3.21Å; I300-G303 PolarHBondContact O-N 3.06Å; I300-S304 PolarHBondContact O-N 3.37Å
301	L	98.8	Very high	98.5	Very high	152 Å²	152	70.3 Å²	70.3	80%	0.796	38%	0.384	S	S	*	.	H	α-helix	trans	-43.3	-52.9	-173.8	-65.6	171.4	0	0	0	114.1	L305	L301-L305 PolarHBondContact O-N 3.43Å
302	L	98.8	Very high	98.5	Very high	114 Å²	114	70 Å²	70	60%	0.597	38%	0.381	S	S	*	.	H	α-helix	trans	-72.8	-34.9	179.4	-59	-175.7	0	0	0	112.8	I218 I300 L305 A306	I218-L302 HydrophobicContact CD1-CB 4.04Å; I218-L302 HydrophobicContact CG1-CB 4.12Å; I218-L302 HydrophobicContact CG2-CB 4.16Å; I218-L302 HydrophobicContact CG2-CD1 4.17Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-L302 PolarHBondContact O-N 3.39Å; I300-L302 VanDerWaalsContact O-N 3.13Å; L302-L305 PolarHBondContact O-N 3.39Å; L302-A306 WeakPolarHBondContact O-CB 3.42Å; L302-A306 PolarHBondContact O-N 2.94Å
303	G	98.8	Very high	98.5	Very high	3 Å²	3	68.7 Å²	68.7	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-41.2	176	0	0	0	0	0	112	I300 A306 H307	I300-G303 CarbonylContact O-C 3.37Å; I300-G303 WeakPolarHBondContact O-CA 3.21Å; I300-G303 PolarHBondContact O-N 3.06Å; G303-A306 PolarHBondContact O-N 2.67Å; G303-H307 PolarHBondContact O-N 2.79Å
304	S	98.8	Very high	98.5	Very high	32 Å²	32	69 Å²	69	22%	0.224	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-45.4	173.9	-73.1	0	0	0	0	111.9	Q290 I300 H307 Q308	Q290-S304 PolarHBondContact NE2-OG 3.18Å; Q290-S304 VanDerWaalsContact NE2-OG 3.17Å; Q290-S304 VanDerWaalsContact OE1-CA 3.29Å; Q290-S304 VanDerWaalsContact OE1-CB 3.3Å; Q290-S304 PolarHBondContact OE1-OG 2.99Å; I300-S304 PolarHBondContact O-N 3.37Å; S304-H307 WeakPolarHBondContact O-CB 3.34Å; S304-H307 PolarHBondContact O-N 3.03Å; S304-Q308 WeakPolarHBondContact O-CG 3.44Å; S304-Q308 PolarHBondContact O-N 2.98Å
305	L	98.8	Very high	98.5	Very high	99 Å²	99	68.4 Å²	68.4	52%	0.518	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-43	176.4	-172.6	60.2	0	0	0	111.6	L301 L302 H307 Q308 I309	L301-L305 PolarHBondContact O-N 3.43Å; L302-L305 PolarHBondContact O-N 3.39Å; L305-H307 VanDerWaalsContact C-N 3.33Å; L305-H307 PolarHBondContact O-N 3.29Å; L305-Q308 PolarHBondContact O-N 2.88Å; L305-Q308 VanDerWaalsContact O-N 3.16Å; L305-I309 HydrophobicContact CG-CD1 4Å; L305-I309 WeakPolarHBondContact O-CG1 3.31Å; L305-I309 PolarHBondContact O-N 3.39Å
306	A	98.9	Very high	98.5	Very high	3 Å²	3	70.1 Å²	70.1	3%	0.025	37%	0.373	C	S	.	.	H	α-helix	trans	-58.3	-44.3	175.2	0	0	0	0	0	111.9	A217 I218 I221 L302 G303 Q308 I309 Y310	A217-A306 HydrophobicContact CB-CB 4.18Å; I218-A306 HydrophobicContact CG1-CB 4.16Å; I221-A306 HydrophobicContact CD1-CB 3.59Å; L302-A306 WeakPolarHBondContact O-CB 3.42Å; L302-A306 PolarHBondContact O-N 2.94Å; G303-A306 PolarHBondContact O-N 2.67Å; A306-Q308 PolarHBondContact O-N 3.03Å; A306-I309 PolarHBondContact O-N 3.49Å; A306-Y310 WeakPolarHBondContact O-CD2 3.43Å; A306-Y310 PolarHBondContact O-N 3.3Å; A306-Y310 VanDerWaalsContact O-N 3.08Å
307	H	98.8	Very high	98.4	Very high	29 Å²	29	68.8 Å²	68.8	13%	0.134	38%	0.377	C	S	.	.	H	α-helix	trans	-56.4	-49.4	173.9	179.5	-160.7	0	0	0	111.2	L286 Q290 G303 S304 L305 I309 Y310 R311	L286-H307 HydrophobicContact CB-CB 3.82Å; Q290-H307 WeakPolarHBondContact CB-ND1 3.44Å; G303-H307 PolarHBondContact O-N 2.79Å; S304-H307 WeakPolarHBondContact O-CB 3.34Å; S304-H307 PolarHBondContact O-N 3.03Å; L305-H307 VanDerWaalsContact C-N 3.33Å; L305-H307 PolarHBondContact O-N 3.29Å; H307-I309 PolarHBondContact O-N 3.42Å; H307-Y310 PolarHBondContact O-N 2.86Å; H307-R311 WeakPolarHBondContact O-CB 3.36Å; H307-R311 PolarHBondContact O-N 3.22Å
308	Q	98.8	Very high	98.4	Very high	91 Å²	91	60.9 Å²	60.9	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-37.9	-179.3	-59.4	-37.7	-60.8	0	0	112.6	S304 L305 A306 R311 M312	S304-Q308 WeakPolarHBondContact O-CG 3.44Å; S304-Q308 PolarHBondContact O-N 2.98Å; L305-Q308 PolarHBondContact O-N 2.88Å; L305-Q308 VanDerWaalsContact O-N 3.16Å; A306-Q308 PolarHBondContact O-N 3.03Å; Q308-R311 WeakPolarHBondContact O-CB 3.18Å; Q308-R311 PolarHBondContact O-N 3.42Å; Q308-M312 WeakPolarHBondContact O-CG 3.47Å; Q308-M312 PolarHBondContact O-N 3.19Å
309	I	98.8	Very high	98.4	Very high	14 Å²	14	60.2 Å²	60.2	7%	0.072	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-51.1	175.9	-71.5	165.5	0	0	0	110.7	I221 L305 A306 H307 R311 M312 M313 V326 F329	I221-I309 HydrophobicContact CD1-CB 4.13Å; I221-I309 HydrophobicContact CD1-CD1 3.99Å; I221-I309 HydrophobicContact CD1-CG2 4.08Å; I221-I309 HydrophobicContact CG2-CD1 4.05Å; L305-I309 HydrophobicContact CG-CD1 4Å; L305-I309 WeakPolarHBondContact O-CG1 3.31Å; L305-I309 PolarHBondContact O-N 3.39Å; A306-I309 PolarHBondContact O-N 3.49Å; H307-I309 PolarHBondContact O-N 3.42Å; I309-R311 VanDerWaalsContact C-N 3.27Å; I309-R311 PolarHBondContact O-N 3.14Å; I309-M312 HydrophobicContact CG1-CE 4.11Å; I309-M312 WeakPolarHBondContact O-CB 3.34Å; I309-M312 PolarHBondContact O-N 3.01Å; I309-M312 VanDerWaalsContact O-N 3.16Å; I309-M313 HydrophobicContact CG2-SD 4.22Å; I309-M313 WeakPolarHBondContact O-CG 3.4Å; I309-M313 PolarHBondContact O-N 3.35Å; I309-V326 HydrophobicContact CG2-CG2 3.75Å; I309-F329 HydrophobicContact CG2-CD1 4.46Å; I309-F329 HydrophobicContact CG2-CE1 4.4Å
310	Y	98.8	Very high	98.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-29.2	178.7	-80.5	-66.2	0	0	0	112.9	A217 I221 T279 M282 L286 A306 H307 M313 C314 F323 V326	A217-Y310 HydrophobicContact CB-CD2 4.34Å; A217-Y310 HydrophobicContact CB-CE2 3.88Å; I221-Y310 HydrophobicContact CD1-CD2 4.12Å; I221-Y310 HydrophobicContact CD1-CE2 3.74Å; I221-Y310 HydrophobicContact CG1-CE2 4.01Å; T279-Y310 HydrophobicContact CG2-CD1 3.94Å; M282-Y310 HydrophobicContact CB-CD1 4.45Å; M282-Y310 HydrophobicContact CG-CD1 4.07Å; M282-Y310 HydrophobicContact CG-CD2 3.78Å; M282-Y310 HydrophobicContact CG-CE1 4.11Å; M282-Y310 HydrophobicContact CG-CE2 3.81Å; M282-Y310 HydrophobicContact CG-CG 3.91Å; L286-Y310 HydrophobicContact CD1-CD2 3.43Å; L286-Y310 VanDerWaalsContact CD1-CD2 3.43Å; L286-Y310 HydrophobicContact CD1-CE2 4.24Å; L286-Y310 HydrophobicContact CD1-CG 4.12Å; A306-Y310 WeakPolarHBondContact O-CD2 3.43Å; A306-Y310 PolarHBondContact O-N 3.3Å; A306-Y310 VanDerWaalsContact O-N 3.08Å; H307-Y310 PolarHBondContact O-N 2.86Å; Y310-M313 HydrophobicContact CD1-CE 4.19Å; Y310-M313 HydrophobicContact CD1-SD 3.6Å; Y310-M313 VanDerWaalsContact CD1-SD 3.6Å; Y310-M313 HydrophobicContact CE1-CE 4.03Å; Y310-M313 HydrophobicContact CE1-SD 3.74Å; Y310-M313 HydrophobicContact CG-SD 4.42Å; Y310-C314 PolarHBondContact O-N 2.98Å; Y310-C314 PolarHBondContact O-SG 2.93Å; Y310-F323 HydrophobicContact CE1-CB 3.76Å; Y310-F323 VanDerWaalsContact CE1-O 3.23Å; Y310-F323 WeakPolarHBondContact CE1-O 3.22Å; Y310-F323 WeakPolarHBondContact OH-CD2 3.44Å; Y310-F323 PolarHBondContact OH-O 2.87Å; Y310-V326 HydrophobicContact CE1-CB 4.29Å
311	R	98.6	Very high	98.1	Very high	122 Å²	122	63.4 Å²	63.4	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-44.1	171.1	-169.1	66.2	-105	146.3	-8.8	111.8	H307 Q308 I309 C314 A315	H307-R311 WeakPolarHBondContact O-CB 3.36Å; H307-R311 PolarHBondContact O-N 3.22Å; Q308-R311 WeakPolarHBondContact O-CB 3.18Å; Q308-R311 PolarHBondContact O-N 3.42Å; I309-R311 VanDerWaalsContact C-N 3.27Å; I309-R311 PolarHBondContact O-N 3.14Å; R311-C314 WeakPolarHBondContact O-CB 3.33Å; R311-C314 PolarHBondContact O-N 3.28Å; R311-A315 PolarHBondContact O-N 2.72Å
312	M	98.5	Very high	98	Very high	89 Å²	89	56.2 Å²	56.2	44%	0.438	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-44.9	174.2	-72	-171.7	-69.6	0	0	111.6	Q308 I309 C314 A315 K316 F329	Q308-M312 WeakPolarHBondContact O-CG 3.47Å; Q308-M312 PolarHBondContact O-N 3.19Å; I309-M312 HydrophobicContact CG1-CE 4.11Å; I309-M312 WeakPolarHBondContact O-CB 3.34Å; I309-M312 PolarHBondContact O-N 3.01Å; I309-M312 VanDerWaalsContact O-N 3.16Å; M312-C314 VanDerWaalsContact C-N 3.33Å; M312-C314 PolarHBondContact O-N 3.22Å; M312-A315 PolarHBondContact O-N 2.93Å; M312-A315 VanDerWaalsContact O-N 3.07Å; M312-K316 WeakPolarHBondContact O-CG 3.28Å; M312-K316 PolarHBondContact O-N 3.43Å; M312-K316 VanDerWaalsContact O-N 3.15Å; M312-F329 HydrophobicContact CB-CZ 4.34Å
313	M	98.4	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-44.9	175.9	-73.2	175.2	67.8	0	0	111.9	T279 I309 Y310 A315 K316 Y318 S325 V326 F329	T279-M313 HydrophobicContact CG2-CB 3.86Å; T279-M313 HydrophobicContact CG2-CE 4.21Å; I309-M313 HydrophobicContact CG2-SD 4.22Å; I309-M313 WeakPolarHBondContact O-CG 3.4Å; I309-M313 PolarHBondContact O-N 3.35Å; Y310-M313 HydrophobicContact CD1-CE 4.19Å; Y310-M313 HydrophobicContact CD1-SD 3.6Å; Y310-M313 VanDerWaalsContact CD1-SD 3.6Å; Y310-M313 HydrophobicContact CE1-CE 4.03Å; Y310-M313 HydrophobicContact CE1-SD 3.74Å; Y310-M313 HydrophobicContact CG-SD 4.42Å; M313-A315 PolarHBondContact O-N 3.03Å; M313-K316 PolarHBondContact O-N 2.99Å; M313-Y318 HydrophobicContact CB-CG 4.39Å; M313-Y318 HydrophobicContact CE-CD1 4.24Å; M313-Y318 HydrophobicContact CE-CG 4.27Å; M313-Y318 WeakPolarHBondContact O-CB 3.41Å; M313-Y318 PolarHBondContact O-N 3.34Å; M313-Y318 VanDerWaalsContact O-N 3.13Å; M313-S325 WeakPolarHBondContact CE-OG 3.47Å; M313-V326 VanDerWaalsContact CE-CA 3.47Å; M313-V326 HydrophobicContact CE-CB 3.85Å; M313-V326 HydrophobicContact CE-CG2 4.47Å; M313-V326 VanDerWaalsContact CE-N 3.28Å; M313-V326 HydrophobicContact SD-CB 3.61Å; M313-V326 HydrophobicContact SD-CG2 3.61Å; M313-F329 HydrophobicContact CE-CB 4.44Å; M313-F329 HydrophobicContact CG-CB 4.03Å; M313-F329 HydrophobicContact CG-CD1 3.68Å; M313-F329 HydrophobicContact CG-CD2 4.19Å; M313-F329 HydrophobicContact CG-CE1 4.19Å; M313-F329 HydrophobicContact CG-CG 3.68Å; M313-F329 HydrophobicContact SD-CB 4.39Å; M313-F329 HydrophobicContact SD-CD1 4.31Å; M313-F329 HydrophobicContact SD-CG 4.49Å
314	C	98.1	Very high	98	Very high	15 Å²	15	50.8 Å²	50.8	10%	0.101	27%	0.271	C	S	.	.	I	π-helix	trans	-55.4	-37.7	175.8	-72.8	0	0	0	0	112.6	Y310 R311 M312 K316	Y310-C314 PolarHBondContact O-N 2.98Å; Y310-C314 PolarHBondContact O-SG 2.93Å; R311-C314 WeakPolarHBondContact O-CB 3.33Å; R311-C314 PolarHBondContact O-N 3.28Å; M312-C314 VanDerWaalsContact C-N 3.33Å; M312-C314 PolarHBondContact O-N 3.22Å; C314-K316 VanDerWaalsContact C-N 3.34Å
315	A	98	Very high	97.9	Very high	83 Å²	83	49.3 Å²	49.3	69%	0.686	26%	0.26	S	S	*	.	I	π-helix	trans	-80.5	-11.2	179.2	0	0	0	0	0	114	R311 M312 M313	R311-A315 PolarHBondContact O-N 2.72Å; M312-A315 PolarHBondContact O-N 2.93Å; M312-A315 VanDerWaalsContact O-N 3.07Å; M313-A315 PolarHBondContact O-N 3.03Å
316	K	97.3	Very high	97.9	Very high	136 Å²	136	44.6 Å²	44.6	59%	0.591	24%	0.236	S	C	*	.	I	π-helix	trans	-113.3	29	-175.3	-70.4	178.2	173.9	-74.1	0	113.3	M312 M313 C314 Y318 F329	M312-K316 WeakPolarHBondContact O-CG 3.28Å; M312-K316 PolarHBondContact O-N 3.43Å; M312-K316 VanDerWaalsContact O-N 3.15Å; M313-K316 PolarHBondContact O-N 2.99Å; C314-K316 VanDerWaalsContact C-N 3.34Å; K316-Y318 HydrophobicContact CB-CD2 4.26Å; K316-Y318 HydrophobicContact CB-CE2 4.5Å; K316-Y318 VanDerWaalsContact O-CD2 3.23Å; K316-Y318 WeakPolarHBondContact O-CD2 3.36Å; K316-Y318 WeakPolarHBondContact O-CE2 3.33Å; K316-F329 HydrophobicContact CD-CE2 3.58Å; K316-F329 HydrophobicContact CD-CZ 4.28Å
317	G	96.3	Very high	97.9	Very high	63 Å²	63	44.5 Å²	44.5	65%	0.649	24%	0.235	S	C	*	.	I	π-helix	trans	84.7	4.3	174.3	0	0	0	0	0	115.7
318	Y	97.8	Very high	97.9	Very high	22 Å²	22	46 Å²	46	9%	0.086	24%	0.242	C	C	.	.	I	π-helix	trans	-91.9	-3.4	178.9	-66.4	-95.8	0	0	0	113.7	T279 M313 K316 K320 K321 S325 Q328 F329	T279-Y318 WeakPolarHBondContact CB-O 3.5Å; T279-Y318 PolarHBondContact OG1-O 2.9Å; M313-Y318 HydrophobicContact CB-CG 4.39Å; M313-Y318 HydrophobicContact CE-CD1 4.24Å; M313-Y318 HydrophobicContact CE-CG 4.27Å; M313-Y318 WeakPolarHBondContact O-CB 3.41Å; M313-Y318 PolarHBondContact O-N 3.34Å; M313-Y318 VanDerWaalsContact O-N 3.13Å; K316-Y318 HydrophobicContact CB-CD2 4.26Å; K316-Y318 HydrophobicContact CB-CE2 4.5Å; K316-Y318 VanDerWaalsContact O-CD2 3.23Å; K316-Y318 WeakPolarHBondContact O-CD2 3.36Å; K316-Y318 WeakPolarHBondContact O-CE2 3.33Å; Y318-K320 PolarHBondContact O-N 3.09Å; Y318-K321 HydrophobicContact CD1-CD 3.66Å; Y318-K321 HydrophobicContact CE1-CD 4.13Å; Y318-K321 HydrophobicContact CG-CD 4.42Å; Y318-K321 WeakPolarHBondContact O-CB 3.39Å; Y318-K321 PolarHBondContact O-N 3.34Å; Y318-S325 WeakPolarHBondContact CD1-OG 3.3Å; Y318-Q328 HydrophobicContact CE1-CB 4.06Å; Y318-Q328 HydrophobicContact CE1-CG 3.93Å; Y318-F329 HydrophobicContact CD2-CD2 4.47Å; Y318-F329 HydrophobicContact CE1-CB 4.29Å; Y318-F329 HydrophobicContact CE2-CB 4.3Å; Y318-F329 HydrophobicContact CE2-CD2 4.02Å
319	S	97.4	Very high	97.8	Very high	41 Å²	41	44.1 Å²	44.1	29%	0.287	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.3	-172.5	62.3	0	0	0	0	114.7	T280	T280-S319 PolarHBondContact N-O 3.38Å; T280-S319 VanDerWaalsContact N-O 3.14Å; T280-S319 WeakPolarHBondContact OG1-CB 3.43Å; T280-S319 PolarHBondContact OG1-O 3.24Å
320	K	96	Very high	97.7	Very high	188 Å²	188	45.8 Å²	45.8	82%	0.817	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9	178.6	-66.4	-172.8	176.9	-178.3	0	114.4	Y318	Y318-K320 PolarHBondContact O-N 3.09Å
321	K	96.5	Very high	97.4	Very high	36 Å²	36	52.1 Å²	52.1	16%	0.157	27%	0.265	C	S	.	.	S	Bend	trans	-81.2	152.3	175.6	-75.2	173.8	166.7	-88.8	0	110.2	N272 Y273 T279 Y318	N272-K321 PolarHBondContact O-NZ 2.92Å; N272-K321 PolarHBondContact OD1-NZ 3.37Å; Y273-K321 WeakPolarHBondContact O-CA 3.18Å; T279-K321 WeakPolarHBondContact CB-O 3.43Å; T279-K321 PolarHBondContact N-O 3.23Å; T279-K321 PolarHBondContact OG1-O 3.15Å; Y318-K321 HydrophobicContact CD1-CD 3.66Å; Y318-K321 HydrophobicContact CE1-CD 4.13Å; Y318-K321 HydrophobicContact CG-CD 4.42Å; Y318-K321 WeakPolarHBondContact O-CB 3.39Å; Y318-K321 PolarHBondContact O-N 3.34Å
322	D	96.7	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-55.2	145	170.4	179.7	-96.7	0	0	0	111.6	Y257 P268 Y273 G276 F277 S324 S325	Y257-D322 WeakPolarHBondContact CE1-OD1 3.23Å; Y257-D322 PolarHBondContact OH-OD2 3.29Å; P268-D322 HydrophobicContact CB-CB 3.55Å; P268-D322 HydrophobicContact CG-CB 3.89Å; Y273-D322 PolarHBondContact O-N 3.39Å; G276-D322 WeakPolarHBondContact CA-OD2 3.27Å; F277-D322 PolarHBondContact N-OD2 3.45Å; F277-D322 WeakPolarHBondContact O-CA 3.16Å; D322-S324 PolarHBondContact O-N 3.22Å; D322-S324 VanDerWaalsContact O-N 3.14Å; D322-S324 WeakPolarHBondContact OD1-CB 3.35Å; D322-S324 PolarHBondContact OD1-N 3.23Å; D322-S324 PolarHBondContact OD1-OG 3.01Å; D322-S325 WeakPolarHBondContact O-CB 3.43Å; D322-S325 PolarHBondContact O-N 2.8Å; D322-S325 PolarHBondContact O-OG 2.92Å
323	F	97.7	Very high	94.1	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-60.8	-20.6	-176.8	80.6	-70.8	0	0	0	114.4	L216 M220 W252 Y257 F277 M282 Y310 S325 V326	L216-F323 HydrophobicContact CD1-CE2 3.98Å; L216-F323 HydrophobicContact CD1-CZ 4Å; L216-F323 HydrophobicContact CD2-CE2 4.1Å; L216-F323 HydrophobicContact CD2-CZ 3.99Å; L216-F323 HydrophobicContact CG-CE2 3.85Å; L216-F323 HydrophobicContact CG-CZ 4.11Å; M220-F323 HydrophobicContact CB-CD2 4.26Å; M220-F323 HydrophobicContact CB-CE2 3.78Å; M220-F323 HydrophobicContact CE-CE1 4.48Å; M220-F323 HydrophobicContact CE-CE2 3.61Å; M220-F323 HydrophobicContact CE-CZ 3.57Å; M220-F323 HydrophobicContact CG-CD2 3.9Å; M220-F323 HydrophobicContact CG-CE2 3.62Å; M220-F323 HydrophobicContact SD-CE2 4.45Å; W252-F323 HydrophobicContact CZ3-CZ 4.09Å; Y257-F323 HydrophobicContact CD1-CE1 4.02Å; Y257-F323 HydrophobicContact CD1-CZ 4.24Å; Y257-F323 AromaticContact CE1-CE1 3.76Å; Y257-F323 HydrophobicContact CE1-CE1 3.76Å; Y257-F323 HydrophobicContact CE1-CZ 4.43Å; F277-F323 HydrophobicContact CB-CD1 3.93Å; F277-F323 HydrophobicContact CB-CE1 4.24Å; F277-F323 HydrophobicContact CD1-CD1 4.01Å; F277-F323 HydrophobicContact CD1-CE1 4.49Å; F277-F323 HydrophobicContact CD1-CG 4.3Å; F277-F323 HydrophobicContact CG-CD1 4.48Å; F277-F323 WeakPolarHBondContact O-CD1 3.37Å; F277-F323 PolarHBondContact O-N 2.85Å; M282-F323 HydrophobicContact CB-CB 3.86Å; M282-F323 HydrophobicContact CE-CB 4.33Å; M282-F323 HydrophobicContact CE-CD2 3.37Å; M282-F323 HydrophobicContact CE-CE2 3.74Å; M282-F323 HydrophobicContact CE-CG 3.83Å; M282-F323 HydrophobicContact CE-CZ 4.46Å; M282-F323 HydrophobicContact CG-CB 4.09Å; M282-F323 HydrophobicContact CG-CD2 4.46Å; Y310-F323 HydrophobicContact CE1-CB 3.76Å; Y310-F323 VanDerWaalsContact CE1-O 3.23Å; Y310-F323 WeakPolarHBondContact CE1-O 3.22Å; Y310-F323 WeakPolarHBondContact OH-CD2 3.44Å; Y310-F323 PolarHBondContact OH-O 2.87Å; F323-S325 PolarHBondContact O-N 3.29Å; F323-V326 PolarHBondContact O-N 2.74Å
324	S	98.1	Very high	91.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.007	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-67.4	-12.6	172	66.3	0	0	0	0	113.1	P259 Y273 D322 V326 F327	P259-S324 VanDerWaalsContact CB-O 3.3Å; P259-S324 WeakPolarHBondContact CB-O 3.21Å; Y273-S324 WeakPolarHBondContact CD1-OG 3.44Å; Y273-S324 WeakPolarHBondContact CE1-O 3.47Å; D322-S324 PolarHBondContact O-N 3.22Å; D322-S324 VanDerWaalsContact O-N 3.14Å; D322-S324 WeakPolarHBondContact OD1-CB 3.35Å; D322-S324 PolarHBondContact OD1-N 3.23Å; D322-S324 PolarHBondContact OD1-OG 3.01Å; S324-V326 PolarHBondContact O-N 3.47Å; S324-F327 PolarHBondContact O-N 3.21Å
325	S	98.4	Very high	89	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-63.1	-3.5	172.2	64.4	0	0	0	0	114.2	Y273 M313 Y318 D322 F323 F327 Q328 F329	Y273-S325 VanDerWaalsContact CD1-CA 3.45Å; M313-S325 WeakPolarHBondContact CE-OG 3.47Å; Y318-S325 WeakPolarHBondContact CD1-OG 3.3Å; D322-S325 WeakPolarHBondContact O-CB 3.43Å; D322-S325 PolarHBondContact O-N 2.8Å; D322-S325 PolarHBondContact O-OG 2.92Å; F323-S325 PolarHBondContact O-N 3.29Å; S325-F327 PolarHBondContact O-N 2.94Å; S325-Q328 WeakPolarHBondContact O-CA 3.44Å; S325-Q328 WeakPolarHBondContact O-CB 3.43Å; S325-Q328 PolarHBondContact O-N 3.37Å; S325-F329 PolarHBondContact O-N 3.31Å
326	V	98.6	Very high	86.1	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.6	-29.6	170.4	69.8	0	0	0	0	112.1	M220 I221 A224 I309 Y310 M313 F323 S324 F329 L330	M220-V326 HydrophobicContact CG-CG1 4.03Å; I221-V326 HydrophobicContact CG1-CG1 4.28Å; I221-V326 HydrophobicContact CG1-CG2 3.96Å; A224-V326 HydrophobicContact CB-CG1 3.92Å; I309-V326 HydrophobicContact CG2-CG2 3.75Å; Y310-V326 HydrophobicContact CE1-CB 4.29Å; M313-V326 VanDerWaalsContact CE-CA 3.47Å; M313-V326 HydrophobicContact CE-CB 3.85Å; M313-V326 HydrophobicContact CE-CG2 4.47Å; M313-V326 VanDerWaalsContact CE-N 3.28Å; M313-V326 HydrophobicContact SD-CB 3.61Å; M313-V326 HydrophobicContact SD-CG2 3.61Å; F323-V326 PolarHBondContact O-N 2.74Å; S324-V326 PolarHBondContact O-N 3.47Å; V326-F329 WeakPolarHBondContact O-CB 3.47Å; V326-F329 PolarHBondContact O-N 3.29Å; V326-L330 HydrophobicContact CG2-CD1 4.31Å; V326-L330 HydrophobicContact CG2-CG 4.37Å; V326-L330 WeakPolarHBondContact O-CB 3.45Å; V326-L330 VanDerWaalsContact O-CG 3.24Å; V326-L330 WeakPolarHBondContact O-CG 2.88Å; V326-L330 PolarHBondContact O-N 3.46Å
327	F	98.6	Very high	85.5	Confident	1 Å²	1	74.7 Å²	74.7	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-43.2	169.5	175.6	-101.3	0	0	0	112.6	A224 M227 N228 I231 P259 V260 S324 S325 F329 L330 R331	A224-F327 HydrophobicContact CB-CB 3.79Å; A224-F327 HydrophobicContact CB-CD2 4.28Å; M227-F327 HydrophobicContact CB-CE2 4.2Å; N228-F327 HydrophobicContact CB-CD2 4.35Å; N228-F327 HydrophobicContact CB-CE2 4Å; I231-F327 HydrophobicContact CD1-CE2 4.08Å; I231-F327 HydrophobicContact CD1-CZ 3.72Å; P259-F327 HydrophobicContact CB-CB 3.75Å; P259-F327 HydrophobicContact CG-CB 4.22Å; V260-F327 HydrophobicContact CB-CE1 4.1Å; V260-F327 HydrophobicContact CB-CZ 4.13Å; V260-F327 HydrophobicContact CG1-CE1 3.83Å; V260-F327 HydrophobicContact CG1-CZ 3.76Å; V260-F327 HydrophobicContact CG2-CD1 4.16Å; V260-F327 HydrophobicContact CG2-CD2 3.86Å; V260-F327 HydrophobicContact CG2-CE1 3.88Å; V260-F327 HydrophobicContact CG2-CE2 3.58Å; V260-F327 HydrophobicContact CG2-CG 4.13Å; V260-F327 HydrophobicContact CG2-CZ 3.56Å; S324-F327 PolarHBondContact O-N 3.21Å; S325-F327 PolarHBondContact O-N 2.94Å; F327-F329 VanDerWaalsContact C-N 3.29Å; F327-F329 PolarHBondContact O-N 3.25Å; F327-L330 PolarHBondContact O-N 2.96Å; F327-R331 HydrophobicContact CD1-CG 4.45Å; F327-R331 HydrophobicContact CE1-CG 4.08Å; F327-R331 HydrophobicContact CE2-CG 4.19Å; F327-R331 HydrophobicContact CZ-CG 3.95Å; F327-R331 WeakPolarHBondContact O-CG 3.33Å; F327-R331 PolarHBondContact O-N 3.25Å
328	Q	97.9	Very high	84.9	Confident	61 Å²	61	75.3 Å²	75.3	29%	0.285	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-38.6	174	-178.8	176	41.1	0	0	111.2	Y273 Y318 S325 R331	Y273-Q328 HydrophobicContact CD2-CB 4.41Å; Y273-Q328 HydrophobicContact CE2-CB 3.7Å; Y273-Q328 HydrophobicContact CE2-CG 4.39Å; Y318-Q328 HydrophobicContact CE1-CB 4.06Å; Y318-Q328 HydrophobicContact CE1-CG 3.93Å; S325-Q328 WeakPolarHBondContact O-CA 3.44Å; S325-Q328 WeakPolarHBondContact O-CB 3.43Å; S325-Q328 PolarHBondContact O-N 3.37Å; Q328-R331 PolarHBondContact O-N 3.39Å
329	F	97.8	Very high	84.2	Confident	52 Å²	52	78.3 Å²	78.3	23%	0.228	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-36	176	175.4	-112.7	0	0	0	113.5	I309 M312 M313 K316 Y318 S325 V326 F327	I309-F329 HydrophobicContact CG2-CD1 4.46Å; I309-F329 HydrophobicContact CG2-CE1 4.4Å; M312-F329 HydrophobicContact CB-CZ 4.34Å; M313-F329 HydrophobicContact CE-CB 4.44Å; M313-F329 HydrophobicContact CG-CB 4.03Å; M313-F329 HydrophobicContact CG-CD1 3.68Å; M313-F329 HydrophobicContact CG-CD2 4.19Å; M313-F329 HydrophobicContact CG-CE1 4.19Å; M313-F329 HydrophobicContact CG-CG 3.68Å; M313-F329 HydrophobicContact SD-CB 4.39Å; M313-F329 HydrophobicContact SD-CD1 4.31Å; M313-F329 HydrophobicContact SD-CG 4.49Å; K316-F329 HydrophobicContact CD-CE2 3.58Å; K316-F329 HydrophobicContact CD-CZ 4.28Å; Y318-F329 HydrophobicContact CD2-CD2 4.47Å; Y318-F329 HydrophobicContact CE1-CB 4.29Å; Y318-F329 HydrophobicContact CE2-CB 4.3Å; Y318-F329 HydrophobicContact CE2-CD2 4.02Å; S325-F329 PolarHBondContact O-N 3.31Å; V326-F329 WeakPolarHBondContact O-CB 3.47Å; V326-F329 PolarHBondContact O-N 3.29Å; F327-F329 VanDerWaalsContact C-N 3.29Å; F327-F329 PolarHBondContact O-N 3.25Å
330	L	97	Very high	83.4	Confident	49 Å²	49	80.5 Å²	80.5	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-81.2	-20.7	179.2	-69.9	174.2	0	0	0	113.7	A224 E225 N228 V326 F327 E332	A224-L330 HydrophobicContact CB-CD1 3.92Å; E225-L330 HydrophobicContact CG-CD1 3.73Å; N228-L330 PolarHBondContact ND2-O 3.09Å; V326-L330 HydrophobicContact CG2-CD1 4.31Å; V326-L330 HydrophobicContact CG2-CG 4.37Å; V326-L330 WeakPolarHBondContact O-CB 3.45Å; V326-L330 VanDerWaalsContact O-CG 3.24Å; V326-L330 WeakPolarHBondContact O-CG 2.88Å; V326-L330 PolarHBondContact O-N 3.46Å; F327-L330 PolarHBondContact O-N 2.96Å; L330-E332 PolarHBondContact O-N 2.92Å
331	R	91.9	Very high	82.7	Confident	132 Å²	132	73.8 Å²	73.8	50%	0.498	35%	0.345	S	S	.	.	S	Bend	trans	-74.4	118.2	172	-78.9	-169.1	67.4	-175.6	3	108.5	F327 Q328 E333	F327-R331 HydrophobicContact CD1-CG 4.45Å; F327-R331 HydrophobicContact CE1-CG 4.08Å; F327-R331 HydrophobicContact CE2-CG 4.19Å; F327-R331 HydrophobicContact CZ-CG 3.95Å; F327-R331 WeakPolarHBondContact O-CG 3.33Å; F327-R331 PolarHBondContact O-N 3.25Å; Q328-R331 PolarHBondContact O-N 3.39Å; R331-E333 PolarHBondContact O-N 3.46Å
332	E	63.1	Low	81.7	Confident	138 Å²	138	76.3 Å²	76.3	65%	0.645	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-46.8	125	169.5	-77.2	172.2	156.6	0	0	109.4	R232 L330 E334	R232-E332 IonicContact CZ-OE2 3.26Å; R232-E332 VanDerWaalsContact CZ-OE2 3.26Å; R232-E332 IonicContact NH1-OE2 2.74Å; R232-E332 PolarHBondContact NH1-OE2 2.97Å; R232-E332 IonicContact NH2-OE1 3.98Å; R232-E332 IonicContact NH2-OE2 2.92Å; R232-E332 PolarHBondContact NH2-OE2 3.02Å; L330-E332 PolarHBondContact O-N 2.92Å; E332-E334 PolarHBondContact O-N 3.16Å
333	E	64	Low	80.7	Confident	157 Å²	157	81.7 Å²	81.7	73%	0.734	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-63.8	120	161.2	-68	177.8	177.8	0	0	105.9	R331 T335	R331-E333 PolarHBondContact O-N 3.46Å; E333-T335 VanDerWaalsContact C-N 3.26Å; E333-T335 PolarHBondContact O-N 3.19Å
334	E	48.2	Very low	79.4	Confident	170 Å²	170	87.8 Å²	87.8	79%	0.794	41%	0.412	S	S	*	.			trans	-60	95	168.7	-84.6	-179.3	159.6	0	0	108	E332 F336	E332-E334 PolarHBondContact O-N 3.16Å; E334-F336 HydrophobicContact CB-CD2 4.05Å; E334-F336 HydrophobicContact CB-CE2 4.3Å; E334-F336 HydrophobicContact CG-CD2 4.29Å; E334-F336 HydrophobicContact CG-CE2 4.03Å; E334-F336 PolarHBondContact O-N 3.3Å
335	T	42.2	Very low	77.8	Confident	132 Å²	132	95 Å²	95	81%	0.81	45%	0.445	S	S	*	.			trans	-79.4	94	159.2	37.9	0	0	0	0	107.7	E333	E333-T335 VanDerWaalsContact C-N 3.26Å; E333-T335 PolarHBondContact O-N 3.19Å
336	F	36	Very low	75.9	Confident	248 Å²	248	103.6 Å²	103.6	100%	1.088	49%	0.486	S	S	*	.			trans	-109.2	0	156.4	-72.4	-71.4	0	0	0	109.3	E334	E334-F336 HydrophobicContact CB-CD2 4.05Å; E334-F336 HydrophobicContact CB-CE2 4.3Å; E334-F336 HydrophobicContact CG-CD2 4.29Å; E334-F336 HydrophobicContact CG-CE2 4.03Å; E334-F336 PolarHBondContact O-N 3.3Å

Retrieved 336 of 336 residues in 370.8 ms (Link to these results)

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